USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 562 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 53 SER OG : rot -110:sc= 0.38 USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 0.352 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 33 GLN : amide:sc= -0.0675 X(o=-0.067,f=-0.09) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.092 X(o=-0.092,f=-0.092) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0.0691 (180deg=0.0691) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= 0.216 (180deg=-0.298) USER MOD Single : A 49 GLN : amide:sc=0.000395 K(o=0.0004,f=-0.86) USER MOD Single : A 51 HIS : +bothHN:sc= 0.396 K(o=0.4,f=-3.3!) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.275 F(o=-0.83,f=-0.28) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc=-0.00544 F(o=-0.78,f=-0.0054) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc=-0.00571 X(o=-0.0057,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.978 K(o=-0.98,f=-4.3!) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= 0.42 (180deg=0.134) USER MOD Single : A 77 HIS : no HD1:sc= 0.761 K(o=0.76,f=-2.7!) USER MOD Single : A 80 THR OG1 : rot 78:sc= 0.53 USER MOD Single : A 82 TYR OH : rot 30:sc= -0.709 USER MOD Single : A 83 ASN : amide:sc= 0.515 K(o=0.52,f=-0.0033) USER MOD Single : A 84 HIS : no HE2:sc= 0.0263 K(o=0.026,f=-0.66) USER MOD Single : A 88 THR OG1 : rot -120:sc= -0.144 USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= 0.973 (180deg=0.61) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -5.514 4.373 1.313 1.00 0.00 N ATOM 96 CA ARG A 27 -4.595 4.861 0.268 1.00 0.00 C ATOM 97 C ARG A 27 -3.421 5.675 0.846 1.00 0.00 C ATOM 98 O ARG A 27 -3.595 6.477 1.773 1.00 0.00 O ATOM 99 CB ARG A 27 -5.354 5.707 -0.783 1.00 0.00 C ATOM 100 CG ARG A 27 -5.736 7.159 -0.389 1.00 0.00 C ATOM 101 CD ARG A 27 -6.768 7.255 0.746 1.00 0.00 C ATOM 102 NE ARG A 27 -7.119 8.656 1.043 1.00 0.00 N ATOM 103 CZ ARG A 27 -8.361 9.117 1.265 1.00 0.00 C ATOM 104 NH1 ARG A 27 -9.411 8.306 1.194 1.00 0.00 N ATOM 105 NH2 ARG A 27 -8.551 10.392 1.552 1.00 0.00 N ATOM 0 HA ARG A 27 -4.177 3.977 -0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.743 5.752 -1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.270 5.177 -1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.833 7.691 -0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.131 7.670 -1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.667 6.705 0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.369 6.781 1.643 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.355 9.331 1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.279 7.320 0.969 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.349 8.669 1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.755 11.027 1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.494 10.742 1.721 1.00 0.00 H new ATOM 119 N ALA A 28 -2.224 5.421 0.322 1.00 0.00 N ATOM 120 CA ALA A 28 -1.028 6.193 0.669 1.00 0.00 C ATOM 121 C ALA A 28 -0.894 7.393 -0.294 1.00 0.00 C ATOM 122 O ALA A 28 -0.353 8.436 0.074 1.00 0.00 O ATOM 123 CB ALA A 28 0.214 5.291 0.621 1.00 0.00 C ATOM 0 H ALA A 28 -2.054 4.676 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.118 6.577 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.098 5.874 0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.097 4.473 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.330 4.884 -0.384 1.00 0.00 H new ATOM 129 N TRP A 29 -1.404 7.213 -1.542 1.00 0.00 N ATOM 130 CA TRP A 29 -1.337 8.226 -2.629 1.00 0.00 C ATOM 131 C TRP A 29 -2.650 8.228 -3.428 1.00 0.00 C ATOM 132 O TRP A 29 -3.412 7.254 -3.388 1.00 0.00 O ATOM 133 CB TRP A 29 -0.149 7.924 -3.597 1.00 0.00 C ATOM 134 CG TRP A 29 1.171 7.708 -2.897 1.00 0.00 C ATOM 135 CD1 TRP A 29 2.005 8.659 -2.377 1.00 0.00 C ATOM 136 CD2 TRP A 29 1.785 6.441 -2.603 1.00 0.00 C ATOM 137 NE1 TRP A 29 3.095 8.062 -1.799 1.00 0.00 N ATOM 138 CE2 TRP A 29 2.986 6.706 -1.925 1.00 0.00 C ATOM 139 CE3 TRP A 29 1.433 5.112 -2.865 1.00 0.00 C ATOM 140 CZ2 TRP A 29 3.832 5.695 -1.489 1.00 0.00 C ATOM 141 CZ3 TRP A 29 2.273 4.108 -2.432 1.00 0.00 C ATOM 142 CH2 TRP A 29 3.463 4.404 -1.753 1.00 0.00 C ATOM 0 H TRP A 29 -1.877 6.354 -1.823 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.182 9.203 -2.172 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.388 7.037 -4.183 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.046 8.752 -4.299 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.830 9.724 -2.416 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.866 8.553 -1.346 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.522 4.878 -3.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.747 5.919 -0.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.010 3.077 -2.619 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.103 3.595 -1.431 1.00 0.00 H new ATOM 153 N THR A 30 -2.902 9.330 -4.160 1.00 0.00 N ATOM 154 CA THR A 30 -4.061 9.452 -5.059 1.00 0.00 C ATOM 155 C THR A 30 -3.688 8.914 -6.453 1.00 0.00 C ATOM 156 O THR A 30 -2.511 8.688 -6.713 1.00 0.00 O ATOM 157 CB THR A 30 -4.526 10.934 -5.156 1.00 0.00 C ATOM 158 OG1 THR A 30 -3.460 11.746 -5.667 1.00 0.00 O ATOM 159 CG2 THR A 30 -4.979 11.484 -3.794 1.00 0.00 C ATOM 0 H THR A 30 -2.307 10.159 -4.143 1.00 0.00 H new ATOM 0 HA THR A 30 -4.886 8.865 -4.656 1.00 0.00 H new ATOM 0 HB THR A 30 -5.380 10.966 -5.833 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.759 12.677 -5.728 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.295 12.521 -3.907 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.813 10.889 -3.420 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.151 11.432 -3.087 1.00 0.00 H new ATOM 167 N VAL A 31 -4.680 8.758 -7.353 1.00 0.00 N ATOM 168 CA VAL A 31 -4.482 8.112 -8.678 1.00 0.00 C ATOM 169 C VAL A 31 -3.476 8.894 -9.554 1.00 0.00 C ATOM 170 O VAL A 31 -2.673 8.296 -10.282 1.00 0.00 O ATOM 171 CB VAL A 31 -5.848 7.900 -9.442 1.00 0.00 C ATOM 172 CG1 VAL A 31 -6.538 9.238 -9.799 1.00 0.00 C ATOM 173 CG2 VAL A 31 -5.679 6.992 -10.693 1.00 0.00 C ATOM 0 H VAL A 31 -5.637 9.072 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.057 7.127 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.510 7.379 -8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.473 9.037 -10.323 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.747 9.795 -8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.882 9.826 -10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.642 6.872 -11.189 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.971 7.451 -11.383 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.305 6.015 -10.386 1.00 0.00 H new ATOM 183 N GLU A 32 -3.532 10.236 -9.453 1.00 0.00 N ATOM 184 CA GLU A 32 -2.626 11.161 -10.167 1.00 0.00 C ATOM 185 C GLU A 32 -1.193 11.092 -9.599 1.00 0.00 C ATOM 186 O GLU A 32 -0.214 11.236 -10.347 1.00 0.00 O ATOM 187 CB GLU A 32 -3.192 12.612 -10.107 1.00 0.00 C ATOM 188 CG GLU A 32 -3.541 13.123 -8.690 1.00 0.00 C ATOM 189 CD GLU A 32 -4.178 14.524 -8.677 1.00 0.00 C ATOM 190 OE1 GLU A 32 -5.189 14.726 -9.387 1.00 0.00 O ATOM 191 OE2 GLU A 32 -3.693 15.425 -7.953 1.00 0.00 O ATOM 0 H GLU A 32 -4.215 10.715 -8.867 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.571 10.855 -11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.462 13.289 -10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.089 12.661 -10.725 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.225 12.418 -8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.634 13.140 -8.086 1.00 0.00 H new ATOM 198 N GLN A 33 -1.079 10.865 -8.275 1.00 0.00 N ATOM 199 CA GLN A 33 0.218 10.632 -7.613 1.00 0.00 C ATOM 200 C GLN A 33 0.789 9.255 -8.003 1.00 0.00 C ATOM 201 O GLN A 33 1.997 9.121 -8.182 1.00 0.00 O ATOM 202 CB GLN A 33 0.080 10.748 -6.074 1.00 0.00 C ATOM 203 CG GLN A 33 -0.289 12.151 -5.568 1.00 0.00 C ATOM 204 CD GLN A 33 0.759 13.208 -5.901 1.00 0.00 C ATOM 205 OE1 GLN A 33 0.695 13.866 -6.942 1.00 0.00 O ATOM 206 NE2 GLN A 33 1.742 13.373 -5.024 1.00 0.00 N ATOM 0 H GLN A 33 -1.877 10.838 -7.640 1.00 0.00 H new ATOM 0 HA GLN A 33 0.913 11.400 -7.952 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.680 10.043 -5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.021 10.446 -5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.244 12.447 -6.002 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.428 12.115 -4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.765 12.812 -4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.474 14.061 -5.202 1.00 0.00 H new ATOM 215 N LEU A 34 -0.101 8.254 -8.163 1.00 0.00 N ATOM 216 CA LEU