USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 988 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 128 CYS SG : rot -83:sc= 0.00706 USER MOD Set 1.2: A 129 GLN :FLIP amide:sc= -6.13! C(o=-9.5!,f=-6.1!) USER MOD Set 2.1: A 19 CYS SG : rot 40:sc= -0.523! USER MOD Set 2.2: A 106 TYR OH : rot -175:sc= 0.876 USER MOD Set 3.1: A 86 ASN :FLIP amide:sc= -5.48! C(o=-12!,f=-5.5!) USER MOD Set 3.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 44 THR OG1 : rot 121:sc= -2.38! USER MOD Set 4.2: A 47 LYS NZ :NH3+ -140:sc= 0.559 (180deg=0) USER MOD Set 4.3: A 98 TYR OH : rot 165:sc= -5.43! USER MOD Single : A 11 CYS SG : rot -107:sc= -12.4! USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00143 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -1.26 F(o=-3.3!,f=-1.3) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -3.71! C(o=-8.1!,f=-3.7!) USER MOD Single : A 59 THR OG1 : rot -70:sc= -3.07! USER MOD Single : A 64 THR OG1 : rot 47:sc= -3.36! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -6.55! C(o=-6.6!,f=-16!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -135:sc= -0.692 (180deg=-3.73!) USER MOD Single : A 113 SER OG : rot 88:sc= 0.305 USER MOD Single : A 114 HIS :FLIP no HD1:sc= -1.63! C(o=-2.3!,f=-1.6!) USER MOD Single : A 116 HIS : no HD1:sc= -2.36! C(o=-2.4!,f=-4.2!) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -116:sc= -1.51 (180deg=-7.13!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 GLN :FLIP amide:sc= -0.016 F(o=-1.8!,f=-0.016) USER MOD Single : A 144 HIS : no HE2:sc= -13.9! C(o=-14!,f=-20!) USER MOD Single : A 145 GLN : amide:sc= -0.0637 X(o=-0.064,f=-0.43) USER MOD Single : A 148 CYS SG : rot 74:sc= 0.402 USER MOD Single : A 149 SER OG : rot -43:sc= 0.0508 USER MOD ----------------------------------------------------------------- ATOM 105 N ARG A 9 11.606 -3.905 -6.628 1.00 0.00 N ATOM 106 CA ARG A 9 10.863 -2.747 -7.181 1.00 0.00 C ATOM 107 C ARG A 9 9.922 -3.270 -8.266 1.00 0.00 C ATOM 108 O ARG A 9 10.348 -3.866 -9.236 1.00 0.00 O ATOM 109 CB ARG A 9 11.848 -1.717 -7.750 1.00 0.00 C ATOM 110 CG ARG A 9 11.750 -1.648 -9.276 1.00 0.00 C ATOM 111 CD ARG A 9 12.683 -0.551 -9.791 1.00 0.00 C ATOM 112 NE ARG A 9 14.098 -0.973 -9.595 1.00 0.00 N ATOM 113 CZ ARG A 9 15.058 -0.093 -9.665 1.00 0.00 C ATOM 114 NH1 ARG A 9 14.782 1.161 -9.906 1.00 0.00 N ATOM 115 NH2 ARG A 9 16.294 -0.468 -9.492 1.00 0.00 N ATOM 0 HA ARG A 9 10.283 -2.250 -6.403 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.640 -0.736 -7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.865 -1.982 -7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.022 -2.608 -9.714 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.723 -1.440 -9.577 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.491 -0.362 -10.847 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.493 0.382 -9.260 1.00 0.00 H new ATOM 0 HE ARG A 9 14.316 -1.951 -9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.814 1.454 -10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.534 1.847 -9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.508 -1.447 -9.303 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.047 0.218 -9.546 1.00 0.00 H new ATOM 129 N ALA A 10 8.648 -3.072 -8.104 1.00 0.00 N ATOM 130 CA ALA A 10 7.685 -3.574 -9.123 1.00 0.00 C ATOM 131 C ALA A 10 7.044 -2.389 -9.827 1.00 0.00 C ATOM 132 O ALA A 10 7.237 -1.250 -9.452 1.00 0.00 O ATOM 133 CB ALA A 10 6.599 -4.420 -8.447 1.00 0.00 C ATOM 0 H ALA A 10 8.229 -2.585 -7.312 1.00 0.00 H new ATOM 0 HA ALA A 10 8.214 -4.193 -9.848 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.899 -4.783 -9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.061 -5.268 -7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.064 -3.811 -7.718 1.00 0.00 H new ATOM 139 N CYS A 11 6.297 -2.642 -10.856 1.00 0.00 N ATOM 140 CA CYS A 11 5.657 -1.530 -11.592 1.00 0.00 C ATOM 141 C CYS A 11 4.255 -1.957 -12.029 1.00 0.00 C ATOM 142 O CYS A 11 4.010 -3.114 -12.315 1.00 0.00 O ATOM 143 CB CYS A 11 6.528 -1.186 -12.800 1.00 0.00 C ATOM 144 SG CYS A 11 8.093 -2.085 -12.681 1.00 0.00 S ATOM 0 H CYS A 11 6.102 -3.575 -11.220 1.00 0.00 H new ATOM 0 HA CYS A 11 5.563 -0.648 -10.959 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.012 -1.451 -13.723 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.713 -0.112 -12.836 1.00 0.00 H new ATOM 0 HG CYS A 11 9.046 -1.258 -12.369 1.00 0.00 H new ATOM 150 N GLY A 12 3.324 -1.040 -12.069 1.00 0.00 N ATOM 151 CA GLY A 12 1.936 -1.410 -12.473 1.00 0.00 C ATOM 152 C GLY A 12 1.257 -0.235 -13.178 1.00 0.00 C ATOM 153 O GLY A 12 1.816 0.835 -13.304 1.00 0.00 O ATOM 0 H GLY A 12 3.464 -0.056 -11.841 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.961 -2.275 -13.136 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.359 -1.698 -11.594 1.00 0.00 H new ATOM 157 N LEU A 13 0.050 -0.433 -13.640 1.00 0.00 N ATOM 158 CA LEU A 13 -0.672 0.663 -14.340 1.00 0.00 C ATOM 159 C LEU A 13 -1.926 1.060 -13.572 1.00 0.00 C ATOM 160 O LEU A 13 -2.792 0.243 -13.328 1.00 0.00 O ATOM 161 CB LEU A 13 -1.151 0.191 -15.716 1.00 0.00 C ATOM 162 CG LEU A 13 0.019 -0.150 -16.628 1.00 0.00 C ATOM 163 CD1 LEU A 13 -0.537 -0.477 -18.019 1.00 0.00 C ATOM 164 CD2 LEU A 13 0.954 1.050 -16.729 1.00 0.00 C ATOM 0 H LEU A 13 -0.466 -1.310 -13.561 1.00 0.00 H new ATOM 0 HA LEU A 13 0.022 1.500 -14.421 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.790 -0.685 -15.599 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.758 0.969 -16.178 1.00 0.00 H new ATOM 0 HG LEU A 13 0.571 -1.001 -16.229 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.285 -0.725 -18.690 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.217 -1.326 -17.949 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.075 0.387 -18.408 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.791 0.805 -17.382 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.411 1.901 -17.140 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.329 1.303 -15.737 1.00 0.00 H new ATOM 176 N ILE A 14 -2.086 2.313 -13.274 1.00 0.00 N ATOM 177 CA ILE A 14 -3.347 2.729 -12.624 1.00 0.00 C ATOM 178 C ILE A 14 -4.420 2.512 -13.683 1.00 0.00 C ATOM 179 O ILE A 14 -4.712 3.389 -14.472 1.00 0.00 O ATOM 180 CB ILE A 14 -3.275 4.211 -12.257 1.00 0.00 C ATOM 181 CG1 ILE A 14 -2.323 4.406 -11.080 1.00 0.00 C ATOM 182 CG2 ILE A 14 -4.665 4.736 -11.896 1.00 0.00 C ATOM 183 CD1 ILE A 14 -2.850 3.659 -9.853 1.00 0.00 C ATOM 0 H ILE A 14 -1.409 3.056 -13.449 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.547 2.171 -11.709 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.903 4.769 -13.116 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.330 4.040 -11.340 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.223 5.468 -10.855 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.599 5.793 -11.637 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.333 4.613 -12.748 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.055 4.177 -11.045 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.165 3.803 -9.017 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.834 4.045 -9.587 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.927 2.596 -10.080 1.00 0.00 H new ATOM 195 N ILE A 15 -4.977 1.340 -13.746 1.00 0.00 N ATOM 196 CA ILE A 15 -5.984 1.076 -14.803 1.00 0.00 C ATOM 197 C ILE A 15 -7.317 1.694 -14.432 1.00 0.00 C ATOM 198 O ILE A 15 -7.824 1.528 -13.339 1.00 0.00 O ATOM 199 CB ILE A 15 -6.155 -0.428 -15.005 1.00 0.00 C ATOM 200 CG1 ILE A 15 -4.837 -1.025 -15.503 1.00 0.00 C ATOM 201 CG2 ILE A 15 -7.256 -0.680 -16.039 1.00 0.00 C ATOM 202 CD1 ILE A 15 -5.116 -2.371 -16.167 1.00 0.00 C ATOM 0 H ILE A 15 -4.781 0.560 -13.118 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.632 1.525 -15.732 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.432 -0.896 -14.060 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.362 -0.347 -16.212 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.144 -1.153 -14.671 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.380 -1.753 -16.185 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.193 -0.252 -15.684 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.980 -0.215 -16.985 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.180 -2.801 -16.524 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.573 -3.046 -15.443 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.794 -2.228 -17.008 1.00 0.00 H new ATOM 214 N PHE A 16 -7.894 2.404 -15.354 1.00 0.00 N ATOM 215 CA PHE A 16 -9.201 3.039 -15.094 1.00 0.00 C ATOM 216 C PHE A 16 -9.926 3.219 -16.427 1.00 0.00 C ATOM 217 O PHE A 16 -9.309 3.376 -17.460 1.00 0.00 O ATOM 218 CB PHE A 16 -8.979 4.408 -14.461 1.00 0.00 C ATOM 219 CG PHE A 16 -8.470 5.357 -15.513 1.00 0.00 C ATOM 220 CD1 PHE A 16 -9.372 5.963 -16.389 1.00 0.00 C ATOM 221 CD2 PHE A 16 -7.103 5.638 -15.606 1.00 0.00 C ATOM 222 CE1 PHE A 16 -8.912 6.853 -17.361 1.00 0.00 C ATOM 223 CE2 PHE A 16 -6.638 6.527 -16.580 1.00 0.00 C ATOM 224 CZ PHE A 16 -7.546 7.136 -17.460 1.00 0.00 C ATOM 0 H PHE A 16 -7.509 2.571 -16.284 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.792 2.417 -14.422 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.910 4.782 -14.036 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.262 4.333 -13.643 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.427 5.743 -16.315 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.407 5.169 -14.926 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.611 7.323 -18.037 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.583 6.744 -16.655 1.00 0.00 H new ATOM 0 HZ PHE A 16 -7.190 7.823 -18.213 1.00 0.00 H new ATOM 234 N ARG A 17 -11.226 3.224 -16.411 1.00 0.00 N ATOM 235 CA ARG A 17 -11.979 3.422 -17.678 1.00 0.00 C ATOM 236 C ARG A 17 -12.949 4.582 -17.473 1.00 0.00 C ATOM 237 O ARG A 17 -13.642 4.652 -16.478 1.00 0.00 O ATOM 238 CB ARG A 17 -12.761 2.152 -18.029 1.00 0.00 C ATOM 239 CG ARG A 17 -13.954 2.010 -17.086 1.00 0.00 C ATOM 240 CD ARG A 17 -14.613 0.648 -17.301 1.00 0.00 C ATOM 241 NE ARG A 17 -15.805 0.536 -16.415 1.00 0.00 N ATOM 242 CZ ARG A 17 -16.608 -0.487 -16.526 1.00 0.00 C ATOM 243 NH1 ARG A 17 -16.372 -1.410 -17.417 1.00 0.00 N ATOM 244 NH2 ARG A 17 -17.651 -0.582 -15.751 1.00 0.00 N ATOM 0 H ARG A 17 -11.800 3.100 -15.577 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.290 3.639 -18.494 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.104 2.198 -19.062 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.113 1.279 -17.947 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.627 2.108 -16.051 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.674 2.808 -17.270 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.908 0.534 -18.344 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.905 -0.151 -17.081 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.994 1.259 -15.721 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.559 -1.333 -18.028 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.000 -2.209 -17.503 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.839 0.143 -15.058 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.279 -1.381 -15.837 1.00 0.00 H new ATOM 258 N ARG A 18 -12.996 5.507 -18.388 1.00 0.00 N ATOM 259 CA ARG A 18 -13.915 6.663 -18.213 1.00 0.00 C ATOM 260 C ARG A 18 -15.175 6.476 -19.052 1.00 0.00 C ATOM 261 O ARG A 18 -15.120 6.089 -20.202 1.00 0.00 O ATOM 262 CB ARG A 18 -13.198 7.948 -18.617 1.00 0.00 C ATOM 263 CG ARG A 18 -12.800 7.883 -20.087 1.00 0.00 C ATOM 264 CD ARG A 18 -11.692 8.906 -20.340 1.00 0.00 C ATOM 265 NE ARG A 18 -11.635 9.240 -21.790 1.00 0.00 N ATOM 266 CZ ARG A 18 -10.828 10.173 -22.210 1.00 0.00 C ATOM 267 NH1 ARG A 18 -10.042 10.786 -21.370 1.00 0.00 N ATOM 268 NH2 ARG A 18 -10.806 10.495 -23.473 1.00 0.00 N ATOM 0 H ARG A 18 -12.442 5.513 -19.244 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.209 6.728 -17.165 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.848 8.806 -18.445 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.312 8.090 -17.998 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.454 6.881 -20.341 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.661 8.094 -20.721 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.877 9.808 -19.757 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.733 8.506 -20.012 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.227 8.739 -22.453 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.058 10.536 -20.381 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.411 11.516 -21.701 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.420 10.017 -24.132 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.175 11.225 -23.802 1.00 0.00 H new ATOM 282 N CYS A 19 -16.317 6.747 -18.482 1.00 0.00 N ATOM 283 CA CYS A 19 -17.584 6.589 -19.243 1.00 0.00 C ATOM 284 C CYS A 19 -17.879 7.877 -20.008 1.00 0.00 C ATOM 285 O CYS A 19 -17.131 8.831 -19.961 1.00 0.00 O ATOM 286 CB CYS A 19 -18.746 6.296 -18.290 1.00 0.00 C ATOM 287 SG CYS A 19 -18.152 5.338 -16.872 1.00 0.00 S ATOM 0 H CYS A 19 -16.425 7.071 -17.521 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.475 5.757 -19.938 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -19.192 7.230 -17.948 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -19.526 5.743 -18.813 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.995 5.794 -16.494 1.00 0.00 H new ATOM 424 N ALA A 28 -17.766 9.099 -14.130 1.00 0.00 N ATOM 425 CA ALA A 28 -17.563 8.389 -15.420 1.00 0.00 C ATOM 426 C ALA A 28 -16.266 7.589 -15.358 1.00 0.00 C ATOM 427 O ALA A 28 -16.041 6.694 -16.144 1.00 0.00 O ATOM 428 CB ALA A 28 -17.471 9.409 -16.556 1.00 0.00 C ATOM 0 HA ALA A 28 -18.402 7.717 -15.600 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.322 8.888 -17.502 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.394 9.987 -16.602 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.631 10.080 -16.375 1.00 0.00 H new ATOM 434 N ILE A 29 -15.407 7.916 -14.433 1.00 0.00 N ATOM 435 CA ILE A 29 -14.109 7.193 -14.328 1.00 0.00 C ATOM 436 C ILE A 29 -14.164 6.144 -13.219 1.00 0.00 C ATOM 437 O ILE A 29 -14.617 6.398 -12.120 1.00 0.00 O ATOM 438 CB ILE A 29 -13.008 8.206 -14.026 1.00 0.00 C ATOM 439 CG1 ILE A 29 -13.010 9.287 -15.118 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.659 7.491 -13.983 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.627 9.396 -15.768 1.00 0.00 C ATOM 0 H ILE A 29 -15.548 8.654 -13.744 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.904 6.683 -15.269 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.184 8.677 -13.059 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.756 9.046 -15.875 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.292 10.247 -14.687 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.871 8.213 -13.767 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.676 6.729 -13.204 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.466 7.020 -14.947 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.647 10.166 -16.539 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.889 9.660 -15.011 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.360 8.440 -16.218 1.00 0.00 H new ATOM 453 N GLU A 30 -13.693 4.961 -13.511 1.00 0.00 N ATOM 454 CA GLU A 30 -13.692 3.871 -12.499 1.00 0.00 C ATOM 455 C GLU A 30 -12.308 3.224 -12.477 1.00 0.00 C ATOM 456 O