USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=27 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 -84:sc= 0.122 USER MOD Set 1.2: A 129 GLN :FLIP amide:sc= -6.63! C(o=-10!,f=-6.5!) USER MOD Set 2.1: A 19 CYS SG : rot 47:sc= 1.12 USER MOD Set 2.2: A 106 TYR OH : rot -7:sc= 1.46 USER MOD Set 3.1: A 86 ASN :FLIP amide:sc= -4.27! C(o=-12!,f=-4.3!) USER MOD Set 3.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 44 THR OG1 : rot 180:sc= -0.555 USER MOD Set 4.2: A 98 TYR OH : rot 150:sc= 0 USER MOD Single : A 11 CYS SG : rot -62:sc= -12.7! USER MOD Single : A 35 GLN : amide:sc= -0.644 K(o=-0.64,f=-1.9!) USER MOD Single : A 37 SER OG : rot -13:sc= 0.319 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -1.71 F(o=-5.2!,f=-1.7) USER MOD Single : A 47 LYS NZ :NH3+ -126:sc= -1.15! (180deg=-5.28!) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -3.11! C(o=-8.6!,f=-3.1!) USER MOD Single : A 59 THR OG1 : rot -60:sc= -4.84! USER MOD Single : A 64 THR OG1 : rot 87:sc= -3.51! USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 74 GLN :FLIP amide:sc= -8.44! C(o=-9.9!,f=-8.4!) 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+ -153:sc= 0.609 (180deg=0.0941) USER MOD Single : A 113 SER OG : rot 96:sc= 0.0376 USER MOD Single : A 114 HIS :FLIP no HD1:sc= -3.02! C(o=-4.8!,f=-3!) USER MOD Single : A 116 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-2.8!) 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 :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -167:sc= -3.3 (180deg=-4.6!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 GLN :FLIP amide:sc=-0.00641 F(o=-1.5!,f=-0.0064) USER MOD Single : A 144 HIS : no HE2:sc= -16.3! C(o=-16!,f=-23!) USER MOD Single : A 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 CYS SG : rot 42:sc= 0.276 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ARG A 9 12.112 -3.835 -7.203 1.00 0.00 N ATOM 106 CA ARG A 9 11.275 -2.706 -7.678 1.00 0.00 C ATOM 107 C ARG A 9 10.265 -3.254 -8.681 1.00 0.00 C ATOM 108 O ARG A 9 10.620 -3.826 -9.690 1.00 0.00 O ATOM 109 CB ARG A 9 12.154 -1.627 -8.326 1.00 0.00 C ATOM 110 CG ARG A 9 12.057 -1.695 -9.853 1.00 0.00 C ATOM 111 CD ARG A 9 12.895 -0.571 -10.469 1.00 0.00 C ATOM 112 NE ARG A 9 14.342 -0.923 -10.387 1.00 0.00 N ATOM 113 CZ ARG A 9 15.217 -0.246 -11.077 1.00 0.00 C ATOM 114 NH1 ARG A 9 14.826 0.742 -11.834 1.00 0.00 N ATOM 115 NH2 ARG A 9 16.483 -0.554 -11.009 1.00 0.00 N ATOM 0 HA ARG A 9 10.751 -2.245 -6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.843 -0.641 -7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.190 -1.761 -8.016 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.411 -2.663 -10.208 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.017 -1.601 -10.166 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.606 -0.416 -11.509 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.708 0.366 -9.944 1.00 0.00 H new ATOM 0 HE ARG A 9 14.647 -1.693 -9.791 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.837 0.984 -11.886 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.510 1.272 -12.374 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.789 -1.325 -10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.167 -0.024 -11.549 1.00 0.00 H new ATOM 129 N ALA A 10 9.007 -3.092 -8.402 1.00 0.00 N ATOM 130 CA ALA A 10 7.970 -3.609 -9.328 1.00 0.00 C ATOM 131 C ALA A 10 7.268 -2.426 -9.985 1.00 0.00 C ATOM 132 O ALA A 10 7.514 -1.285 -9.650 1.00 0.00 O ATOM 133 CB ALA A 10 6.955 -4.436 -8.540 1.00 0.00 C ATOM 0 H ALA A 10 8.651 -2.622 -7.570 1.00 0.00 H new ATOM 0 HA ALA A 10 8.428 -4.237 -10.092 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.191 -4.817 -9.218 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.462 -5.272 -8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.486 -3.810 -7.781 1.00 0.00 H new ATOM 139 N CYS A 11 6.411 -2.680 -10.926 1.00 0.00 N ATOM 140 CA CYS A 11 5.712 -1.558 -11.598 1.00 0.00 C ATOM 141 C CYS A 11 4.278 -1.968 -11.930 1.00 0.00 C ATOM 142 O CYS A 11 3.999 -3.119 -12.201 1.00 0.00 O ATOM 143 CB CYS A 11 6.471 -1.192 -12.867 1.00 0.00 C ATOM 144 SG CYS A 11 8.112 -1.957 -12.822 1.00 0.00 S ATOM 0 H CYS A 11 6.164 -3.612 -11.258 1.00 0.00 H new ATOM 0 HA CYS A 11 5.678 -0.691 -10.938 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.922 -1.533 -13.745 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.564 -0.109 -12.950 1.00 0.00 H new ATOM 0 HG CYS A 11 8.780 -1.491 -11.809 1.00 0.00 H new ATOM 150 N GLY A 12 3.362 -1.038 -11.901 1.00 0.00 N ATOM 151 CA GLY A 12 1.943 -1.386 -12.207 1.00 0.00 C ATOM 152 C GLY A 12 1.277 -0.252 -12.986 1.00 0.00 C ATOM 153 O GLY A 12 1.863 0.788 -13.216 1.00 0.00 O ATOM 0 H GLY A 12 3.533 -0.057 -11.680 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.904 -2.308 -12.788 