A 34 0.291 6.868 -8.480 1.00 0.00 C ATOM 217 C LEU A 34 0.917 6.791 -9.871 1.00 0.00 C ATOM 218 O LEU A 34 2.060 6.356 -10.021 1.00 0.00 O ATOM 219 CB LEU A 34 -0.928 5.918 -8.423 1.00 0.00 C ATOM 220 CG LEU A 34 -1.553 5.683 -7.018 1.00 0.00 C ATOM 221 CD1 LEU A 34 -2.881 4.932 -7.143 1.00 0.00 C ATOM 222 CD2 LEU A 34 -0.575 4.953 -6.068 1.00 0.00 C ATOM 0 H LEU A 34 -1.109 8.385 -8.076 1.00 0.00 H new ATOM 0 HA LEU A 34 1.021 6.556 -7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.702 6.315 -9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.629 4.952 -8.830 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.753 6.658 -6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.305 4.776 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.575 5.518 -7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.710 3.967 -7.621 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.050 4.808 -5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.312 3.984 -6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.327 5.552 -5.945 1.00 0.00 H new ATOM 234 N ARG A 35 0.171 7.314 -10.862 1.00 0.00 N ATOM 235 CA ARG A 35 0.541 7.230 -12.289 1.00 0.00 C ATOM 236 C ARG A 35 1.816 8.040 -12.597 1.00 0.00 C ATOM 237 O ARG A 35 2.487 7.788 -13.605 1.00 0.00 O ATOM 238 CB ARG A 35 -0.640 7.695 -13.181 1.00 0.00 C ATOM 239 CG ARG A 35 -1.026 9.184 -13.029 1.00 0.00 C ATOM 240 CD ARG A 35 -2.167 9.620 -13.975 1.00 0.00 C ATOM 241 NE ARG A 35 -3.465 8.992 -13.638 1.00 0.00 N ATOM 242 CZ ARG A 35 -4.044 7.979 -14.309 1.00 0.00 C ATOM 243 NH1 ARG A 35 -3.392 7.338 -15.277 1.00 0.00 N ATOM 244 NH2 ARG A 35 -5.267 7.596 -13.976 1.00 0.00 N ATOM 0 H ARG A 35 -0.706 7.807 -10.697 1.00 0.00 H new ATOM 0 HA ARG A 35 0.760 6.186 -12.516 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.385 7.506 -14.224 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.512 7.084 -12.951 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.327 9.371 -11.998 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.148 9.801 -13.221 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.272 10.704 -13.934 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.900 9.364 -15.000 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.963 9.359 -12.827 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.440 7.613 -15.519 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.845 6.572 -15.776 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.760 8.067 -13.218 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.716 6.830 -14.478 1.00 0.00 H new ATOM 258 N SER A 36 2.130 9.014 -11.711 1.00 0.00 N ATOM 259 CA SER A 36 3.342 9.836 -11.793 1.00 0.00 C ATOM 260 C SER A 36 4.604 8.953 -11.793 1.00 0.00 C ATOM 261 O SER A 36 4.771 8.099 -10.914 1.00 0.00 O ATOM 262 CB SER A 36 3.380 10.815 -10.606 1.00 0.00 C ATOM 263 OG SER A 36 4.520 11.662 -10.641 1.00 0.00 O ATOM 0 H SER A 36 1.538 9.247 -10.914 1.00 0.00 H new ATOM 0 HA SER A 36 3.322 10.398 -12.727 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.477 11.425 -10.612 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.378 10.251 -9.673 1.00 0.00 H new ATOM 0 HG SER A 36 4.502 12.267 -9.870 1.00 0.00 H new ATOM 269 N GLU A 37 5.468 9.159 -12.802 1.00 0.00 N ATOM 270 CA GLU A 37 6.719 8.401 -12.963 1.00 0.00 C ATOM 271 C GLU A 37 7.679 8.667 -11.783 1.00 0.00 C ATOM 272 O GLU A 37 8.438 7.784 -11.376 1.00 0.00 O ATOM 273 CB GLU A 37 7.415 8.759 -14.309 1.00 0.00 C ATOM 274 CG GLU A 37 6.698 8.279 -15.600 1.00 0.00 C ATOM 275 CD GLU A 37 5.308 8.900 -15.858 1.00 0.00 C ATOM 276 OE1 GLU A 37 5.181 10.145 -15.786 1.00 0.00 O ATOM 277 OE2 GLU A 37 4.339 8.155 -16.138 1.00 0.00 O ATOM 0 H GLU A 37 5.317 9.858 -13.530 1.00 0.00 H new ATOM 0 HA GLU A 37 6.466 7.341 -12.973 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.525 9.842 -14.361 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.420 8.337 -14.298 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.339 8.499 -16.454 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.590 7.195 -15.553 1.00 0.00 H new ATOM 284 N GLN A 38 7.627 9.900 -11.245 1.00 0.00 N ATOM 285 CA GLN A 38 8.459 10.329 -10.101 1.00 0.00 C ATOM 286 C GLN A 38 7.917 9.807 -8.754 1.00 0.00 C ATOM 287 O GLN A 38 8.500 10.097 -7.705 1.00 0.00 O ATOM 288 CB GLN A 38 8.642 11.882 -10.107 1.00 0.00 C ATOM 289 CG GLN A 38 9.784 12.397 -11.025 1.00 0.00 C ATOM 290 CD GLN A 38 9.660 11.954 -12.493 1.00 0.00 C ATOM 291 OE1 GLN A 38 9.043 12.630 -13.303 1.00 0.00 O ATOM 292 NE2 GLN A 38 10.230 10.800 -12.838 1.00 0.00 N ATOM 0 H GLN A 38 7.005 10.630 -11.592 1.00 0.00 H new ATOM 0 HA GLN A 38 9.444 9.878 -10.219 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.706 12.343 -10.421 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.835 12.215 -9.087 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.803 13.486 -10.986 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.738 12.047 -10.631 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.739 10.255 -12.143 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.157 10.462 -13.798 1.00 0.00 H new ATOM 301 N LEU A 39 6.812 9.047 -8.772 1.00 0.00 N ATOM 302 CA LEU A 39 6.476 8.138 -7.667 1.00 0.00 C ATOM 303 C LEU A 39 6.954 6.740 -8.091 1.00 0.00 C ATOM 304 O LEU A 39 6.394 6.181 -9.056 1.00 0.00 O ATOM 305 CB LEU A 39 4.959 8.116 -7.337 1.00 0.00 C ATOM 306 CG LEU A 39 4.550 7.164 -6.154 1.00 0.00 C ATOM 307 CD1 LEU A 39 5.183 7.600 -4.813 1.00 0.00 C ATOM 308 CD2 LEU A 39 3.021 7.033 -6.029 1.00 0.00 C ATOM 0 H LEU A 39 6.138 9.044 -9.537 1.00 0.00 H new ATOM 0 HA LEU A 39 6.965 8.480 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.641 9.130 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.412 7.816 -8.231 1.00 0.00 H new ATOM 0 HG LEU A 39 4.947 6.178 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.873 6.914 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.269 7.585 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.853 8.609 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.779 6.367 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.586 8.015 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.614 6.624 -6.954 1.00 0.00 H new ATOM 320 N PRO A 40 8.022 6.171 -7.424 1.00 0.00 N ATOM 321 CA PRO A 40 8.565 4.843 -7.775 1.00 0.00 C ATOM 322 C PRO A 40 7.500 3.726 -7.682 1.00 0.00 C ATOM 323 O PRO A 40 6.717 3.665 -6.722 1.00 0.00 O ATOM 324 CB PRO A 40 9.717 4.622 -6.758 1.00 0.00 C ATOM 325 CG PRO A 40 10.076 6.001 -6.296 1.00 0.00 C ATOM 326 CD PRO A 40 8.775 6.772 -6.290 1.00 0.00 C ATOM 0 HA PRO A 40 8.906 4.806 -8.810 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.397 3.995 -5.926 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.568 4.125 -7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.524 5.979 -5.303 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.803 6.462 -6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.242 6.657 -5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.938 7.840 -6.435 1.00 0.00 H new ATOM 334 N LYS A 41 7.495 2.863 -8.711 1.00 0.00 N ATOM 335 CA LYS A 41 6.579 1.713 -8.844 1.00 0.00 C ATOM 336 C LYS A 41 6.681 0.775 -7.636 1.00 0.00 C ATOM 337 O LYS A 41 5.675 0.243 -7.172 1.00 0.00 O ATOM 338 CB LYS A 41 6.935 0.925 -10.127 1.00 0.00 C ATOM 339 CG LYS A 41 6.817 1.742 -11.430 1.00 0.00 C ATOM 340 CD LYS A 41 7.244 0.951 -12.678 1.00 0.00 C ATOM 341 CE LYS A 41 6.416 -0.322 -12.865 1.00 0.00 C ATOM 342 NZ LYS A 41 6.875 -1.126 -14.024 1.00 0.00 N ATOM 0 H LYS A 41 8.143 2.946 -9.494 1.00 0.00 H new ATOM 0 HA LYS A 41 5.559 2.094 -8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.955 0.551 -10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.282 0.055 -10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.786 2.073 -11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.432 2.638 -11.347 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.140 1.583 -13.560 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.299 0.688 -12.596 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.474 -0.927 -11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.368 -0.055 -13.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.285 -1.978 -14.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.796 -0.560 -14.