USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.0815 (180deg=-0.482) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.582) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.00987 X(o=-0.0099,f=0) USER MOD Single : A 45 TYR OH : rot 34:sc= 0.0155 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.575 USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= 0.111 (180deg=-1.8!) USER MOD Single : A 52 GLN : amide:sc= -0.0973 K(o=-0.097,f=-1.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0073 F(o=-0.6,f=-0.0073) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.0608 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.166 F(o=-0.78!,f=-0.17) USER MOD Single : A 82 THR OG1 : rot -85:sc= 0.183! USER MOD Single : A 86 TYR OH : rot 110:sc= 0 USER MOD Single : A 89 GLN : amide:sc=0.000911 X(o=0.00091,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc=-0.00464 X(o=-0.0046,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 136 N TRP A 13 -6.440 -12.682 -0.350 1.00 0.00 N ATOM 137 CA TRP A 13 -6.198 -11.426 -1.052 1.00 0.00 C ATOM 138 C TRP A 13 -4.765 -10.951 -0.839 1.00 0.00 C ATOM 139 O TRP A 13 -4.358 -10.656 0.285 1.00 0.00 O ATOM 140 CB TRP A 13 -7.180 -10.354 -0.575 1.00 0.00 C ATOM 141 CG TRP A 13 -6.932 -9.008 -1.186 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.839 -8.211 -0.998 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.798 -8.302 -2.081 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.973 -7.052 -1.724 1.00 0.00 N ATOM 145 CE2 TRP A 13 -7.166 -7.083 -2.397 1.00 0.00 C ATOM 146 CE3 TRP A 13 -9.044 -8.580 -2.649 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.739 -6.147 -3.253 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.612 -7.650 -3.498 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.960 -6.446 -3.795 1.00 0.00 C ATOM 0 HA TRP A 13 -6.349 -11.599 -2.118 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.196 -10.671 -0.811 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.117 -10.270 0.510 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.994 -8.456 -0.371 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.294 -6.292 -1.757 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.554 -9.506 -2.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.238 -5.218 -3.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.576 -7.855 -3.941 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.430 -5.740 -4.464 1.00 0.00 H new ATOM 160 N HIS A 14 -4.003 -10.879 -1.926 1.00 0.00 N ATOM 161 CA HIS A 14 -2.614 -10.438 -1.858 1.00 0.00 C ATOM 162 C HIS A 14 -2.324 -9.386 -2.924 1.00 0.00 C ATOM 163 O HIS A 14 -2.929 -9.392 -3.997 1.00 0.00 O ATOM 164 CB HIS A 14 -1.670 -11.629 -2.030 1.00 0.00 C ATOM 165 CG HIS A 14 -1.495 -12.052 -3.456 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.413 -12.831 -4.128 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.500 -11.800 -4.339 1.00 0.00 C ATOM 168 CE1 HIS A 14 -1.990 -13.041 -5.362 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.831 -12.425 -5.516 1.00 0.00 N ATOM 0 H HIS A 14 -4.324 -11.120 -2.864 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.449 -9.991 -0.878 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.696 -11.373 -1.613 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.052 -12.472 -1.454 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.389 -11.216 -4.152 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.504 -13.618 -6.117 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.273 -12.415 -6.370 1.00 0.00 H new ATOM 178 N LEU A 15 -1.398 -8.483 -2.621 1.00 0.00 N ATOM 179 CA LEU A 15 -1.029 -7.424 -3.553 1.00 0.00 C ATOM 180 C LEU A 15 0.487 -7.268 -3.629 1.00 0.00 C ATOM 181 O LEU A 15 1.209 -7.682 -2.722 1.00 0.00 O ATOM 182 CB LEU A 15 -1.669 -6.100 -3.131 1.00 0.00 C ATOM 183 CG LEU A 15 -1.951 -5.102 -4.254 1.00 0.00 C ATOM 184 CD1 LEU A 15 -3.225 -5.479 -4.995 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.053 -3.689 -3.699 1.00 0.00 C ATOM 0 H LEU A 15 -0.889 -8.463 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.397 -7.700 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.608 -6.319 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.016 -5.620 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.121 -5.134 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.410 -4.758 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.114 -6.474 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.065 -5.476 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.254 -2.992 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.864 -3.641 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.115 -3.420 -3.214 1.00 0.00 H new ATOM 197 N ALA A 16 0.961 -6.667 -4.715 1.00 0.00 N ATOM 198 CA ALA A 16 2.390 -6.453 -4.906 1.00 0.00 C ATOM 199 C ALA A 16 2.791 -5.036 -4.511 1.00 0.00 C ATOM 200 O ALA A 16 1.993 -4.103 -4.612 1.00 0.00 O ATOM 201 CB ALA A 16 2.776 -6.729 -6.352 1.00 0.00 C ATOM 0 H ALA A 16 0.377 -6.320 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 16 2.926 -7.148 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.846 -6.565 -6.481 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.534 -7.762 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.225 -6.058 -7.010 1.00 0.00 H new ATOM 207 N VAL A 17 4.032 -4.880 -4.060 1.00 0.00 N ATOM 208 CA VAL A 17 4.538 -3.576 -3.649 1.00 0.00 C ATOM 209 C VAL A 17 5.907 -3.301 -4.261 1.00 0.00 C ATOM 210 O VAL A 17 6.840 -4.089 -4.104 1.00 0.00 O ATOM 211 CB VAL A 17 4.643 -3.472 -2.116 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.047 -2.065 -1.703 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.327 -3.870 -1.464 1.00 0.00 C ATOM 0 H VAL A 17 4.705 -5.641 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 17 3.826 -2.833 -4.008 1.00 0.00 H new ATOM 0 HB VAL A 17 5.415 -4.161 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.116 -2.010 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.015 -1.821 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.300 -1.354 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.419 -3.791 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.534 -3.207 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.084 -4.898 -1.733 1.00 0.00 H new ATOM 223 N LYS A 18 6.021 -2.177 -4.960 1.00 0.00 N ATOM 224 CA LYS A 18 7.277 -1.794 -5.595 1.00 0.00 C ATOM 225 C LYS A 18 7.685 -0.382 -5.188 1.00 0.00 C ATOM 226 O LYS A 18 6.846 0.515 -5.093 1.00 0.00 O ATOM 227 CB LYS A 18 7.149 -1.881 -7.118 1.00 0.00 C ATOM 228 CG LYS A 18 7.238 -3.298 -7.656 1.00 0.00 C ATOM 229 CD LYS A 18 8.658 -3.832 -7.589 1.00 0.00 C ATOM 230 CE LYS A 18 9.554 -3.165 -8.621 1.00 0.00 C ATOM 231 NZ LYS A 18 9.082 -3.418 -10.011 1.00 0.00 N ATOM 0 H LYS A 18 5.258 -1.515 -5.101 1.00 0.00 H new ATOM 0 HA LYS A 18 8.050 -2.486 -5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.196 -1.446 -7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.933 -1.278 -7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.577 -3.948 -7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.889 -3.319 -8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.064 -3.665 -6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.651 -4.909 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.583 -2.091 -8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.573 -3.535 -8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.863 -3.255 -10.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.756 -4.402 -10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.297 -2.773 -10.234 1.00 0.00 H new ATOM 245 N LEU A 19 8.978 -0.190 -4.950 1.00 0.00 N ATOM 246 CA LEU A 19 9.497 1.114 -4.554 1.00 0.00 C ATOM 247 C LEU A 19 9.856 1.951 -5.778 1.00 0.00 C ATOM 248 O LEU A 19 10.658 1.535 -6.614 1.00 0.00 O ATOM 249 CB LEU A 19 10.726 0.946 -3.659 1.00 0.00 C ATOM 250 CG LEU A 19 11.133 2.171 -2.839 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.268 2.291 -1.594 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.605 2.096 -2.464 1.00 0.00 C ATOM 0 H LEU A 19 9.686 -0.921 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 19 8.718 1.634 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.540 0.120 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.570 0.657 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 19 10.980 3.061 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.572 3.168 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.223 2.392 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.389 1.399 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.877 2.976 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.784 1.199 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.210 2.060 -3.370 1.00 0.00 H new ATOM 264 N ALA A 20 9.259 3.134 -5.875 1.00 0.00 N ATOM 265 CA ALA A 20 9.519 4.032 -6.994 1.00 0.00 C ATOM 266 C ALA A 20 10.896 4.677 -6.872 1.00 0.00 C ATOM 267 O ALA A 20 11.472 5.123 -7.864 1.00 0.00 O ATOM 268 CB ALA A 20 8.439 5.100 -7.076 1.00 0.00 C ATOM 0 H ALA A 20 8.592 3.493 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 20 9.502 3.443 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.646 5.763 -7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.468 4.626 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.428 5.678 -6.152 1.00 0.00 H new ATOM 274 N ASP A 21 11.416 4.723 -5.650 1.00 0.00 N ATOM 275 CA ASP A 21 12.725 5.313 -5.399 1.00 0.00 C ATOM 276 C ASP A 21 13.839 4.326 -5.732 1.00 0.00 C ATOM 277 O ASP A 21 14.924 4.722 -6.159 1.00 0.00 O ATOM 278 CB ASP A 21 12.838 5.754 -3.939 1.00 0.00 C ATOM 279 CG ASP A 21 11.625 6.538 -3.476 