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.398 -1.570 -11.281 1.00 0.00 H new ATOM 157 N LEU A 13 0.051 -0.450 -13.391 1.00 0.00 N ATOM 158 CA LEU A 13 -0.665 0.610 -14.153 1.00 0.00 C ATOM 159 C LEU A 13 -1.939 1.019 -13.430 1.00 0.00 C ATOM 160 O LEU A 13 -2.780 0.196 -13.130 1.00 0.00 O ATOM 161 CB LEU A 13 -1.098 0.079 -15.521 1.00 0.00 C ATOM 162 CG LEU A 13 0.100 -0.150 -16.431 1.00 0.00 C ATOM 163 CD1 LEU A 13 -0.413 -0.600 -17.797 1.00 0.00 C ATOM 164 CD2 LEU A 13 0.867 1.155 -16.600 1.00 0.00 C ATOM 0 H LEU A 13 -0.485 -1.302 -13.226 1.00 0.00 H new ATOM 0 HA LEU A 13 0.018 1.454 -14.252 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.645 -0.855 -15.394 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.782 0.787 -15.988 1.00 0.00 H new ATOM 0 HG LEU A 13 0.757 -0.905 -15.999 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.431 -0.770 -18.465 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.980 -1.525 -17.686 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.058 0.173 -18.216 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.725 0.991 -17.252 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.213 1.906 -17.043 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.212 1.503 -15.626 1.00 0.00 H new ATOM 176 N ILE A 14 -2.140 2.287 -13.221 1.00 0.00 N ATOM 177 CA ILE A 14 -3.420 2.702 -12.610 1.00 0.00 C ATOM 178 C ILE A 14 -4.453 2.534 -13.713 1.00 0.00 C ATOM 179 O ILE A 14 -4.700 3.439 -14.484 1.00 0.00 O ATOM 180 CB ILE A 14 -3.355 4.175 -12.190 1.00 0.00 C ATOM 181 CG1 ILE A 14 -2.392 4.339 -11.015 1.00 0.00 C ATOM 182 CG2 ILE A 14 -4.746 4.670 -11.796 1.00 0.00 C ATOM 183 CD1 ILE A 14 -2.828 3.445 -9.854 1.00 0.00 C ATOM 0 H ILE A 14 -1.486 3.038 -13.443 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.656 2.117 -11.721 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.995 4.767 -13.031 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.380 4.079 -11.325 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.370 5.381 -10.695 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.689 5.717 -11.499 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.422 4.570 -12.645 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.121 4.077 -10.962 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.136 3.568 -9.021 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.832 3.725 -9.536 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.827 2.404 -10.176 1.00 0.00 H new ATOM 195 N ILE A 15 -5.032 1.375 -13.830 1.00 0.00 N ATOM 196 CA ILE A 15 -6.008 1.171 -14.926 1.00 0.00 C ATOM 197 C ILE A 15 -7.349 1.761 -14.545 1.00 0.00 C ATOM 198 O ILE A 15 -7.848 1.572 -13.453 1.00 0.00 O ATOM 199 CB ILE A 15 -6.180 -0.314 -15.237 1.00 0.00 C ATOM 200 CG1 ILE A 15 -4.864 -0.884 -15.779 1.00 0.00 C ATOM 201 CG2 ILE A 15 -7.284 -0.467 -16.285 1.00 0.00 C ATOM 202 CD1 ILE A 15 -5.089 -2.319 -16.270 1.00 0.00 C ATOM 0 H ILE A 15 -4.874 0.571 -13.222 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.625 1.673 -15.814 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.450 -0.857 -14.331 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.496 -0.263 -16.596 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.102 -0.871 -15.000 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.420 -1.523 -16.519 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.216 -0.059 -15.894 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.004 0.072 -17.190 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.153 -2.723 -16.655 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.437 -2.936 -15.442 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.837 -2.319 -17.063 1.00 0.00 H new ATOM 214 N PHE A 16 -7.939 2.473 -15.452 1.00 0.00 N ATOM 215 CA PHE A 16 -9.256 3.085 -15.180 1.00 0.00 C ATOM 216 C PHE A 16 -9.993 3.271 -16.502 1.00 0.00 C ATOM 217 O PHE A 16 -9.388 3.412 -17.547 1.00 0.00 O ATOM 218 CB PHE A 16 -9.059 4.449 -14.525 1.00 0.00 C ATOM 219 CG PHE A 16 -8.535 5.415 -15.553 1.00 0.00 C ATOM 220 CD1 PHE A 16 -9.423 6.036 -16.435 1.00 0.00 C ATOM 221 CD2 PHE A 16 -7.163 5.685 -15.632 1.00 0.00 C ATOM 222 CE1 PHE A 16 -8.946 6.929 -17.396 1.00 0.00 C ATOM 223 CE2 PHE A 16 -6.684 6.580 -16.593 1.00 0.00 C ATOM 224 CZ PHE A 16 -7.576 7.203 -17.477 1.00 0.00 C ATOM 0 H PHE A 16 -7.560 2.659 -16.381 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.831 2.441 -14.515 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -10.003 4.810 -14.116 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.360 4.369 -13.692 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.480 5.825 -16.373 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.477 5.203 -14.952 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.634 7.408 -18.077 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.627 6.792 -16.654 1.00 0.00 H new ATOM 0 HZ PHE A 16 -7.206 7.894 -18.220 1.00 0.00 H new ATOM 234 N ARG A 17 -11.290 3.287 -16.466 1.00 0.00 N ATOM 235 CA ARG A 17 -12.065 3.479 -17.720 1.00 0.00 C ATOM 236 C ARG A 17 -13.134 4.541 -17.470 1.00 0.00 C ATOM 237 O ARG A 17 -13.774 4.552 -16.435 1.00 0.00 O ATOM 238 CB ARG A 17 -12.734 2.160 -18.118 1.00 0.00 C ATOM 239 CG ARG A 17 -13.966 1.914 -17.244 1.00 0.00 C ATOM 240 CD ARG A 17 -14.550 0.534 -17.558 1.00 0.00 C ATOM 241 NE ARG A 17 -15.847 0.369 -16.843 1.00 0.00 N ATOM 242 CZ ARG A 17 -16.310 -0.826 -16.600 1.00 0.00 C ATOM 243 NH1 ARG A 17 -15.635 -1.877 -16.973 1.00 0.00 N ATOM 244 NH2 ARG A 17 -17.451 -0.971 -15.986 1.00 0.00 N ATOM 0 H ARG A 17 -11.851 3.175 -15.621 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.402 3.797 -18.525 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.023 2.192 -19.168 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.028 1.337 -18.007 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.695 1.974 -16.190 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.713 2.686 -17.425 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.699 0.426 -18.632 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.852 -0.246 -17.253 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.373 1.190 -16.544 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.743 -1.766 -17.456 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.998 -2.811 -16.782 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.982 -0.150 -15.696 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.813 -1.906 -15.796 1.00 0.00 H new ATOM 258 N ARG A 18 -13.338 5.438 -18.396 1.00 0.00 N ATOM 259 CA ARG A 18 -14.373 6.486 -18.180 1.00 0.00 C ATOM 260 C ARG A 18 -15.669 6.093 -18.887 1.00 0.00 C ATOM 261 O ARG A 18 -15.662 5.613 -20.003 1.00 0.00 O ATOM 262 CB ARG A 18 -13.867 7.837 -18.684 1.00 0.00 C ATOM 263 CG ARG A 18 -13.465 7.735 -20.154 1.00 0.00 C ATOM 264 CD ARG A 18 -12.590 8.937 -20.520 1.00 0.00 C ATOM 265 NE ARG A 18 -13.319 9.805 -21.486 1.00 0.00 N ATOM 266 CZ ARG A 18 -12.657 10.661 -22.213 1.00 0.00 C ATOM 267 NH1 ARG A 18 -11.360 10.751 -22.096 1.00 0.00 N ATOM 268 NH2 ARG A 18 -13.289 11.428 -23.060 1.00 0.00 N ATOM 0 H ARG A 18 -12.838 5.490 -19.284 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.576 6.574 -17.113 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.644 8.592 -18.563 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.013 8.159 -18.088 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.922 6.807 -20.331 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.353 7.710 -20.786 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.338 9.504 -19.624 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.651 8.597 -20.957 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.332 9.730 -21.578 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.865 10.152 -21.436 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.842 11.421 -22.665 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.302 11.358 -23.154 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.769 12.097 -23.628 1.00 0.00 H new ATOM 282 N CYS A 19 -16.784 6.282 -18.233 1.00 0.00 N ATOM 283 CA CYS A 19 -18.086 5.907 -18.846 1.00 0.00 C ATOM 284 C CYS A 19 -18.706 7.113 -19.543 1.00 0.00 C ATOM 285 O CYS A 19 -18.153 8.195 -19.564 1.00 0.00 O ATOM 286 CB CYS A 19 -19.046 5.412 -17.763 1.00 0.00 C ATOM 287 SG CYS A 19 -18.106 4.625 -16.432 1.00 0.00 S ATOM 0 H CYS A 19 -16.847 6.682 -17.297 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.911 5.116 -19.575 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -19.626 6.246 -17.368 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -19.756 4.703 -18.189 1.00 0.00 H new ATOM 0 HG CYS A 19 -17.106 5.385 -16.099 1.00 0.00 H new ATOM 424 N ALA A 28 -18.157 8.625 -14.006 1.00 0.00 N ATOM 425 CA ALA A 28 -17.797 8.180 -15.376 1.00 0.00 C ATOM 426 C ALA A 28 -16.465 7.439 -15.319 1.00 0.00 C ATOM 427 O ALA A 28 -16.238 6.497 -16.046 1.00 0.00 O ATOM 428 CB ALA A 28 -17.671 9.395 -16.297 1.00 0.00 C ATOM 0 HA ALA A 28 -18.572 7.519 -15.765 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.407 9.064 -17.301 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.621 9.928 -16.329 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.895 10.060 -15.918 1.00 0.00 H new ATOM 434 N ILE A 29 -15.582 7.858 -14.455 1.00 0.00 N ATOM 435 CA ILE A 29 -14.259 7.179 -14.353 1.00 0.00 C ATOM 436 C ILE A 29 -14.314 6.080 -13.295 1.00 0.00 C ATOM 437 O ILE A 29 -14.805 6.277 -12.201 1.00 0.00 O ATOM 438 CB ILE A 29 -13.189 8.200 -13.966 1.00 0.00 C ATOM 439 CG1 ILE A 29 -13.192 9.347 -14.987 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.820 7.512 -13.938 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.854 9.403 -15.735 