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.867 -1.405 -13.882 1.00 0.00 H new ATOM 356 N LYS A 42 7.915 0.614 -7.137 1.00 0.00 N ATOM 357 CA LYS A 42 8.227 -0.271 -6.008 1.00 0.00 C ATOM 358 C LYS A 42 7.530 0.178 -4.711 1.00 0.00 C ATOM 359 O LYS A 42 7.193 -0.657 -3.892 1.00 0.00 O ATOM 360 CB LYS A 42 9.761 -0.368 -5.795 1.00 0.00 C ATOM 361 CG LYS A 42 10.468 0.962 -5.443 1.00 0.00 C ATOM 362 CD LYS A 42 11.995 0.790 -5.266 1.00 0.00 C ATOM 363 CE LYS A 42 12.691 0.246 -6.531 1.00 0.00 C ATOM 364 NZ LYS A 42 14.157 0.110 -6.353 1.00 0.00 N ATOM 0 H LYS A 42 8.731 1.099 -7.510 1.00 0.00 H new ATOM 0 HA LYS A 42 7.843 -1.260 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.955 -1.085 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.212 -0.770 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.276 1.691 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.042 1.365 -4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.435 1.751 -5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.185 0.112 -4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.267 -0.725 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.489 0.913 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.580 -0.259 -7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.568 1.040 -6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.352 -0.547 -5.571 1.00 0.00 H new ATOM 378 N ASP A 43 7.332 1.495 -4.533 1.00 0.00 N ATOM 379 CA ASP A 43 6.597 2.039 -3.361 1.00 0.00 C ATOM 380 C ASP A 43 5.126 1.605 -3.389 1.00 0.00 C ATOM 381 O ASP A 43 4.553 1.242 -2.354 1.00 0.00 O ATOM 382 CB ASP A 43 6.700 3.590 -3.299 1.00 0.00 C ATOM 383 CG ASP A 43 8.064 4.074 -2.790 1.00 0.00 C ATOM 384 OD1 ASP A 43 9.033 4.111 -3.569 1.00 0.00 O ATOM 385 OD2 ASP A 43 8.185 4.406 -1.590 1.00 0.00 O ATOM 0 H ASP A 43 7.667 2.208 -5.181 1.00 0.00 H new ATOM 0 HA ASP A 43 7.063 1.632 -2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.521 4.002 -4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.916 3.976 -2.648 1.00 0.00 H new ATOM 390 N ILE A 44 4.532 1.637 -4.590 1.00 0.00 N ATOM 391 CA ILE A 44 3.116 1.279 -4.808 1.00 0.00 C ATOM 392 C ILE A 44 2.907 -0.233 -4.596 1.00 0.00 C ATOM 393 O ILE A 44 2.017 -0.642 -3.853 1.00 0.00 O ATOM 394 CB ILE A 44 2.654 1.691 -6.252 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.951 3.204 -6.496 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.157 1.358 -6.499 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.628 3.690 -7.896 1.00 0.00 C ATOM 0 H ILE A 44 5.018 1.912 -5.443 1.00 0.00 H new ATOM 0 HA ILE A 44 2.511 1.824 -4.083 1.00 0.00 H new ATOM 0 HB ILE A 44 3.225 1.104 -6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.379 3.794 -5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.006 3.392 -6.294 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.879 1.659 -7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.999 0.286 -6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.541 1.895 -5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.865 4.751 -7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.219 3.130 -8.621 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.568 3.539 -8.098 1.00 0.00 H new ATOM 409 N ILE A 45 3.749 -1.036 -5.255 1.00 0.00 N ATOM 410 CA ILE A 45 3.708 -2.513 -5.166 1.00 0.00 C ATOM 411 C ILE A 45 3.975 -2.983 -3.725 1.00 0.00 C ATOM 412 O ILE A 45 3.338 -3.925 -3.256 1.00 0.00 O ATOM 413 CB ILE A 45 4.766 -3.147 -6.138 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.480 -2.689 -7.598 1.00 0.00 C ATOM 415 CG2 ILE A 45 4.805 -4.696 -6.040 1.00 0.00 C ATOM 416 CD1 ILE A 45 5.574 -2.988 -8.601 1.00 0.00 C ATOM 0 H ILE A 45 4.484 -0.686 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 45 2.711 -2.842 -5.459 1.00 0.00 H new ATOM 0 HB ILE A 45 5.751 -2.792 -5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.560 -3.166 -7.936 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.298 -1.614 -7.594 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.552 -5.086 -6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.064 -4.990 -5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.826 -5.102 -6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.274 -2.628 -9.585 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.493 -2.488 -8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.744 -4.064 -8.644 1.00 0.00 H new ATOM 428 N LYS A 46 4.909 -2.291 -3.037 1.00 0.00 N ATOM 429 CA LYS A 46 5.231 -2.539 -1.612 1.00 0.00 C ATOM 430 C LYS A 46 3.955 -2.359 -0.776 1.00 0.00 C ATOM 431 O LYS A 46 3.593 -3.228 0.009 1.00 0.00 O ATOM 432 CB LYS A 46 6.358 -1.565 -1.130 1.00 0.00 C ATOM 433 CG LYS A 46 7.056 -1.890 0.223 1.00 0.00 C ATOM 434 CD LYS A 46 6.209 -1.613 1.484 1.00 0.00 C ATOM 435 CE LYS A 46 5.794 -0.140 1.629 1.00 0.00 C ATOM 436 NZ LYS A 46 5.055 0.095 2.889 1.00 0.00 N ATOM 0 H LYS A 46 5.463 -1.543 -3.454 1.00 0.00 H new ATOM 0 HA LYS A 46 5.600 -3.557 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.125 -1.528 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.930 -0.565 -1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.343 -2.941 0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.976 -1.308 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.314 -2.234 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.775 -1.912 2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.681 0.493 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.172 0.149 0.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.085 1.107 3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.066 -0.204 2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.494 -0.453 3.656 1.00 0.00 H new ATOM 450 N PHE A 47 3.292 -1.217 -1.003 1.00 0.00 N ATOM 451 CA PHE A 47 2.060 -0.836 -0.291 1.00 0.00 C ATOM 452 C PHE A 47 0.950 -1.895 -0.494 1.00 0.00 C ATOM 453 O PHE A 47 0.406 -2.425 0.476 1.00 0.00 O ATOM 454 CB PHE A 47 1.601 0.571 -0.780 1.00 0.00 C ATOM 455 CG PHE A 47 0.260 1.041 -0.220 1.00 0.00 C ATOM 456 CD1 PHE A 47 0.033 1.053 1.152 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.778 1.439 -1.063 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.181 1.456 1.668 1.00 0.00 C ATOM 459 CE2 PHE A 47 -1.994 1.838 -0.546 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.193 1.842 0.822 1.00 0.00 C ATOM 0 H PHE A 47 3.595 -0.526 -1.689 1.00 0.00 H new ATOM 0 HA PHE A 47 2.262 -0.790 0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.366 1.300 -0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.540 0.559 -1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.819 0.742 1.824 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.628 1.435 -2.133 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.336 1.468 2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.789 2.147 -1.209 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.146 2.149 1.227 1.00 0.00 H new ATOM 470 N LEU A 48 0.685 -2.237 -1.759 1.00 0.00 N ATOM 471 CA LEU A 48 -0.423 -3.127 -2.154 1.00 0.00 C ATOM 472 C LEU A 48 -0.183 -4.586 -1.716 1.00 0.00 C ATOM 473 O LEU A 48 -1.138 -5.302 -1.433 1.00 0.00 O ATOM 474 CB LEU A 48 -0.652 -3.036 -3.684 1.00 0.00 C ATOM 475 CG LEU A 48 -1.034 -1.618 -4.221 1.00 0.00 C ATOM 476 CD1 LEU A 48 -1.153 -1.625 -5.759 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.321 -1.077 -3.545 1.00 0.00 C ATOM 0 H LEU A 48 1.237 -1.903 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.322 -2.791 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.255 -3.366 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.442 -3.735 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.228 -0.934 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.420 -0.627 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.199 -1.920 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.925 -2.333 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.554 -0.090 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.150 -1.755 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.164 -1.005 -2.469 1.00 0.00 H new ATOM 489 N GLN A 49 1.094 -5.008 -1.652 1.00 0.00 N ATOM 490 CA GLN A 49 1.459 -6.369 -1.186 1.00 0.00 C ATOM 491 C GLN A 49 1.493 -6.425 0.359 1.00 0.00 C ATOM 492 O GLN A 49 1.320 -7.495 0.950 1.00 0.00 O ATOM 493 CB GLN A 49 2.815 -6.854 -1.789 1.00 0.00 C ATOM 494 CG GLN A 49 4.068 -6.206 -1.172 1.00 0.00 C ATOM 495 CD GLN A 49 5.399 -6.737 -1.704 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.371 -6.832 -0.962 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.478 -7.018 -2.995 1.00 0.00 N ATOM 0 H GLN A 49 1.893 -4.431 -1.916 1.00 0.00 H new ATOM 0 HA GLN A 49 0.688 -7.051 -1.544 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.885 -7.935 -1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.811 -6.655 -2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.027 -5.131 -1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.041 -6.354 -0.092 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.653 -6.930 -3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.364 -7.323 -3.397 1.00 0.00 H new ATOM 506 N GLU A 50 1.745 -5.257 0.988 1.00 0.00 N ATOM 507 CA GLU A 50 1.867 -5.115 2.460 1.00 0.00 C ATOM 508 C GLU A 50 0.515 -5.333 3.171 1.00 0.00 C ATOM 509 O GLU A 50 0.482 -5.673 4.364 1.00 0.00 O ATOM 510 CB GLU A 50 2.443 -3.708 2.790 1.00 0.00 C ATOM 511 CG GLU A 50 2.686 -3.401 4.285 1.00 0.00 C ATOM 512 CD GLU A 50 3.277 -1.998 4.536 1.00 0.00 C ATOM 513 OE1 GLU A 50 2.632 -0.997 4.149 1.00 0.00 O ATOM 514 OE2 GLU A 50 4.396 -1.881 5.093 1.00 0.00 O ATOM 0 H GLU A 50 1.871 -4.378 0.487 1.00 0.00 H new ATOM 0 HA GLU A 50 2.545 -5.885 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.388 -3.592 2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.760 -2.957 2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.743 -3.491 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.362 -4.150 4.697 1.00 0.00 H new ATOM 521 N HIS A 51 -0.605 -5.149 2.439 1.00 0.00 N ATOM 522 CA HIS A 51 -1.961 -5.373 3.007 1.00 0.00 C ATOM 523 C HIS A 51 -2.816 -6.311 2.143 1.00 0.00 C ATOM 524 O HIS A 51 -3.700 -6.985 2.676 1.00 0.00 O ATOM 525 CB HIS A 51 -2.692 -4.036 3.286 1.00 0.00 C ATOM 526 CG HIS A 51 -3.053 -3.183 2.095 1.00 0.00 C ATOM 527 ND1 HIS A 51 -2.155 -2.366 1.461 1.00 0.00 N ATOM 528 CD2 HIS A 51 -4.236 -2.983 1.462 1.00 0.00 C ATOM 529 CE1 HIS A 51 -2.758 -1.699 0.502 1.00 0.00 C ATOM 530 NE2 HIS A 51 -4.021 -2.054 0.481 1.00 0.00 N ATOM 0 H HIS A 51 -0.603 -4.849 1.464 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.815 -5.876 3.963 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.609 -4.260 3.831 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.065 -3.441 3.950 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -1.166 -2.287 1.698 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.174 -3.467 1.690 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.293 -0.981 -0.157 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.727 -1.696 -0.162 1.00 0.00 H new ATOM 539 N GLY A 52 -2.539 -6.369 0.829 1.00 0.00 N ATOM 540 CA GLY A 52 -3.273 -7.246 -0.091 1.00 0.00 C ATOM 541 C GLY A 52 -3.030 -8.725 0.186 1.00 0.00 C ATOM 542 O GLY A 52 -1.890 -9.112 0.475 1.00 0.00 O ATOM 0 H GLY A 52 -1.808 -5.815 0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.340 -7.036 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.978 -7.019 -1.116 1.00 0.00 H new ATOM 546 N SER A 53 -4.102 -9.545 0.111 1.00 0.00 N ATOM 547 CA SER A 53 -4.005 -11.004 0.324 1.00 0.00 C ATOM 548 C SER A 53 -3.164 -11.636 -0.797 1.00 0.00 C ATOM 549 O SER A 53 -3.214 -11.183 -1.937 1.00 0.00 O ATOM 550 CB SER A 53 -5.414 -11.645 0.370 1.00 0.00 C ATOM 551 OG SER A 53 -5.343 -13.048 0.576 1.00 0.00 O ATOM 0 H SER A 53 -5.046 -9.219 -0.096 1.00 0.00 H new ATOM 0 HA SER A 53 -3.519 -11.188 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.996 -11.188 1.170 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.939 -11.440 -0.563 1.00 0.00 H new ATOM 0 HG SER A 53 -5.621 -13.513 -0.240 1.00 0.00 H new ATOM 557 N ASP A 54 -2.429 -12.705 -0.453 1.00 0.00 N ATOM 558 CA ASP A 54 -1.475 -13.375 -1.373 1.00 0.00 C ATOM 559 C ASP A 54 -2.181 -13.948 -2.617 1.00 0.00 C ATOM 560 O ASP A 54 -1.574 -14.072 -3.685 1.00 0.00 O ATOM 561 CB ASP A 54 -0.697 -14.484 -0.622 1.00 0.00 C ATOM 562 CG ASP A 54 -1.597 -15.630 -0.125 1.00 0.00 C ATOM 563 OD1 ASP A 54 -2.365 -15.421 0.840 1.00 0.00 O ATOM 564 OD2 ASP A 54 -1.549 -16.737 -0.698 1.00 0.00 O ATOM 0 H ASP A 54 -2.474 -13.136 0.471 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.768 -12.623 -1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.068 -14.892 -1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.180 -14.042 0.230 1.00 0.00 H new ATOM 569 N SER A 55 -3.460 -14.296 -2.440 1.00 0.00 N ATOM 570 CA SER A 55 -4.351 -14.760 -3.515 1.00 0.00 C ATOM 571 C SER A 55 -4.560 -13.655 -4.585 1.00 0.00 C ATOM 572 O SER A 55 -4.460 -13.918 -5.785 1.00 0.00 O ATOM 573 CB SER A 55 -5.698 -15.184 -2.896 1.00 0.00 C ATOM 574 OG SER A 55 -6.251 -14.138 -2.100 1.00 0.00 O ATOM 0 H SER A 55 -3.916 -14.263 -1.528 1.00 0.00 H new ATOM 0 HA SER A 55 -3.894 -15.613 -4.017 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.398 -15.450 -3.688 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.556 -16.074 -2.284 1.00 0.00 H new ATOM 0 HG SER A 55 -7.105 -14.432 -1.721 1.00 0.00 H new ATOM 580 N PHE A 56 -4.788 -12.408 -4.113 1.00 0.00 N ATOM 581 CA PHE A 56 -4.889 -11.199 -4.964 1.00 0.00 C ATOM 582 C PHE A 56 -3.542 -10.937 -5.655 1.00 0.00 C ATOM 583 O PHE A 56 -3.475 -10.666 -6.867 1.00 0.00 O ATOM 584 CB PHE A 56 -5.305 -9.968 -4.092 1.00 0.00 C ATOM 585 CG PHE A 56 -5.215 -8.614 -4.805 1.00 0.00 C ATOM 586 CD1 PHE A 56 -6.239 -8.174 -5.630 1.00 0.00 C ATOM 587 CD2 PHE A 56 -4.095 -7.789 -4.649 1.00 0.00 C ATOM 588 CE1 PHE A 56 -6.152 -6.961 -6.283 1.00 0.00 C ATOM 589 CE2 PHE A 56 -4.012 -6.580 -5.300 1.00 0.00 C ATOM 590 CZ PHE A 56 -5.038 -6.169 -6.117 1.00 0.00 C ATOM 0 H PHE A 56 -4.908 -12.210 -3.120 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.650 -11.357 -5.728 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.329 -10.114 -3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.672 -9.938 -3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.117 -8.789 -5.763 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.285 -8.106 -4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.957 -6.633 -6.924 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.141 -5.954 -5.169 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.970 -5.221 -6.631 1.00 0.00 H new ATOM 600 N LEU A 57 -2.476 -11.032 -4.846 1.00 0.00 N ATOM 601 CA LEU A 57 -1.101 -10.742 -5.268 1.00 0.00 C ATOM 602 C LEU A 57 -0.639 -11.717 -6.355 1.00 0.00 C ATOM 603 O LEU A 57 0.211 -11.373 -7.151 1.00 0.00 O ATOM 604 CB LEU A 57 -0.132 -10.780 -4.062 1.00 0.00 C ATOM 605 CG LEU A 57 -0.487 -9.833 -2.882 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.536 -9.963 -1.740 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.650 -8.369 -3.349 1.00 0.00 C ATOM 0 H LEU A 57 -2.548 -11.316 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.090 -9.736 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.091 -11.802 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.869 -10.531 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.455 -10.145 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.263 -9.289 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.543 -10.989 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.528 -9.703 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.898 -7.740 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.282 -8.024 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.450 -8.309 -4.087 1.00 0.00 H new ATOM 619 N ALA A 58 -1.171 -12.950 -6.338 1.00 0.00 N ATOM 620 CA ALA A 58 -0.885 -13.968 -7.366 1.00 0.00 C ATOM 621 C ALA A 58 -1.561 -13.603 -8.705 1.00 0.00 C ATOM 622 O ALA A 58 -0.923 -13.641 -9.761 1.00 0.00 O ATOM 623 CB ALA A 58 -1.350 -15.355 -6.884 1.00 0.00 C ATOM 0 H ALA A 58 -1.812 -13.271 -5.612 1.00 0.00 H new ATOM 0 HA ALA A 58 0.192 -13.998 -7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.134 -16.098 -7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.823 -15.617 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.423 -15.333 -6.693 1.00 0.00 H new ATOM 629 N GLU A 59 -2.864 -13.245 -8.635 1.00 0.00 N ATOM 630 CA GLU A 59 -3.674 -12.820 -9.812 1.00 0.00 C ATOM 631 C GLU A 59 -3.055 -11.591 -10.517 1.00 0.00 C ATOM 632 O GLU A 59 -3.111 -11.470 -11.742 1.00 0.00 O ATOM 633 CB GLU A 59 -5.126 -12.463 -9.379 1.00 0.00 C ATOM 634 CG GLU A 59 -5.881 -13.586 -8.658 1.00 0.00 C ATOM 635 CD GLU A 59 -7.282 -13.149 -8.190 1.00 0.00 C ATOM 636 OE1 GLU A 59 -7.395 -12.518 -7.108 1.00 0.00 O ATOM 637 OE2 GLU A 59 -8.270 -13.399 -8.918 1.00 0.00 O ATOM 0 H GLU A 59 -3.389 -13.241 -7.761 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.686 -13.660 -10.507 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.090 -11.591 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.693 -12.175 -10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.975 -14.443 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.300 -13.915 -7.797 1.00 0.00 H new ATOM 644 N HIS A 60 -2.474 -10.680 -9.719 1.00 0.00 N ATOM 645 CA HIS A 60 -1.936 -9.385 -10.210 1.00 0.00 C ATOM 646 C HIS A 60 -0.391 -9.364 -10.218 1.00 0.00 C ATOM 647 O HIS A 60 0.206 -8.365 -10.624 1.00 0.00 O ATOM 648 CB HIS A 60 -2.505 -8.224 -9.338 1.00 0.00 C ATOM 649 CG HIS A 60 -4.000 -8.055 -9.454 1.00 0.00 C ATOM 650 ND1 