GLU A 30 -11.542 3.365 -13.405 1.00 0.00 O ATOM 457 CB GLU A 30 -14.740 2.820 -12.873 1.00 0.00 C ATOM 458 CG GLU A 30 -16.122 3.470 -12.894 1.00 0.00 C ATOM 459 CD GLU A 30 -17.182 2.401 -13.165 1.00 0.00 C ATOM 460 OE1 GLU A 30 -18.355 2.713 -13.046 1.00 0.00 O ATOM 461 OE2 GLU A 30 -16.800 1.288 -13.489 1.00 0.00 O ATOM 0 H GLU A 30 -13.305 4.703 -14.418 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.930 4.278 -11.516 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.511 2.393 -13.850 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.722 2.000 -12.155 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.320 3.961 -11.941 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.162 4.241 -13.664 1.00 0.00 H new ATOM 469 N PHE A 31 -11.978 2.515 -11.430 1.00 0.00 N ATOM 470 CA PHE A 31 -10.635 1.870 -11.367 1.00 0.00 C ATOM 471 C PHE A 31 -10.776 0.350 -11.422 1.00 0.00 C ATOM 472 O PHE A 31 -11.704 -0.222 -10.885 1.00 0.00 O ATOM 473 CB PHE A 31 -9.934 2.248 -10.064 1.00 0.00 C ATOM 474 CG PHE A 31 -9.648 3.728 -10.047 1.00 0.00 C ATOM 475 CD1 PHE A 31 -8.778 4.277 -10.993 1.00 0.00 C ATOM 476 CD2 PHE A 31 -10.239 4.549 -9.080 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.500 5.650 -10.976 1.00 0.00 C ATOM 478 CE2 PHE A 31 -9.961 5.919 -9.062 1.00 0.00 C ATOM 479 CZ PHE A 31 -9.091 6.470 -10.008 1.00 0.00 C ATOM 0 H PHE A 31 -12.577 2.355 -10.620 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.049 2.216 -12.218 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.560 1.980 -9.213 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.004 1.688 -9.965 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.320 3.643 -11.737 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.910 4.124 -8.348 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.830 6.075 -11.709 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.419 6.553 -8.317 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.875 7.528 -9.992 1.00 0.00 H new ATOM 489 N LEU A 32 -9.847 -0.305 -12.061 1.00 0.00 N ATOM 490 CA LEU A 32 -9.900 -1.786 -12.147 1.00 0.00 C ATOM 491 C LEU A 32 -8.843 -2.380 -11.201 1.00 0.00 C ATOM 492 O LEU A 32 -7.655 -2.313 -11.454 1.00 0.00 O ATOM 493 CB LEU A 32 -9.653 -2.193 -13.609 1.00 0.00 C ATOM 494 CG LEU A 32 -9.149 -3.640 -13.713 1.00 0.00 C ATOM 495 CD1 LEU A 32 -10.268 -4.625 -13.379 1.00 0.00 C ATOM 496 CD2 LEU A 32 -8.683 -3.909 -15.139 1.00 0.00 C ATOM 0 H LEU A 32 -9.050 0.127 -12.529 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.874 -2.168 -11.841 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.576 -2.086 -14.178 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.923 -1.519 -14.057 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.329 -3.771 -13.007 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.891 -5.645 -13.458 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.619 -4.446 -12.363 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.094 -4.488 -14.077 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.324 -4.935 -15.217 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.515 -3.762 -15.828 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.876 -3.222 -15.394 1.00 0.00 H new ATOM 508 N LEU A 33 -9.276 -2.961 -10.106 1.00 0.00 N ATOM 509 CA LEU A 33 -8.320 -3.566 -9.127 1.00 0.00 C ATOM 510 C LEU A 33 -8.434 -5.085 -9.196 1.00 0.00 C ATOM 511 O LEU A 33 -9.402 -5.610 -9.700 1.00 0.00 O ATOM 512 CB LEU A 33 -8.683 -3.133 -7.706 1.00 0.00 C ATOM 513 CG LEU A 33 -8.212 -1.704 -7.435 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.037 -1.122 -6.287 1.00 0.00 C ATOM 515 CD2 LEU A 33 -6.736 -1.715 -7.028 1.00 0.00 C ATOM 0 H LEU A 33 -10.260 -3.042 -9.848 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.310 -3.238 -9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.762 -3.197 -7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.227 -3.813 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.337 -1.102 -8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.710 -0.102 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.091 -1.117 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.899 -1.732 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.404 -0.695 -6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.612 -2.313 -6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.140 -2.145 -7.833 1.00 0.00 H new ATOM 527 N LEU A 34 -7.457 -5.795 -8.692 1.00 0.00 N ATOM 528 CA LEU A 34 -7.524 -7.285 -8.732 1.00 0.00 C ATOM 529 C LEU A 34 -7.393 -7.873 -7.328 1.00 0.00 C ATOM 530 O LEU A 34 -6.535 -7.485 -6.560 1.00 0.00 O ATOM 531 CB LEU A 34 -6.381 -7.825 -9.592 1.00 0.00 C ATOM 532 CG LEU A 34 -6.469 -7.238 -10.996 1.00 0.00 C ATOM 533 CD1 LEU A 34 -5.457 -7.933 -11.902 1.00 0.00 C ATOM 534 CD2 LEU A 34 -7.872 -7.468 -11.548 1.00 0.00 C ATOM 0 H LEU A 34 -6.620 -5.408 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.488 -7.571 -9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.422 -7.570 -9.141 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.432 -8.913 -9.639 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.255 -6.170 -10.959 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.519 -7.514 -12.906 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.452 -7.782 -11.508 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.676 -9.000 -11.940 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.941 -7.050 -12.552 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.077 -8.538 -11.585 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.602 -6.981 -10.901 1.00 0.00 H new ATOM 546 N GLN A 35 -8.207 -8.845 -6.999 1.00 0.00 N ATOM 547 CA GLN A 35 -8.082 -9.485 -5.662 1.00 0.00 C ATOM 548 C GLN A 35 -7.362 -10.814 -5.857 1.00 0.00 C ATOM 549 O GLN A 35 -7.909 -11.748 -6.407 1.00 0.00 O ATOM 550 CB GLN A 35 -9.459 -9.752 -5.049 1.00 0.00 C ATOM 551 CG GLN A 35 -9.314 -9.880 -3.530 1.00 0.00 C ATOM 552 CD GLN A 35 -10.670 -10.219 -2.906 1.00 0.00 C ATOM 553 OE1 GLN A 35 -11.668 -10.294 -3.592 1.00 0.00 O ATOM 554 NE2 GLN A 35 -10.746 -10.424 -1.619 1.00 0.00 N ATOM 0 H GLN A 35 -8.946 -9.218 -7.596 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.534 -8.824 -4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.144 -8.940 -5.294 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.885 -10.665 -5.465 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.588 -10.657 -3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.934 -8.948 -3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.907 -10.361 -1.042 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.644 -10.647 -1.190 1.00 0.00 H new ATOM 563 N ALA A 36 -6.138 -10.911 -5.428 1.00 0.00 N ATOM 564 CA ALA A 36 -5.399 -12.186 -5.616 1.00 0.00 C ATOM 565 C ALA A 36 -6.063 -13.287 -4.790 1.00 0.00 C ATOM 566 O ALA A 36 -6.416 -13.089 -3.648 1.00 0.00 O ATOM 567 CB ALA A 36 -3.951 -12.002 -5.166 1.00 0.00 C ATOM 0 H ALA A 36 -5.620 -10.168 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.417 -12.469 -6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.406 -12.936 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.482 -11.218 -5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.930 -11.721 -4.113 1.00 0.00 H new ATOM 573 N SER A 37 -6.238 -14.448 -5.361 1.00 0.00 N ATOM 574 CA SER A 37 -6.885 -15.553 -4.601 1.00 0.00 C ATOM 575 C SER A 37 -5.813 -16.359 -3.864 1.00 0.00 C ATOM 576 O SER A 37 -6.110 -17.150 -2.993 1.00 0.00 O ATOM 577 CB SER A 37 -7.635 -16.461 -5.575 1.00 0.00 C ATOM 578 OG SER A 37 -7.943 -17.693 -4.932 1.00 0.00 O ATOM 0 H SER A 37 -5.962 -14.677 -6.316 1.00 0.00 H new ATOM 0 HA SER A 37 -7.586 -15.141 -3.876 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.551 -15.975 -5.911 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.027 -16.643 -6.461 1.00 0.00 H new ATOM 0 HG SER A 37 -8.425 -18.276 -5.555 1.00 0.00 H new ATOM 641 N HIS A 42 -6.243 -10.053 -1.101 1.00 0.00 N ATOM 642 CA HIS A 42 -6.104 -8.579 -0.944 1.00 0.00 C ATOM 643 C HIS A 42 -6.387 -7.906 -2.284 1.00 0.00 C ATOM 644 O HIS A 42 -6.157 -8.475 -3.330 1.00 0.00 O ATOM 645 CB HIS A 42 -4.675 -8.251 -0.501 1.00 0.00 C ATOM 646 CG HIS A 42 -3.699 -8.653 -1.578 1.00 0.00 C ATOM 647 ND1 HIS A 42 -3.536 -8.227 -2.875 1.00 0.00 N flip ATOM 648 CD2 HIS A 42 -2.720 -9.617 -1.372 1.00 0.00 C flip ATOM 649 CE1 HIS A 42 -2.475 -8.912 -3.457 1.00 0.00 C flip ATOM 650 NE2 HIS A 42 -2.017 -9.734 -2.513 1.00 0.00 N flip ATOM 0 HA HIS A 42 -6.809 -8.218 -0.195 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.584 -7.184 -0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.443 -8.775 0.426 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.553 -10.172 -0.461 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.100 -8.801 -4.464 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.231 -10.372 -2.640 1.00 0.00 H new ATOM 659 N TRP A 43 -6.885 -6.701 -2.272 1.00 0.00 N ATOM 660 CA TRP A 43 -7.177 -6.009 -3.557 1.00 0.00 C ATOM 661 C TRP A 43 -5.976 -5.171 -3.979 1.00 0.00 C ATOM 662 O TRP A 43 -5.313 -4.557 -3.170 1.00 0.00 O ATOM 663 CB TRP A 43 -8.390 -5.094 -3.400 1.00 0.00 C ATOM 664 CG TRP A 43 -9.646 -5.879 -3.598 1.00 0.00 C ATOM 665 CD1 TRP A 43 -10.471 -6.290 -2.608 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.235 -6.351 -4.843 1.00 0.00 C ATOM 667 NE1 TRP A 43 -11.528 -6.985 -3.167 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.426 -7.054 -4.542 1.00 0.00 C ATOM 669 CE3 TRP A 43 -9.851 -6.245 -6.192 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.211 -7.622 -5.543 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -10.636 -6.820 -7.202 1.00 0.00 C ATOM 672 CH2 TRP A 43 -11.811 -7.512 -6.877 1.00 0.00 C ATOM 0 H TRP A 43 -7.102 -6.167 -1.430 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.386 -6.762 -4.316 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.387 -4.638 -2.410 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.340 -4.281 -4.125 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.328 -6.106 -1.554 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -12.290 -7.397 -2.629 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.945 -5.717 -6.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.122 -8.144 -5.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.334 -6.729 -8.235 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -12.407 -7.960 -7.658 1.00 0.00 H new ATOM 683 N THR A 44 -5.702 -5.146 -5.248 1.00 0.00 N ATOM 684 CA THR A 44 -4.553 -4.354 -5.754 1.00 0.00 C ATOM 685 C THR A 44 -4.672 -4.250 -7.276 1.00 0.00 C ATOM 686 O THR A 44 -5.448 -4.958 -7.888 1.00 0.00 O ATOM 687 CB THR A 44 -3.252 -5.059 -5.369 1.00 0.00 C ATOM 688 OG1 THR A 44 -2.217 -4.101 -5.208 1.00 0.00 O ATOM 689 CG2 THR A 44 -2.867 -6.061 -6.457 1.00 0.00 C ATOM 0 H THR A 44 -6.230 -5.645 -5.964 1.00 0.00 H new ATOM 0 HA THR A 44 -4.552 -3.354 -5.320 1.00 0.00 H new ATOM 0 HB THR A 44 -3.396 -5.590 -4.428 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.861 -4.154 -4.296 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.939 -6.561 -6.179 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.660 -6.801 -6.567 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.727 -5.536 -7.402 1.00 0.00 H new ATOM 697 N PRO A 45 -3.926 -3.371 -7.891 1.00 0.00 N ATOM 698 CA PRO A 45 -3.962 -3.172 -9.358 1.00 0.00 C ATOM 699 C PRO A 45 -2.934 -4.052 -10.063 1.00 0.00 C ATOM 700 O PRO A 45 -2.015 -4.549 -9.446 1.00 0.00 O ATOM 701 CB PRO A 45 -3.579 -1.707 -9.494 1.00 0.00 C ATOM 702 CG PRO A 45 -2.577 -1.496 -8.412 1.00 0.00 C ATOM 703 CD PRO A 45 -2.945 -2.463 -7.275 1.00 0.00 C ATOM 0 HA PRO A 45 -4.924 -3.428 -9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.157 -1.494 -10.476 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.444 -1.055 -9.370 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.568 -1.692 -8.775 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.596 -0.463 -8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.072 -3.004 -6.912 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.370 -1.934 -6.422 1.00 0.00 H new ATOM 711 N PRO A 46 -3.074 -4.239 -11.342 1.00 0.00 N ATOM 712 CA PRO A 46 -2.116 -5.065 -12.118 1.00 0.00 C ATOM 713 C PRO A 46 -0.685 -4.560 -11.935 1.00 0.00 C ATOM 714 O PRO A 46 -0.343 -3.477 -12.365 1.00 0.00 O ATOM 715 CB PRO A 46 -2.556 -4.884 -13.569 1.00 0.00 C ATOM 716 CG PRO A 46 -3.968 -4.406 -13.514 1.00 0.00 C ATOM 717 CD PRO A 46 -4.141 -3.683 -12.184 1.00 0.00 C ATOM 0 HA PRO A 46 -2.119 -6.107 -11.799 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.920 -4.163 -14.083 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.483 -5.822 -14.119 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.182 -3.737 -14.348 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.662 -5.243 -13.591 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.039 -2.604 -12.299 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.126 -3.866 -11.754 1.00 0.00 H new ATOM 725 N LYS A 47 0.154 -5.319 -11.292 1.00 0.00 N ATOM 726 CA LYS A 47 1.553 -4.856 -11.082 1.00 0.00 C ATOM 727 C LYS A 47 2.442 -6.049 -10.727 1.00 0.00 C ATOM 728 O LYS A 47 2.203 -6.748 -9.762 1.00 0.00 O ATOM 729 CB LYS A 47 1.577 -3.835 -9.941 1.00 0.00 C ATOM 730 CG LYS A 47 1.331 -4.543 -8.606 1.00 0.00 C ATOM 731 CD LYS A 47 1.074 -3.502 -7.521 1.00 0.00 C ATOM 732 CE LYS A 47 0.755 -4.211 -6.206 1.00 0.00 C ATOM 733 NZ LYS A 47 0.488 -3.197 -5.147 1.00 0.00 N ATOM 0 H LYS A 47 -0.066 -6.236 -10.904 1.00 0.00 H new ATOM 0 HA LYS A 47 1.927 -4.393 -11.995 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.539 -3.323 -9.919 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.814 -3.074 -10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.477 -5.215 -8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.194 -5.155 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.949 -2.863 -7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.245 -2.856 -7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.113 -4.859 -6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.589 -4.848 -5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.919 -3.507 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.897 -2.284 -5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.539 -3.092 -5.018 1.00 0.00 H new ATOM 747 N GLY A 48 3.467 -6.286 -11.497 1.00 0.00 N ATOM 748 CA GLY A 48 4.369 -7.435 -11.201 1.00 0.00 C ATOM 749 C GLY A 48 5.774 -6.916 -10.905 1.00 0.00 C ATOM 750 O GLY A 48 6.130 -5.812 -11.268 1.00 0.00 O ATOM 0 H GLY A 48 3.719 -5.735 -12.317 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.990 -7.998 -10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.394 -8.120 -12.049 1.00 0.00 H new ATOM 754 N HIS A 49 6.576 -7.705 -10.247 1.00 0.00 N ATOM 755 CA HIS A 49 7.959 -7.268 -9.918 1.00 0.00 C ATOM 756 C HIS A 49 8.748 -7.023 -11.206 1.00 0.00 C ATOM 757 O HIS A 49 8.362 -7.451 -12.274 1.00 0.00 O ATOM 758 CB HIS A 49 8.649 -8.352 -9.098 1.00 0.00 C ATOM 759 CG HIS A 49 10.126 -8.079 -9.055 1.00 0.00 C ATOM 760 ND1 HIS A 49 10.843 -6.976 -8.659 1.00 0.00 N flip ATOM 761 CD2 HIS A 49 11.064 -9.016 -9.462 1.00 0.00 C flip ATOM 762 CE1 HIS A 49 12.201 -7.226 -8.818 1.00 0.00 C flip ATOM 763 NE2 HIS A 49 12.281 -8.466 -9.303 1.00 0.00 N flip ATOM 0 H HIS A 49 6.330 -8.640 -9.921 1.00 0.00 H new ATOM 0 HA HIS A 49 7.917 -6.343 -9.343 