1.00 0.00 C ATOM 0 H ILE A 29 -15.719 8.641 -13.815 1.00 0.00 H new ATOM 0 HA ILE A 29 -14.013 6.736 -15.318 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.400 8.607 -12.977 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.007 9.208 -15.697 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.371 10.294 -14.478 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.054 8.237 -13.662 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.834 6.703 -13.207 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.597 7.106 -14.924 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.873 10.221 -16.455 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.045 9.565 -15.022 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.691 8.462 -16.260 1.00 0.00 H new ATOM 453 N GLU A 30 -13.806 4.925 -13.620 1.00 0.00 N ATOM 454 CA GLU A 30 -13.815 3.801 -12.647 1.00 0.00 C ATOM 455 C GLU A 30 -12.413 3.193 -12.575 1.00 0.00 C ATOM 456 O GLU A 30 -11.628 3.327 -13.491 1.00 0.00 O ATOM 457 CB GLU A 30 -14.814 2.737 -13.108 1.00 0.00 C ATOM 458 CG GLU A 30 -16.203 3.365 -13.237 1.00 0.00 C ATOM 459 CD GLU A 30 -17.223 2.288 -13.613 1.00 0.00 C ATOM 460 OE1 GLU A 30 -18.405 2.582 -13.579 1.00 0.00 O ATOM 461 OE2 GLU A 30 -16.802 1.187 -13.929 1.00 0.00 O ATOM 0 H GLU A 30 -13.383 4.711 -14.523 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.107 4.166 -11.662 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.501 2.320 -14.065 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.840 1.914 -12.394 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.488 3.837 -12.297 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.190 4.148 -13.995 1.00 0.00 H new ATOM 469 N PHE A 31 -12.089 2.527 -11.499 1.00 0.00 N ATOM 470 CA PHE A 31 -10.736 1.917 -11.386 1.00 0.00 C ATOM 471 C PHE A 31 -10.841 0.398 -11.435 1.00 0.00 C ATOM 472 O PHE A 31 -11.774 -0.192 -10.929 1.00 0.00 O ATOM 473 CB PHE A 31 -10.085 2.306 -10.061 1.00 0.00 C ATOM 474 CG PHE A 31 -9.728 3.769 -10.065 1.00 0.00 C ATOM 475 CD1 PHE A 31 -8.821 4.268 -11.005 1.00 0.00 C ATOM 476 CD2 PHE A 31 -10.293 4.621 -9.116 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.480 5.626 -10.995 1.00 0.00 C ATOM 478 CE2 PHE A 31 -9.953 5.975 -9.102 1.00 0.00 C ATOM 479 CZ PHE A 31 -9.048 6.480 -10.041 1.00 0.00 C ATOM 0 H PHE A 31 -12.702 2.380 -10.697 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.132 2.281 -12.218 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.766 2.093 -9.237 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.189 1.706 -9.898 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.384 3.606 -11.738 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.994 4.233 -8.392 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.781 6.014 -11.721 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.389 6.633 -8.365 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.787 7.528 -10.031 1.00 0.00 H new ATOM 489 N LEU A 32 -9.875 -0.234 -12.031 1.00 0.00 N ATOM 490 CA LEU A 32 -9.884 -1.712 -12.110 1.00 0.00 C ATOM 491 C LEU A 32 -8.830 -2.271 -11.142 1.00 0.00 C ATOM 492 O LEU A 32 -7.641 -2.132 -11.353 1.00 0.00 O ATOM 493 CB LEU A 32 -9.591 -2.120 -13.563 1.00 0.00 C ATOM 494 CG LEU A 32 -8.997 -3.535 -13.632 1.00 0.00 C ATOM 495 CD1 LEU A 32 -10.066 -4.581 -13.326 1.00 0.00 C ATOM 496 CD2 LEU A 32 -8.459 -3.789 -15.037 1.00 0.00 C ATOM 0 H LEU A 32 -9.072 0.217 -12.471 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.854 -2.118 -11.822 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.510 -2.079 -14.148 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.897 -1.409 -14.011 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.197 -3.611 -12.896 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.626 -5.577 -13.380 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.463 -4.413 -12.325 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.873 -4.501 -14.055 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.037 -4.793 -15.089 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.270 -3.699 -15.759 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.685 -3.057 -15.268 1.00 0.00 H new ATOM 508 N LEU A 33 -9.264 -2.904 -10.081 1.00 0.00 N ATOM 509 CA LEU A 33 -8.305 -3.484 -9.089 1.00 0.00 C ATOM 510 C LEU A 33 -8.407 -5.005 -9.139 1.00 0.00 C ATOM 511 O LEU A 33 -9.380 -5.545 -9.621 1.00 0.00 O ATOM 512 CB LEU A 33 -8.661 -3.022 -7.670 1.00 0.00 C ATOM 513 CG LEU A 33 -8.320 -1.544 -7.487 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.034 -1.020 -6.241 1.00 0.00 C ATOM 515 CD2 LEU A 33 -6.812 -1.383 -7.294 1.00 0.00 C ATOM 0 H LEU A 33 -10.249 -3.045 -9.857 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.296 -3.153 -9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.723 -3.182 -7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.117 -3.620 -6.939 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.638 -0.987 -8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.797 0.035 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.111 -1.137 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.704 -1.584 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.572 -0.328 -7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.497 -1.938 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.290 -1.768 -8.170 1.00 0.00 H new ATOM 527 N LEU A 34 -7.415 -5.704 -8.653 1.00 0.00 N ATOM 528 CA LEU A 34 -7.482 -7.194 -8.688 1.00 0.00 C ATOM 529 C LEU A 34 -7.340 -7.778 -7.281 1.00 0.00 C ATOM 530 O LEU A 34 -6.484 -7.380 -6.514 1.00 0.00 O ATOM 531 CB LEU A 34 -6.356 -7.743 -9.566 1.00 0.00 C ATOM 532 CG LEU A 34 -6.433 -7.126 -10.963 1.00 0.00 C ATOM 533 CD1 LEU A 34 -5.460 -7.852 -11.892 1.00 0.00 C ATOM 534 CD2 LEU A 34 -7.851 -7.272 -11.513 1.00 0.00 C ATOM 0 H LEU A 34 -6.570 -5.312 -8.237 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.451 -7.480 -9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.390 -7.520 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.433 -8.828 -9.634 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.171 -6.069 -10.904 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.513 -7.414 -12.889 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.446 -7.753 -11.506 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.727 -8.908 -11.945 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.902 -6.831 -12.509 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.112 -8.329 -11.570 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.552 -6.760 -10.853 1.00 0.00 H new ATOM 546 N GLN A 35 -8.150 -8.751 -6.951 1.00 0.00 N ATOM 547 CA GLN A 35 -8.031 -9.389 -5.611 1.00 0.00 C ATOM 548 C GLN A 35 -7.290 -10.710 -5.792 1.00 0.00 C ATOM 549 O GLN A 35 -7.761 -11.607 -6.463 1.00 0.00 O ATOM 550 CB GLN A 35 -9.415 -9.666 -5.021 1.00 0.00 C ATOM 551 CG GLN A 35 -9.315 -9.774 -3.497 1.00 0.00 C ATOM 552 CD GLN A 35 -10.709 -10.007 -2.909 1.00 0.00 C ATOM 553 OE1 GLN A 35 -11.698 -9.908 -3.610 1.00 0.00 O ATOM 554 NE2 GLN A 35 -10.831 -10.310 -1.645 1.00 0.00 N ATOM 0 H GLN A 35 -8.884 -9.128 -7.550 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.496 -8.725 -4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.104 -8.867 -5.294 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.819 -10.590 -5.435 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.651 -10.594 -3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.883 -8.862 -3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.001 -10.393 -1.058 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.756 -10.464 -1.244 1.00 0.00 H new ATOM 563 N ALA A 36 -6.128 -10.837 -5.222 1.00 0.00 N ATOM 564 CA ALA A 36 -5.361 -12.101 -5.394 1.00 0.00 C ATOM 565 C ALA A 36 -5.995 -13.216 -4.561 1.00 0.00 C ATOM 566 O ALA A 36 -6.209 -13.076 -3.374 1.00 0.00 O ATOM 567 CB ALA A 36 -3.917 -11.875 -4.951 1.00 0.00 C ATOM 0 H ALA A 36 -5.677 -10.126 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.378 -12.397 -6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.350 -12.798 -5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.469 -11.089 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.900 -11.577 -3.903 1.00 0.00 H new ATOM 573 N SER A 37 -6.299 -14.326 -5.181 1.00 0.00 N ATOM 574 CA SER A 37 -6.921 -15.455 -4.431 1.00 0.00 C ATOM 575 C SER A 37 -5.831 -16.422 -3.960 1.00 0.00 C ATOM 576 O SER A 37 -6.069 -17.288 -3.142 1.00 0.00 O ATOM 577 CB SER A 37 -7.902 -16.197 -5.340 1.00 0.00 C ATOM 578 OG SER A 37 -8.342 -17.380 -4.687 1.00 0.00 O ATOM 0 H SER A 37 -6.143 -14.499 -6.174 1.00 0.00 H new ATOM 0 HA SER A 37 -7.455 -15.061 -3.566 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.754 -15.558 -5.574 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.422 -16.447 -6.286 1.00 0.00 H new ATOM 0 HG SER A 37 -7.775 -17.553 -3.907 1.00 0.00 H new ATOM 641 N HIS A 42 -6.166 -9.632 -1.163 1.00 0.00 N ATOM 642 CA HIS A 42 -6.012 -8.154 -1.055 1.00 0.00 C ATOM 643 C HIS A 42 -6.311 -7.520 -2.413 1.00 0.00 C ATOM 644 O HIS A 42 -6.124 -8.136 -3.441 1.00 0.00 O ATOM 645 CB HIS A 42 -4.574 -7.822 -0.655 1.00 0.00 C ATOM 646 CG HIS A 42 -3.636 -8.282 -1.742 1.00 0.00 C ATOM 647 ND1 HIS A 42 -3.505 -7.914 -3.058 1.00 0.00 N flip ATOM 648 CD2 HIS A 42 -2.673 -9.258 -1.525 1.00 0.00 C flip ATOM 649 CE1 HIS A 42 -2.482 -8.648 -3.647 1.00 0.00 C flip ATOM 650 NE2 HIS A 42 -2.013 -9.442 -2.683 1.00 0.00 N flip ATOM 0 HA HIS A 42 -6.701 -7.767 -0.304 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.467 -6.749 -0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.324 -8.310 0.287 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.487 -9.776 -0.596 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.139 -8.588 -4.669 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.249 -10.106 -2.808 1.00 0.00 H new ATOM 659 N TRP A 43 -6.764 -6.297 -2.434 1.00 0.00 N ATOM 660 CA TRP A 43 -7.062 -5.640 -3.738 1.00 0.00 C ATOM 661 C TRP A 43 -5.907 -4.721 -4.137 1.00 0.00 C ATOM 662 O TRP A 43 -5.407 -3.955 -3.341 1.00 0.00 O ATOM 663 CB TRP A 43 -8.330 -4.795 -3.615 1.00 0.00 C ATOM 664 CG TRP A 43 -9.546 -5.657 -3.687 1.00 0.00 C ATOM 665 CD1 TRP A 43 -10.294 -6.040 -2.628 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.181 -6.226 -4.863 1.00 0.00 C ATOM 667 NE1 TRP A 43 -11.347 -6.812 -3.080 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.318 -6.960 -4.451 1.00 0.00 C ATOM 669 CE3 TRP A 43 -9.879 -6.183 -6.235 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.131 -7.623 -5.370 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -10.691 -6.852 -7.162 1.00 0.00 C ATOM 672 CH2 TRP A 43 -11.814 -7.573 -6.729 1.00 0.00 C ATOM 0 H TRP A 43 -6.940 -5.726 -1.608 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.199 -6.415 -4.493 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.320 -4.250 -2.671 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.357 -4.052 -4.412 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.100 -5.784 -1.597 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -12.058 -7.222 -2.474 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.016 -5.631 -6.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.999 -8.171 -5.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.451 -6.812 -8.214 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -12.434 -8.090 -7.447 1.00 0.00 H new ATOM 683 N THR A 44 -5.496 -4.780 -5.374 1.00 0.00 N ATOM 684 CA THR A 44 -4.390 -3.899 -5.841 1.00 0.00 C ATOM 685 C THR A 44 -4.317 -3.961 -7.369 1.00 0.00 C ATOM 686 O THR A 44 -4.597 -4.984 -7.960 1.00 0.00 O ATOM 687 CB THR A 44 -3.063 -4.377 -5.245 1.00 0.00 C ATOM 688 OG1 THR A 44 -1.997 -3.630 -5.816 1.00 0.00 O ATOM 689 CG2 THR A 44 -2.866 -5.864 -5.547 1.00 0.00 C ATOM 0 H THR A 44 -5.881 -5.403 -6.084 1.00 0.00 H new ATOM 0 HA THR A 44 -4.576 -2.874 -5.521 1.00 0.00 H new ATOM 0 HB THR A 44 -3.076 -4.230 -4.165 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.146 -3.932 -5.436 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.920 -6.200 -5.121 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.684 -6.436 -5.109 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.853 -6.017 -6.626 1.00 0.00 H new ATOM 697 N PRO A 45 -3.934 -2.888 -8.014 1.00 0.00 N ATOM 698 CA PRO A 45 -3.821 -2.866 -9.495 1.00 0.00 C ATOM 699 C PRO A 45 -2.904 -3.977 -9.993 1.00 0.00 C ATOM 700 O PRO A 45 -2.116 -4.522 -9.245 1.00 0.00 O ATOM 701 CB PRO A 45 -3.213 -1.500 -9.817 1.00 0.00 C ATOM 702 CG PRO A 45 -3.455 -0.653 -8.616 1.00 0.00 C ATOM 703 CD PRO A 45 -3.573 -1.594 -7.416 1.00 0.00 C ATOM 0 HA PRO A 45 -4.787 -3.022 -9.976 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.147 -1.586 -10.026 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.677 -1.065 -10.702 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.637 0.053 -8.472 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.366 -0.066 -8.736 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.635 -1.657 -6.864 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.334 -1.252 -6.714 1.00 0.00 H new ATOM 711 N PRO A 46 -3.008 -4.315 -11.239 1.00 0.00 N ATOM 712 CA PRO A 46 -2.172 -5.383 -11.840 1.00 0.00 C ATOM 713 C PRO A 46 -0.702 -4.965 -11.943 1.00 0.00 C ATOM 714 O PRO A 46 -0.286 -4.346 -12.904 1.00 0.00 O ATOM 715 CB PRO A 46 -2.779 -5.596 -13.223 1.00 0.00 C ATOM 716 CG PRO A 46 -3.524 -4.337 -13.541 1.00 0.00 C ATOM 717 CD PRO A 46 -3.927 -3.711 -12.211 1.00 0.00 C ATOM 0 HA PRO A 46 -2.170 -6.290 -11.235 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.004 -5.789 -13.964 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.447 -6.457 -13.228 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.899 -3.653 -14.115 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.403 -4.552 -14.148 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.826 -2.626 -12.234 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.966 -3.929 -11.966 1.00 0.00 H new ATOM 725 N LYS A 47 0.084 -5.296 -10.954 1.00 0.00 N ATOM 726 CA LYS A 47 1.526 -4.918 -10.982 1.00 0.00 C ATOM 727 C LYS A 47 2.379 -6.132 -10.608 1.00 0.00 C ATOM 728 O LYS A 47 2.035 -6.898 -9.731 1.00 0.00 O ATOM 729 CB LYS A 47 1.766 -3.768 -9.995 1.00 0.00 C ATOM 730 CG LYS A 47 2.130 -4.308 -8.606 1.00 0.00 C ATOM 731 CD LYS A 47 3.643 -4.521 -8.513 1.00 0.00 C ATOM 732 CE LYS A 47 3.950 -5.531 -7.405 1.00 0.00 C ATOM 733 NZ LYS A 47 3.363 -6.855 -7.761 1.00 0.00 N ATOM 0 H LYS A 47 -0.211 -5.813 -10.126 