1.00 0.00 C ATOM 280 OD1 ASP A 21 11.416 7.661 -3.981 1.00 0.00 O ATOM 281 OD2 ASP A 21 10.885 6.028 -2.609 1.00 0.00 O ATOM 0 H ASP A 21 10.951 4.359 -4.818 1.00 0.00 H new ATOM 0 HA ASP A 21 12.832 6.185 -6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.963 4.876 -3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.732 6.366 -3.815 1.00 0.00 H new ATOM 286 N GLN A 22 13.564 3.041 -5.533 1.00 0.00 N ATOM 287 CA GLN A 22 14.544 1.998 -5.811 1.00 0.00 C ATOM 288 C GLN A 22 13.952 0.921 -6.713 1.00 0.00 C ATOM 289 O GLN A 22 13.376 -0.064 -6.249 1.00 0.00 O ATOM 290 CB GLN A 22 15.038 1.372 -4.506 1.00 0.00 C ATOM 291 CG GLN A 22 15.805 2.340 -3.619 1.00 0.00 C ATOM 292 CD GLN A 22 16.570 1.639 -2.514 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.463 0.833 -2.776 1.00 0.00 O ATOM 294 NE2 GLN A 22 16.223 1.942 -1.268 1.00 0.00 N ATOM 0 H GLN A 22 12.671 2.697 -5.180 1.00 0.00 H new ATOM 0 HA GLN A 22 15.387 2.456 -6.328 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.183 0.984 -3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.678 0.522 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.502 2.913 -4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.108 3.052 -3.178 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.477 2.616 -1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.703 1.501 -0.483 1.00 0.00 H new ATOM 303 N PRO A 23 14.095 1.109 -8.033 1.00 0.00 N ATOM 304 CA PRO A 23 13.580 0.164 -9.028 1.00 0.00 C ATOM 305 C PRO A 23 14.353 -1.151 -9.033 1.00 0.00 C ATOM 306 O PRO A 23 13.974 -2.103 -9.716 1.00 0.00 O ATOM 307 CB PRO A 23 13.775 0.903 -10.354 1.00 0.00 C ATOM 308 CG PRO A 23 14.894 1.852 -10.098 1.00 0.00 C ATOM 309 CD PRO A 23 14.770 2.260 -8.657 1.00 0.00 C ATOM 0 HA PRO A 23 12.545 -0.115 -8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 23 14.019 0.211 -11.160 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.868 1.431 -10.650 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.858 1.379 -10.288 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.829 2.719 -10.756 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.745 2.446 -8.207 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.188 3.175 -8.547 1.00 0.00 H new ATOM 317 N LEU A 24 15.438 -1.196 -8.268 1.00 0.00 N ATOM 318 CA LEU A 24 16.265 -2.395 -8.183 1.00 0.00 C ATOM 319 C LEU A 24 15.880 -3.238 -6.971 1.00 0.00 C ATOM 320 O LEU A 24 16.018 -4.461 -6.985 1.00 0.00 O ATOM 321 CB LEU A 24 17.744 -2.013 -8.104 1.00 0.00 C ATOM 322 CG LEU A 24 18.264 -1.105 -9.218 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.451 -0.289 -8.732 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.644 -1.925 -10.442 1.00 0.00 C ATOM 0 H LEU A 24 15.766 -0.416 -7.698 1.00 0.00 H new ATOM 0 HA LEU A 24 16.096 -2.987 -9.082 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.920 -1.519 -7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.335 -2.929 -8.103 1.00 0.00 H new ATOM 0 HG LEU A 24 17.467 -0.417 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.807 0.351 -9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.147 0.328 -7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.251 -0.961 -8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.012 -1.261 -11.225 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.424 -2.638 -10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.769 -2.464 -10.805 1.00 0.00 H new ATOM 336 N ALA A 25 15.395 -2.575 -5.926 1.00 0.00 N ATOM 337 CA ALA A 25 14.985 -3.264 -4.709 1.00 0.00 C ATOM 338 C ALA A 25 14.018 -4.401 -5.020 1.00 0.00 C ATOM 339 O ALA A 25 13.251 -4.351 -5.981 1.00 0.00 O ATOM 340 CB ALA A 25 14.352 -2.282 -3.734 1.00 0.00 C ATOM 0 H ALA A 25 15.277 -1.562 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 25 15.874 -3.695 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.051 -2.810 -2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.074 -1.507 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.477 -1.824 -4.195 1.00 0.00 H new ATOM 346 N PRO A 26 14.054 -5.454 -4.189 1.00 0.00 N ATOM 347 CA PRO A 26 13.187 -6.624 -4.355 1.00 0.00 C ATOM 348 C PRO A 26 11.726 -6.310 -4.053 1.00 0.00 C ATOM 349 O PRO A 26 11.422 -5.520 -3.159 1.00 0.00 O ATOM 350 CB PRO A 26 13.741 -7.624 -3.337 1.00 0.00 C ATOM 351 CG PRO A 26 14.398 -6.782 -2.298 1.00 0.00 C ATOM 352 CD PRO A 26 14.944 -5.582 -3.022 1.00 0.00 C ATOM 0 HA PRO A 26 13.192 -6.993 -5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.946 -8.234 -2.908 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.452 -8.308 -3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.685 -6.483 -1.530 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.195 -7.331 -1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.918 -4.689 -2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.981 -5.731 -3.322 1.00 0.00 H new ATOM 360 N LYS A 27 10.824 -6.935 -4.803 1.00 0.00 N ATOM 361 CA LYS A 27 9.394 -6.724 -4.615 1.00 0.00 C ATOM 362 C LYS A 27 8.952 -7.196 -3.234 1.00 0.00 C ATOM 363 O LYS A 27 9.510 -8.145 -2.683 1.00 0.00 O ATOM 364 CB LYS A 27 8.602 -7.463 -5.696 1.00 0.00 C ATOM 365 CG LYS A 27 7.125 -7.112 -5.715 1.00 0.00 C ATOM 366 CD LYS A 27 6.438 -7.655 -6.957 1.00 0.00 C ATOM 367 CE LYS A 27 5.900 -9.059 -6.728 1.00 0.00 C ATOM 368 NZ LYS A 27 6.934 -10.099 -6.990 1.00 0.00 N ATOM 0 H LYS A 27 11.059 -7.592 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 27 9.196 -5.655 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.034 -7.235 -6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.710 -8.537 -5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.643 -7.517 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.007 -6.029 -5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.620 -6.993 -7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.143 -7.665 -7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.546 -9.149 -5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.041 -9.229 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.470 -10.991 -7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.553 -9.786 -7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.502 -10.248 -6.132 1.00 0.00 H new ATOM 382 N SER A 28 7.944 -6.529 -2.679 1.00 0.00 N ATOM 383 CA SER A 28 7.429 -6.879 -1.361 1.00 0.00 C ATOM 384 C SER A 28 5.946 -7.231 -1.434 1.00 0.00 C ATOM 385 O SER A 28 5.115 -6.394 -1.788 1.00 0.00 O ATOM 386 CB SER A 28 7.643 -5.723 -0.382 1.00 0.00 C ATOM 387 OG SER A 28 7.787 -6.198 0.945 1.00 0.00 O ATOM 0 H SER A 28 7.468 -5.743 -3.122 1.00 0.00 H new ATOM 0 HA SER A 28 7.975 -7.752 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.531 -5.160 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.799 -5.036 -0.436 1.00 0.00 H new ATOM 0 HG SER A 28 7.924 -5.440 1.551 1.00 0.00 H new ATOM 393 N ILE A 29 5.622 -8.474 -1.095 1.00 0.00 N ATOM 394 CA ILE A 29 4.240 -8.937 -1.121 1.00 0.00 C ATOM 395 C ILE A 29 3.479 -8.464 0.114 1.00 0.00 C ATOM 396 O ILE A 29 3.927 -8.659 1.245 1.00 0.00 O ATOM 397 CB ILE A 29 4.162 -10.473 -1.201 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.929 -10.981 -2.423 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.711 -10.927 -1.253 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.558 -10.273 -3.707 1.00 0.00 C ATOM 0 H ILE A 29 6.298 -9.179 -0.799 1.00 0.00 H new ATOM 0 HA ILE A 29 3.781 -8.511 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 29 4.622 -10.893 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.998 -10.860 -2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.744 -12.049 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.672 -12.015 -1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.192 -10.591 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.228 -10.501 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.141 -10.685 -4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.496 -10.415 -3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.770 -9.208 -3.610 1.00 0.00 H new ATOM 412 N LEU A 30 2.326 -7.843 -0.111 1.00 0.00 N ATOM 413 CA LEU A 30 1.501 -7.344 0.983 1.00 0.00 C ATOM 414 C LEU A 30 0.192 -8.123 1.078 1.00 0.00 C ATOM 415 O LEU A 30 -0.404 -8.477 0.061 1.00 0.00 O ATOM 416 CB LEU A 30 1.208 -5.855 0.789 1.00 0.00 C ATOM 417 CG LEU A 30 0.861 -5.069 2.053 1.00 0.00 C ATOM 418 CD1 LEU A 30 2.106 -4.837 2.896 1.00 0.00 C ATOM 419 CD2 LEU A 30 0.204 -3.744 1.694 1.00 0.00 C ATOM 0 H LEU A 30 1.942 -7.673 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 30 2.053 -7.482 1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.078 -5.391 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.381 -5.757 0.086 1.00 0.00 H new ATOM 0 HG LEU A 30 0.154 -5.655 2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.840 -4.276 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.535 -5.797 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.837 -4.272 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.036 -3.198 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.888 -3.152 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.711 -3.932 1.132 1.00 0.00 H new ATOM 431 N GLN A 31 -0.248 -8.383 2.304 1.00 0.00 N ATOM 432 CA GLN A 31 -1.487 -9.118 2.531 1.00 0.00 C ATOM 433 C GLN A 31 -2.377 -8.390 3.532 1.00 0.00 C ATOM 434 O GLN A 31 -2.094 -8.369 4.730 1.00 0.00 O ATOM 435 CB GLN A 31 -1.182 -10.530 3.034 1.00 0.00 C ATOM 436 CG GLN A 31 -0.362 -11.360 2.060 1.00 0.00 C ATOM 437 CD GLN A 31 -0.539 -12.851 2.269 1.00 0.00 C ATOM 438 OE1 GLN A 31 -0.020 -13.421 3.229 1.00 0.00 O ATOM 439 NE2 GLN A 31 -1.276 -13.491 1.369 1.00 0.00 N ATOM 0 H GLN A 31 0.234 -8.096 3.156 