HIS A 60 -5.023 -8.834 -9.029 1.00 0.00 N flip ATOM 651 CD2 HIS A 60 -4.586 -6.975 -10.075 1.00 0.00 C flip ATOM 652 CE1 HIS A 60 -6.189 -8.216 -9.402 1.00 0.00 C flip ATOM 653 NE2 HIS A 60 -5.895 -7.097 -10.032 1.00 0.00 N flip ATOM 0 H HIS A 60 -2.360 -10.813 -8.714 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.255 -9.252 -11.244 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.249 -8.406 -8.294 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.019 -7.292 -9.628 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.052 -6.153 -10.528 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.185 -8.586 -9.211 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.568 -6.437 -10.421 1.00 0.00 H new ATOM 662 N LYS A 61 0.227 -10.476 -9.750 1.00 0.00 N ATOM 663 CA LYS A 61 1.706 -10.656 -9.672 1.00 0.00 C ATOM 664 C LYS A 61 2.405 -9.523 -8.894 1.00 0.00 C ATOM 665 O LYS A 61 3.505 -9.112 -9.243 1.00 0.00 O ATOM 666 CB LYS A 61 2.338 -10.880 -11.076 1.00 0.00 C ATOM 667 CG LYS A 61 1.954 -12.228 -11.711 1.00 0.00 C ATOM 668 CD LYS A 61 2.718 -12.500 -13.022 1.00 0.00 C ATOM 669 CE LYS A 61 2.395 -13.878 -13.625 1.00 0.00 C ATOM 670 NZ LYS A 61 3.243 -14.183 -14.801 1.00 0.00 N ATOM 0 H LYS A 61 -0.291 -11.287 -9.410 1.00 0.00 H new ATOM 0 HA LYS A 61 1.875 -11.566 -9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.027 -10.073 -11.739 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.423 -10.823 -10.991 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.157 -13.031 -11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.882 -12.241 -11.909 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.473 -11.724 -13.748 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.789 -12.433 -12.833 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.537 -14.648 -12.866 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.345 -13.909 -13.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.992 -15.120 -15.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.089 -13.463 -15.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.244 -14.180 -14.518 1.00 0.00 H new ATOM 684 N LEU A 62 1.760 -9.061 -7.809 1.00 0.00 N ATOM 685 CA LEU A 62 2.323 -8.029 -6.912 1.00 0.00 C ATOM 686 C LEU A 62 3.179 -8.665 -5.801 1.00 0.00 C ATOM 687 O LEU A 62 3.850 -7.948 -5.059 1.00 0.00 O ATOM 688 CB LEU A 62 1.191 -7.158 -6.298 1.00 0.00 C ATOM 689 CG LEU A 62 0.304 -6.366 -7.310 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.769 -5.537 -6.575 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.163 -5.475 -8.246 1.00 0.00 C ATOM 0 H LEU A 62 0.836 -9.389 -7.527 1.00 0.00 H new ATOM 0 HA LEU A 62 2.970 -7.385 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.542 -7.806 -5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.643 -6.445 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.209 -7.094 -7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.373 -4.995 -7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.409 -6.202 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.284 -4.826 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.512 -4.939 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.727 -4.759 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.854 -6.101 -8.811 1.00 0.00 H new ATOM 703 N LEU A 63 3.148 -10.014 -5.681 1.00 0.00 N ATOM 704 CA LEU A 63 4.016 -10.752 -4.728 1.00 0.00 C ATOM 705 C LEU A 63 5.439 -10.928 -5.293 1.00 0.00 C ATOM 706 O LEU A 63 5.677 -10.729 -6.494 1.00 0.00 O ATOM 707 CB LEU A 63 3.371 -12.122 -4.299 1.00 0.00 C ATOM 708 CG LEU A 63 2.696 -13.011 -5.409 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.681 -13.494 -6.493 1.00 0.00 C ATOM 710 CD2 LEU A 63 1.935 -14.204 -4.774 1.00 0.00 C ATOM 0 H LEU A 63 2.533 -10.614 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 63 4.103 -10.152 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.148 -12.720 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.618 -11.911 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 63 1.980 -12.368 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.148 -14.101 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.125 -12.632 -6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.467 -14.091 -6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.477 -14.804 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.633 -14.821 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.160 -13.827 -4.107 1.00 0.00 H new ATOM 722 N GLY A 64 6.360 -11.330 -4.406 1.00 0.00 N ATOM 723 CA GLY A 64 7.763 -11.538 -4.762 1.00 0.00 C ATOM 724 C GLY A 64 8.605 -10.296 -4.523 1.00 0.00 C ATOM 725 O GLY A 64 8.140 -9.339 -3.886 1.00 0.00 O ATOM 0 H GLY A 64 6.150 -11.519 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.166 -12.366 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.831 -11.825 -5.811 1.00 0.00 H new ATOM 729 N ASN A 65 9.852 -10.313 -5.037 1.00 0.00 N ATOM 730 CA ASN A 65 10.792 -9.188 -4.910 1.00 0.00 C ATOM 731 C ASN A 65 10.202 -7.946 -5.580 1.00 0.00 C ATOM 732 O ASN A 65 9.899 -7.967 -6.770 1.00 0.00 O ATOM 733 CB ASN A 65 12.183 -9.547 -5.498 1.00 0.00 C ATOM 734 CG ASN A 65 12.946 -10.599 -4.672 1.00 0.00 C ATOM 735 OD1 ASN A 65 12.866 -10.515 -3.340 1.00 0.00 O flip ATOM 736 ND2 ASN A 65 13.643 -11.453 -5.224 1.00 0.00 N flip ATOM 0 H ASN A 65 10.232 -11.108 -5.551 1.00 0.00 H new ATOM 0 HA ASN A 65 10.942 -8.973 -3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.054 -9.918 -6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.786 -8.641 -5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.687 -11.496 -6.242 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.176 -12.117 -4.663 1.00 0.00 H new ATOM 743 N ILE A 66 10.030 -6.887 -4.787 1.00 0.00 N ATOM 744 CA ILE A 66 9.236 -5.701 -5.155 1.00 0.00 C ATOM 745 C ILE A 66 9.814 -4.992 -6.400 1.00 0.00 C ATOM 746 O ILE A 66 9.074 -4.672 -7.330 1.00 0.00 O ATOM 747 CB ILE A 66 9.170 -4.698 -3.946 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.795 -5.442 -2.631 1.00 0.00 C ATOM 749 CG2 ILE A 66 8.177 -3.552 -4.227 1.00 0.00 C ATOM 750 CD1 ILE A 66 8.915 -4.617 -1.359 1.00 0.00 C ATOM 0 H ILE A 66 10.442 -6.823 -3.856 1.00 0.00 H new ATOM 0 HA ILE A 66 8.229 -6.039 -5.401 1.00 0.00 H new ATOM 0 HB ILE A 66 10.160 -4.260 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.769 -5.801 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.433 -6.321 -2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.153 -2.874 -3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.494 -3.006 -5.115 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.182 -3.965 -4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.631 -5.227 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.945 -4.280 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.255 -3.752 -1.423 1.00 0.00 H new ATOM 762 N LYS A 67 11.144 -4.764 -6.391 1.00 0.00 N ATOM 763 CA LYS A 67 11.883 -4.141 -7.521 1.00 0.00 C ATOM 764 C LYS A 67 11.800 -5.016 -8.803 1.00 0.00 C ATOM 765 O LYS A 67 11.788 -4.498 -9.931 1.00 0.00 O ATOM 766 CB LYS A 67 13.363 -3.839 -7.090 1.00 0.00 C ATOM 767 CG LYS A 67 14.199 -5.051 -6.574 1.00 0.00 C ATOM 768 CD LYS A 67 14.885 -5.866 -7.698 1.00 0.00 C ATOM 769 CE LYS A 67 15.614 -7.118 -7.184 1.00 0.00 C ATOM 770 NZ LYS A 67 16.301 -7.838 -8.289 1.00 0.00 N ATOM 0 H LYS A 67 11.741 -5.006 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 67 11.412 -3.191 -7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.884 -3.403 -7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.342 -3.081 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.962 -4.687 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.547 -5.713 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.135 -6.166 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.599 -5.226 -8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.343 -6.831 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.899 -7.785 -6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.783 -8.678 -7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.601 -8.132 -9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.000 -7.208 -8.732 1.00 0.00 H new ATOM 784 N ASN A 68 11.729 -6.346 -8.594 1.00 0.00 N ATOM 785 CA ASN A 68 11.609 -7.359 -9.671 1.00 0.00 C ATOM 786 C ASN A 68 10.219 -7.285 -10.333 1.00 0.00 C ATOM 787 O ASN A 68 10.082 -7.490 -11.540 1.00 0.00 O ATOM 788 CB ASN A 68 11.877 -8.768 -9.073 1.00 0.00 C ATOM 789 CG ASN A 68 11.650 -9.943 -10.035 1.00 0.00 C ATOM 790 OD1 ASN A 68 12.563 -10.366 -10.743 1.00 0.00 O ATOM 791 ND2 ASN A 68 10.437 -10.488 -10.056 1.00 0.00 N ATOM 0 H ASN A 68 