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.242 -8.373 -8.087 1.00 0.00 H new ATOM 0 HB3 HIS A 49 8.461 -9.331 -9.538 1.00 0.00 H new ATOM 0 HD2 HIS A 49 10.855 -10.007 -9.838 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.019 -6.557 -8.596 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.157 -8.939 -9.526 1.00 0.00 H new ATOM 772 N VAL A 50 9.845 -6.322 -11.111 1.00 0.00 N ATOM 773 CA VAL A 50 10.656 -6.032 -12.329 1.00 0.00 C ATOM 774 C VAL A 50 11.853 -6.985 -12.411 1.00 0.00 C ATOM 775 O VAL A 50 12.553 -7.213 -11.444 1.00 0.00 O ATOM 776 CB VAL A 50 11.158 -4.587 -12.266 1.00 0.00 C ATOM 777 CG1 VAL A 50 12.610 -4.557 -11.786 1.00 0.00 C ATOM 778 CG2 VAL A 50 11.078 -3.960 -13.655 1.00 0.00 C ATOM 0 H VAL A 50 10.215 -5.937 -10.242 1.00 0.00 H new ATOM 0 HA VAL A 50 10.034 -6.172 -13.213 1.00 0.00 H new ATOM 0 HB VAL A 50 10.536 -4.026 -11.569 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.958 -3.525 -11.744 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.674 -5.002 -10.793 1.00 0.00 H new ATOM 0 HG13 VAL A 50 13.234 -5.123 -12.478 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.435 -2.931 -13.611 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.697 -4.530 -14.348 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.044 -3.971 -14.000 1.00 0.00 H new ATOM 841 N ASP A 55 11.580 -3.724 -18.386 1.00 0.00 N ATOM 842 CA ASP A 55 11.801 -2.339 -17.877 1.00 0.00 C ATOM 843 C ASP A 55 10.824 -2.059 -16.733 1.00 0.00 C ATOM 844 O ASP A 55 9.977 -2.870 -16.418 1.00 0.00 O ATOM 845 CB ASP A 55 11.551 -1.331 -19.000 1.00 0.00 C ATOM 846 CG ASP A 55 12.379 -0.066 -18.755 1.00 0.00 C ATOM 847 OD1 ASP A 55 12.162 0.902 -19.465 1.00 0.00 O ATOM 848 OD2 ASP A 55 13.213 -0.087 -17.865 1.00 0.00 O ATOM 0 HA ASP A 55 12.828 -2.246 -17.523 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.817 -1.770 -19.961 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.491 -1.080 -19.047 1.00 0.00 H new ATOM 854 N ASP A 56 10.935 -0.920 -16.108 1.00 0.00 N ATOM 855 CA ASP A 56 10.007 -0.596 -14.988 1.00 0.00 C ATOM 856 C ASP A 56 8.577 -0.489 -15.521 1.00 0.00 C ATOM 857 O ASP A 56 7.708 -1.240 -15.136 1.00 0.00 O ATOM 858 CB ASP A 56 10.419 0.729 -14.353 1.00 0.00 C ATOM 859 CG ASP A 56 11.745 0.547 -13.617 1.00 0.00 C ATOM 860 OD1 ASP A 56 12.326 1.546 -13.229 1.00 0.00 O ATOM 861 OD2 ASP A 56 12.158 -0.591 -13.454 1.00 0.00 O ATOM 0 H ASP A 56 11.626 -0.201 -16.323 1.00 0.00 H new ATOM 0 HA ASP A 56 10.053 -1.386 -14.238 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.518 1.497 -15.120 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.649 1.068 -13.660 1.00 0.00 H new ATOM 867 N LEU A 57 8.321 0.430 -16.413 1.00 0.00 N ATOM 868 CA LEU A 57 6.942 0.551 -16.964 1.00 0.00 C ATOM 869 C LEU A 57 6.626 -0.689 -17.791 1.00 0.00 C ATOM 870 O LEU A 57 5.540 -1.231 -17.724 1.00 0.00 O ATOM 871 CB LEU A 57 6.831 1.798 -17.848 1.00 0.00 C ATOM 872 CG LEU A 57 5.531 1.741 -18.661 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.331 2.053 -17.765 1.00 0.00 C ATOM 874 CD2 LEU A 57 5.599 2.762 -19.796 1.00 0.00 C ATOM 0 H LEU A 57 9.000 1.096 -16.781 1.00 0.00 H new ATOM 0 HA LEU A 57 6.233 0.640 -16.141 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.846 2.696 -17.230 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.688 1.858 -18.518 1.00 0.00 H new ATOM 0 HG LEU A 57 5.413 0.738 -19.072 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.415 2.009 -18.355 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.279 1.321 -16.959 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.443 3.051 -17.342 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.677 2.724 -20.376 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.725 3.761 -19.379 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.444 2.530 -20.444 1.00 0.00 H new ATOM 886 N GLU A 58 7.566 -1.153 -18.565 1.00 0.00 N ATOM 887 CA GLU A 58 7.299 -2.365 -19.376 1.00 0.00 C ATOM 888 C GLU A 58 6.867 -3.464 -18.417 1.00 0.00 C ATOM 889 O GLU A 58 6.013 -4.275 -18.721 1.00 0.00 O ATOM 890 CB GLU A 58 8.570 -2.776 -20.124 1.00 0.00 C ATOM 891 CG GLU A 58 8.930 -1.693 -21.143 1.00 0.00 C ATOM 892 CD GLU A 58 7.811 -1.569 -22.179 1.00 0.00 C ATOM 893 OE1 GLU A 58 6.996 -2.474 -22.255 1.00 0.00 O ATOM 894 OE2 GLU A 58 7.790 -0.572 -22.880 1.00 0.00 O ATOM 0 H GLU A 58 8.497 -0.749 -18.669 1.00 0.00 H new ATOM 0 HA GLU A 58 6.520 -2.179 -20.115 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.390 -2.916 -19.420 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.416 -3.730 -20.629 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.078 -0.739 -20.637 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.870 -1.942 -21.636 1.00 0.00 H new ATOM 902 N THR A 59 7.425 -3.467 -17.237 1.00 0.00 N ATOM 903 CA THR A 59 7.024 -4.478 -16.227 1.00 0.00 C ATOM 904 C THR A 59 5.561 -4.227 -15.871 1.00 0.00 C ATOM 905 O THR A 59 4.768 -5.140 -15.759 1.00 0.00 O ATOM 906 CB THR A 59 7.891 -4.325 -14.979 1.00 0.00 C ATOM 907 OG1 THR A 59 8.957 -5.261 -15.023 1.00 0.00 O ATOM 908 CG2 THR A 59 7.039 -4.565 -13.732 1.00 0.00 C ATOM 0 H THR A 59 8.143 -2.810 -16.931 1.00 0.00 H new ATOM 0 HA THR A 59 7.153 -5.486 -16.621 1.00 0.00 H new ATOM 0 HB THR A 59 8.302 -3.316 -14.943 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.603 -6.166 -14.895 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.658 -4.456 -12.842 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.227 -3.838 -13.701 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.624 -5.572 -13.764 1.00 0.00 H new ATOM 916 N ALA A 60 5.187 -2.984 -15.717 1.00 0.00 N ATOM 917 CA ALA A 60 3.768 -2.677 -15.404 1.00 0.00 C ATOM 918 C ALA A 60 2.935 -3.135 -16.591 1.00 0.00 C ATOM 919 O ALA A 60 1.971 -3.862 -16.452 1.00 0.00 O ATOM 920 CB ALA A 60 3.589 -1.170 -15.213 1.00 0.00 C ATOM 0 H ALA A 60 5.802 -2.174 -15.795 1.00 0.00 H new ATOM 0 HA ALA A 60 3.461 -3.182 -14.488 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.546 -0.954 -14.984 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.219 -0.830 -14.391 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.875 -0.651 -16.128 1.00 0.00 H new ATOM 926 N LEU A 61 3.333 -2.736 -17.769 1.00 0.00 N ATOM 927 CA LEU A 61 2.602 -3.162 -18.990 1.00 0.00 C ATOM 928 C LEU A 61 2.617 -4.690 -19.033 1.00 0.00 C ATOM 929 O LEU A 61 1.657 -5.326 -19.421 1.00 0.00 O ATOM 930 CB LEU A 61 3.308 -2.588 -20.226 1.00 0.00 C ATOM 931 CG LEU A 61 3.173 -1.059 -20.221 1.00 0.00 C ATOM 932 CD1 LEU A 61 4.136 -0.442 -21.238 1.00 0.00 C ATOM 933 CD2 LEU A 61 1.744 -0.671 -20.598 1.00 0.00 C ATOM 0 H LEU A 61 4.137 -2.131 -17.936 1.00 0.00 H new ATOM 0 HA LEU A 61 1.574 -2.800 -18.978 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.360 -2.872 -20.223 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.869 -3.001 -21.134 1.00 0.00 H new ATOM 0 HG LEU A 61 3.411 -0.689 -19.224 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.032 0.643 -21.226 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.160 -0.711 -20.979 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.903 -0.818 -22.234 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.649 0.415 -20.594 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.514 -1.052 -21.593 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.048 -1.099 -19.876 1.00 0.00 H new ATOM 945 N ARG A 62 3.701 -5.278 -18.605 1.00 0.00 N ATOM 946 CA ARG A 62 3.798 -6.763 -18.577 1.00 0.00 C ATOM 947 C ARG A 62 2.777 -7.315 -17.581 1.00 0.00 C ATOM 948 O ARG A 62 2.005 -8.200 -17.892 1.00 0.00 O ATOM 949 CB ARG A 62 5.208 -7.149 -18.122 1.00 0.00 C ATOM 950 CG ARG A 62 5.333 -8.665 -17.986 1.00 0.00 C ATOM 951 CD ARG A 62 6.683 -8.997 -17.345 1.00 0.00 C ATOM 952 NE ARG A 62 6.828 -10.473 -17.222 1.00 0.00 N ATOM 953 CZ ARG A 62 6.997 -11.205 -18.287 1.00 0.00 C ATOM 954 NH1 ARG A 62 7.025 -10.646 -19.465 1.00 0.00 N ATOM 955 NH2 ARG A 62 7.135 -12.498 -18.171 1.00 0.00 N ATOM 0 H ARG A 62 4.530 -4.787 -18.271 1.00 0.00 H new ATOM 0 HA ARG A 62 3.598 -7.173 -19.567 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.941 -6.781 -18.840 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.431 -6.673 -17.167 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.520 -9.057 -17.375 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.254 -9.139 -18.964 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.494 -8.591 -17.950 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.755 -8.531 -16.362 1.00 0.00 H new ATOM 0 HE ARG A 62 6.795 -10.913 -16.302 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.915 -9.636 -19.553 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.157 -11.219 -20.298 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.110 -12.933 -17.249 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.267 -13.073 -19.003 1.00 0.00 H new ATOM 969 N ALA A 63 2.764 -6.791 -16.385 1.00 0.00 N ATOM 970 CA ALA A 63 1.791 -7.276 -15.367 1.00 0.00 C ATOM 971 C ALA A 63 0.390 -6.797 -15.741 1.00 0.00 C ATOM 972 O ALA A 63 -0.601 -7.437 -15.448 1.00 0.00 O ATOM 973 CB ALA A 63 2.165 -6.723 -13.989 1.00 0.00 C ATOM 0 H ALA A 63 3.386 -6.047 -16.070 1.00 0.00 H new ATOM 0 HA ALA A 63 1.813 -8.365 -15.336 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.451 -7.080 -13.247 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.166 -7.061 -13.721 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.145 -5.634 -14.017 1.00 0.00 H new ATOM 979 N THR A 64 0.302 -5.671 -16.391 1.00 0.00 N ATOM 980 CA THR A 64 -1.029 -5.147 -16.786 1.00 0.00 C ATOM 981 C THR A 64 -1.777 -6.233 -17.553 1.00 0.00 C ATOM 982 O THR A 64 -2.912 -6.556 -17.255 1.00 0.00 O ATOM 983 CB THR A 64 -0.823 -3.924 -17.679 1.00 0.00 C ATOM 984 OG1 THR A 64 0.038 -3.008 -17.018 1.00 0.00 O ATOM 985 CG2 THR A 64 -2.160 -3.247 -17.952 1.00 0.00 C ATOM 0 H THR A 64 1.096 -5.092 -16.665 1.00 0.00 H new ATOM 0 HA THR A 64 -1.608 -4.864 -15.907 1.00 0.00 H new ATOM 0 HB THR A 64 -0.382 -4.238 -18.625 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.809 -3.490 -16.653 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.004 -2.376 -18.589 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.827 -3.948 -18.453 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.607 -2.931 -17.009 1.00 0.00 H new ATOM 993 N GLN A 65 -1.143 -6.811 -18.530 1.00 0.00 N ATOM 994 CA GLN A 65 -1.797 -7.891 -19.311 1.00 0.00 C ATOM 995 C GLN A 65 -1.783 -9.199 -18.516 1.00 0.00 C ATOM 996 O GLN A 65 -2.776 -9.887 -18.410 1.00 0.00 O ATOM 997 CB GLN A 65 -1.044 -8.085 -20.627 1.00 0.00 C ATOM 998 CG GLN A 65 -1.129 -9.551 -21.058 1.00 0.00 C ATOM 999 CD GLN A 65 -0.693 -9.686 -22.517 1.00 0.00 C ATOM 1000 OE1 GLN A 65 0.462 -9.492 -22.845 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -1.580 -10.019 -23.414 1.00 0.00 N ATOM 0 H GLN A 65 -0.194 -6.580 -18.823 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.831 -7.612 -19.513 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.470 -7.444 -21.399 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.001 -7.791 -20.507 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.493 -10.165 -20.420 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.149 -9.917 -20.938 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.548 -10.182 -23.138 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.305 -10.117 -24.391 1.00 0.00 H new ATOM 1010 N GLU A 66 -0.654 -9.562 -17.982 1.00 0.00 N ATOM 1011 CA GLU A 66 -0.562 -10.845 -17.229 1.00 0.00 C ATOM 1012 C GLU A 66 -1.446 -10.840 -15.975 1.00 0.00 C ATOM 1013 O GLU A 66 -2.105 -11.814 -15.675 1.00 0.00 O ATOM 1014 CB GLU A 66 0.893 -11.071 -16.809 1.00 0.00 C ATOM 1015 CG GLU A 66 1.734 -11.442 -18.031 1.00 0.00 C ATOM 1016 CD GLU A 66 1.240 -12.772 -18.602 1.00 0.00 C ATOM 1017 OE1 GLU A 66 1.561 -13.063 -19.743 1.00 0.00 O ATOM 1018 OE2 GLU A 66 0.547 -13.478 -17.889 1.00 0.00 O ATOM 0 H GLU A 66 0.212 -9.026 -18.033 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.910 -11.644 -17.883 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.291 -10.170 -16.343 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.947 -11.865 -16.064 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.662 -10.660 -18.787 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.785 -11.521 -17.753 1.00 0.00 H new ATOM 1026 N GLU A 67 -1.443 -9.782 -15.217 1.00 0.00 N ATOM 1027 CA GLU A 67 -2.263 -9.777 -13.969 1.00 0.00 C ATOM 1028 C GLU A 67 -3.746 -9.516 -14.263 1.00 0.00 C ATOM 1029 O GLU A 67 -4.611 -10.061 -13.606 1.00 0.00 O ATOM 1030 CB GLU A 67 -1.727 -8.718 -13.010 1.00 0.00 C ATOM 1031 CG GLU A 67 -0.288 -9.071 -12.639 1.00 0.00 C ATOM 1032 CD GLU A 67 0.176 -8.200 -11.474 1.00 0.00 C ATOM 1033 OE1 GLU A 67 1.336 -8.305 -11.113 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -0.637 -7.456 -10.954 1.00 0.00 O ATOM 0 H GLU A 67 -0.916 -8.928 -15.401 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.187 -10.764 -13.512 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.766 -7.733 -13.476 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.347 -8.672 -12.115 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.221 -10.124 -12.366 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.365 -8.922 -13.499 1.00 0.00 H new ATOM 1042 N ALA A 68 -4.058 -8.689 -15.227 1.00 0.00 N ATOM 1043 CA ALA A 68 -5.497 -8.408 -15.522 1.00 0.00 C ATOM 1044 C ALA A 68 -5.867 -8.919 -16.914 1.00 0.00 C ATOM 1045 O ALA A 68 -7.022 -9.155 -17.209 1.00 0.00 O ATOM 1046 CB ALA A 68 -5.756 -6.903 -15.460 1.00 0.00 C ATOM 0 H ALA A 68 -3.386 -8.200 -15.818 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.106 -8.920 -14.777 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.806 -6.705 -15.676 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.514 -6.533 -14.464 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.133 -6.396 -16.196 1.00 0.00 H new ATOM 1052 N GLY A 69 -4.910 -9.092 -17.779 1.00 0.00 N ATOM 1053 CA GLY A 69 -5.242 -9.583 -19.144 1.00 0.00 C ATOM 1054 C GLY A 69 -5.321 -8.398 -20.100 1.00 0.00 C ATOM 1055 O GLY A 69 -5.640 -8.550 -21.264 1.00 0.00 O ATOM 0 H GLY A 69 -3.921 -8.917 -17.603 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.484 -10.289 -19.483 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.192 -10.118 -19.130 1.00 0.00 H new ATOM 1059 N ILE A 70 -5.041 -7.212 -19.627 1.00 0.00 N ATOM 1060 CA ILE A 70 -5.114 -6.038 -20.531 1.00 0.00 C ATOM 1061 C ILE A 70 -3.713 -5.691 -21.029 1.00 0.00 C ATOM 1062 O ILE A 70 -2.799 -5.481 -20.257 1.00 0.00 O ATOM 1063 CB ILE A 70 -5.679 -4.828 -19.790 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -6.821 -5.258 -18.875 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -6.228 -3.831 -20.812 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -7.233 -4.068 -18.004 1.00 0.00 C ATOM 0 H ILE A 70 -4.768 -7.011 -18.665 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.765 -6.287 -21.369 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.886 -4.374 -19.195 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.669 -5.603 -19.467 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.508 -6.093 -18.249 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.634 -2.963 -20.292 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.425 -3.513 -21.477 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.017 -4.306 -21.396 