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.019 -9.185 1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.646 -10.461 3.981 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.121 -11.045 3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.648 -11.104 1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.692 -11.105 2.169 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.687 -12.978 0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.431 -14.495 1.458 1.00 0.00 H new ATOM 448 N LEU A 32 -3.454 -7.793 3.033 1.00 0.00 N ATOM 449 CA LEU A 32 -4.387 -7.062 3.884 1.00 0.00 C ATOM 450 C LEU A 32 -5.168 -8.017 4.781 1.00 0.00 C ATOM 451 O LEU A 32 -5.397 -9.178 4.442 1.00 0.00 O ATOM 452 CB LEU A 32 -5.353 -6.242 3.028 1.00 0.00 C ATOM 453 CG LEU A 32 -6.225 -7.035 2.054 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.490 -7.521 2.744 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.571 -6.188 0.837 1.00 0.00 C ATOM 0 H LEU A 32 -3.703 -7.801 2.044 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.811 -6.387 4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.007 -5.678 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.774 -5.515 2.458 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.662 -7.906 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.098 -8.083 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.223 -8.164 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.057 -6.665 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.192 -6.768 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.115 -5.299 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.654 -5.890 0.329 1.00 0.00 H new ATOM 467 N PRO A 33 -5.589 -7.517 5.952 1.00 0.00 N ATOM 468 CA PRO A 33 -6.354 -8.308 6.921 1.00 0.00 C ATOM 469 C PRO A 33 -7.765 -8.616 6.433 1.00 0.00 C ATOM 470 O PRO A 33 -8.290 -7.932 5.554 1.00 0.00 O ATOM 471 CB PRO A 33 -6.400 -7.407 8.157 1.00 0.00 C ATOM 472 CG PRO A 33 -6.247 -6.025 7.624 1.00 0.00 C ATOM 473 CD PRO A 33 -5.352 -6.142 6.421 1.00 0.00 C ATOM 0 HA PRO A 33 -5.898 -9.281 7.103 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.341 -7.522 8.696 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.600 -7.653 8.856 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.214 -5.603 7.351 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.810 -5.364 8.373 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.607 -5.407 5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.306 -5.981 6.681 1.00 0.00 H new ATOM 598 N LEU A 42 -13.722 -6.827 -2.558 1.00 0.00 N ATOM 599 CA LEU A 42 -13.722 -5.847 -1.477 1.00 0.00 C ATOM 600 C LEU A 42 -14.362 -4.538 -1.929 1.00 0.00 C ATOM 601 O LEU A 42 -15.372 -4.106 -1.375 1.00 0.00 O ATOM 602 CB LEU A 42 -12.292 -5.589 -0.997 1.00 0.00 C ATOM 603 CG LEU A 42 -11.457 -6.830 -0.681 1.00 0.00 C ATOM 604 CD1 LEU A 42 -10.049 -6.434 -0.265 1.00 0.00 C ATOM 605 CD2 LEU A 42 -12.123 -7.659 0.407 1.00 0.00 C ATOM 0 HA LEU A 42 -14.309 -6.252 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.772 -5.011 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.337 -4.968 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.390 -7.438 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.469 -7.330 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.571 -5.884 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.096 -5.804 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.514 -8.538 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.222 -7.060 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.111 -7.974 0.071 1.00 0.00 H new ATOM 617 N GLY A 43 -13.768 -3.912 -2.940 1.00 0.00 N ATOM 618 CA GLY A 43 -14.295 -2.660 -3.450 1.00 0.00 C ATOM 619 C GLY A 43 -14.830 -1.765 -2.350 1.00 0.00 C ATOM 620 O GLY A 43 -15.885 -1.149 -2.499 1.00 0.00 O ATOM 0 H GLY A 43 -12.931 -4.250 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.510 -2.133 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.092 -2.869 -4.164 1.00 0.00 H new ATOM 624 N GLY A 44 -14.101 -1.693 -1.241 1.00 0.00 N ATOM 625 CA GLY A 44 -14.525 -0.866 -0.126 1.00 0.00 C ATOM 626 C GLY A 44 -13.357 -0.228 0.599 1.00 0.00 C ATOM 627 O GLY A 44 -13.469 0.886 1.112 1.00 0.00 O ATOM 0 H GLY A 44 -13.224 -2.193 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.193 -0.085 -0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.097 -1.473 0.576 1.00 0.00 H new ATOM 631 N TYR A 45 -12.233 -0.935 0.645 1.00 0.00 N ATOM 632 CA TYR A 45 -11.041 -0.432 1.317 1.00 0.00 C ATOM 633 C TYR A 45 -10.667 0.954 0.800 1.00 0.00 C ATOM 634 O TYR A 45 -10.753 1.226 -0.397 1.00 0.00 O ATOM 635 CB TYR A 45 -9.871 -1.397 1.115 1.00 0.00 C ATOM 636 CG TYR A 45 -9.831 -2.519 2.127 1.00 0.00 C ATOM 637 CD1 TYR A 45 -10.489 -3.720 1.889 1.00 0.00 C ATOM 638 CD2 TYR A 45 -9.134 -2.380 3.321 1.00 0.00 C ATOM 639 CE1 TYR A 45 -10.455 -4.748 2.812 1.00 0.00 C ATOM 640 CE2 TYR A 45 -9.093 -3.403 4.249 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.756 -4.585 3.990 1.00 0.00 C ATOM 642 OH TYR A 45 -9.719 -5.607 4.910 1.00 0.00 O ATOM 0 H TYR A 45 -12.123 -1.858 0.225 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.261 -0.355 2.382 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.932 -1.824 0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.937 -0.838 1.167 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.036 -3.852 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.615 -1.456 3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.973 -5.674 2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.545 -3.278 5.171 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.722 -6.468 4.442 1.00 0.00 H new ATOM 652 N SER A 46 -10.251 1.826 1.712 1.00 0.00 N ATOM 653 CA SER A 46 -9.866 3.185 1.350 1.00 0.00 C ATOM 654 C SER A 46 -8.372 3.265 1.051 1.00 0.00 C ATOM 655 O SER A 46 -7.546 2.774 1.820 1.00 0.00 O ATOM 656 CB SER A 46 -10.224 4.156 2.477 1.00 0.00 C ATOM 657 OG SER A 46 -11.611 4.449 2.476 1.00 0.00 O ATOM 0 H SER A 46 -10.172 1.616 2.707 1.00 0.00 H new ATOM 0 HA SER A 46 -10.415 3.464 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.941 3.724 3.437 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.654 5.078 2.362 1.00 0.00 H new ATOM 0 HG SER A 46 -11.815 5.070 3.206 1.00 0.00 H new ATOM 663 N ILE A 47 -8.033 3.888 -0.073 1.00 0.00 N ATOM 664 CA ILE A 47 -6.639 4.034 -0.474 1.00 0.00 C ATOM 665 C ILE A 47 -5.750 4.339 0.726 1.00 0.00 C ATOM 666 O ILE A 47 -4.665 3.777 0.866 1.00 0.00 O ATOM 667 CB ILE A 47 -6.469 5.151 -1.522 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.172 4.769 -2.826 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.993 5.424 -1.769 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.620 3.513 -3.464 1.00 0.00 C ATOM 0 H ILE A 47 -8.704 4.299 -0.722 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.336 3.084 -0.914 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.928 6.062 -1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.235 4.630 -2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.084 5.595 -3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.889 6.215 -2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.520 5.735 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.512 4.517 -2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.165 3.302 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.564 3.655 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.733 2.675 -2.776 1.00 0.00 H new ATOM 682 N SER A 48 -6.220 5.232 1.592 1.00 0.00 N ATOM 683 CA SER A 48 -5.466 5.614 2.781 1.00 0.00 C ATOM 684 C SER A 48 -4.941 4.381 3.510 1.00 0.00 C ATOM 685 O SER A 48 -3.753 4.288 3.820 1.00 0.00 O ATOM 686 CB SER A 48 -6.343 6.442 3.722 1.00 0.00 C ATOM 687 OG SER A 48 -7.086 5.607 4.594 1.00 0.00 O ATOM 0 H SER A 48 -7.119 5.704 1.493 1.00 0.00 H new ATOM 0 HA SER A 48 -4.615 6.217 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.718 7.118 4.306 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.024 7.061 3.138 1.00 0.00 H new ATOM 0 HG SER A 48 -7.637 6.160 5.186 1.00 0.00 H new ATOM 693 N PHE A 49 -5.835 3.435 3.780 1.00 0.00 N ATOM 694 CA PHE A 49 -5.464 2.208 4.474 1.00 0.00 C ATOM 695 C PHE A 49 -4.141 1.663 3.944 1.00 0.00 C ATOM 696 O PHE A 49 -3.141 1.619 4.662 1.00 0.00 O ATOM 697 CB PHE A 49 -6.562 1.155 4.315 1.00 0.00 C ATOM 698 CG PHE A 49 -6.404 -0.020 5.237 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.195 0.170 6.593 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.465 -1.315 4.747 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.048 -0.910 7.444 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.319 -2.399 5.593 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.112 -2.196 6.943 1.00 0.00 C ATOM 0 H PHE A 49 -6.822 3.495 3.528 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.344 2.441 5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.530 1.621 4.496 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.567 0.800 3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.146 1.173 6.990 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.628 -1.479 3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.883 -0.748 8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.367 -3.403 5.198 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.000 -3.041 7.606 1.00 0.00 H new ATOM 713 N LEU A 50 -4.143 1.247 2.682 1.00 0.00 N ATOM 714 CA LEU A 50 -2.943 0.704 2.054 1.00 0.00 C ATOM 715 C LEU A 50 -1.733 1.588 2.334 1.00 0.00 C ATOM 716 O LEU A 50 -0.721 1.126 2.862 1.00 0.00 O ATOM 717 CB LEU A 50 -3.151 0.568 0.544 1.00 0.00 C ATOM 718 CG LEU A 50 -3.916 -0.672 