11.753 -6.756 -7.660 1.00 0.00 H new ATOM 0 HA ASN A 68 12.348 -7.159 -10.447 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.907 -8.804 -8.718 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.235 -8.903 -8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.244 -11.279 -10.671 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.700 -10.115 -9.457 1.00 0.00 H new ATOM 798 N VAL A 69 9.193 -7.005 -9.511 1.00 0.00 N ATOM 799 CA VAL A 69 7.826 -6.733 -9.991 1.00 0.00 C ATOM 800 C VAL A 69 7.778 -5.331 -10.648 1.00 0.00 C ATOM 801 O VAL A 69 7.099 -5.117 -11.653 1.00 0.00 O ATOM 802 CB VAL A 69 6.775 -6.798 -8.813 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.329 -6.586 -9.327 1.00 0.00 C ATOM 804 CG2 VAL A 69 6.892 -8.123 -8.021 1.00 0.00 C ATOM 0 H VAL A 69 9.287 -6.961 -8.496 1.00 0.00 H new ATOM 0 HA VAL A 69 7.565 -7.499 -10.721 1.00 0.00 H new ATOM 0 HB VAL A 69 7.007 -5.980 -8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.634 -6.637 -8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.252 -5.609 -9.803 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.083 -7.363 -10.051 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.154 -8.134 -7.219 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.712 -8.964 -8.690 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.892 -8.206 -7.596 1.00 0.00 H new ATOM 814 N ALA A 70 8.565 -4.401 -10.087 1.00 0.00 N ATOM 815 CA ALA A 70 8.582 -2.978 -10.484 1.00 0.00 C ATOM 816 C ALA A 70 9.273 -2.738 -11.839 1.00 0.00 C ATOM 817 O ALA A 70 9.268 -1.611 -12.331 1.00 0.00 O ATOM 818 CB ALA A 70 9.232 -2.140 -9.366 1.00 0.00 C ATOM 0 H ALA A 70 9.218 -4.615 -9.334 1.00 0.00 H new ATOM 0 HA ALA A 70 7.548 -2.661 -10.621 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.245 -1.090 -9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.658 -2.253 -8.446 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.253 -2.483 -9.201 1.00 0.00 H new ATOM 824 N LYS A 71 9.890 -3.770 -12.435 1.00 0.00 N ATOM 825 CA LYS A 71 10.455 -3.666 -13.799 1.00 0.00 C ATOM 826 C LYS A 71 9.500 -4.226 -14.871 1.00 0.00 C ATOM 827 O LYS A 71 9.543 -3.784 -16.024 1.00 0.00 O ATOM 828 CB LYS A 71 11.847 -4.349 -13.886 1.00 0.00 C ATOM 829 CG LYS A 71 11.854 -5.875 -13.644 1.00 0.00 C ATOM 830 CD LYS A 71 13.246 -6.510 -13.875 1.00 0.00 C ATOM 831 CE LYS A 71 13.717 -6.406 -15.335 1.00 0.00 C ATOM 832 NZ LYS A 71 15.051 -7.016 -15.540 1.00 0.00 N ATOM 0 H LYS A 71 10.013 -4.684 -12.000 1.00 0.00 H new ATOM 0 HA LYS A 71 10.583 -2.603 -14.006 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.268 -4.153 -14.872 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.509 -3.880 -13.158 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.531 -6.078 -12.623 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.129 -6.347 -14.307 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.974 -6.021 -13.228 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.214 -7.560 -13.583 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.992 -6.897 -15.984 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.750 -5.357 -15.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.326 -6.922 -16.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.750 -6.532 -14.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.015 -8.023 -15.285 1.00 0.00 H new ATOM 846 N THR A 72 8.623 -5.179 -14.489 1.00 0.00 N ATOM 847 CA THR A 72 7.853 -6.002 -15.454 1.00 0.00 C ATOM 848 C THR A 72 6.335 -5.695 -15.427 1.00 0.00 C ATOM 849 O THR A 72 5.672 -5.708 -16.469 1.00 0.00 O ATOM 850 CB THR A 72 8.112 -7.526 -15.187 1.00 0.00 C ATOM 851 OG1 THR A 72 7.417 -8.324 -16.155 1.00 0.00 O ATOM 852 CG2 THR A 72 7.701 -7.974 -13.767 1.00 0.00 C ATOM 0 H THR A 72 8.428 -5.400 -13.513 1.00 0.00 H new ATOM 0 HA THR A 72 8.205 -5.742 -16.452 1.00 0.00 H new ATOM 0 HB THR A 72 9.189 -7.673 -15.274 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.587 -9.273 -15.979 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.906 -9.038 -13.647 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.270 -7.410 -13.028 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.636 -7.791 -13.622 1.00 0.00 H new ATOM 860 N ALA A 73 5.799 -5.421 -14.233 1.00 0.00 N ATOM 861 CA ALA A 73 4.387 -5.057 -14.030 1.00 0.00 C ATOM 862 C ALA A 73 4.278 -3.533 -14.106 1.00 0.00 C ATOM 863 O ALA A 73 4.665 -2.837 -13.165 1.00 0.00 O ATOM 864 CB ALA A 73 3.877 -5.608 -12.683 1.00 0.00 C ATOM 0 H ALA A 73 6.338 -5.445 -13.367 1.00 0.00 H new ATOM 0 HA ALA A 73 3.759 -5.499 -14.803 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.832 -5.330 -12.549 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.967 -6.694 -12.677 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.471 -5.190 -11.870 1.00 0.00 H new ATOM 870 N ASN A 74 3.793 -3.032 -15.258 1.00 0.00 N ATOM 871 CA ASN A 74 3.817 -1.588 -15.608 1.00 0.00 C ATOM 872 C ASN A 74 2.918 -0.752 -14.679 1.00 0.00 C ATOM 873 O ASN A 74 2.098 -1.300 -13.946 1.00 0.00 O ATOM 874 CB ASN A 74 3.414 -1.380 -17.094 1.00 0.00 C ATOM 875 CG ASN A 74 1.951 -1.712 -17.380 1.00 0.00 C ATOM 876 OD1 ASN A 74 1.079 -0.857 -17.287 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.674 -2.958 -17.713 1.00 0.00 N ATOM 0 H ASN A 74 3.370 -3.616 -15.980 1.00 0.00 H new ATOM 0 HA ASN A 74 4.840 -1.237 -15.468 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.604 -0.343 -17.372 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.050 -2.001 -17.725 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.710 -3.233 -17.902 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.424 -3.646 -17.782 1.00 0.00 H new ATOM 884 N LYS A 75 3.065 0.584 -14.744 1.00 0.00 N ATOM 885 CA LYS A 75 2.371 1.513 -13.829 1.00 0.00 C ATOM 886 C LYS A 75 0.830 1.447 -13.983 1.00 0.00 C ATOM 887 O LYS A 75 0.109 1.469 -12.977 1.00 0.00 O ATOM 888 CB LYS A 75 2.871 2.959 -14.046 1.00 0.00 C ATOM 889 CG LYS A 75 2.239 3.991 -13.084 1.00 0.00 C ATOM 890 CD LYS A 75 2.585 3.724 -11.599 1.00 0.00 C ATOM 891 CE LYS A 75 4.057 4.010 -11.258 1.00 0.00 C ATOM 892 NZ LYS A 75 4.406 5.446 -11.406 1.00 0.00 N ATOM 0 H LYS A 75 3.664 1.049 -15.427 1.00 0.00 H new ATOM 0 HA LYS A 75 2.609 1.200 -12.812 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.954 2.980 -13.926 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.658 3.256 -15.073 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.579 4.990 -13.357 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.156 3.979 -13.207 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.946 4.341 -10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.359 2.684 -11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.257 3.694 -10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.699 3.414 -11.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.258 5.655 -10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.588 5.658 -12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.617 6.032 -11.066 1.00 0.00 H new ATOM 906 N ASP A 76 0.345 1.360 -15.238 1.00 0.00 N ATOM 907 CA ASP A 76 -1.110 1.257 -15.554 1.00 0.00 C ATOM 908 C ASP A 76 -1.724 -0.014 -14.914 1.00 0.00 C ATOM 909 O ASP A 76 -2.861 0.007 -14.414 1.00 0.00 O ATOM 910 CB ASP A 76 -1.310 1.259 -17.099 1.00 0.00 C ATOM 911 CG ASP A 76 -2.762 0.986 -17.552 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.600 1.918 -17.519 1.00 0.00 O ATOM 913 OD2 ASP A 76 -3.071 -0.160 -17.958 1.00 0.00 O ATOM 0 H ASP A 76 0.942 1.358 -16.065 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.628 2.119 -15.132 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.994 2.225 -17.493 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.657 0.506 -17.539 1.00 0.00 H new ATOM 918 N HIS A 77 -0.925 -1.099 -14.907 1.00 0.00 N ATOM 919 CA HIS A 77 -1.247 -2.392 -14.266 1.00 0.00 C ATOM 920 C HIS A 77 -1.380 -2.218 -12.732 1.00 0.00 C ATOM 921 O HIS A 77 -2.261 -2.821 -12.107 1.00 0.00 O ATOM 922 CB HIS A 77 -0.122 -3.413 -14.627 1.00 0.00 C ATOM 923 CG HIS A 77 -0.264 -4.809 -14.077 1.00 0.00 C ATOM 924 ND1 HIS A 77 -0.751 -5.851 -14.826 1.00 0.00 N ATOM 925 CD2 HIS A 77 0.087 -5.345 -12.882 1.00 0.00 C ATOM 926 CE1 HIS A 77 -0.691 -6.959 -14.131 1.00 0.00 C ATOM 927 NE2 HIS A 77 -0.185 -6.685 -12.943 1.00 0.00 N ATOM 0 H HIS A 77 -0.011 -1.101 -15.360 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.204 -2.766 -14.631 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -0.062 -3.481 -15.713 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.828 -3.007 -14.280 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.504 -4.814 -12.039 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.003 -7.935 -14.473 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.024 -7.360 -12.195 1.00 0.00 H new ATOM 936 N LEU A 78 -0.489 -1.390 -12.147 1.00 0.00 N ATOM 937 CA LEU A 78 -0.439 -1.144 -10.681 1.00 0.00 C ATOM 938 C LEU A 78 -1.644 -0.325 -10.196 1.00 0.00 C ATOM 939 O LEU A 78 -2.169 -0.570 -9.109 1.00 0.00 O ATOM 940 CB LEU A 78 0.862 -0.401 -10.269 1.00 0.00 C ATOM 941 CG LEU A 78 2.194 -1.009 -10.783 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.403 -0.223 -10.244 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.297 -2.523 -10.478 1.00 0.00 C ATOM 0 H LEU A 78 0.216 -0.872 -12.671 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.461 -2.127 -10.211 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.796 0.627 -10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.902 -0.360 -9.181 1.00 0.00 H new ATOM 0 HG LEU A 78 2.202 -0.915 -11.869 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.324 -0.670 -10.619 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.341 0.813 -10.576 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.402 -0.255 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.245 -2.907 -10.855 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.244 -2.682 -9.401 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.474 -3.049 -10.963 1.00 0.00 H new ATOM 955 N VAL A 79 -2.045 0.665 -11.018 1.00 0.00 N ATOM 956 CA VAL A 79 -3.188 1.558 -10.739 1.00 0.00 C ATOM 957 C VAL A 79 -4.503 0.751 -10.713 1.00 0.00 C ATOM 958 O VAL A 79 -5.314 0.894 -9.795 1.00 0.00 O ATOM 959 CB VAL A 79 -3.273 2.724 -11.806 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.556 3.579 -11.631 1.00 0.00 C ATOM 961 CG2 VAL A 79 -2.000 3.616 -11.745 1.00 0.00 C ATOM 0 H VAL A 79 -1.580 0.869 -11.903 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.035 2.011 -9.759 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.327 2.261 -12.792 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.573 4.367 -12.384 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.435 2.945 -11.749 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.562 4.026 -10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.077 4.412 -12.486 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.910 4.053 -10.751 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.120 3.009 -11.956 1.00 0.00 H new ATOM 971 N THR A 80 -4.679 -0.121 -11.719 1.00 0.00 N ATOM 972 CA THR A 80 -5.852 -1.015 -11.826 1.00 0.00 C ATOM 973 C THR A 80 -5.924 -1.993 -10.627 1.00 0.00 C ATOM 974 O THR A 80 -7.002 -2.198 -10.048 1.00 0.00 O ATOM 975 CB THR A 80 -5.807 -1.813 -13.167 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.702 -0.892 -14.266 1.00 0.00 O ATOM 977 CG2 THR A 80 -7.052 -2.706 -13.364 1.00 0.00 C ATOM 0 H THR A 80 -4.013 -0.229 -12.484 1.00 0.00 H new ATOM 0 HA THR A 80 -6.748 -0.394 -11.811 1.00 0.00 H new ATOM 0 HB THR A 80 -4.937 -2.468 -13.129 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.777 -0.576 -14.341 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.971 -3.239 -14.311 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.117 -3.425 -12.547 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.948 -2.085 -13.373 1.00 0.00 H new ATOM 985 N ALA A 81 -4.761 -2.552 -10.245 1.00 0.00 N ATOM 986 CA ALA A 81 -4.634 -3.467 -9.093 1.00 0.00 C ATOM 987 C ALA A 81 -5.005 -2.752 -7.783 1.00 0.00 C ATOM 988 O ALA A 81 -5.741 -3.294 -6.950 1.00 0.00 O ATOM 989 CB ALA A 81 -3.198 -4.016 -9.014 1.00 0.00 C ATOM 0 H ALA A 81 -3.879 -2.382 -10.728 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.325 -4.298 -9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.113 -4.690 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.965 -4.558 -9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.498 -3.189 -8.894 1.00 0.00 H new ATOM 995 N TYR A 82 -4.505 -1.508 -7.655 1.00 0.00 N ATOM 996 CA TYR A 82 -4.745 -0.621 -6.504 1.00 0.00 C ATOM 997 C TYR A 82 -6.256 -0.482 -6.235 1.00 0.00 C ATOM 998 O TYR A 82 -6.735 -0.888 -5.179 1.00 0.00 O ATOM 999 CB TYR A 82 -4.048 0.760 -6.787 1.00 0.00 C ATOM 1000 CG TYR A 82 -4.491 1.948 -5.921 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -5.559 2.760 -6.327 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -3.852 2.273 -4.719 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -5.978 3.824 -5.579 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -4.278 3.349 -3.954 1.00 0.00 C ATOM 1005 CZ TYR A 82 -5.346 4.117 -4.400 1.00 0.00 C ATOM 1006 OH TYR A 82 -5.784 5.190 -3.669 1.00 0.00 O ATOM 0 H TYR A 82 -3.910 -1.084 -8.366 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.313 -1.043 -5.597 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.973 0.630 -6.662 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.218 1.019 -7.832 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.064 2.539 -7.256 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.016 1.678 -4.382 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.805 4.432 -5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.785 3.587 -3.023 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.744 5.319 -3.821 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.999 -0.015 -7.250 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.424 0.358 -7.098 1.00 0.00 C ATOM 1018 C ASN A 83 -9.316 -0.853 -6.753 1.00 0.00 C ATOM 1019 O ASN A 83 -10.167 -0.769 -5.857 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.955 1.083 -8.365 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.447 2.523 -8.488 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -9.017 3.439 -7.908 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.382 2.740 -9.247 1.00 0.00 N ATOM 0 H ASN A 83 -6.637 0.116 -8.195 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.475 1.049 -6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.656 0.521 -9.250 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.045 1.089 -8.344 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.019 3.687 -9.358 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.925 1.960 -9.720 1.00 0.00 H new ATOM 1030 N HIS A 84 -9.086 -1.975 -7.450 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.865 -3.222 -7.279 1.00 0.00 C ATOM 1032 C HIS A 84 -9.563 -3.915 -5.933 1.00 0.00 C ATOM 1033 O HIS A 84 -10.407 -4.674 -5.432 1.00 0.00 O ATOM 1034 CB HIS A 84 -9.638 -4.180 -8.477 1.00 0.00 C ATOM 1035 CG HIS A 84 -10.295 -3.708 -9.750 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -11.662 -3.656 -9.904 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -9.780 -3.256 -10.914 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -11.955 -3.196 -11.100 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.831 -2.945 -11.737 1.00 0.00 N ATOM 0 H HIS A 84 -8.351 -2.049 -8.154 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.920 -2.949 -7.259 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.567 -4.290 -8.648 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.023 -5.167 -8.222 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -12.344 -3.932 -9.197 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.731 -3.158 -11.153 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.950 -3.049 -11.493 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.365 -3.657 -5.353 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.982 -4.184 -4.019 1.00 0.00 C ATOM 1050 C LEU A 85 -8.972 -3.719 -2.942 1.00 0.00 C ATOM 1051 O LEU A 85 -9.536 -4.518 -2.183 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.557 -3.695 -3.624 1.00 0.00 C ATOM 1053 CG LEU A 85 -5.942 -4.285 -2.310 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -6.068 -5.820 -2.262 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.469 -3.842 -2.148 1.00 0.00 C ATOM 0 H LEU A 85 -7.644 -3.084 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.995 -5.272 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.880 -3.923 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.586 -2.610 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.513 -3.887 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.630 -6.192 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.121 -6.100 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.542 -6.255 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.061 -4.263 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.887 -4.196 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.419 -2.754 -2.102 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.154 -2.396 -2.908 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.025 -1.723 -1.944 1.00 0.00 C ATOM 1069 