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.049 -4.364 -17.345 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.382 -3.744 -17.404 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.561 -3.247 -18.641 1.00 0.00 H new ATOM 1078 N GLU A 71 -3.547 -5.618 -22.315 1.00 0.00 N ATOM 1079 CA GLU A 71 -2.217 -5.272 -22.876 1.00 0.00 C ATOM 1080 C GLU A 71 -2.180 -3.776 -23.167 1.00 0.00 C ATOM 1081 O GLU A 71 -3.196 -3.117 -23.210 1.00 0.00 O ATOM 1082 CB GLU A 71 -1.992 -6.057 -24.167 1.00 0.00 C ATOM 1083 CG GLU A 71 -3.058 -5.665 -25.195 1.00 0.00 C ATOM 1084 CD GLU A 71 -2.929 -6.553 -26.432 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -3.741 -6.407 -27.329 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -2.021 -7.367 -26.458 1.00 0.00 O ATOM 0 H GLU A 71 -4.279 -5.784 -23.006 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.432 -5.526 -22.163 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.997 -5.851 -24.562 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.040 -7.127 -23.967 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.052 -5.771 -24.761 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.942 -4.618 -25.473 1.00 0.00 H new ATOM 1094 N ALA A 72 -1.018 -3.232 -23.359 1.00 0.00 N ATOM 1095 CA ALA A 72 -0.924 -1.775 -23.640 1.00 0.00 C ATOM 1096 C ALA A 72 -1.612 -1.469 -24.972 1.00 0.00 C ATOM 1097 O ALA A 72 -2.065 -0.369 -25.213 1.00 0.00 O ATOM 1098 CB ALA A 72 0.543 -1.364 -23.710 1.00 0.00 C ATOM 0 H ALA A 72 -0.128 -3.730 -23.334 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.416 -1.216 -22.844 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.612 -0.296 -23.916 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.028 -1.582 -22.758 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.039 -1.920 -24.506 1.00 0.00 H new ATOM 1104 N GLY A 73 -1.690 -2.439 -25.840 1.00 0.00 N ATOM 1105 CA GLY A 73 -2.344 -2.213 -27.158 1.00 0.00 C ATOM 1106 C GLY A 73 -3.750 -1.645 -26.955 1.00 0.00 C ATOM 1107 O GLY A 73 -4.218 -0.842 -27.738 1.00 0.00 O ATOM 0 H GLY A 73 -1.328 -3.381 -25.692 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.747 -1.524 -27.756 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.398 -3.150 -27.712 1.00 0.00 H new ATOM 1111 N GLN A 74 -4.431 -2.044 -25.915 1.00 0.00 N ATOM 1112 CA GLN A 74 -5.804 -1.506 -25.690 1.00 0.00 C ATOM 1113 C GLN A 74 -5.752 -0.397 -24.638 1.00 0.00 C ATOM 1114 O GLN A 74 -6.753 0.213 -24.315 1.00 0.00 O ATOM 1115 CB GLN A 74 -6.745 -2.631 -25.242 1.00 0.00 C ATOM 1116 CG GLN A 74 -6.332 -3.159 -23.867 1.00 0.00 C ATOM 1117 CD GLN A 74 -6.687 -4.644 -23.770 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -5.848 -5.460 -23.455 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -7.907 -5.030 -24.029 1.00 0.00 N ATOM 0 H GLN A 74 -4.101 -2.712 -25.218 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.187 -1.091 -26.622 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.770 -2.262 -25.204 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.725 -3.442 -25.970 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.262 -3.018 -23.717 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.840 -2.599 -23.082 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.614 -4.344 -24.294 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.154 -6.018 -23.966 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.585 -0.123 -24.115 1.00 0.00 N ATOM 1129 CA LEU A 75 -4.454 0.958 -23.096 1.00 0.00 C ATOM 1130 C LEU A 75 -3.578 2.081 -23.636 1.00 0.00 C ATOM 1131 O LEU A 75 -2.635 1.856 -24.368 1.00 0.00 O ATOM 1132 CB LEU A 75 -3.761 0.437 -21.842 1.00 0.00 C ATOM 1133 CG LEU A 75 -4.510 -0.757 -21.271 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -3.552 -1.575 -20.411 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -5.655 -0.252 -20.398 1.00 0.00 C ATOM 0 H LEU A 75 -3.716 -0.603 -24.351 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.460 1.310 -22.866 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.736 0.150 -22.079 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.706 1.229 -21.095 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.903 -1.373 -22.079 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.079 -2.434 -19.996 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.719 -1.921 -21.023 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.173 -0.955 -19.599 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.198 -1.101 -19.984 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.253 0.353 -19.585 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.332 0.353 -21.001 1.00 0.00 H new ATOM 1147 N THR A 76 -3.850 3.281 -23.219 1.00 0.00 N ATOM 1148 CA THR A 76 -3.006 4.426 -23.634 1.00 0.00 C ATOM 1149 C THR A 76 -2.384 4.991 -22.360 1.00 0.00 C ATOM 1150 O THR A 76 -3.078 5.372 -21.440 1.00 0.00 O ATOM 1151 CB THR A 76 -3.862 5.485 -24.343 1.00 0.00 C ATOM 1152 OG1 THR A 76 -3.177 5.944 -25.497 1.00 0.00 O ATOM 1153 CG2 THR A 76 -4.133 6.670 -23.410 1.00 0.00 C ATOM 0 H THR A 76 -4.628 3.519 -22.603 1.00 0.00 H new ATOM 0 HA THR A 76 -2.232 4.117 -24.336 1.00 0.00 H new ATOM 0 HB THR A 76 -4.814 5.036 -24.626 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.721 6.619 -25.954 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.741 7.411 -23.930 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.664 6.322 -22.524 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.187 7.122 -23.112 1.00 0.00 H new ATOM 1161 N ILE A 77 -1.088 5.015 -22.268 1.00 0.00 N ATOM 1162 CA ILE A 77 -0.470 5.524 -21.017 1.00 0.00 C ATOM 1163 C ILE A 77 -0.618 7.036 -20.936 1.00 0.00 C ATOM 1164 O ILE A 77 0.211 7.779 -21.425 1.00 0.00 O ATOM 1165 CB ILE A 77 1.014 5.165 -20.968 1.00 0.00 C ATOM 1166 CG1 ILE A 77 1.177 3.643 -21.039 1.00 0.00 C ATOM 1167 CG2 ILE A 77 1.607 5.694 -19.658 1.00 0.00 C ATOM 1168 CD1 ILE A 77 1.358 3.072 -19.630 1.00 0.00 C ATOM 0 H ILE A 77 -0.438 4.710 -22.992 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.981 5.060 -20.173 1.00 0.00 H new ATOM 0 HB ILE A 77 1.535 5.615 -21.814 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.302 3.197 -21.512 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.038 3.389 -21.657 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.667 5.444 -19.611 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.488 6.777 -19.616 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.089 5.238 -18.814 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.473 1.990 -19.688 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.246 3.507 -19.172 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.484 3.312 -19.025 1.00 0.00 H new ATOM 1180 N ILE A 78 -1.640 7.502 -20.278 1.00 0.00 N ATOM 1181 CA ILE A 78 -1.800 8.969 -20.123 1.00 0.00 C ATOM 1182 C ILE A 78 -0.483 9.499 -19.616 1.00 0.00 C ATOM 1183 O ILE A 78 -0.007 10.548 -20.006 1.00 0.00 O ATOM 1184 CB ILE A 78 -2.854 9.275 -19.062 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -4.255 9.061 -19.635 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -2.688 10.723 -18.597 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -4.596 7.575 -19.592 1.00 0.00 C ATOM 0 H ILE A 78 -2.367 6.933 -19.844 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.098 9.416 -21.072 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.724 8.603 -18.213 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.986 9.630 -19.061 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.301 9.427 -20.661 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.437 10.950 -17.839 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.692 10.858 -18.175 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.816 11.395 -19.446 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.595 7.419 -20.000 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.871 7.018 -20.185 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.567 7.225 -18.560 1.00 0.00 H new ATOM 1199 N GLU A 79 0.095 8.764 -18.718 1.00 0.00 N ATOM 1200 CA GLU A 79 1.378 9.178 -18.120 1.00 0.00 C ATOM 1201 C GLU A 79 1.106 10.368 -17.204 1.00 0.00 C ATOM 1202 O GLU A 79 0.198 10.331 -16.397 1.00 0.00 O ATOM 1203 CB GLU A 79 2.356 9.554 -19.236 1.00 0.00 C ATOM 1204 CG GLU A 79 3.677 8.840 -18.982 1.00 0.00 C ATOM 1205 CD GLU A 79 4.683 9.213 -20.074 1.00 0.00 C ATOM 1206 OE1 GLU A 79 5.825 8.801 -19.964 1.00 0.00 O ATOM 1207 OE2 GLU A 79 4.291 9.900 -21.003 1.00 0.00 O ATOM 0 H GLU A 79 -0.276 7.880 -18.369 1.00 0.00 H new ATOM 0 HA GLU A 79 1.822 8.369 -17.540 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.951 9.268 -20.207 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.507 10.633 -19.259 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.069 9.117 -18.003 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.522 7.761 -18.970 1.00 0.00 H new ATOM 1215 N GLY A 80 1.861 11.419 -17.306 1.00 0.00 N ATOM 1216 CA GLY A 80 1.604 12.583 -16.421 1.00 0.00 C ATOM 1217 C GLY A 80 1.888 12.180 -14.977 1.00 0.00 C ATOM 1218 O GLY A 80 2.685 12.796 -14.299 1.00 0.00 O ATOM 0 H GLY A 80 2.639 11.524 -17.957 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.237 13.422 -16.709 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.570 12.913 -16.524 1.00 0.00 H new ATOM 1222 N PHE A 81 1.245 11.146 -14.497 1.00 0.00 N ATOM 1223 CA PHE A 81 1.491 10.714 -13.095 1.00 0.00 C ATOM 1224 C PHE A 81 2.322 9.430 -13.090 1.00 0.00 C ATOM 1225 O PHE A 81 1.896 8.398 -13.569 1.00 0.00 O ATOM 1226 CB PHE A 81 0.156 10.447 -12.395 1.00 0.00 C ATOM 1227 CG PHE A 81 0.395 10.280 -10.912 1.00 0.00 C ATOM 1228 CD1 PHE A 81 0.768 9.031 -10.399 1.00 0.00 C ATOM 1229 CD2 PHE A 81 0.254 11.376 -10.056 1.00 0.00 C ATOM 1230 CE1 PHE A 81 0.997 8.882 -9.025 1.00 0.00 C ATOM 1231 CE2 PHE A 81 0.484 11.228 -8.684 1.00 0.00 C ATOM 1232 CZ PHE A 81 0.855 9.981 -8.169 1.00 0.00 C ATOM 0 H PHE A 81 0.566 10.588 -15.014 1.00 0.00 H new ATOM 0 HA PHE A 81 2.030 11.503 -12.570 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.533 11.273 -12.573 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.309 9.550 -12.804 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.879 8.185 -11.061 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.033 12.338 -10.454 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.283 7.920 -8.626 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.375 12.075 -8.023 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.032 9.866 -7.110 1.00 0.00 H new ATOM 1242 N LYS A 82 3.497 9.485 -12.528 1.00 0.00 N ATOM 1243 CA LYS A 82 4.361 8.272 -12.454 1.00 0.00 C ATOM 1244 C LYS A 82 5.254 8.392 -11.236 1.00 0.00 C ATOM 1245 O LYS A 82 6.140 9.215 -11.186 1.00 0.00 O ATOM 1246 CB LYS A 82 5.243 8.153 -13.704 1.00 0.00 C ATOM 1247 CG LYS A 82 6.251 7.002 -13.531 1.00 0.00 C ATOM 1248 CD LYS A 82 7.408 7.432 -12.616 1.00 0.00 C ATOM 1249 CE LYS A 82 8.682 6.673 -13.000 1.00 0.00 C ATOM 1250 NZ LYS A 82 9.877 7.439 -12.543 1.00 0.00 N ATOM 0 H LYS A 82 3.900 10.325 -12.113 1.00 0.00 H new ATOM 0 HA LYS A 82 3.727 7.388 -12.389 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.622 7.974 -14.582 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.774 9.090 -13.875 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.749 6.132 -13.108 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.641 6.703 -14.504 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.573 8.506 -12.703 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.154 7.232 -11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.678 5.682 -12.547 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.720 6.529 -14.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.741 6.923 -12.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.883 8.375 -12.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.841 7.554 -11.510 1.00 0.00 H new ATOM 1264 N ARG A 83 5.043 7.569 -10.261 1.00 0.00 N ATOM 1265 CA ARG A 83 5.901 7.625 -9.051 1.00 0.00 C ATOM 1266 C ARG A 83 6.054 6.214 -8.504 1.00 0.00 C ATOM 1267 O ARG A 83 5.416 5.289 -8.967 1.00 0.00 O ATOM 1268 CB ARG A 83 5.274 8.536 -7.988 1.00 0.00 C ATOM 1269 CG ARG A 83 5.285 9.986 -8.481 1.00 0.00 C ATOM 1270 CD ARG A 83 6.730 10.441 -8.727 1.00 0.00 C ATOM 1271 NE ARG A 83 6.956 11.758 -8.074 1.00 0.00 N ATOM 1272 CZ ARG A 83 6.194 12.773 -8.375 1.00 0.00 C ATOM 1273 NH1 ARG A 83 5.255 12.644 -9.271 1.00 0.00 N ATOM 1274 NH2 ARG A 83 6.383 13.922 -7.784 1.00 0.00 N ATOM 0 H ARG A 83 4.313 6.857 -10.245 1.00 0.00 H new ATOM 0 HA ARG A 83 6.877 8.034 -9.312 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.252 8.220 -7.781 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.828 8.455 -7.053 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.706 10.071 -9.400 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.811 10.634 -7.744 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.427 9.703 -8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.921 10.517 -9.797 1.00 0.00 H new ATOM 0 HE ARG A 83 7.706 11.867 -7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.115 11.748 -9.738 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.660 13.439 -9.505 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.124 14.023 -7.090 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.790 14.719 -8.016 1.00 0.00 H new ATOM 1288 N GLU A 84 6.900 6.026 -7.537 1.00 0.00 N ATOM 1289 CA GLU A 84 7.087 4.660 -6.995 1.00 0.00 C ATOM 1290 C GLU A 84 6.089 4.399 -5.869 1.00 0.00 C ATOM 1291 O GLU A 84 6.265 4.833 -4.750 1.00 0.00 O ATOM 1292 CB GLU A 84 8.514 4.515 -6.469 1.00 0.00 C ATOM 1293 CG GLU A 84 9.497 4.709 -7.624 1.00 0.00 C ATOM 1294 CD GLU A 84 9.809 6.199 -7.788 1.00 0.00 C ATOM 1295 OE1 GLU A 84 9.256 6.988 -7.040 1.00 0.00 O ATOM 1296 OE2 GLU A 84 10.597 6.524 -8.660 1.00 0.00 O ATOM 0 H GLU A 84 7.466 6.754 -7.101 1.00 0.00 H new ATOM 0 HA GLU A 84 6.916 3.933 -7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.703 5.251 -5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.651 3.531 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.415 4.154 -7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.073 4.312 -8.546 1.00 0.00 H new ATOM 1304 N LEU A 85 5.054 3.658 -6.161 1.00 0.00 N ATOM 1305 CA LEU A 85 4.050 3.322 -5.116 1.00 0.00 C ATOM 1306 C LEU A 85 4.696 2.297 -4.190 1.00 0.00 C ATOM 1307 O LEU A 85 5.278 1.338 -4.644 1.00 0.00 O ATOM 1308 CB LEU A 85 2.815 2.694 -5.771 1.00 0.00 C ATOM 1309 CG LEU A 85 1.568 2.995 -4.930 1.00 0.00 C ATOM 1310 CD1 LEU A 85 0.756 4.110 -5.589 1.00 0.00 C ATOM 1311 CD2 LEU A 85 0.693 1.739 -4.814 1.00 0.00 C ATOM 0 H LEU A 85 4.862 3.270 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 85 3.745 4.215 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.688 3.087 -6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.950 1.616 -5.864 1.00 0.00 H new ATOM 0 HG LEU A 85 1.885 3.309 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.129 4.320 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.367 5.010 -5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.450 3.796 -6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.189 1.964 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.384 1.418 -5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.262 0.942 -4.336 1.00 0.00 H new ATOM 1323 N ASN A 86 4.635 2.495 -2.906 1.00 0.00 N ATOM 1324 CA ASN A 86 5.284 1.521 -1.987 1.00 0.00 C ATOM 1325 C