0.081 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.257 -0.568 -1.397 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.107 -1.932 0.355 1.00 0.00 C ATOM 0 H LEU A 50 -4.961 1.275 2.074 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.755 -0.282 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.682 1.451 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.174 0.569 0.061 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.847 -0.732 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.801 -1.460 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.876 0.313 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.338 -0.483 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.667 -2.804 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.160 -1.880 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.914 -2.015 1.425 1.00 0.00 H new ATOM 732 N LYS A 51 -1.844 2.864 1.980 1.00 0.00 N ATOM 733 CA LYS A 51 -0.761 3.816 2.197 1.00 0.00 C ATOM 734 C LYS A 51 -0.153 3.642 3.584 1.00 0.00 C ATOM 735 O LYS A 51 0.991 4.029 3.823 1.00 0.00 O ATOM 736 CB LYS A 51 -1.273 5.249 2.028 1.00 0.00 C ATOM 737 CG LYS A 51 -1.913 5.511 0.676 1.00 0.00 C ATOM 738 CD LYS A 51 -2.327 6.966 0.528 1.00 0.00 C ATOM 739 CE LYS A 51 -1.209 7.805 -0.070 1.00 0.00 C ATOM 740 NZ LYS A 51 -0.118 8.057 0.911 1.00 0.00 N ATOM 0 H LYS A 51 -2.674 3.263 1.541 1.00 0.00 H new ATOM 0 HA LYS A 51 0.013 3.623 1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.000 5.461 2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.443 5.941 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.212 5.249 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.786 4.869 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.211 7.031 -0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.603 7.368 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.801 7.297 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.614 8.756 -0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.354 8.955 0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.518 8.110 1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.574 7.282 0.868 1.00 0.00 H new ATOM 754 N GLN A 52 -0.925 3.057 4.495 1.00 0.00 N ATOM 755 CA GLN A 52 -0.460 2.832 5.858 1.00 0.00 C ATOM 756 C GLN A 52 0.233 1.479 5.980 1.00 0.00 C ATOM 757 O GLN A 52 1.307 1.371 6.574 1.00 0.00 O ATOM 758 CB GLN A 52 -1.632 2.907 6.838 1.00 0.00 C ATOM 759 CG GLN A 52 -2.444 4.187 6.717 1.00 0.00 C ATOM 760 CD GLN A 52 -3.093 4.592 8.026 1.00 0.00 C ATOM 761 OE1 GLN A 52 -3.001 3.878 9.025 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.755 5.744 8.028 1.00 0.00 N ATOM 0 H GLN A 52 -1.874 2.731 4.313 1.00 0.00 H new ATOM 0 HA GLN A 52 0.260 3.613 6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.289 2.053 6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.250 2.823 7.856 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.796 4.993 6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.216 4.053 5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.806 6.304 7.177 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.212 6.068 8.880 1.00 0.00 H new ATOM 771 N LEU A 53 -0.387 0.449 5.415 1.00 0.00 N ATOM 772 CA LEU A 53 0.171 -0.899 5.461 1.00 0.00 C ATOM 773 C LEU A 53 1.545 -0.942 4.800 1.00 0.00 C ATOM 774 O LEU A 53 2.480 -1.542 5.331 1.00 0.00 O ATOM 775 CB LEU A 53 -0.772 -1.885 4.769 1.00 0.00 C ATOM 776 CG LEU A 53 -2.024 -2.279 5.553 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.173 -1.335 5.233 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.414 -3.718 5.248 1.00 0.00 C ATOM 0 H LEU A 53 -1.276 0.521 4.920 1.00 0.00 H new ATOM 0 HA LEU A 53 0.283 -1.185 6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.084 -1.452 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.212 -2.791 4.538 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.802 -2.201 6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.056 -1.631 5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.893 -0.317 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.395 -1.380 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.307 -3.981 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.617 -3.822 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.597 -4.383 5.528 1.00 0.00 H new ATOM 790 N ILE A 54 1.659 -0.301 3.642 1.00 0.00 N ATOM 791 CA ILE A 54 2.920 -0.264 2.912 1.00 0.00 C ATOM 792 C ILE A 54 3.991 0.481 3.701 1.00 0.00 C ATOM 793 O ILE A 54 5.085 -0.036 3.923 1.00 0.00 O ATOM 794 CB ILE A 54 2.753 0.406 1.535 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.905 -0.475 0.614 1.00 0.00 C ATOM 796 CG2 ILE A 54 4.113 0.679 0.910 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.417 -0.271 0.786 1.00 0.00 C ATOM 0 H ILE A 54 0.894 0.199 3.189 1.00 0.00 H new ATOM 0 HA ILE A 54 3.232 -1.298 2.769 1.00 0.00 H new ATOM 0 HB ILE A 54 2.239 1.358 1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.175 -0.269 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.145 -1.521 0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.978 1.153 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.686 1.341 1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.651 -0.261 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.122 -0.927 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.134 -0.505 1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.164 0.767 0.568 1.00 0.00 H new ATOM 809 N ALA A 55 3.667 1.699 4.123 1.00 0.00 N ATOM 810 CA ALA A 55 4.600 2.514 4.891 1.00 0.00 C ATOM 811 C ALA A 55 5.040 1.795 6.162 1.00 0.00 C ATOM 812 O ALA A 55 6.129 2.040 6.680 1.00 0.00 O ATOM 813 CB ALA A 55 3.970 3.857 5.233 1.00 0.00 C ATOM 0 H ALA A 55 2.766 2.143 3.946 1.00 0.00 H new ATOM 0 HA ALA A 55 5.484 2.685 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.678 4.455 5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.712 4.383 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.068 3.696 5.824 1.00 0.00 H new ATOM 819 N GLY A 56 4.184 0.908 6.661 1.00 0.00 N ATOM 820 CA GLY A 56 4.503 0.168 7.868 1.00 0.00 C ATOM 821 C GLY A 56 5.449 -0.988 7.607 1.00 0.00 C ATOM 822 O GLY A 56 6.220 -1.379 8.482 1.00 0.00 O ATOM 0 H GLY A 56 3.276 0.689 6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.952 0.843 8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.583 -0.213 8.311 1.00 0.00 H new ATOM 826 N LYS A 57 5.389 -1.538 6.399 1.00 0.00 N ATOM 827 CA LYS A 57 6.245 -2.657 6.023 1.00 0.00 C ATOM 828 C LYS A 57 7.576 -2.160 5.466 1.00 0.00 C ATOM 829 O LYS A 57 8.619 -2.781 5.676 1.00 0.00 O ATOM 830 CB LYS A 57 5.544 -3.538 4.987 1.00 0.00 C ATOM 831 CG LYS A 57 4.553 -4.517 5.593 1.00 0.00 C ATOM 832 CD LYS A 57 5.258 -5.715 6.207 1.00 0.00 C ATOM 833 CE LYS A 57 4.326 -6.912 6.321 1.00 0.00 C ATOM 834 NZ LYS A 57 4.295 -7.711 5.064 1.00 0.00 N ATOM 0 H LYS A 57 4.756 -1.227 5.663 1.00 0.00 H new ATOM 0 HA LYS A 57 6.442 -3.247 6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.022 -2.900 4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.296 -4.094 4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.961 -4.012 6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.859 -4.857 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.122 -5.982 5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.634 -5.450 7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.648 -7.546 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.319 -6.568 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.649 -8.518 5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.963 -7.113 4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.251 -8.061 4.852 1.00 0.00 H new ATOM 848 N LEU A 58 7.533 -1.037 4.758 1.00 0.00 N ATOM 849 CA LEU A 58 8.736 -0.456 4.172 1.00 0.00 C ATOM 850 C LEU A 58 9.300 0.644 5.066 1.00 0.00 C ATOM 851 O LEU A 58 9.981 1.553 4.592 1.00 0.00 O ATOM 852 CB LEU A 58 8.430 0.107 2.783 1.00 0.00 C ATOM 853 CG LEU A 58 7.581 -0.780 1.872 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.375 -0.114 0.520 1.00 0.00 C ATOM 855 CD2 LEU A 58 8.230 -2.146 1.702 1.00 0.00 C ATOM 0 H LEU A 58 6.679 -0.511 4.576 1.00 0.00 H new ATOM 0 HA LEU A 58 9.483 -1.244 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.920 1.063 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.375 0.312 2.280 1.00 0.00 H new ATOM 0 HG LEU A 58 6.606 -0.919 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.769 -0.760 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.866 0.840 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.342 0.056 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.612 -2.764 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.218 -2.027 1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.325 -2.627 2.675 1.00 0.00 H new ATOM 867 N GLN A 59 9.013 0.553 6.360 1.00 0.00 N ATOM 868 CA GLN A 59 9.494 1.540 7.320 1.00 0.00 C ATOM 869 C GLN A 59 11.001 1.735 7.192 1.00 0.00 C ATOM 870 O GLN A 59 11.552 2.720 7.681 1.00 0.00 O ATOM 871 CB GLN A 59 9.143 1.109 8.745 1.00 0.00 C ATOM 872 CG GLN A 59 7.711 1.431 9.143 1.00 0.00 C ATOM 873 CD GLN A 59 7.341 0.863 10.499 1.00 0.00 C ATOM 874 OE1 GLN A 59 7.599 -0.425 10.692 1.00 0.00 O flip ATOM 875 NE2 GLN A 59 6.828 1.574 11.364 1.00 0.00 N flip ATOM 0 H GLN A 59 8.450 -0.193 6.768 1.00 0.00 H new ATOM 0 HA GLN A 59 9.004 2.489 7.103 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.305 0.035 8.841 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.824 1.598 9.442 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.576 2.513 9.157 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.030 1.035 8.389 