1.00 0.00 H new ATOM 0 HA LYS A 47 1.806 -4.590 -11.983 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.568 -3.129 -10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.871 -3.149 -9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.804 -3.608 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.609 -5.248 -8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.029 -4.882 -9.466 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.142 -3.574 -8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.028 -5.623 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.540 -5.183 -6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.756 -7.186 -6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.796 -6.762 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.127 -7.542 -7.920 1.00 0.00 H new ATOM 747 N GLY A 48 3.492 -6.315 -11.265 1.00 0.00 N ATOM 748 CA GLY A 48 4.362 -7.483 -10.944 1.00 0.00 C ATOM 749 C GLY A 48 5.813 -7.016 -10.795 1.00 0.00 C ATOM 750 O GLY A 48 6.183 -5.951 -11.247 1.00 0.00 O ATOM 0 H GLY A 48 3.836 -5.708 -12.009 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.026 -7.958 -10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.289 -8.231 -11.733 1.00 0.00 H new ATOM 754 N HIS A 49 6.636 -7.810 -10.167 1.00 0.00 N ATOM 755 CA HIS A 49 8.063 -7.419 -9.983 1.00 0.00 C ATOM 756 C HIS A 49 8.737 -7.284 -11.345 1.00 0.00 C ATOM 757 O HIS A 49 8.213 -7.713 -12.354 1.00 0.00 O ATOM 758 CB HIS A 49 8.785 -8.484 -9.160 1.00 0.00 C ATOM 759 CG HIS A 49 10.271 -8.292 -9.285 1.00 0.00 C ATOM 760 ND1 HIS A 49 11.080 -7.203 -9.060 1.00 0.00 N flip ATOM 761 CD2 HIS A 49 11.116 -9.315 -9.695 1.00 0.00 C flip ATOM 762 CE1 HIS A 49 12.400 -7.547 -9.325 1.00 0.00 C flip ATOM 763 NE2 HIS A 49 12.370 -8.825 -9.702 1.00 0.00 N flip ATOM 0 H HIS A 49 6.381 -8.715 -9.772 1.00 0.00 H new ATOM 0 HA HIS A 49 8.110 -6.464 -9.460 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.485 -8.416 -8.114 1.00 0.00 H new ATOM 0 HB3 HIS A 49 8.506 -9.479 -9.507 1.00 0.00 H new ATOM 0 HD2 HIS A 49 10.821 -10.320 -9.960 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.269 -6.911 -9.243 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.195 -9.365 -9.963 1.00 0.00 H new ATOM 772 N VAL A 50 9.892 -6.680 -11.385 1.00 0.00 N ATOM 773 CA VAL A 50 10.588 -6.509 -12.686 1.00 0.00 C ATOM 774 C VAL A 50 11.504 -7.707 -12.952 1.00 0.00 C ATOM 775 O VAL A 50 12.308 -8.089 -12.127 1.00 0.00 O ATOM 776 CB VAL A 50 11.408 -5.212 -12.654 1.00 0.00 C ATOM 777 CG1 VAL A 50 12.879 -5.522 -12.363 1.00 0.00 C ATOM 778 CG2 VAL A 50 11.297 -4.504 -14.007 1.00 0.00 C ATOM 0 H VAL A 50 10.381 -6.299 -10.575 1.00 0.00 H new ATOM 0 HA VAL A 50 9.852 -6.451 -13.488 1.00 0.00 H new ATOM 0 HB VAL A 50 11.018 -4.567 -11.867 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.449 -4.593 -12.343 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.962 -6.020 -11.397 1.00 0.00 H new ATOM 0 HG13 VAL A 50 13.274 -6.174 -13.142 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.879 -3.583 -13.984 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.680 -5.156 -14.792 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.252 -4.268 -14.210 1.00 0.00 H new ATOM 841 N ASP A 55 11.795 -3.633 -18.194 1.00 0.00 N ATOM 842 CA ASP A 55 11.879 -2.185 -17.864 1.00 0.00 C ATOM 843 C ASP A 55 10.876 -1.877 -16.755 1.00 0.00 C ATOM 844 O ASP A 55 10.097 -2.721 -16.362 1.00 0.00 O ATOM 845 CB ASP A 55 11.545 -1.345 -19.095 1.00 0.00 C ATOM 846 CG ASP A 55 12.326 -0.031 -19.041 1.00 0.00 C ATOM 847 OD1 ASP A 55 12.376 0.647 -20.054 1.00 0.00 O ATOM 848 OD2 ASP A 55 12.859 0.276 -17.988 1.00 0.00 O ATOM 0 HA ASP A 55 12.891 -1.944 -17.537 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.797 -1.894 -20.002 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.474 -1.143 -19.132 1.00 0.00 H new ATOM 854 N ASP A 56 10.891 -0.683 -16.240 1.00 0.00 N ATOM 855 CA ASP A 56 9.936 -0.341 -15.153 1.00 0.00 C ATOM 856 C ASP A 56 8.508 -0.308 -15.707 1.00 0.00 C ATOM 857 O ASP A 56 7.670 -1.098 -15.321 1.00 0.00 O ATOM 858 CB ASP A 56 10.295 1.025 -14.570 1.00 0.00 C ATOM 859 CG ASP A 56 11.689 0.961 -13.945 1.00 0.00 C ATOM 860 OD1 ASP A 56 12.167 -0.138 -13.724 1.00 0.00 O ATOM 861 OD2 ASP A 56 12.257 2.014 -13.699 1.00 0.00 O ATOM 0 H ASP A 56 11.520 0.069 -16.523 1.00 0.00 H new ATOM 0 HA ASP A 56 9.996 -1.096 -14.369 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.270 1.784 -15.352 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.561 1.316 -13.819 1.00 0.00 H new ATOM 867 N LEU A 57 8.215 0.591 -16.611 1.00 0.00 N ATOM 868 CA LEU A 57 6.833 0.637 -17.171 1.00 0.00 C ATOM 869 C LEU A 57 6.549 -0.640 -17.950 1.00 0.00 C ATOM 870 O LEU A 57 5.478 -1.204 -17.858 1.00 0.00 O ATOM 871 CB LEU A 57 6.664 1.843 -18.098 1.00 0.00 C ATOM 872 CG LEU A 