ASN A 86 4.323 1.140 -0.861 1.00 0.00 C ATOM 1326 O ASN A 86 3.529 1.938 -0.408 1.00 0.00 O ATOM 1327 CB ASN A 86 6.546 2.153 -1.399 1.00 0.00 C ATOM 1328 CG ASN A 86 7.491 2.543 -2.538 1.00 0.00 C ATOM 1329 OD1 ASN A 86 7.224 2.146 -3.752 1.00 0.00 O flip ATOM 1330 ND2 ASN A 86 8.487 3.206 -2.319 1.00 0.00 N flip ATOM 0 H ASN A 86 4.168 3.282 -2.455 1.00 0.00 H new ATOM 0 HA ASN A 86 5.547 0.620 -2.541 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.286 3.032 -0.809 1.00 0.00 H new ATOM 0 HB3 ASN A 86 7.039 1.452 -0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.695 3.516 -1.370 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.114 3.452 -3.085 1.00 0.00 H new ATOM 1480 N THR A 95 9.104 -1.688 -3.547 1.00 0.00 N ATOM 1481 CA THR A 95 8.697 -0.486 -4.323 1.00 0.00 C ATOM 1482 C THR A 95 7.796 -0.882 -5.491 1.00 0.00 C ATOM 1483 O THR A 95 7.953 -1.919 -6.104 1.00 0.00 O ATOM 1484 CB THR A 95 9.937 0.235 -4.856 1.00 0.00 C ATOM 1485 OG1 THR A 95 10.420 1.137 -3.871 1.00 0.00 O ATOM 1486 CG2 THR A 95 9.570 1.007 -6.128 1.00 0.00 C ATOM 0 HA THR A 95 8.144 0.181 -3.661 1.00 0.00 H new ATOM 0 HB THR A 95 10.713 -0.495 -5.088 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.215 1.598 -4.211 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.452 1.521 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.201 0.312 -6.882 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.795 1.738 -5.899 1.00 0.00 H new ATOM 1494 N VAL A 96 6.847 -0.043 -5.794 1.00 0.00 N ATOM 1495 CA VAL A 96 5.909 -0.321 -6.912 1.00 0.00 C ATOM 1496 C VAL A 96 5.683 0.972 -7.700 1.00 0.00 C ATOM 1497 O VAL A 96 5.452 2.011 -7.127 1.00 0.00 O ATOM 1498 CB VAL A 96 4.597 -0.832 -6.317 1.00 0.00 C ATOM 1499 CG1 VAL A 96 3.469 -0.762 -7.350 1.00 0.00 C ATOM 1500 CG2 VAL A 96 4.793 -2.283 -5.868 1.00 0.00 C ATOM 0 H VAL A 96 6.680 0.837 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 96 6.313 -1.074 -7.589 1.00 0.00 H new ATOM 0 HB VAL A 96 4.322 -0.207 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.545 -1.131 -6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.331 0.271 -7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.727 -1.377 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.864 -2.660 -5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.073 -2.895 -6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.582 -2.328 -5.117 1.00 0.00 H new ATOM 1510 N ILE A 97 5.742 0.926 -9.005 1.00 0.00 N ATOM 1511 CA ILE A 97 5.523 2.174 -9.793 1.00 0.00 C ATOM 1512 C ILE A 97 4.150 2.100 -10.450 1.00 0.00 C ATOM 1513 O ILE A 97 3.758 1.082 -10.985 1.00 0.00 O ATOM 1514 CB ILE A 97 6.617 2.322 -10.845 1.00 0.00 C ATOM 1515 CG1 ILE A 97 7.928 1.796 -10.259 1.00 0.00 C ATOM 1516 CG2 ILE A 97 6.779 3.807 -11.196 1.00 0.00 C ATOM 1517 CD1 ILE A 97 9.109 2.436 -10.984 1.00 0.00 C ATOM 0 H ILE A 97 5.930 0.088 -9.554 1.00 0.00 H new ATOM 0 HA ILE A 97 5.564 3.044 -9.138 1.00 0.00 H new ATOM 0 HB ILE A 97 6.356 1.762 -11.743 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.978 2.021 -9.194 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.973 0.711 -10.358 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.560 3.920 -11.948 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.838 4.193 -11.589 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.054 4.365 -10.301 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.041 2.059 -10.564 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.062 2.188 -12.044 1.00 0.00 H new ATOM 0 HD13 ILE A 97 9.068 3.518 -10.862 1.00 0.00 H new ATOM 1529 N TYR A 98 3.400 3.164 -10.365 1.00 0.00 N ATOM 1530 CA TYR A 98 2.017 3.164 -10.921 1.00 0.00 C ATOM 1531 C TYR A 98 1.864 4.212 -12.033 1.00 0.00 C ATOM 1532 O TYR A 98 2.184 5.371 -11.858 1.00 0.00 O ATOM 1533 CB TYR A 98 1.071 3.511 -9.764 1.00 0.00 C ATOM 1534 CG TYR A 98 0.627 2.272 -9.006 1.00 0.00 C ATOM 1535 CD1 TYR A 98 1.249 1.025 -9.194 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.426 2.386 -8.095 1.00 0.00 C ATOM 1537 CE1 TYR A 98 0.810 -0.093 -8.474 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.860 1.271 -7.377 1.00 0.00 C ATOM 1539 CZ TYR A 98 -0.243 0.030 -7.566 1.00 0.00 C ATOM 1540 OH TYR A 98 -0.671 -1.070 -6.850 1.00 0.00 O ATOM 0 H TYR A 98 3.688 4.041 -9.931 1.00 0.00 H new ATOM 0 HA TYR A 98 1.790 2.189 -11.353 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.571 4.196 -9.079 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.196 4.031 -10.154 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.066 0.929 -9.894 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.906 3.342 -7.946 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.286 -1.051 -8.621 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.674 1.366 -6.674 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.233 -0.776 -6.103 1.00 0.00 H new ATOM 1550 N TRP A 99 1.351 3.808 -13.170 1.00 0.00 N ATOM 1551 CA TRP A 99 1.144 4.769 -14.297 1.00 0.00 C ATOM 1552 C TRP A 99 -0.348 4.893 -14.604 1.00 0.00 C ATOM 1553 O TRP A 99 -1.122 4.001 -14.332 1.00 0.00 O ATOM 1554 CB TRP A 99 1.847 4.267 -15.558 1.00 0.00 C ATOM 1555 CG TRP A 99 3.280 4.648 -15.520 1.00 0.00 C ATOM 1556 CD1 TRP A 99 3.779 5.840 -15.906 1.00 0.00 C ATOM 1557 CD2 TRP A 99 4.406 3.850 -15.081 1.00 0.00 C ATOM 1558 NE1 TRP A 99 5.149 5.826 -15.727 1.00 0.00 N ATOM 1559 CE2 TRP A 99 5.584 4.619 -15.216 1.00 0.00 C ATOM 1560 CE3 TRP A 99 4.516 2.547 -14.576 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 6.833 4.105 -14.869 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 5.765 2.026 -14.227 1.00 0.00 C ATOM 1563 CH2 TRP A 99 6.925 2.802 -14.368 1.00 0.00 C ATOM 0 H TRP A 99 1.066 2.849 -13.366 1.00 0.00 H new ATOM 0 HA TRP A 99 1.554 5.735 -14.002 1.00 0.00 H new ATOM 0 HB2 TRP A 99 1.751 3.184 -15.632 1.00 0.00 H new ATOM 0 HB3 TRP A 99 1.372 4.690 -16.443 1.00 0.00 H new ATOM 0 HD1 TRP A 99 3.203 6.668 -16.291 1.00 0.00 H new ATOM 0 HE1 TRP A 99 5.763 6.610 -15.945 1.00 0.00 H new ATOM 0 HE3 TRP A 99 3.630 1.942 -14.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.722 4.708 -14.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 5.838 1.018 -13.846 1.00 0.00 H new ATOM 0 HH2 TRP A 99 7.886 2.395 -14.091 1.00 0.00 H new ATOM 1574 N LEU A 100 -0.754 5.983 -15.193 1.00 0.00 N ATOM 1575 CA LEU A 100 -2.193 6.142 -15.540 1.00 0.00 C ATOM 1576 C LEU A 100 -2.470 5.439 -16.865 1.00 0.00 C ATOM 1577 O LEU A 100 -1.749 5.601 -17.829 1.00 0.00 O ATOM 1578 CB LEU A 100 -2.531 7.629 -15.662 1.00 0.00 C ATOM 1579 CG LEU A 100 -2.584 8.263 -14.271 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -2.833 9.768 -14.402 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -3.725 7.632 -13.466 1.00 0.00 C ATOM 0 H LEU A 100 -0.154 6.768 -15.448 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.810 5.700 -14.758 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.782 8.133 -16.273 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.490 7.754 -16.165 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.636 8.093 -13.761 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.871 10.218 -13.410 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.025 10.222 -14.976 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.781 9.937 -14.913 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.764 8.083 -12.474 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.671 7.803 -13.980 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.553 6.560 -13.370 1.00 0.00 H new ATOM 1593 N ALA A 101 -3.511 4.655 -16.918 1.00 0.00 N ATOM 1594 CA ALA A 101 -3.833 3.934 -18.179 1.00 0.00 C ATOM 1595 C ALA A 101 -5.345 3.959 -18.405 1.00 0.00 C ATOM 1596 O ALA A 101 -6.123 3.823 -17.480 1.00 0.00 O ATOM 1597 CB ALA A 101 -3.359 2.480 -18.069 1.00 0.00 C ATOM 0 H ALA A 101 -4.151 4.483 -16.143 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.330 4.419 -19.016 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.594 1.950 -18.992 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.282 2.460 -17.903 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.864 1.995 -17.233 1.00 0.00 H new ATOM 1603 N GLU A 102 -5.762 4.126 -19.629 1.00 0.00 N ATOM 1604 CA GLU A 102 -7.219 4.158 -19.928 1.00 0.00 C ATOM 1605 C GLU A 102 -7.556 3.047 -20.921 1.00 0.00 C ATOM 1606 O GLU A 102 -6.854 2.844 -21.890 1.00 0.00 O ATOM 1607 CB GLU A 102 -7.576 5.513 -20.544 1.00 0.00 C ATOM 1608 CG GLU A 102 -9.083 5.583 -20.791 1.00 0.00 C ATOM 1609 CD GLU A 102 -9.427 6.883 -21.519 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -8.519 7.661 -21.760 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -10.593 7.075 -21.823 1.00 0.00 O ATOM 0 H GLU A 102 -5.152 4.242 -20.438 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.786 4.011 -19.009 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.269 6.319 -19.878 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.037 5.651 -21.481 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.404 4.727 -21.384 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.619 5.533 -19.843 1.00 0.00 H new ATOM 1619 N VAL A 103 -8.623 2.328 -20.701 1.00 0.00 N ATOM 1620 CA VAL A 103 -8.980 1.245 -21.659 1.00 0.00 C ATOM 1621 C VAL A 103 -9.920 1.804 -22.722 1.00 0.00 C ATOM 1622 O VAL A 103 -11.000 2.277 -22.429 1.00 0.00 O ATOM 1623 CB VAL A 103 -9.672 0.089 -20.921 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -8.649 -0.670 -20.077 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -10.764 0.636 -20.003 1.00 0.00 C ATOM 0 H VAL A 103 -9.256 2.442 -19.909 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.070 0.870 -22.128 1.00 0.00 H new ATOM 0 HB VAL A 103 -10.115 -0.582 -21.657 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.144 -1.489 -19.555 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.869 -1.071 -20.724 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.204 0.008 -19.349 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.250 -0.190 -19.483 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.320 1.313 -19.273 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -11.502 1.175 -20.597 1.00 0.00 H new ATOM 1635 N LYS A 104 -9.525 1.742 -23.960 1.00 0.00 N ATOM 1636 CA LYS A 104 -10.407 2.252 -25.040 1.00 0.00 C ATOM 1637 C LYS A 104 -11.563 1.270 -25.201 1.00 0.00 C ATOM 1638 O LYS A 104 -12.523 1.513 -25.906 1.00 0.00 O ATOM 1639 CB LYS A 104 -9.605 2.371 -26.337 1.00 0.00 C ATOM 1640 CG LYS A 104 -8.937 1.032 -26.654 1.00 0.00 C ATOM 1641 CD LYS A 104 -7.768 1.264 -27.611 1.00 0.00 C ATOM 1642 CE LYS A 104 -6.659 2.024 -26.882 1.00 0.00 C ATOM 1643 NZ LYS A 104 -5.344 1.377 -27.156 1.00 0.00 N ATOM 0 H LYS A 104 -8.631 1.361 -24.270 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.798 3.239 -24.795 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.261 2.664 -27.156 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.850 3.151 -26.239 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.583 0.563 -25.736 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.659 0.350 -27.102 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.390 0.310 -27.979 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.102 1.831 -28.480 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.640 3.063 -27.211 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.855 2.033 -25.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.807 1.292 -26.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.500 0.431 -27.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.806 1.956 -27.832 1.00 0.00 H new ATOM 1657 N ASP A 105 -11.474 0.163 -24.517 1.00 0.00 N ATOM 1658 CA ASP A 105 -12.555 -0.853 -24.573 1.00 0.00 C ATOM 1659 C ASP A 105 -13.312 -0.830 -23.249 1.00 0.00 C ATOM 1660 O ASP A 105 -12.906 -1.438 -22.277 1.00 0.00 O ATOM 1661 CB ASP A 105 -11.950 -2.242 -24.782 1.00 0.00 C ATOM 1662 CG ASP A 105 -11.656 -2.457 -26.268 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -12.007 -1.591 -27.052 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -11.087 -3.484 -26.594 1.00 0.00 O ATOM 0 H ASP A 105 -10.687 -0.081 -23.915 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.229 -0.629 -25.400 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.033 -2.341 -24.202 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.638 -3.007 -24.423 1.00 0.00 H new ATOM 1670 N TYR A 106 -14.408 -0.135 -23.199 1.00 0.00 N ATOM 1671 CA TYR A 106 -15.189 -0.078 -21.935 1.00 0.00 C ATOM 1672 C TYR A 106 -15.548 -1.505 -21.524 1.00 0.00 C ATOM 1673 O TYR A 106 -15.743 -1.804 -20.363 1.00 0.00 O ATOM 1674 CB TYR A 106 -16.470 0.725 -22.171 1.00 0.00 C ATOM 1675 CG TYR A 106 -17.100 1.093 -20.847 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -17.896 0.167 -20.161 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -16.891 2.369 -20.310 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -18.481 0.517 -18.939 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -17.478 2.720 -19.087 1.00 0.00 C ATOM 1680 CZ TYR A 106 -18.272 1.794 -18.401 1.00 0.00 C ATOM 1681 OH TYR A 106 -18.849 2.140 -17.195 1.00 0.00 O ATOM 0 H TYR A 106 -14.798 0.397 -23.977 1.00 0.00 H new ATOM 0 HA TYR A 106 -14.604 0.400 -21.149 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -16.244 1.627 -22.739 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -17.171 0.140 -22.767 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -18.058 -0.817 -20.575 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.277 3.083 -20.839 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.094 -0.198 -18.410 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -17.318 3.705 -18.674 1.00 0.00 H new ATOM 0 HH TYR A 106 -18.674 3.086 -17.008 1.00 0.00 H new ATOM 1691 N ASP A 107 -15.639 -2.387 -22.482 1.00 0.00 N ATOM 1692 CA ASP A 107 -15.988 -3.805 -22.182 1.00 0.00 C ATOM 1693 C ASP A 107 -14.731 -4.674 -22.273 1.00 0.00 C ATOM 1694 O ASP A 107 -14.808 -5.871 -22.467 1.00 0.00 O ATOM 1695 CB ASP A 107 -17.017 -4.293 -23.203 1.00 0.00 C ATOM 1696 CG ASP A 107 -18.305 -3.484 -23.048 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -19.136 -3.554 -23.940 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -18.437 -2.807 -22.043 1.00 0.00 O ATOM 0 H ASP A 107 -15.485 -2.183 -23.470 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.402 -3.875 -21.176 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -16.624 -4.183 -24.214 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -17.220 -5.354 -23.054 1.00 0.00 H new ATOM 1704 N VAL A 108 -13.572 -4.084 -22.156 1.00 0.00 N ATOM 1705 CA VAL A 108 -12.316 -4.882 -22.259 1.00 0.00 C ATOM 1706 C VAL A 108 -12.466 -6.199 -21.502 1.00 0.00 C ATOM 1707 O VAL A 108 -13.192 -6.298 -20.532 1.00 0.00 O ATOM 1708 CB VAL A 108 -11.140 -4.091 -21.680 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -11.405 -3.748 -20.212 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -9.864 -4.931 -21.785 1.00 0.00 C ATOM 0 H VAL A 108 -13.440 -3.086 -21.994 1.00 0.00 H new ATOM 0 HA VAL A 108 -12.124 -5.093 -23.311 1.00 0.00 H new ATOM 0 HB VAL A 108 -11.021 -3.166 -22.244 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.561 -3.186 -19.812 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -12.311 -3.146 -20.137 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -11.532 -4.668 -19.641 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.025 -4.371 -21.374 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.991 -5.857 -21.225 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.667 -5.164 -22.831 1.00 0.00 H new ATOM 1720 N GLU A 109 -11.776 -7.214 -21.939 1.00 0.00 N ATOM 1721 CA GLU A 109 -11.862 -8.527 -21.254 1.00 0.00 C ATOM 1722 C GLU A 109 -10.715 -8.639 -20.253 1.00 0.00 C ATOM 1723 O GLU A 109 -9.579 -8.884 -20.611 1.00 0.00 O ATOM 1724 CB GLU A 109 -11.768 -9.650 -22.296 1.00 0.00 C ATOM 1725 CG GLU A 109 -11.109 -10.886 -21.678 1.00 0.00 C ATOM 1726 CD GLU A 109 -11.482 -12.127 -22.489 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -11.535 -12.024 -23.704 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -11.711 -13.159 -21.882 1.00 0.00 O ATOM 0 H GLU A 109 -11.153 -7.188 -22.746 1.00 0.00 H new ATOM 0 HA GLU A 109 -12.811 -8.614 -20.725 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.764 -9.903 -22.661 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.190 -9.312 -23.156 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.026 -10.763 -21.661 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.433 -11.004 -20.644 1.00 0.00 H new ATOM 1736 N ILE A 110 -11.003 -8.456 -18.998 1.00 0.00 N ATOM 1737 CA ILE A 110 -9.930 -8.547 -17.975 1.00 0.00 C ATOM 1738 C ILE A 110 -9.551 -10.008 -17.780 1.00 0.00 C ATOM 1739 O ILE A 110 -10.162 -10.719 -17.008 1.00 0.00 O ATOM 1740 CB ILE A 110 -10.432 -7.993 -16.648 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -11.119 -6.646 -16.878 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -9.244 -7.813 -15.705 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -10.173 -5.701 -17.582 1.00 0.00 C ATOM 0 H ILE A 110 -11.934 -8.248 -18.637 1.00 0.00 H new ATOM 0 HA ILE A 110 -9.067 -7.972 -18.309 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.150 -8.685 -16.207 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -12.020 -6.785 -17.475 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.431 -6.219 -15.925 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.593 -7.417 -14.752 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -8.760 -8.776 -15.542 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.530 -7.118 -16.147 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.668 -4.743 -17.743 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.285 -5.552 -16.968 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.883 -6.126 -18.543 1.00 0.00 H new ATOM 1755 N ARG A 111 -8.543 -10.464 -18.457 1.00 0.00 N ATOM 1756 CA ARG A 111 -8.141 -11.885 -18.280 1.00 0.00 C ATOM 1757 C ARG A 111 -7.096 -11.971 -17.180 1.00 0.00 C ATOM 1758 O ARG A 111 -6.052 -11.354 -17.242 1.00 0.00 O ATOM 1759 CB ARG A 111 -7.587 -12.446 -19.586 1.00 0.00 C ATOM 1760 CG ARG A 111 -8.743 -13.026 -20.395 1.00 0.00 C ATOM 1761 CD ARG A 111 -8.344 -13.126 -21.867 1.00 0.00 C ATOM 1762 NE ARG A 111 -7.288 -14.163 -22.018 1.00 0.00 N ATOM 1763 CZ ARG A 111 -6.599 -14.237 -23.122 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -6.835 -13.396 -24.093 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -5.668 -15.142 -23.251 1.00 0.00 N ATOM 0 H ARG A 111 -7.984 -9.925 -19.118 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.012 -12.478 -18.000 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -7.085 -11.661 -20.152 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.844 -13.217 -19.382 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -9.008 -14.012 -20.013 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.626 -12.395 -20.290 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -9.212 -13.382 -22.475 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.978 -12.163 -22.223 1.00 0.00 H new ATOM 0 HE ARG A 111 -7.103 -14.817 -21.257 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.557 -12.683 -23.986 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -6.297 -13.452 -24.958 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -5.479 -15.792 -22.488 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -5.129 -15.200 -24.115 1.00 0.00 H new ATOM 1779 N LEU A 112 -7.380 -12.721 -16.161 1.00 0.00 N ATOM 1780 CA LEU A 112 -6.415 -12.830 -15.040 1.00 0.00 C ATOM 1781 C LEU A 112 -5.554 -14.080 -15.217 1.00 0.00 C ATOM 1782 O LEU A 112 -6.002 -15.191 -15.005 1.00 0.00 O ATOM 1783 CB LEU A 112 -7.186 -12.931 -13.722 1.00 0.00 C ATOM 1784 CG LEU A 112 -8.395 -11.991 -13.751 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -9.088 -12.006 -12.390 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -7.933 -10.568 -14.056 1.00 0.00 C ATOM 0 H LEU A 112 -8.237 -13.263 -16.054 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.773 -11.949 -15.029 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.516 -13.957 -13.562 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.533 -12.672 -12.888 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.088 -12.326 -14.523 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.948 -11.337 -12.412 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.422 -13.018 -12.163 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.389 -11.674 -11.622 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.796 -9.902 -14.076 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.237 -10.238 -13.284 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.436 -10.547 -15.026 1.00 0.00 H new ATOM 1798 N SER A 113 -4.319 -13.912 -15.596 1.00 0.00 N ATOM 1799 CA SER A 113 -3.433 -15.096 -15.775 1.00 0.00 C ATOM 1800 C SER A 113 -3.137 -15.709 -14.405 1.00 0.00 C ATOM 1801 O SER A 113 -3.401 -15.110 -13.382 1.00 0.00 O ATOM 1802 CB SER A 113 -2.126 -14.661 -16.438 1.00 0.00 C ATOM 1803 OG SER A 113 -2.425 -13.909 -17.608 1.00 0.00 O ATOM 0 H SER A 113 -3.885 -13.009 -15.789 1.00 0.00 H new ATOM 0 HA SER A 113 -3.926 -15.834 -16.408 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.535 -14.061 -15.746 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.526 -15.534 -16.695 1.00 0.00 H new ATOM 0 HG SER A 113 -2.539 -12.965 -17.370 1.00 0.00 H new ATOM 1809 N HIS A 114 -2.595 -16.896 -14.373 1.00 0.00 N ATOM 1810 CA HIS A 114 -2.287 -17.539 -13.064 1.00 0.00 C ATOM 1811 C HIS A 114 -1.756 -16.482 -12.094 1.00 0.00 C ATOM 1812 O HIS A 114 -0.594 -16.127 -12.120 1.00 0.00 O ATOM 1813 CB HIS A 114 -1.228 -18.624 -13.270 1.00 0.00 C ATOM 1814 CG HIS A 114 -0.206 -18.543 -12.170 1.00 0.00 C ATOM 1815 ND1 HIS A 114 1.067 -18.028 -12.139 1.00 0.00 N flip ATOM 1816 CD2 HIS A 114 -0.457 -19.017 -10.890 1.00 0.00 C flip ATOM 1817 CE1 HIS A 114 1.599 -18.181 -10.865 1.00 0.00 C flip ATOM 1818 NE2 HIS A 114 0.643 -18.781 -10.149 1.00 0.00 N flip ATOM 0 H HIS A 114 -2.352 -17.448 -15.196 1.00 0.00 H new ATOM 0 HA HIS A 114 -3.191 -17.988 -12.653 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -1.696 -19.608 -13.274 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.746 -18.497 -14.239 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -1.367 -19.489 -10.550 1.00 0.00 H new ATOM 0 HE1 HIS A 114 2.578 -17.879 -10.525 1.00 0.00 H new ATOM 0 HE2 HIS A 114 0.735 -19.029 -9.164 1.00 0.00 H new ATOM 1827 N GLU A 115 -2.600 -15.968 -11.244 1.00 0.00 N ATOM 1828 CA GLU A 115 -2.146 -14.927 -10.275 1.00 0.00 C ATOM 1829 C GLU A 115 -3.360 -14.288 -9.609 1.00 0.00 C ATOM 1830 O GLU A 115 -3.540 -14.362 -8.410 1.00 0.00 O ATOM 1831 CB GLU A 115 -1.354 -13.845 -11.016 1.00 0.00 C ATOM 1832 CG GLU A 115 0.088 -13.837 -10.514 1.00 0.00 C ATOM 1833 CD GLU A 115 0.887 -12.797 -11.299 1.00 0.00 C ATOM 1834 OE1 GLU A 115 2.007 -12.518 -10.905 1.00 0.00 O ATOM 1835 OE2 GLU A 115 0.367 -12.301 -12.284 1.00 0.00 O ATOM 0 H GLU A 115 -3.585 -16.223 -11.177 1.00 0.00 H new ATOM 0 HA GLU A 115 -1.513 -15.392 -9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.376 -14.034 -12.089 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -1.812 -12.869 -10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.114 -13.605 -9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.534 -14.824 -10.636 1.00 0.00 H new ATOM 1843 N HIS A 116 -4.194 -13.650 -10.382 1.00 0.00 N ATOM 1844 CA HIS A 116 -5.394 -12.994 -9.798 1.00 0.00 C ATOM 1845 C HIS A 116 -6.658 -13.723 -10.252 1.00 0.00 C ATOM 1846 O HIS A 116 -6.752 -14.192 -11.368 1.00 0.00 O ATOM 1847 CB HIS A 116 -5.453 -11.542 -10.272 1.00 0.00 C ATOM 1848 CG HIS A 116 -4.230 -10.806 -9.799 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -2.997 -10.949 -10.420 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -4.033 -9.913 -8.775 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -2.121 -10.162 -9.770 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -2.702 -9.512 -8.761 1.00 0.00 N ATOM 0 H HIS A 116 -4.095 -13.555 -11.393 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.330 -13.029 -8.710 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -5.513 -11.506 -11.360 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -6.351 -11.060 -9.887 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -4.794 -9.575 -8.087 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -1.078 -10.068 -10.032 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -2.262 -8.857 -8.114 1.00 0.00 H new ATOM 1861 N GLN A 117 -7.635 -13.812 -9.397 1.00 0.00 N ATOM 1862 CA GLN A 117 -8.903 -14.493 -9.779 1.00 0.00 C ATOM 1863 C GLN A 117 -10.069 -13.553 -9.477 1.00 0.00 C ATOM 1864 O GLN A 117 -11.186 -13.977 -9.265 1.00 0.00 O ATOM 1865 CB GLN A 117 -9.061 -15.789 -8.975 1.00 0.00 C ATOM 1866 CG GLN A 117 -10.109 -16.679 -9.648 1.00 0.00 C ATOM 1867 CD GLN A 117 -10.289 -17.959 -8.832 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -10.736 -17.916 -7.703 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -9.962 -19.107 -9.361 1.00 0.00 N ATOM 0 H GLN A 117 -7.611 -13.442 -8.447 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.887 -14.740 -10.841 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.107 -16.312 -8.916 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -9.363 -15.561 -7.953 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -11.058 -16.148 -9.725 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.797 -16.923 -10.663 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.587 -19.143 -10.309 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.082 -19.967 -8.827 1.00 0.00 H new ATOM 1878 N ALA A 118 -9.813 -12.272 -9.447 1.00 0.00 N ATOM 1879 CA ALA A 118 -10.906 -11.303 -9.147 1.00 0.00 C ATOM 1880 C ALA A 118 -10.570 -9.936 -9.733 1.00 0.00 C ATOM 1881 O ALA A 118 -9.482 -9.428 -9.557 1.00 0.00 O ATOM 1882 CB ALA A 118 -11.046 -11.157 -7.635 1.00 0.00 C ATOM 0 H ALA A 118 -8.897 -11.856 -9.617 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.834 -11.672 -9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -11.844 -10.449 -7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.286 -12.126 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -10.108 -10.791 -7.216 1.00 0.00 H new ATOM 1888 N TYR A 119 -11.503 -9.322 -10.405 1.00 0.00 N ATOM 1889 CA TYR A 119 -11.245 -7.973 -10.973 1.00 0.00 C ATOM 1890 C TYR A 119 -12.569 -7.214 -11.085 1.00 0.00 C ATOM 1891 O TYR A 119 -13.569 -7.758 -11.510 1.00 0.00 O ATOM 1892 CB TYR A 119 -10.592 -8.120 -12.345 1.00 0.00 C ATOM 1893 CG TYR A 119 -11.613 -8.518 -13.373 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -11.960 -9.861 -13.525 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -12.189 -7.547 -14.191 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -12.889 -10.234 -14.501 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -13.114 -7.914 -15.171 1.00 0.00 C ATOM 1898 CZ TYR A 119 -13.467 -9.261 -15.327 1.00 0.00 C ATOM 1899 OH TYR A 119 -14.374 -9.627 -16.299 1.00 0.00 O ATOM 0 H TYR A 119 -12.434 -9.698 -10.585 1.00 0.00 H new ATOM 0 HA TYR A 119 -10.572 -7.414 -10.323 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -10.124 -7.179 -12.634 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -9.801 -8.869 -12.300 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -11.512 -10.611 -12.890 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -11.919 -6.509 -14.067 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -13.161 -11.273 -14.618 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -13.556 -7.161 -15.807 1.00 0.00 H new ATOM 0 HH TYR A 119 -14.678 -8.829 -16.780 1.00 0.00 H new ATOM 1909 N ARG A 120 -12.593 -5.965 -10.695 1.00 0.00 N ATOM 1910 CA ARG A 120 -13.868 -5.192 -10.767 1.00 0.00 C ATOM 1911 C ARG A 120 -13.602 -3.779 -11.281 1.00 0.00 C ATOM 1912 O ARG A 120 -12.533 -3.235 -11.114 1.00 0.00 O ATOM 1913 CB ARG A 120 -14.460 -5.041 -9.366 1.00 0.00 C ATOM 1914 CG ARG A 120 -14.534 -6.390 -8.660 1.00 0.00 C ATOM 1915 CD ARG A 120 -14.950 -6.164 -7.200 1.00 0.00 C ATOM 1916 NE ARG A 120 -16.429 -6.006 -7.121 1.00 0.00 N ATOM 1917 CZ ARG A 120 -17.056 -6.288 -6.011 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -16.388 -6.690 -4.967 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -18.350 -6.156 -5.945 1.00 0.00 N ATOM 0 H ARG A 120 -11.790 -5.450 -10.332 1.00 0.00 H new ATOM 0 HA ARG A 120 -14.546 -5.728 -11.432 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.850 -4.353 -8.781 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.457 -4.606 -9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -15.253 -7.039 -9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -13.567 -6.892 -8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.631 -7.006 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -14.458 -5.276 -6.804 1.00 0.00 H new ATOM 0 HE ARG A 120 -16.951 -5.678 -7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -15.374 -6.785 -5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -16.879 -6.910 -4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -18.872 -5.833 -6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -18.842 -6.376 -5.079 1.00 0.00 H new ATOM 1933 N TRP A 121 -14.600 -3.158 -11.844 1.00 0.00 N ATOM 1934 CA TRP A 121 -14.448 -1.751 -12.299 1.00 0.00 C ATOM 1935 C TRP A 121 -15.237 -0.887 -11.314 1.00 0.00 C ATOM 1936 O TRP A 121 -16.453 -0.911 -11.301 1.00 0.00 O ATOM 1937 CB TRP A 121 -15.021 -1.594 -13.709 1.00 0.00 C ATOM 1938 CG TRP A 121 -14.067 -2.165 -14.714 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -14.162 -3.396 -15.273 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -12.885 -1.545 -15.295 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -13.113 -3.566 -16.162 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -12.299 -2.452 -16.209 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -12.267 -0.295 -15.118 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -11.146 -2.126 -16.927 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -11.106 0.032 -15.837 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -10.548 -0.881 -16.738 1.00 0.00 C ATOM 0 H TRP A 121 -15.519 -3.568 -12.009 1.00 0.00 H new ATOM 0 HA TRP A 121 -13.399 -1.456 -12.329 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -15.983 -2.102 -13.779 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -15.200 -0.540 -13.923 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -14.930 -4.125 -15.060 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -12.961 -4.410 -16.714 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -12.688 0.418 -14.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -10.721 -2.833 -17.