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.647 2.559 11.173 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.584 1.177 12.271 1.00 0.00 H new ATOM 884 N GLU A 60 11.661 0.789 6.531 1.00 0.00 N ATOM 885 CA GLU A 60 13.105 0.858 6.340 1.00 0.00 C ATOM 886 C GLU A 60 13.478 2.023 5.427 1.00 0.00 C ATOM 887 O GLU A 60 14.530 2.641 5.591 1.00 0.00 O ATOM 888 CB GLU A 60 13.627 -0.453 5.750 1.00 0.00 C ATOM 889 CG GLU A 60 13.001 -0.811 4.412 1.00 0.00 C ATOM 890 CD GLU A 60 13.747 -1.920 3.697 1.00 0.00 C ATOM 891 OE1 GLU A 60 14.957 -1.752 3.437 1.00 0.00 O ATOM 892 OE2 GLU A 60 13.120 -2.958 3.397 1.00 0.00 O ATOM 0 H GLU A 60 11.219 -0.033 6.119 1.00 0.00 H new ATOM 0 HA GLU A 60 13.567 1.019 7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.708 -0.382 5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.438 -1.260 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.967 -1.117 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.979 0.075 3.777 1.00 0.00 H new ATOM 899 N SER A 61 12.608 2.317 4.466 1.00 0.00 N ATOM 900 CA SER A 61 12.848 3.404 3.525 1.00 0.00 C ATOM 901 C SER A 61 11.826 4.521 3.714 1.00 0.00 C ATOM 902 O SER A 61 12.170 5.703 3.696 1.00 0.00 O ATOM 903 CB SER A 61 12.791 2.884 2.087 1.00 0.00 C ATOM 904 OG SER A 61 14.004 2.246 1.728 1.00 0.00 O ATOM 0 H SER A 61 11.731 1.818 4.319 1.00 0.00 H new ATOM 0 HA SER A 61 13.842 3.807 3.719 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.963 2.183 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.596 3.712 1.405 1.00 0.00 H new ATOM 0 HG SER A 61 13.942 1.921 0.806 1.00 0.00 H new ATOM 910 N VAL A 62 10.566 4.138 3.894 1.00 0.00 N ATOM 911 CA VAL A 62 9.492 5.105 4.088 1.00 0.00 C ATOM 912 C VAL A 62 9.392 5.530 5.549 1.00 0.00 C ATOM 913 O VAL A 62 9.146 4.719 6.441 1.00 0.00 O ATOM 914 CB VAL A 62 8.135 4.535 3.636 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.009 5.495 3.989 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.150 4.244 2.143 1.00 0.00 C ATOM 0 H VAL A 62 10.264 3.164 3.910 1.00 0.00 H new ATOM 0 HA VAL A 62 9.734 5.974 3.476 1.00 0.00 H new ATOM 0 HB VAL A 62 7.960 3.597 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.057 5.076 3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.986 5.648 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.175 6.450 3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.183 3.842 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.347 5.165 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.931 3.516 1.922 1.00 0.00 H new ATOM 926 N PRO A 63 9.587 6.833 5.801 1.00 0.00 N ATOM 927 CA PRO A 63 9.522 7.396 7.153 1.00 0.00 C ATOM 928 C PRO A 63 8.103 7.399 7.712 1.00 0.00 C ATOM 929 O PRO A 63 7.864 6.929 8.824 1.00 0.00 O ATOM 930 CB PRO A 63 10.026 8.829 6.965 1.00 0.00 C ATOM 931 CG PRO A 63 9.734 9.149 5.539 1.00 0.00 C ATOM 932 CD PRO A 63 9.884 7.857 4.785 1.00 0.00 C ATOM 0 HA PRO A 63 10.107 6.814 7.866 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.517 9.519 7.638 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.092 8.905 7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.727 9.551 5.428 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.422 9.904 5.160 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.194 7.800 3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.890 7.742 4.381 1.00 0.00 H new ATOM 940 N ASP A 64 7.167 7.931 6.934 1.00 0.00 N ATOM 941 CA ASP A 64 5.771 7.994 7.352 1.00 0.00 C ATOM 942 C ASP A 64 4.839 7.755 6.168 1.00 0.00 C ATOM 943 O ASP A 64 5.157 8.074 5.022 1.00 0.00 O ATOM 944 CB ASP A 64 5.468 9.350 7.991 1.00 0.00 C ATOM 945 CG ASP A 64 5.704 9.350 9.488 1.00 0.00 C ATOM 946 OD1 ASP A 64 6.816 8.973 9.914 1.00 0.00 O ATOM 947 OD2 ASP A 64 4.778 9.729 10.234 1.00 0.00 O ATOM 0 H ASP A 64 7.349 8.325 6.011 1.00 0.00 H new ATOM 0 HA ASP A 64 5.602 7.209 8.089 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.092 10.114 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.431 9.620 7.790 1.00 0.00 H new ATOM 952 N PRO A 65 3.660 7.181 6.449 1.00 0.00 N ATOM 953 CA PRO A 65 2.657 6.887 5.421 1.00 0.00 C ATOM 954 C PRO A 65 2.018 8.151 4.856 1.00 0.00 C ATOM 955 O PRO A 65 1.459 8.137 3.760 1.00 0.00 O ATOM 956 CB PRO A 65 1.617 6.050 6.170 1.00 0.00 C ATOM 957 CG PRO A 65 1.758 6.457 7.596 1.00 0.00 C ATOM 958 CD PRO A 65 3.214 6.776 7.793 1.00 0.00 C ATOM 0 HA PRO A 65 3.092 6.380 4.560 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.611 6.246 5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.801 4.983 6.043 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.135 7.323 7.818 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.440 5.656 8.264 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.355 7.575 8.521 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.769 5.911 8.157 1.00 0.00 H new ATOM 966 N GLU A 66 2.105 9.241 5.612 1.00 0.00 N ATOM 967 CA GLU A 66 1.534 10.513 5.185 1.00 0.00 C ATOM 968 C GLU A 66 2.502 11.267 4.278 1.00 0.00 C ATOM 969 O GLU A 66 2.090 12.076 3.446 1.00 0.00 O ATOM 970 CB GLU A 66 1.182 11.373 6.400 1.00 0.00 C ATOM 971 CG GLU A 66 0.338 10.648 7.435 1.00 0.00 C ATOM 972 CD GLU A 66 -0.560 11.587 8.217 1.00 0.00 C ATOM 973 OE1 GLU A 66 -1.178 12.474 7.592 1.00 0.00 O ATOM 974 OE2 GLU A 66 -0.645 11.435 9.453 1.00 0.00 O ATOM 0 H GLU A 66 2.565 9.269 6.522 1.00 0.00 H new ATOM 0 HA GLU A 66 0.625 10.303 4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.103 11.716 6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.646 12.260 6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.274 9.896 6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.993 10.118 8.126 1.00 0.00 H new ATOM 981 N LEU A 67 3.792 10.996 4.444 1.00 0.00 N ATOM 982 CA LEU A 67 4.821 11.649 3.642 1.00 0.00 C ATOM 983 C LEU A 67 5.057 10.892 2.339 1.00 0.00 C ATOM 984 O LEU A 67 6.014 11.166 1.615 1.00 0.00 O ATOM 985 CB LEU A 67 6.127 11.746 4.432 1.00 0.00 C ATOM 986 CG LEU A 67 6.007 12.265 5.865 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.372 12.304 6.535 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.364 13.645 5.881 1.00 0.00 C ATOM 0 H LEU A 67 4.150 10.328 5.127 1.00 0.00 H new ATOM 0 HA LEU A 67 4.475 12.654 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.584 10.757 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.811 12.397 3.887 1.00 0.00 H new ATOM 0 HG LEU A 67 5.369 11.582 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.267 12.676 7.554 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.795 11.300 6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.034 12.964 5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.287 13.998 6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.976 14.338 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.368 13.588 5.441 1.00 0.00 H new ATOM 1000 N ILE A 68 4.177 9.940 2.046 1.00 0.00 N ATOM 1001 CA ILE A 68 4.288 9.146 0.829 1.00 0.00 C ATOM 1002 C ILE A 68 2.968 9.122 0.066 1.00 0.00 C ATOM 1003 O ILE A 68 1.969 9.680 0.517 1.00 0.00 O ATOM 1004 CB ILE A 68 4.716 7.699 1.138 1.00 0.00 C ATOM 1005 CG1 ILE A 68 3.803 7.090 2.204 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.168 7.661 1.592 1.00 0.00 C ATOM 1007 CD1 ILE A 68 3.634 5.592 2.071 1.00 0.00 C ATOM 0 H ILE A 68 3.380 9.700 2.635 1.00 0.00 H new ATOM 0 HA ILE A 68 5.053 9.619 0.213 1.00 0.00 H new ATOM 0 HB ILE A 68 4.625 7.107 0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.209 7.316 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.823 7.565 2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.455 6.632 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.806 8.059 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.284 8.265 2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.975 5.229 2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.199 5.360 1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.606 5.107 2.159 1.00 0.00 H new ATOM 1019 N ASP A 69 2.972 8.470 -1.091 1.00 0.00 N ATOM 1020 CA ASP A 69 1.774 8.370 -1.917 1.00 0.00 C ATOM 1021 C ASP A 69 1.783 7.081 -2.734 1.00 0.00 C ATOM 1022 O ASP A 69 2.844 6.537 -3.044 1.00 0.00 O ATOM 1023 CB ASP A 69 1.669 9.578 -2.848 1.00 0.00 C ATOM 1024 CG ASP A 69 2.616 9.485 -4.028 1.00 0.00 C ATOM 1025 OD1 ASP A 69 2.596 8.449 -4.725 1.00 0.00 O ATOM 1026 OD2 ASP A 69 3.378 10.448 -4.254 1.00 0.00 O ATOM 0 H ASP A 69 3.792 8.003 -1.479 1.00 0.00 H new ATOM 0 HA ASP A 69 0.907 8.354 -1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.646 9.663 -3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.883 10.486 -2.285 1.00 0.00 H new ATOM 1031 N LEU A 70 0.595 6.598 -3.079 1.00 0.00 N ATOM 1032 CA LEU A 70 0.465 5.372 -3.859 1.00 0.00 C ATOM 1033 C LEU A 70 0.198 5.687 -5.327 1.00 0.00 C ATOM 1034 O LEU A 70 -0.696 6.471 -5.651 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.663 4.504 -3.298 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.526 2.998 -3.525 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.871 2.526 -3.153 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.577 2.241 -2.725 1.00 0.00 C ATOM 0 H LEU A 70 -0.292 7.036 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 70 1.405 4.825 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.735 4.685 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.603 4.834 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.686 2.794 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.949 1.452 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.606 3.044 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.061 2.743 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.465 1.171 