C PHE A 86 -11.499 -1.968 -2.277 1.00 0.00 C ATOM 1070 O PHE A 86 -12.318 -2.139 -1.370 1.00 0.00 O ATOM 1071 CB PHE A 86 -9.725 -0.208 -1.921 1.00 0.00 C ATOM 1072 CG PHE A 86 -8.251 0.136 -1.706 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -7.627 0.005 -0.464 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -7.494 0.598 -2.759 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -6.289 0.348 -0.305 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.180 0.931 -2.594 1.00 0.00 C ATOM 1077 CZ PHE A 86 -5.572 0.811 -1.373 1.00 0.00 C ATOM 0 H PHE A 86 -8.695 -1.756 -3.557 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.826 -2.137 -0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.055 0.231 -2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.314 0.256 -1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.189 -0.366 0.381 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.948 0.699 -3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.817 0.249 0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.613 1.294 -3.438 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.533 1.080 -1.254 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.806 -2.015 -3.589 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.186 -2.067 -4.101 1.00 0.00 C ATOM 1089 C GLU A 87 -13.951 -3.298 -3.586 1.00 0.00 C ATOM 1090 O GLU A 87 -15.066 -3.171 -3.074 1.00 0.00 O ATOM 1091 CB GLU A 87 -13.181 -2.073 -5.653 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.576 -2.189 -6.301 1.00 0.00 C ATOM 1093 CD GLU A 87 -14.528 -2.288 -7.833 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -14.266 -3.392 -8.361 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -14.735 -1.268 -8.518 1.00 0.00 O ATOM 0 H GLU A 87 -11.099 -2.018 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.698 -1.178 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.707 -1.157 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.565 -2.903 -5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.082 -3.068 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.173 -1.322 -6.018 1.00 0.00 H new ATOM 1102 N THR A 88 -13.335 -4.481 -3.692 1.00 0.00 N ATOM 1103 CA THR A 88 -13.948 -5.753 -3.265 1.00 0.00 C ATOM 1104 C THR A 88 -13.257 -6.321 -2.008 1.00 0.00 C ATOM 1105 O THR A 88 -13.447 -7.500 -1.681 1.00 0.00 O ATOM 1106 CB THR A 88 -13.930 -6.787 -4.439 1.00 0.00 C ATOM 1107 OG1 THR A 88 -12.624 -6.825 -5.029 1.00 0.00 O ATOM 1108 CG2 THR A 88 -14.980 -6.456 -5.522 1.00 0.00 C ATOM 0 H THR A 88 -12.396 -4.588 -4.076 1.00 0.00 H new ATOM 0 HA THR A 88 -14.986 -5.555 -2.998 1.00 0.00 H new ATOM 0 HB THR A 88 -14.182 -7.762 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.685 -6.578 -5.975 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.930 -7.201 -6.316 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.976 -6.464 -5.078 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.776 -5.469 -5.937 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.476 -5.457 -1.304 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.894 -5.762 0.031 1.00 0.00 C ATOM 1118 C LYS A 89 -11.009 -7.033 0.001 1.00 0.00 C ATOM 1119 O LYS A 89 -10.963 -7.803 0.965 1.00 0.00 O ATOM 1120 CB LYS A 89 -13.033 -5.875 1.094 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.913 -4.612 1.235 1.00 0.00 C ATOM 1122 CD LYS A 89 -13.111 -3.376 1.696 1.00 0.00 C ATOM 1123 CE LYS A 89 -13.970 -2.109 1.779 1.00 0.00 C ATOM 1124 NZ LYS A 89 -14.515 -1.718 0.453 1.00 0.00 N ATOM 0 H LYS A 89 -12.232 -4.528 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.237 -4.939 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.672 -6.719 0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.586 -6.100 2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.387 -4.396 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.712 -4.809 1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.672 -3.577 2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.286 -3.205 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.793 -2.274 2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.372 -1.291 2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.822 -0.725 0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.778 -1.831 -0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.327 -2.324 0.219 1.00 0.00 H new ATOM 1138 N ARG A 90 -10.271 -7.197 -1.110 1.00 0.00 N ATOM 1139 CA ARG A 90 -9.414 -8.377 -1.372 1.00 0.00 C ATOM 1140 C ARG A 90 -8.162 -8.418 -0.471 1.00 0.00 C ATOM 1141 O ARG A 90 -7.410 -9.390 -0.500 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.998 -8.384 -2.857 1.00 0.00 C ATOM 1143 CG ARG A 90 -10.174 -8.544 -3.831 1.00 0.00 C ATOM 1144 CD ARG A 90 -9.718 -8.509 -5.293 1.00 0.00 C ATOM 1145 NE ARG A 90 -10.788 -8.921 -6.214 1.00 0.00 N ATOM 1146 CZ ARG A 90 -10.750 -9.998 -7.019 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -9.713 -10.834 -6.995 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -11.763 -10.245 -7.832 1.00 0.00 N ATOM 0 H ARG A 90 -10.249 -6.509 -1.863 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.998 -9.267 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.476 -7.454 -3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.289 -9.195 -3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.683 -9.487 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.899 -7.748 -3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.390 -7.501 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.857 -9.166 -5.420 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.628 -8.343 -6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.933 -10.662 -6.360 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.699 -11.647 -7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.569 -9.620 -7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.738 -11.060 -8.444 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.929 -7.333 0.277 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.860 -7.265 1.282 1.00 0.00 C ATOM 1164 C PHE A 91 -7.244 -8.020 2.565 1.00 0.00 C ATOM 1165 O PHE A 91 -8.428 -8.205 2.859 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.467 -5.789 1.585 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.596 -4.823 1.964 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.215 -4.876 3.215 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -8.010 -3.835 1.075 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.209 -3.981 3.556 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -9.001 -2.941 1.419 1.00 0.00 C ATOM 1172 CZ PHE A 91 -9.602 -3.013 2.657 1.00 0.00 C ATOM 0 H PHE A 91 -8.477 -6.476 0.203 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.984 -7.761 0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.740 -5.794 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.961 -5.388 0.707 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.911 -5.629 3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.548 -3.768 0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -9.679 -4.039 4.527 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.308 -2.181 0.716 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.380 -2.312 2.922 1.00 0.00 H new ATOM 1182 N LYS A 92 -6.221 -8.423 3.323 1.00 0.00 N ATOM 1183 CA LYS A 92 -6.368 -9.167 4.580 1.00 0.00 C ATOM 1184 C LYS A 92 -5.369 -8.557 5.587 1.00 0.00 C ATOM 1185 O LYS A 92 -4.156 -8.661 5.349 1.00 0.00 O ATOM 1186 CB LYS A 92 -6.117 -10.697 4.325 1.00 0.00 C ATOM 1187 CG LYS A 92 -6.687 -11.672 5.396 1.00 0.00 C ATOM 1188 CD LYS A 92 -5.881 -11.722 6.716 1.00 0.00 C ATOM 1189 CE LYS A 92 -6.500 -12.680 7.755 1.00 0.00 C ATOM 1190 NZ LYS A 92 -5.658 -12.804 8.974 1.00 0.00 N ATOM 1191 OXT LYS A 92 -5.799 -7.935 6.581 1.00 0.00 O ATOM 0 H LYS A 92 -5.248 -8.239 3.077 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.376 -9.087 4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.548 -10.959 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.042 -10.860 4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.713 -11.382 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.726 -12.675 4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.859 -12.036 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -5.824 -10.720 7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.490 -12.320 8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.633 -13.664 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.112 -13.457 9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.721 -13.172 8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.551 -11.870 9.419 1.00 0.00 H new