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -10.640 0.996 -15.693 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -9.655 -0.622 -17.287 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.567 -0.162 -10.454 1.00 0.00 N ATOM 1958 CA LEU A 122 -15.304 0.649 -9.438 1.00 0.00 C ATOM 1959 C LEU A 122 -14.868 2.115 -9.473 1.00 0.00 C ATOM 1960 O LEU A 122 -13.927 2.486 -10.145 1.00 0.00 O ATOM 1961 CB LEU A 122 -15.024 0.102 -8.037 1.00 0.00 C ATOM 1962 CG LEU A 122 -14.500 -1.336 -8.101 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -13.133 -1.402 -7.425 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -15.479 -2.275 -7.382 1.00 0.00 C ATOM 0 H LEU A 122 -13.550 -0.097 -10.411 1.00 0.00 H new ATOM 0 HA LEU A 122 -16.366 0.585 -9.673 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -14.294 0.736 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -15.937 0.134 -7.442 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.408 -1.646 -9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.755 -2.423 -7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.440 -0.737 -7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.227 -1.093 -6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -15.104 -3.297 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -15.575 -1.971 -6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -16.454 -2.224 -7.866 1.00 0.00 H new ATOM 1976 N GLY A 123 -15.553 2.944 -8.728 1.00 0.00 N ATOM 1977 CA GLY A 123 -15.204 4.394 -8.681 1.00 0.00 C ATOM 1978 C GLY A 123 -14.060 4.624 -7.688 1.00 0.00 C ATOM 1979 O GLY A 123 -13.532 3.699 -7.100 1.00 0.00 O ATOM 0 H GLY A 123 -16.346 2.675 -8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -14.911 4.739 -9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -16.076 4.977 -8.386 1.00 0.00 H new ATOM 1983 N LEU A 124 -13.673 5.857 -7.507 1.00 0.00 N ATOM 1984 CA LEU A 124 -12.561 6.176 -6.565 1.00 0.00 C ATOM 1985 C LEU A 124 -12.882 5.684 -5.152 1.00 0.00 C ATOM 1986 O LEU A 124 -12.073 5.049 -4.506 1.00 0.00 O ATOM 1987 CB LEU A 124 -12.368 7.693 -6.539 1.00 0.00 C ATOM 1988 CG LEU A 124 -11.428 8.099 -5.397 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -10.155 7.251 -5.419 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -11.048 9.570 -5.569 1.00 0.00 C ATOM 0 H LEU A 124 -14.083 6.665 -7.976 1.00 0.00 H new ATOM 0 HA LEU A 124 -11.653 5.676 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.958 8.029 -7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -13.333 8.186 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.938 7.943 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.501 7.555 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -10.416 6.199 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.639 7.394 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -10.379 9.870 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -10.545 9.706 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -11.948 10.184 -5.541 1.00 0.00 H new ATOM 2002 N GLU A 125 -14.046 5.985 -4.660 1.00 0.00 N ATOM 2003 CA GLU A 125 -14.397 5.553 -3.279 1.00 0.00 C ATOM 2004 C GLU A 125 -14.325 4.028 -3.158 1.00 0.00 C ATOM 2005 O GLU A 125 -13.664 3.501 -2.286 1.00 0.00 O ATOM 2006 CB GLU A 125 -15.809 6.042 -2.944 1.00 0.00 C ATOM 2007 CG GLU A 125 -16.852 5.131 -3.592 1.00 0.00 C ATOM 2008 CD GLU A 125 -18.234 5.764 -3.436 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -19.178 5.226 -3.989 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -18.322 6.779 -2.764 1.00 0.00 O ATOM 0 H GLU A 125 -14.770 6.510 -5.151 1.00 0.00 H new ATOM 0 HA GLU A 125 -13.684 5.984 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.950 6.056 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -15.940 7.065 -3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.621 4.987 -4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.834 4.147 -3.124 1.00 0.00 H new ATOM 2018 N GLU A 126 -14.990 3.308 -4.018 1.00 0.00 N ATOM 2019 CA GLU A 126 -14.940 1.823 -3.929 1.00 0.00 C ATOM 2020 C GLU A 126 -13.503 1.353 -4.136 1.00 0.00 C ATOM 2021 O GLU A 126 -13.047 0.411 -3.524 1.00 0.00 O ATOM 2022 CB GLU A 126 -15.834 1.212 -5.000 1.00 0.00 C ATOM 2023 CG GLU A 126 -15.852 -0.299 -4.826 1.00 0.00 C ATOM 2024 CD GLU A 126 -17.104 -0.879 -5.483 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -17.329 -2.068 -5.326 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -17.817 -0.129 -6.128 1.00 0.00 O ATOM 0 H GLU A 126 -15.563 3.682 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 126 -15.291 1.508 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -16.845 1.612 -4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -15.465 1.473 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -14.959 -0.737 -5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -15.835 -0.553 -3.766 1.00 0.00 H new ATOM 2034 N ALA A 127 -12.781 2.008 -4.992 1.00 0.00 N ATOM 2035 CA ALA A 127 -11.373 1.608 -5.222 1.00 0.00 C ATOM 2036 C ALA A 127 -10.567 1.937 -3.963 1.00 0.00 C ATOM 2037 O ALA A 127 -9.576 1.304 -3.658 1.00 0.00 O ATOM 2038 CB ALA A 127 -10.815 2.391 -6.410 1.00 0.00 C ATOM 0 H ALA A 127 -13.105 2.803 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 127 -11.310 0.541 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.779 2.100 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.407 2.173 -7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.861 3.459 -6.196 1.00 0.00 H new ATOM 2044 N CYS A 128 -10.992 2.939 -3.236 1.00 0.00 N ATOM 2045 CA CYS A 128 -10.263 3.342 -1.999 1.00 0.00 C ATOM 2046 C CYS A 128 -10.397 2.260 -0.921 1.00 0.00 C ATOM 2047 O CYS A 128 -9.451 1.954 -0.224 1.00 0.00 O ATOM 2048 CB CYS A 128 -10.842 4.662 -1.480 1.00 0.00 C ATOM 2049 SG CYS A 128 -10.960 4.604 0.327 1.00 0.00 S ATOM 0 H CYS A 128 -11.818 3.498 -3.449 1.00 0.00 H new ATOM 0 HA CYS A 128 -9.206 3.469 -2.234 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -10.209 5.494 -1.787 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -11.827 4.834 -1.914 1.00 0.00 H new ATOM 0 HG CYS A 128 -12.061 4.004 0.671 1.00 0.00 H new ATOM 2055 N GLN A 129 -11.555 1.676 -0.771 1.00 0.00 N ATOM 2056 CA GLN A 129 -11.712 0.619 0.273 1.00 0.00 C ATOM 2057 C GLN A 129 -10.881 -0.599 -0.116 1.00 0.00 C ATOM 2058 O GLN A 129 -10.118 -1.127 0.670 1.00 0.00 O ATOM 2059 CB GLN A 129 -13.182 0.187 0.407 1.00 0.00 C ATOM 2060 CG GLN A 129 -13.983 0.612 -0.823 1.00 0.00 C ATOM 2061 CD GLN A 129 -14.679 1.943 -0.541 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -13.974 2.951 -0.112 1.00 0.00 O flip ATOM 2063 NE2 GLN A 129 -15.875 2.065 -0.709 1.00 0.00 N flip ATOM 0 H GLN A 129 -12.391 1.881 -1.318 1.00 0.00 H new ATOM 0 HA GLN A 129 -11.376 1.028 1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -13.239 -0.895 0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -13.617 0.632 1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -13.323 0.710 -1.685 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -14.721 -0.151 -1.072 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -16.426 1.275 -1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -16.329 2.957 -0.514 1.00 0.00 H new ATOM 2072 N LEU A 130 -11.030 -1.053 -1.325 1.00 0.00 N ATOM 2073 CA LEU A 130 -10.263 -2.241 -1.775 1.00 0.00 C ATOM 2074 C LEU A 130 -8.760 -1.937 -1.720 1.00 0.00 C ATOM 2075 O LEU A 130 -7.969 -2.747 -1.277 1.00 0.00 O ATOM 2076 CB LEU A 130 -10.659 -2.561 -3.214 1.00 0.00 C ATOM 2077 CG LEU A 130 -12.184 -2.636 -3.340 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -12.546 -2.835 -4.806 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -12.735 -3.813 -2.529 1.00 0.00 C ATOM 0 H LEU A 130 -11.654 -0.650 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 130 -10.481 -3.089 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -10.269 -1.796 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -10.215 -3.509 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 130 -12.617 -1.711 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -13.630 -2.890 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -12.168 -1.997 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -12.100 -3.761 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -13.820 -3.849 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -12.304 -4.743 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -12.474 -3.685 -1.479 1.00 0.00 H new ATOM 2091 N ALA A 131 -8.361 -0.774 -2.163 1.00 0.00 N ATOM 2092 CA ALA A 131 -6.912 -0.420 -2.134 1.00 0.00 C ATOM 2093 C ALA A 131 -6.419 -0.402 -0.684 1.00 0.00 C ATOM 2094 O ALA A 131 -5.383 -0.948 -0.360 1.00 0.00 O ATOM 2095 CB ALA A 131 -6.722 0.965 -2.754 1.00 0.00 C ATOM 0 H ALA A 131 -8.976 -0.054 -2.543 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.343 -1.157 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.665 1.230 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -7.076 0.954 -3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -7.290 1.700 -2.184 1.00 0.00 H new ATOM 2101 N GLN A 132 -7.167 0.206 0.192 1.00 0.00 N ATOM 2102 CA GLN A 132 -6.775 0.253 1.632 1.00 0.00 C ATOM 2103 C GLN A 132 -5.332 0.756 1.802 1.00 0.00 C ATOM 2104 O GLN A 132 -4.864 0.926 2.910 1.00 0.00 O ATOM 2105 CB GLN A 132 -6.916 -1.153 2.236 1.00 0.00 C ATOM 2106 CG GLN A 132 -5.534 -1.747 2.540 1.00 0.00 C ATOM 2107 CD GLN A 132 -5.688 -3.216 2.945 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -5.964 -4.060 2.116 1.00 0.00 O ATOM 2109 NE2 GLN A 132 -5.516 -3.559 4.192 1.00 0.00 N ATOM 0 H GLN A 132 -8.044 0.679 -0.028 1.00 0.00 H new ATOM 0 HA GLN A 132 -7.433 0.950 2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -7.507 -1.105 3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -7.453 -1.801 1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -4.891 -1.666 1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -5.053 -1.186 3.342 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -5.284 -2.851 4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -5.613 -4.535 4.470 1.00 0.00 H new ATOM 2118 N PHE A 133 -4.616 1.004 0.735 1.00 0.00 N ATOM 2119 CA PHE A 133 -3.211 1.491 0.897 1.00 0.00 C ATOM 2120 C PHE A 133 -3.170 3.016 0.726 1.00 0.00 C ATOM 2121 O PHE A 133 -3.815 3.569 -0.143 1.00 0.00 O ATOM 2122 CB PHE A 133 -2.312 0.840 -0.150 1.00 0.00 C ATOM 2123 CG PHE A 133 -2.748 -0.586 -0.406 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -2.658 -1.540 0.615 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -3.237 -0.957 -1.668 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -3.053 -2.862 0.375 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -3.632 -2.276 -1.907 1.00 0.00 C ATOM 2128 CZ PHE A 133 -3.542 -3.229 -0.886 1.00 0.00 C ATOM 0 H PHE A 133 -4.936 0.893 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 133 -2.856 1.226 1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -2.351 1.411 -1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -1.277 0.855 0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -2.284 -1.256 1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -3.308 -0.222 -2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -2.981 -3.599 1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -4.007 -2.560 -2.879 1.00 0.00 H new ATOM 0 HZ PHE A 133 -3.850 -4.248 -1.070 1.00 0.00 H new ATOM 2138 N LYS A 134 -2.426 3.700 1.560 1.00 0.00 N ATOM 2139 CA LYS A 134 -2.353 5.191 1.462 1.00 0.00 C ATOM 2140 C LYS A 134 -1.735 5.616 0.129 1.00 0.00 C ATOM 2141 O LYS A 134 -2.302 6.402 -0.603 1.00 0.00 O ATOM 2142 CB LYS A 134 -1.489 5.731 2.600 1.00 0.00 C ATOM 2143 CG LYS A 134 -1.525 7.259 2.590 1.00 0.00 C ATOM 2144 CD LYS A 134 -0.719 7.799 3.772 1.00 0.00 C ATOM 2145 CE LYS A 134 0.762 7.461 3.580 1.00 0.00 C ATOM 2146 NZ LYS A 134 1.601 8.495 4.250 1.00 0.00 N ATOM 0 H LYS A 134 -1.865 3.289 2.306 1.00 0.00 H new ATOM 0 HA LYS A 134 -3.364 5.592 1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.853 5.355 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -0.463 5.381 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -1.114 7.636 1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -2.556 7.609 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -0.849 8.878 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -1.084 7.365 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 134 0.978 6.477 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 134 1.001 7.417 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 2.607 8.264 4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 1.402 9.427 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 1.380 8.516 5.266 1.00 0.00 H new ATOM 2160 N GLU A 135 -0.578 5.109 -0.194 1.00 0.00 N ATOM 2161 CA GLU A 135 0.063 5.496 -1.481 1.00 0.00 C ATOM 2162 C GLU A 135 -0.846 5.070 -2.621 1.00 0.00 C ATOM 2163 O GLU A 135 -1.004 5.770 -3.599 1.00 0.00 O ATOM 2164 CB GLU A 135 1.422 4.809 -1.587 1.00 0.00 C ATOM 2165 CG GLU A 135 2.312 5.313 -0.446 1.00 0.00 C ATOM 2166 CD GLU A 135 3.715 4.714 -0.571 1.00 0.00 C ATOM 2167 OE1 GLU A 135 4.571 5.090 0.215 1.00 0.00 O ATOM 2168 OE2 GLU A 135 3.910 3.896 -1.448 1.00 0.00 O ATOM 0 H GLU A 135 -0.051 4.446 0.375 1.00 0.00 H new ATOM 0 HA GLU A 135 0.214 6.574 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 135 1.305 3.727 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.882 5.027 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.369 6.401 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 135 1.875 5.039 0.515 1.00 0.00 H new ATOM 2176 N MET A 136 -1.477 3.939 -2.487 1.00 0.00 N ATOM 2177 CA MET A 136 -2.410 3.476 -3.545 1.00 0.00 C ATOM 2178 C MET A 136 -3.633 4.385 -3.545 1.00 0.00 C ATOM 2179 O MET A 136 -4.122 4.792 -4.580 1.00 0.00 O ATOM 2180 CB MET A 136 -2.836 2.046 -3.235 1.00 0.00 C ATOM 2181 CG MET A 136 -3.214 1.306 -4.512 1.00 0.00 C ATOM 2182 SD MET A 136 -3.921 2.458 -5.706 1.00 0.00 S ATOM 2183 CE MET A 136 -4.268 1.219 -6.968 1.00 0.00 C ATOM 0 H MET A 136 -1.385 3.314 -1.686 1.00 0.00 H new ATOM 0 HA MET A 136 -1.926 3.508 -4.521 1.00 0.00 H new ATOM 0 HB2 MET A 136 -2.024 1.521 -2.732 1.00 0.00 H new ATOM 0 HB3 MET A 136 -3.684 2.055 -2.550 1.00 0.00 H new ATOM 0 HG2 MET A 136 -2.334 0.824 -4.937 1.00 0.00 H new ATOM 0 HG3 MET A 136 -3.932 0.517 -4.286 1.00 0.00 H new ATOM 0 HE1 MET A 136 -3.669 1.426 -7.855 1.00 0.00 H new ATOM 0 HE2 MET A 136 -4.019 0.229 -6.585 1.00 0.00 H new ATOM 0 HE3 MET A 136 -5.326 1.252 -7.229 1.00 0.00 H new ATOM 2193 N LYS A 137 -4.123 4.716 -2.382 1.00 0.00 N ATOM 2194 CA LYS A 137 -5.310 5.603 -2.304 1.00 0.00 C ATOM 2195 C LYS A 137 -4.985 6.932 -2.986 1.00 0.00 C ATOM 2196 O LYS A 137 -5.744 7.425 -3.798 1.00 0.00 O ATOM 2197 CB LYS A 137 -5.658 5.854 -0.837 1.00 0.00 C ATOM 2198 CG LYS A 137 -6.936 6.686 -0.755 1.00 0.00 C ATOM 2199 CD LYS A 137 -7.243 7.000 0.709 1.00 0.00 C ATOM 2200 CE LYS A 137 -8.569 7.756 0.798 1.00 0.00 C ATOM 2201 NZ LYS A 137 -8.860 8.090 2.219 1.00 0.00 N ATOM 0 H LYS A 137 -3.750 4.409 -1.484 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.158 5.132 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.794 4.906 -0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.839 6.375 -0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.818 7.611 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.767 6.142 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -7.298 6.077 