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.448 2.452 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.571 2.557 -3.040 1.00 0.00 H new ATOM 1050 N ILE A 71 0.975 5.071 -6.211 1.00 0.00 N ATOM 1051 CA ILE A 71 0.820 5.283 -7.644 1.00 0.00 C ATOM 1052 C ILE A 71 0.338 4.014 -8.339 1.00 0.00 C ATOM 1053 O ILE A 71 0.962 2.958 -8.228 1.00 0.00 O ATOM 1054 CB ILE A 71 2.140 5.740 -8.292 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.738 6.911 -7.510 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.910 6.129 -9.745 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.864 8.145 -7.506 1.00 0.00 C ATOM 0 H ILE A 71 1.719 4.420 -5.959 1.00 0.00 H new ATOM 0 HA ILE A 71 0.074 6.068 -7.767 1.00 0.00 H new ATOM 0 HB ILE A 71 2.847 4.911 -8.266 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.915 6.598 -6.481 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.708 7.164 -7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.852 6.450 -10.189 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.523 5.271 -10.295 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.190 6.945 -9.793 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.351 8.934 -6.933 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.708 8.484 -8.530 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.902 7.908 -7.052 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.774 4.124 -9.057 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.340 2.986 -9.770 1.00 0.00 C ATOM 1071 C TYR A 72 -1.833 3.399 -11.153 1.00 0.00 C ATOM 1072 O TYR A 72 -2.237 4.544 -11.364 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.490 2.375 -8.968 1.00 0.00 C ATOM 1074 CG TYR A 72 -3.210 1.261 -9.693 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -4.271 1.533 -10.548 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -2.828 -0.065 -9.524 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -4.931 0.517 -11.212 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -3.482 -1.086 -10.185 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.533 -0.790 -11.028 1.00 0.00 C ATOM 1080 OH TYR A 72 -5.188 -1.804 -11.688 1.00 0.00 O ATOM 0 H TYR A 72 -1.302 4.991 -9.161 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.555 2.240 -9.892 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.100 1.991 -8.025 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.206 3.159 -8.721 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.585 2.556 -10.696 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.006 -0.301 -8.865 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.755 0.746 -11.872 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.172 -2.111 -10.043 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.651 -2.622 -11.646 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.797 2.460 -12.092 1.00 0.00 N ATOM 1091 CA CYS A 73 -2.240 2.725 -13.456 1.00 0.00 C ATOM 1092 C CYS A 73 -1.616 4.010 -13.990 1.00 0.00 C ATOM 1093 O CYS A 73 -2.214 4.712 -14.804 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.765 2.824 -13.509 1.00 0.00 C ATOM 1095 SG CYS A 73 -4.465 2.567 -15.157 1.00 0.00 S ATOM 0 H CYS A 73 -1.466 1.508 -11.934 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.915 1.896 -14.085 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.190 2.088 -12.827 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.067 3.807 -13.147 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.760 2.668 -15.099 1.00 0.00 H new ATOM 1101 N GLY A 74 -0.408 4.314 -13.524 1.00 0.00 N ATOM 1102 CA GLY A 74 0.277 5.515 -13.965 1.00 0.00 C ATOM 1103 C GLY A 74 -0.373 6.779 -13.438 1.00 0.00 C ATOM 1104 O GLY A 74 -0.299 7.833 -14.069 1.00 0.00 O ATOM 0 H GLY A 74 0.108 3.750 -12.849 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.315 5.479 -13.635 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.289 5.543 -15.055 1.00 0.00 H new ATOM 1108 N ARG A 75 -1.015 6.674 -12.278 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.683 7.817 -11.668 1.00 0.00 C ATOM 1110 C ARG A 75 -1.789 7.642 -10.156 1.00 0.00 C ATOM 1111 O ARG A 75 -2.105 6.558 -9.666 1.00 0.00 O ATOM 1112 CB ARG A 75 -3.078 8.000 -12.270 1.00 0.00 C ATOM 1113 CG ARG A 75 -4.092 6.980 -11.777 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.473 7.244 -12.356 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.566 6.842 -13.756 1.00 0.00 N ATOM 1116 CZ ARG A 75 -6.689 6.897 -14.464 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -7.808 7.336 -13.904 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -6.694 6.514 -15.734 1.00 0.00 N ATOM 0 H ARG A 75 -1.086 5.809 -11.742 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.087 8.706 -11.872 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.438 9.001 -12.034 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.008 7.934 -13.356 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.766 5.978 -12.054 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.141 7.010 -10.689 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.219 6.704 -11.774 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.706 8.305 -12.267 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.722 6.500 -14.216 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.808 7.632 -12.928 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.669 7.377 -14.449 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.835 6.177 -16.168 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.557 6.557 -16.276 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.521 8.716 -9.422 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.586 8.684 -7.965 1.00 0.00 C ATOM 1134 C LYS A 76 -2.998 8.356 -7.491 1.00 0.00 C ATOM 1135 O LYS A 76 -3.978 8.651 -8.176 1.00 0.00 O ATOM 1136 CB LYS A 76 -1.140 10.027 -7.384 1.00 0.00 C ATOM 1137 CG LYS A 76 -1.224 10.092 -5.869 1.00 0.00 C ATOM 1138 CD LYS A 76 -0.174 11.026 -5.291 1.00 0.00 C ATOM 1139 CE LYS A 76 -0.265 12.415 -5.904 1.00 0.00 C ATOM 1140 NZ LYS A 76 -1.202 13.293 -5.151 1.00 0.00 N ATOM 0 H LYS A 76 -1.256 9.621 -9.812 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.913 7.902 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.113 10.223 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.756 10.820 -7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.217 10.432 -5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.092 9.093 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.302 11.095 -4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.819 10.613 -5.469 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.725 12.870 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.596 12.334 -6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.236 14.230 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.153 12.872 -5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.873 13.391 -4.169 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.096 7.747 -6.315 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.389 7.380 -5.748 1.00 0.00 C ATOM 1156 C LEU A 77 -4.679 8.188 -4.486 1.00 0.00 C ATOM 1157 O LEU A 77 -3.993 8.046 -3.474 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.423 5.885 -5.428 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.939 4.950 -6.538 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.811 3.527 -6.019 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.885 5.003 -7.729 1.00 0.00 C ATOM 0 H LEU A 77 -2.295 7.497 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.158 7.604 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.814 5.710 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.446 5.612 -5.171 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.955 5.284 -6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.466 2.876 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.094 3.502 -5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.781 3.181 -5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.526 4.332 -8.509 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.882 4.694 -7.416 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.926 6.021 -8.116 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.701 9.034 -4.554 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.085 9.863 -3.417 1.00 0.00 C ATOM 1175 C LYS A 78 -6.561 9.001 -2.252 1.00 0.00 C ATOM 1176 O LYS A 78 -7.008 7.870 -2.446 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.187 10.843 -3.824 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.660 12.161 -4.366 1.00 0.00 C ATOM 1179 CD LYS A 78 -6.030 13.002 -3.269 1.00 0.00 C ATOM 1180 CE LYS A 78 -7.059 13.890 -2.587 1.00 0.00 C ATOM 1181 NZ LYS A 78 -6.464 14.671 -1.467 1.00 0.00 N ATOM 0 H LYS A 78 -6.279 9.164 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.208 10.425 -3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.817 10.375 -4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.821 11.043 -2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.923 11.967 -5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.475 12.717 -4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.565 12.349 -2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.238 13.620 -3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.489 14.574 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.875 13.275 -2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.198 15.263 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.076 14.018 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.702 15.277 -1.833 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.464 9.543 -1.043 1.00 0.00 N ATOM 1196 CA ASP A 79 -6.888 8.824 0.153 1.00 0.00 C ATOM 1197 C ASP A 79 -8.377 9.032 0.413 1.00 0.00 C ATOM 1198 O ASP A 79 -8.833 8.967 1.554 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.077 9.286 1.365 1.00 0.00 C ATOM 1200 CG ASP A 79 -6.378 10.720 1.751 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -6.109 11.624 0.932 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -6.883 10.940 2.871 1.00 0.00 O ATOM 0 H ASP A 79 -6.096 10.477 -0.865 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.711 7.761 -0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.290 8.633 2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.014 9.187 1.146 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.129 9.282 -0.654 1.00 0.00 N ATOM 1208 CA ASP A 80 -10.566 9.499 -0.541 1.00 0.00 C ATOM 1209 C ASP A 80 -11.332 8.561 -1.469 1.00 0.00 C ATOM 1210 O ASP A 80 -12.547 8.682 -1.624 1.00 0.00 O ATOM 1211 CB ASP A 80 -10.911 10.953 -0.868 1.00 0.00 C ATOM 1212 CG ASP A 80 -12.213 11.397 -0.230 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -13.235 10.708 -0.427 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -12.209 12.434 0.466 1.00 0.00 O ATOM 0 H ASP A 80 -8.767 9.339 -1.606 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.861 9.286 0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.103 11.601 -0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.980 11.073 -1.949 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.612 7.627 -2.083 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.224 6.670 -2.996 1.00 0.00 C ATOM 1221 C GLN A 81 -11.109 5.249 -2.453 1.00 0.00 C ATOM 1222 O GLN A 81 -10.594 5.032 -1.356 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.566 6.756 -4.375 1.00 0.00 C ATOM 1224 CG GLN A 81 -10.220 8.175 -4.796 1.00 0.00 C ATOM 1225 CD GLN A 81 -11.412 8.924 -5.359 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -12.336 9.308 -4.487 1.00 0.00 O flip ATOM 1227 NE2 GLN A 81 -11.501 9.155 -6.565 1.00 0.00 N flip ATOM 0 H GLN A 81 -9.605 7.513 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.281 6.920 -3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.657 6.155 -4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.236 6.319 -5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.827 8.719 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.428 8.145 -5.544 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.767 8.841 -7.200 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.309 9.660 -6.929 1.00 0.00 H new ATOM 1236 N THR A 82 -11.594 4.283 -3.228 1.00 0.00 N ATOM 1237 CA THR A 82 -11.548 2.884 -2.824 1.00 0.00 C ATOM 1238 C THR A 82 -10.970 2.011 -3.932 1.00 0.00 C ATOM 1239 O THR A 82 -10.746 2.476 -5.050 1.00 0.00 O ATOM 1240 CB THR A 82 -12.947 2.360 -2.450 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.808 2.405 -3.593 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.550 3.184 -1.322 1.00 0.00 C ATOM 0 H THR A 82 -12.023 4.445 -4.139 1.00 0.00 H new ATOM 0 HA THR A 82 -10.902 2.830 -1.948 1.00 0.00 H new ATOM 0 HB THR A 82 -12.846 1.329 -2.111 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.204 3.298 -3.669 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.538 2.795 -1.075 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.907 3.124 -0.444 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.638 4.224 -1.638 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.731 0.743 -3.616 1.00 0.00 N ATOM 1251 CA LEU A 83 -10.179 -0.197 -4.586 1.00 0.00 C ATOM 1252 C LEU A 83 -11.071 -0.292 -5.820 1.00 0.00 C ATOM 1253 O LEU A 83 -10.583 -0.425 -6.942 1.00 0.00 O ATOM 1254 CB LEU A 83 -10.018 -1.579 -3.951 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.834 -1.746 -2.998 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.535 -1.879 -3.777 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.760 -0.574 -2.030 1.00 0.00 C ATOM 0 H LEU A 83 -10.911 0.342 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.200 0.170 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.933 -1.816 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.923 -2.315 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.982 -2.659 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.704 -1.997 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.589 -2.751 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.379 -0.984 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.912 -0.709 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.636 0.353 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.680 -0.525 -1.447 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.380 -0.221 -5.604 1.00 0.00 N ATOM 1270 CA ASP A 84 -13.341 -0.295 -6.698 1.00 0.00 C ATOM 1271 C ASP A 84 -13.291 0.968 -7.552 1.00 0.00 C ATOM 1272 O ASP A 84 -13.325 0.901 -8.781 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.754 -0.501 -6.152 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.801 -0.524 -7.248 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.747 0.350 -8.138 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.675 -1.416 -7.216 1.00 0.00 O ATOM 0 H ASP A 84 -12.800 -0.112 -4.681 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.075 -1.146 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.793 -1.438 -5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.988 0.297 -5.447 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.212 2.119 -6.892 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.160 3.398 -7.590 1.00 0.00 C ATOM 1283 C PHE A 85 -12.210 3.329 -8.783 1.00 0.00 C ATOM 1284 O PHE A 85 -12.590 3.640 -9.912 1.00 0.00 O ATOM 1285 CB PHE A 85 -12.716 4.507 -6.634 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.806 4.977 -5.714 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -14.797 4.107 -5.291 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -13.840 6.290 -5.273 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -15.801 4.536 -4.444 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -14.841 6.725 -4.425 1.00 0.00 C ATOM 1291 CZ PHE A 85 -15.824 5.847 -4.011 1.00 0.00 C ATOM 0 H PHE A 85 -13.183 2.192 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.161 3.624 -7.958 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.878 4.147 -6.037 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.353 5.354 -7.216 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -14.785 3.081 -5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.076 6.981 -5.596 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -16.567 3.847 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.855 7.750 -4.086 1.00 0.00 H new ATOM 0 HZ PHE A 85 -16.609 6.185 -3.350 1.00 0.00 H new ATOM 1301 N TYR A 86 -10.973 2.919 -8.523 1.00 0.00 N ATOM 1302 CA TYR A 86 -9.968 2.812 -9.574 1.00 0.00 C ATOM 1303 C TYR A 86 -10.064 1.465 -10.284 1.00 0.00 C ATOM 1304 O TYR A 86 -9.723 1.345 -11.460 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.567 2.993 -8.988 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.261 4.415 -8.577 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -7.759 5.331 -9.493 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.475 4.844 -7.272 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.478 6.632 -9.121 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -8.198 6.143 -6.892 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.699 7.033 -7.820 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.422 8.328 -7.447 1.00 0.00 O ATOM 0 H TYR A 86 -10.643 2.656 -7.595 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.155 3.601 -10.303 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.458 2.342 -8.121 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.830 2.670 -9.723 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.585 5.021 -10.513 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.865 4.150 -6.542 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.087 7.331 -9.845 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.371 6.460 -5.874 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.260 8.805 -7.274 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.533 0.453 -9.560 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.668 -0.872 -10.137 1.00 0.00 C ATOM 1324 C GLY A 87 -9.510 -1.781 -9.775 1.00 0.00 C ATOM 1325 O GLY A 87 -9.288 -2.802 -10.426 1.00 0.00 O ATOM 0 H GLY A 87 -10.822 0.527 -8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.600 -1.321 -9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.735 -0.788 -11.222 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.771 -1.410 -8.735 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.631 -2.200 -8.288 1.00 0.00 C ATOM 1331 C ILE A 88 -8.061 -3.606 -7.883 1.00 0.00 C ATOM 1332 O ILE A 88 -9.028 -3.781 -7.142 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.914 -1.533 -7.099 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.496 -0.107 -7.464 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.704 -2.355 -6.681 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.298 0.791 -6.262 1.00 0.00 C ATOM 0 H ILE A 88 -8.941 -0.567 -8.186 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.941 -2.261 -9.130 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.604 -1.486 -6.257 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.569 -0.144 -8.036 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.254 0.330 -8.113 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.208 -1.871 -5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.027 -3.353 -6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.009 -2.431 -7.517 