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.441 7.599 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -8.520 8.668 0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -9.374 7.148 0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -9.762 8.604 2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -8.924 7.214 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -8.097 8.686 2.599 1.00 0.00 H new ATOM 2215 N ALA A 138 -3.854 7.511 -2.680 1.00 0.00 N ATOM 2216 CA ALA A 138 -3.484 8.794 -3.331 1.00 0.00 C ATOM 2217 C ALA A 138 -3.212 8.532 -4.812 1.00 0.00 C ATOM 2218 O ALA A 138 -3.463 9.365 -5.660 1.00 0.00 O ATOM 2219 CB ALA A 138 -2.234 9.375 -2.672 1.00 0.00 C ATOM 0 H ALA A 138 -3.175 7.150 -2.010 1.00 0.00 H new ATOM 0 HA ALA A 138 -4.300 9.509 -3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -1.971 10.315 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -2.430 9.554 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.408 8.671 -2.774 1.00 0.00 H new ATOM 2225 N ALA A 139 -2.710 7.367 -5.133 1.00 0.00 N ATOM 2226 CA ALA A 139 -2.436 7.042 -6.558 1.00 0.00 C ATOM 2227 C ALA A 139 -3.752 7.119 -7.327 1.00 0.00 C ATOM 2228 O ALA A 139 -3.828 7.665 -8.410 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.876 5.624 -6.650 1.00 0.00 C ATOM 0 H ALA A 139 -2.479 6.629 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.714 7.743 -6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.673 5.380 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.952 5.560 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -2.603 4.919 -6.247 1.00 0.00 H new ATOM 2235 N LEU A 140 -4.794 6.585 -6.755 1.00 0.00 N ATOM 2236 CA LEU A 140 -6.124 6.633 -7.419 1.00 0.00 C ATOM 2237 C LEU A 140 -6.679 8.052 -7.312 1.00 0.00 C ATOM 2238 O LEU A 140 -7.252 8.581 -8.245 1.00 0.00 O ATOM 2239 CB LEU A 140 -7.071 5.665 -6.710 1.00 0.00 C ATOM 2240 CG LEU A 140 -6.652 4.228 -7.018 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -7.010 3.331 -5.834 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -7.393 3.747 -8.261 1.00 0.00 C ATOM 0 H LEU A 140 -4.780 6.114 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 140 -6.029 6.351 -8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -7.049 5.839 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -8.096 5.835 -7.039 1.00 0.00 H new ATOM 0 HG LEU A 140 -5.577 4.187 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -6.712 2.305 -6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -6.488 3.679 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -8.086 3.368 -5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -7.098 2.722 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.467 3.785 -8.081 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -7.143 4.390 -9.105 1.00 0.00 H new ATOM 2254 N GLN A 141 -6.508 8.670 -6.175 1.00 0.00 N ATOM 2255 CA GLN A 141 -7.018 10.054 -5.990 1.00 0.00 C ATOM 2256 C GLN A 141 -6.164 11.025 -6.803 1.00 0.00 C ATOM 2257 O GLN A 141 -6.674 11.825 -7.560 1.00 0.00 O ATOM 2258 CB GLN A 141 -6.959 10.416 -4.502 1.00 0.00 C ATOM 2259 CG GLN A 141 -6.401 11.829 -4.322 1.00 0.00 C ATOM 2260 CD GLN A 141 -6.572 12.252 -2.861 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -7.176 11.449 -2.031 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -6.148 13.323 -2.473 1.00 0.00 N flip ATOM 0 H GLN A 141 -6.035 8.272 -5.364 1.00 0.00 H new ATOM 0 HA GLN A 141 -8.050 10.119 -6.335 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -7.956 10.353 -4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -6.332 9.700 -3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -5.348 11.856 -4.600 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -6.922 12.526 -4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -5.675 13.950 -3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -6.265 13.594 -1.497 1.00 0.00 H new ATOM 2271 N GLU A 142 -4.865 10.957 -6.668 1.00 0.00 N ATOM 2272 CA GLU A 142 -3.998 11.876 -7.452 1.00 0.00 C ATOM 2273 C GLU A 142 -4.146 11.526 -8.931 1.00 0.00 C ATOM 2274 O GLU A 142 -4.155 12.387 -9.789 1.00 0.00 O ATOM 2275 CB GLU A 142 -2.538 11.712 -7.022 1.00 0.00 C ATOM 2276 CG GLU A 142 -2.383 12.129 -5.556 1.00 0.00 C ATOM 2277 CD GLU A 142 -2.744 13.606 -5.397 1.00 0.00 C ATOM 2278 OE1 GLU A 142 -2.805 14.293 -6.403 1.00 0.00 O ATOM 2279 OE2 GLU A 142 -2.949 14.024 -4.271 1.00 0.00 O ATOM 0 H GLU A 142 -4.373 10.309 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 142 -4.295 12.910 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -2.225 10.676 -7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -1.892 12.321 -7.654 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -3.027 11.518 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -1.358 11.958 -5.226 1.00 0.00 H new ATOM 2287 N GLY A 143 -4.283 10.262 -9.231 1.00 0.00 N ATOM 2288 CA GLY A 143 -4.452 9.851 -10.650 1.00 0.00 C ATOM 2289 C GLY A 143 -5.744 10.465 -11.184 1.00 0.00 C ATOM 2290 O GLY A 143 -5.782 11.010 -12.265 1.00 0.00 O ATOM 0 H GLY A 143 -4.285 9.499 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.601 10.184 -11.244 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.489 8.764 -10.727 1.00 0.00 H new ATOM 2294 N HIS A 144 -6.800 10.395 -10.417 1.00 0.00 N ATOM 2295 CA HIS A 144 -8.091 10.989 -10.869 1.00 0.00 C ATOM 2296 C HIS A 144 -7.904 12.486 -11.103 1.00 0.00 C ATOM 2297 O HIS A 144 -8.456 13.058 -12.021 1.00 0.00 O ATOM 2298 CB HIS A 144 -9.156 10.781 -9.786 1.00 0.00 C ATOM 2299 CG HIS A 144 -10.157 9.754 -10.241 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -10.702 8.823 -9.368 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -10.724 9.497 -11.467 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -11.556 8.057 -10.071 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -11.602 8.425 -11.353 1.00 0.00 N ATOM 0 H HIS A 144 -6.824 9.953 -9.498 1.00 0.00 H new ATOM 0 HA HIS A 144 -8.408 10.507 -11.794 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -8.685 10.456 -8.858 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -9.660 11.724 -9.574 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -10.493 8.735 -8.374 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -10.519 10.043 -12.376 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -12.132 7.246 -9.651 1.00 0.00 H new ATOM 2312 N GLN A 145 -7.131 13.128 -10.268 1.00 0.00 N ATOM 2313 CA GLN A 145 -6.906 14.592 -10.424 1.00 0.00 C ATOM 2314 C GLN A 145 -6.388 14.891 -11.833 1.00 0.00 C ATOM 2315 O GLN A 145 -6.858 15.794 -12.496 1.00 0.00 O ATOM 2316 CB GLN A 145 -5.867 15.049 -9.396 1.00 0.00 C ATOM 2317 CG GLN A 145 -5.704 16.566 -9.462 1.00 0.00 C ATOM 2318 CD GLN A 145 -6.901 17.240 -8.791 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -7.268 16.895 -7.685 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -7.526 18.199 -9.415 1.00 0.00 N ATOM 0 H GLN A 145 -6.644 12.698 -9.482 1.00 0.00 H new ATOM 0 HA GLN A 145 -7.845 15.123 -10.267 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -6.178 14.751 -8.395 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -4.911 14.563 -9.591 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -4.780 16.865 -8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -5.627 16.889 -10.500 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.218 18.489 -10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -8.323 18.659 -8.975 1.00 0.00 H new ATOM 2329 N PHE A 146 -5.424 14.144 -12.294 1.00 0.00 N ATOM 2330 CA PHE A 146 -4.877 14.387 -13.662 1.00 0.00 C ATOM 2331 C PHE A 146 -5.972 14.125 -14.699 1.00 0.00 C ATOM 2332 O PHE A 146 -6.190 14.909 -15.600 1.00 0.00 O ATOM 2333 CB PHE A 146 -3.707 13.432 -13.918 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.974 13.833 -15.185 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.590 13.688 -16.435 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.674 14.351 -15.106 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -2.908 14.057 -17.598 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -0.995 14.716 -16.276 1.00 0.00 C ATOM 2339 CZ PHE A 146 -1.617 14.568 -17.519 1.00 0.00 C ATOM 0 H PHE A 146 -4.990 13.375 -11.784 1.00 0.00 H new ATOM 0 HA PHE A 146 -4.534 15.419 -13.739 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -3.021 13.449 -13.071 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -4.075 12.410 -14.009 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.592 13.291 -16.500 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -1.196 14.469 -14.145 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -3.385 13.945 -18.561 1.00 0.00 H new ATOM 0 HE2 PHE A 146 0.008 15.111 -16.217 1.00 0.00 H new ATOM 0 HZ PHE A 146 -1.094 14.851 -18.420 1.00 0.00 H new ATOM 2349 N LEU A 147 -6.651 13.014 -14.582 1.00 0.00 N ATOM 2350 CA LEU A 147 -7.723 12.675 -15.564 1.00 0.00 C ATOM 2351 C LEU A 147 -8.706 13.840 -15.691 1.00 0.00 C ATOM 2352 O LEU A 147 -9.120 14.196 -16.777 1.00 0.00 O ATOM 2353 CB LEU A 147 -8.468 11.425 -15.091 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.470 10.283 -14.893 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.219 9.010 -14.507 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -6.702 10.045 -16.192 1.00 0.00 C ATOM 0 H LEU A 147 -6.508 12.324 -13.845 1.00 0.00 H new ATOM 0 HA LEU A 147 -7.270 12.486 -16.537 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -8.991 11.632 -14.157 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -9.223 11.140 -15.823 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.771 10.548 -14.100 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -7.507 8.197 -14.366 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.767 9.177 -13.580 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.919 8.746 -15.299 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -5.991 9.231 -16.050 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -7.402 9.782 -16.985 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.165 10.952 -16.468 1.00 0.00 H new ATOM 2368 N CYS A 148 -9.075 14.442 -14.596 1.00 0.00 N ATOM 2369 CA CYS A 148 -10.024 15.589 -14.664 1.00 0.00 C ATOM 2370 C CYS A 148 -9.426 16.683 -15.550 1.00 0.00 C ATOM 2371 O CYS A 148 -10.134 17.449 -16.176 1.00 0.00 O ATOM 2372 CB CYS A 148 -10.262 16.141 -13.258 1.00 0.00 C ATOM 2373 SG CYS A 148 -11.129 14.903 -12.261 1.00 0.00 S ATOM 0 H CYS A 148 -8.762 14.191 -13.658 1.00 0.00 H new ATOM 0 HA CYS A 148 -10.973 15.255 -15.084 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -9.311 16.398 -12.791 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -10.850 17.058 -13.310 1.00 0.00 H new ATOM 0 HG CYS A 148 -10.305 13.950 -11.939 1.00 0.00 H new ATOM 2379 N SER A 149 -8.126 16.764 -15.602 1.00 0.00 N ATOM 2380 CA SER A 149 -7.468 17.806 -16.441 1.00 0.00 C ATOM 2381 C SER A 149 -7.402 17.342 -17.898 1.00 0.00 C ATOM 2382 O SER A 149 -7.050 18.098 -18.781 1.00 0.00 O ATOM 2383 CB SER A 149 -6.041 18.028 -15.938 1.00 0.00 C ATOM 2384 OG SER A 149 -5.530 19.235 -16.486 1.00 0.00 O ATOM 0 H SER A 149 -7.487 16.150 -15.097 1.00 0.00 H new ATOM 0 HA SER A 149 -8.044 18.729 -16.376 1.00 0.00 H new ATOM 0 HB2 SER A 149 -6.031 18.077 -14.849 1.00 0.00 H new ATOM 0 HB3 SER A 149 -5.408 17.189 -16.225 1.00 0.00 H new ATOM 0 HG SER A 149 -5.768 19.290 -17.435 1.00 0.00 H new ATOM 2390 N ILE A 150 -7.722 16.106 -18.155 1.00 0.00 N ATOM 2391 CA ILE A 150 -7.656 15.601 -19.549 1.00 0.00 C ATOM 2392 C ILE A 150 -9.017 15.740 -20.207 1.00 0.00 C ATOM 2393 O ILE A 150 -9.751 16.678 -19.969 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.262 14.124 -19.529 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.082 13.935 -18.582 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -6.860 13.685 -20.937 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -5.526 12.516 -18.735 1.00 0.00 C ATOM 0 H ILE A 150 -8.026 15.425 -17.459 1.00 0.00 H new ATOM 0 HA ILE A 150 -6.919 16.177 -20.109 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.106 13.523 -19.190 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.305 14.667 -18.802 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.398 14.104 -17.553 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -6.579 12.632 -20.923 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.700 13.828 -21.616 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.014 14.282 -21.277 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -4.682 12.381 -18.058 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.304 11.792 -18.494 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -5.195 12.364 -19.762 1.00 0.00 H new ATOM 2409 N GLU A 151 -9.358 14.798 -21.026 1.00 0.00 N ATOM 2410 CA GLU A 151 -10.675 14.840 -21.706 1.00 0.00 C ATOM 2411 C GLU A 151 -11.695 14.122 -20.832 1.00 0.00 C ATOM 2412 O GLU A 151 -12.770 13.750 -21.257 1.00 0.00 O ATOM 2413 CB GLU A 151 -10.562 14.170 -23.079 1.00 0.00 C ATOM 2414 CG GLU A 151 -11.908 14.242 -23.794 1.00 0.00 C ATOM 2415 CD GLU A 151 -11.735 13.820 -25.256 1.00 0.00 C ATOM 2416 OE1 GLU A 151 -12.708 13.879 -25.989 1.00 0.00 O ATOM 2417 OE2 GLU A 151 -10.630 13.448 -25.618 1.00 0.00 O ATOM 0 H GLU A 151 -8.777 13.992 -21.258 1.00 0.00 H new ATOM 0 HA GLU A 151 -10.996 15.871 -21.856 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -9.795 14.665 -23.675 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -10.255 13.131 -22.964 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -12.629 13.591 -23.300 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -12.305 15.256 -23.742 1.00 0.00 H new ATOM 2425 N ALA A 152 -11.346 13.934 -19.598 1.00 0.00 N ATOM 2426 CA ALA A 152 -12.265 13.246 -18.649 1.00 0.00 C ATOM 2427 C ALA A 152 -13.465 14.150 -18.357 1.00 0.00 C ATOM 2428 O ALA A 152 -14.589 13.696 -18.265 1.00 0.00 O ATOM 2429 CB ALA A 152 -11.520 12.947 -17.347 1.00 0.00 C ATOM 0 H ALA A 152 -10.455 14.229 -19.197 1.00 0.00 H new ATOM 0 HA ALA A 152 -12.614 12.312 -19.090 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -12.191 12.443 -16.651 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -10.665 12.304 -17.556 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -11.172 13.880 -16.904 1.00 0.00 H new ATOM 2435 N LEU A 153 -13.233 15.426 -18.213 1.00 0.00 N ATOM 2436 CA LEU A 153 -14.357 16.364 -17.929 1.00 0.00 C ATOM 2437 C LEU A 153 -15.319 16.372 -19.117 1.00 0.00 C ATOM 2438 O LEU A 153 -15.109 15.665 -20.100 1.00 0.00 O ATOM 2439 CB LEU A 153 -13.807 17.776 -17.707 1.00 0.00 C ATOM 2440 CG LEU A 153 -14.945 18.716 -17.293 1.00 0.00 C ATOM 2441 CD1 LEU A 153 -15.203 18.586 -15.790 1.00 0.00 C ATOM 2442 CD2 LEU A 153 -14.556 20.160 -17.614 1.00 0.00 C ATOM 0 H LEU A 153 -12.313 15.860 -18.280 1.00 0.00 H new ATOM 0 HA LEU A 153 -14.884 16.039 -17.032 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -13.037 17.759 -16.935 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -13.335 18.140 -18.620 1.00 0.00 H new ATOM 0 HG LEU A 153 -15.848 18.448 -17.841 1.00 0.00 H new ATOM 0 HD11 LEU A 153 -16.013 19.256 -15.501 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -15.481 17.558 -15.556 1.00 0.00 H new ATOM 0 HD13 LEU A 153 -14.299 18.851 -15.241 1.00 0.00 H new ATOM 0 HD21 LEU A 153 -15.365 20.829 -17.320 1.00 0.00 H new ATOM 0 HD22 LEU A 153 -13.651 20.423 -17.067 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -14.375 20.259 -18.684 1.00 0.00 H new