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.003 1.786 -6.596 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.230 0.858 -5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.518 0.377 -5.623 1.00 0.00 H new ATOM 1348 N GLN A 89 -7.334 -4.606 -8.374 1.00 0.00 N ATOM 1349 CA GLN A 89 -7.640 -5.997 -8.062 1.00 0.00 C ATOM 1350 C GLN A 89 -6.467 -6.667 -7.354 1.00 0.00 C ATOM 1351 O GLN A 89 -5.324 -6.217 -7.433 1.00 0.00 O ATOM 1352 CB GLN A 89 -7.986 -6.764 -9.339 1.00 0.00 C ATOM 1353 CG GLN A 89 -9.461 -6.707 -9.703 1.00 0.00 C ATOM 1354 CD GLN A 89 -9.697 -6.791 -11.198 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -9.516 -7.845 -11.809 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -10.103 -5.677 -11.796 1.00 0.00 N ATOM 0 H GLN A 89 -6.530 -4.478 -8.989 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.501 -6.012 -7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.401 -6.360 -10.165 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.690 -7.806 -9.218 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.985 -7.526 -9.210 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.889 -5.780 -9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.240 -4.826 -11.250 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.278 -5.672 -12.801 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.754 -7.768 -6.644 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.736 -8.523 -5.908 1.00 0.00 C ATOM 1367 C PRO A 90 -4.773 -9.254 -6.837 1.00 0.00 C ATOM 1368 O PRO A 90 -5.009 -10.401 -7.214 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.558 -9.525 -5.094 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.822 -9.692 -5.863 1.00 0.00 C ATOM 1371 CD PRO A 90 -8.095 -8.360 -6.505 1.00 0.00 C ATOM 0 HA PRO A 90 -5.106 -7.874 -5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.032 -10.474 -4.986 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.753 -9.153 -4.088 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.721 -10.474 -6.615 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.642 -9.985 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.587 -8.473 -7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.745 -7.741 -5.887 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.685 -8.582 -7.203 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.702 -9.184 -8.084 1.00 0.00 C ATOM 1381 C GLY A 91 -1.891 -8.151 -8.840 1.00 0.00 C ATOM 1382 O GLY A 91 -0.835 -8.463 -9.391 1.00 0.00 O ATOM 0 H GLY A 91 -3.467 -7.631 -6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.030 -9.811 -7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.208 -9.836 -8.796 1.00 0.00 H new ATOM 1386 N SER A 92 -2.385 -6.917 -8.867 1.00 0.00 N ATOM 1387 CA SER A 92 -1.701 -5.835 -9.566 1.00 0.00 C ATOM 1388 C SER A 92 -0.414 -5.449 -8.842 1.00 0.00 C ATOM 1389 O SER A 92 -0.041 -6.064 -7.843 1.00 0.00 O ATOM 1390 CB SER A 92 -2.618 -4.617 -9.685 1.00 0.00 C ATOM 1391 OG SER A 92 -3.837 -4.956 -10.324 1.00 0.00 O ATOM 0 H SER A 92 -3.256 -6.642 -8.413 1.00 0.00 H new ATOM 0 HA SER A 92 -1.444 -6.186 -10.565 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.824 -4.214 -8.693 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.114 -3.832 -10.249 1.00 0.00 H new ATOM 0 HG SER A 92 -4.406 -4.161 -10.386 1.00 0.00 H new ATOM 1397 N THR A 93 0.260 -4.424 -9.354 1.00 0.00 N ATOM 1398 CA THR A 93 1.505 -3.955 -8.759 1.00 0.00 C ATOM 1399 C THR A 93 1.526 -2.435 -8.654 1.00 0.00 C ATOM 1400 O THR A 93 1.491 -1.732 -9.664 1.00 0.00 O ATOM 1401 CB THR A 93 2.727 -4.419 -9.574 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.631 -5.821 -9.847 1.00 0.00 O ATOM 1403 CG2 THR A 93 4.019 -4.131 -8.824 1.00 0.00 C ATOM 0 H THR A 93 -0.036 -3.903 -10.179 1.00 0.00 H new ATOM 0 HA THR A 93 1.559 -4.386 -7.759 1.00 0.00 H new ATOM 0 HB THR A 93 2.740 -3.867 -10.514 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.411 -6.107 -10.367 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.868 -4.467 -9.419 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.104 -3.059 -8.644 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.012 -4.660 -7.871 1.00 0.00 H new ATOM 1411 N VAL A 94 1.583 -1.932 -7.425 1.00 0.00 N ATOM 1412 CA VAL A 94 1.610 -0.493 -7.188 1.00 0.00 C ATOM 1413 C VAL A 94 3.021 -0.017 -6.861 1.00 0.00 C ATOM 1414 O VAL A 94 3.862 -0.795 -6.409 1.00 0.00 O ATOM 1415 CB VAL A 94 0.666 -0.096 -6.038 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.688 -0.768 -6.203 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.286 -0.449 -4.694 1.00 0.00 C ATOM 0 H VAL A 94 1.611 -2.499 -6.578 1.00 0.00 H new ATOM 0 HA VAL A 94 1.272 -0.014 -8.107 1.00 0.00 H new ATOM 0 HB VAL A 94 0.515 0.983 -6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.342 -0.476 -5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.134 -0.460 -7.149 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.560 -1.850 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.605 -0.162 -3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.468 -1.523 -4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.230 0.084 -4.577 1.00 0.00 H new ATOM 1427 N HIS A 95 3.274 1.268 -7.091 1.00 0.00 N ATOM 1428 CA HIS A 95 4.584 1.849 -6.819 1.00 0.00 C ATOM 1429 C HIS A 95 4.493 2.905 -5.722 1.00 0.00 C ATOM 1430 O HIS A 95 3.628 3.781 -5.760 1.00 0.00 O ATOM 1431 CB HIS A 95 5.165 2.468 -8.091 1.00 0.00 C ATOM 1432 CG HIS A 95 5.657 1.455 -9.079 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.863 0.800 -8.948 1.00 0.00 N ATOM 1434 CD2 HIS A 95 5.097 0.985 -10.218 1.00 0.00 C ATOM 1435 CE1 HIS A 95 7.024 -0.029 -9.964 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.966 0.064 -10.749 1.00 0.00 N ATOM 0 H HIS A 95 2.590 1.926 -7.465 1.00 0.00 H new ATOM 0 HA HIS A 95 5.244 1.051 -6.478 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.403 3.086 -8.566 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.988 3.129 -7.820 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.144 1.280 -10.632 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.876 -0.673 -10.125 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.818 -0.463 -11.610 1.00 0.00 H new ATOM 1445 N VAL A 96 5.389 2.816 -4.745 1.00 0.00 N ATOM 1446 CA VAL A 96 5.410 3.764 -3.637 1.00 0.00 C ATOM 1447 C VAL A 96 6.200 5.016 -4.000 1.00 0.00 C ATOM 1448 O VAL A 96 7.187 4.950 -4.734 1.00 0.00 O ATOM 1449 CB VAL A 96 6.020 3.134 -2.371 1.00 0.00 C ATOM 1450 CG1 VAL A 96 6.217 4.188 -1.292 1.00 0.00 C ATOM 1451 CG2 VAL A 96 5.142 1.999 -1.865 1.00 0.00 C ATOM 0 H VAL A 96 6.111 2.097 -4.698 1.00 0.00 H new ATOM 0 HA VAL A 96 4.374 4.038 -3.435 1.00 0.00 H new ATOM 0 HB VAL A 96 6.996 2.722 -2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.649 3.724 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.889 4.964 -1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.255 4.632 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.588 1.565 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.151 2.384 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.057 1.233 -2.636 1.00 0.00 H new ATOM 1461 N LEU A 97 5.760 6.157 -3.481 1.00 0.00 N ATOM 1462 CA LEU A 97 6.427 7.427 -3.749 1.00 0.00 C ATOM 1463 C LEU A 97 6.731 8.167 -2.451 1.00 0.00 C ATOM 1464 O LEU A 97 5.924 8.167 -1.521 1.00 0.00 O ATOM 1465 CB LEU A 97 5.558 8.300 -4.656 1.00 0.00 C ATOM 1466 CG LEU A 97 6.304 9.299 -5.542 1.00 0.00 C ATOM 1467 CD1 LEU A 97 6.815 10.468 -4.714 1.00 0.00 C ATOM 1468 CD2 LEU A 97 7.453 8.614 -6.267 1.00 0.00 C ATOM 0 H LEU A 97 4.945 6.229 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 97 7.370 7.215 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.967 7.647 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.856 8.853 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 97 5.609 9.685 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.343 11.169 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.973 10.974 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.495 10.100 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.973 9.340 -6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.149 8.200 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.062 7.811 -6.891 1.00 0.00 H new ATOM 1480 N ARG A 98 7.899 8.799 -2.396 1.00 0.00 N ATOM 1481 CA ARG A 98 8.309 9.544 -1.212 1.00 0.00 C ATOM 1482 C ARG A 98 8.172 11.047 -1.441 1.00 0.00 C ATOM 1483 O ARG A 98 9.049 11.678 -2.032 1.00 0.00 O ATOM 1484 CB ARG A 98 9.754 9.203 -0.843 1.00 0.00 C ATOM 1485 CG ARG A 98 9.890 7.923 -0.035 1.00 0.00 C ATOM 1486 CD ARG A 98 9.828 8.199 1.460 1.00 0.00 C ATOM 1487 NE ARG A 98 10.838 9.167 1.880 1.00 0.00 N ATOM 1488 CZ ARG A 98 12.112 8.855 2.088 1.00 0.00 C ATOM 1489 NH1 ARG A 98 12.531 7.609 1.914 1.00 0.00 N ATOM 1490 NH2 ARG A 98 12.972 9.791 2.470 1.00 0.00 N ATOM 0 H ARG A 98 8.578 8.810 -3.157 1.00 0.00 H new ATOM 0 HA ARG A 98 7.654 9.258 -0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.341 9.110 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.179 10.029 -0.273 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.095 7.231 -0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.835 7.437 -0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.837 8.573 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.970 7.267 2.007 1.00 0.00 H new ATOM 0 HE ARG A 98 10.549 10.135 2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.874 6.886 1.619 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.510 7.373 2.075 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.655 10.751 2.604 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.950 9.550 2.629 1.00 0.00 H new