57 5.315 1.742 -18.830 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.166 2.039 -17.871 1.00 0.00 C ATOM 874 CD2 LEU A 57 5.281 2.748 -19.980 1.00 0.00 C ATOM 0 H LEU A 57 8.863 1.286 -16.981 1.00 0.00 H new ATOM 0 HA LEU A 57 6.130 0.728 -16.343 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.709 2.767 -17.522 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.480 1.877 -18.820 1.00 0.00 H new ATOM 0 HG LEU A 57 5.203 0.730 -19.218 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.218 1.963 -18.404 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.180 1.319 -17.052 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.278 3.047 -17.470 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.325 2.676 -20.498 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.405 3.756 -19.585 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.089 2.530 -20.678 1.00 0.00 H new ATOM 886 N GLU A 58 7.493 -1.111 -18.713 1.00 0.00 N ATOM 887 CA GLU A 58 7.246 -2.356 -19.482 1.00 0.00 C ATOM 888 C GLU A 58 6.828 -3.433 -18.487 1.00 0.00 C ATOM 889 O GLU A 58 5.982 -4.260 -18.765 1.00 0.00 O ATOM 890 CB GLU A 58 8.523 -2.774 -20.212 1.00 0.00 C ATOM 891 CG GLU A 58 8.905 -1.690 -21.225 1.00 0.00 C ATOM 892 CD GLU A 58 7.802 -1.557 -22.278 1.00 0.00 C ATOM 893 OE1 GLU A 58 7.774 -0.542 -22.954 1.00 0.00 O ATOM 894 OE2 GLU A 58 7.005 -2.474 -22.392 1.00 0.00 O ATOM 0 H GLU A 58 8.415 -0.692 -18.836 1.00 0.00 H new ATOM 0 HA GLU A 58 6.465 -2.205 -20.227 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.333 -2.921 -19.497 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.370 -3.726 -20.721 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.051 -0.738 -20.715 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.850 -1.944 -21.705 1.00 0.00 H new ATOM 902 N THR A 59 7.391 -3.399 -17.311 1.00 0.00 N ATOM 903 CA THR A 59 7.003 -4.388 -16.274 1.00 0.00 C ATOM 904 C THR A 59 5.560 -4.099 -15.868 1.00 0.00 C ATOM 905 O THR A 59 4.751 -4.993 -15.721 1.00 0.00 O ATOM 906 CB THR A 59 7.925 -4.244 -15.066 1.00 0.00 C ATOM 907 OG1 THR A 59 8.978 -5.188 -15.172 1.00 0.00 O ATOM 908 CG2 THR A 59 7.141 -4.489 -13.775 1.00 0.00 C ATOM 0 H THR A 59 8.104 -2.727 -17.026 1.00 0.00 H new ATOM 0 HA THR A 59 7.088 -5.405 -16.658 1.00 0.00 H new ATOM 0 HB THR A 59 8.335 -3.234 -15.041 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.604 -6.094 -15.194 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.808 -4.384 -12.919 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.333 -3.762 -13.697 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.724 -5.496 -13.788 1.00 0.00 H new ATOM 916 N ALA A 60 5.226 -2.848 -15.709 1.00 0.00 N ATOM 917 CA ALA A 60 3.830 -2.498 -15.343 1.00 0.00 C ATOM 918 C ALA A 60 2.929 -2.966 -16.478 1.00 0.00 C ATOM 919 O ALA A 60 1.889 -3.558 -16.266 1.00 0.00 O ATOM 920 CB ALA A 60 3.711 -0.984 -15.177 1.00 0.00 C ATOM 0 H ALA A 60 5.860 -2.056 -15.817 1.00 0.00 H new ATOM 0 HA ALA A 60 3.543 -2.974 -14.405 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.686 -0.727 -14.908 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.387 -0.650 -14.390 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.974 -0.493 -16.114 1.00 0.00 H new ATOM 926 N LEU A 61 3.347 -2.734 -17.691 1.00 0.00 N ATOM 927 CA LEU A 61 2.550 -3.193 -18.855 1.00 0.00 C ATOM 928 C LEU A 61 2.517 -4.721 -18.829 1.00 0.00 C ATOM 929 O LEU A 61 1.525 -5.342 -19.155 1.00 0.00 O ATOM 930 CB LEU A 61 3.209 -2.691 -20.146 1.00 0.00 C ATOM 931 CG LEU A 61 2.959 -1.184 -20.294 1.00 0.00 C ATOM 932 CD1 LEU A 61 3.928 -0.589 -21.314 1.00 0.00 C ATOM 933 CD2 LEU A 61 1.529 -0.948 -20.782 1.00 0.00 C ATOM 0 H LEU A 61 4.211 -2.244 -17.924 1.00 0.00 H new ATOM 0 HA LEU A 61 1.533 -2.803 -18.812 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.280 -2.892 -20.123 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.803 -3.224 -21.006 1.00 0.00 H new ATOM 0 HG LEU A 61 3.109 -0.707 -19.325 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.742 0.481 -21.412 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.953 -0.750 -20.979 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.781 -1.072 -22.280 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.352 0.122 -20.887 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.389 -1.435 -21.747 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.825 -1.363 -20.060 1.00 0.00 H new ATOM 945 N ARG A 62 3.600 -5.326 -18.421 1.00 0.00 N ATOM 946 CA ARG A 62 3.654 -6.811 -18.340 1.00 0.00 C ATOM 947 C ARG A 62 2.635 -7.306 -17.307 1.00 0.00 C ATOM 948 O ARG A 62 1.847 -8.192 -17.575 1.00 0.00 O ATOM 949 CB ARG A 62 5.062 -7.224 -17.905 1.00 0.00 C ATOM 950 CG ARG A 62 5.146 -8.743 -17.753 1.00 0.00 C ATOM 951 CD ARG A 62 6.499 -9.105 -17.135 1.00 0.00 C ATOM 952 NE ARG A 62 6.615 -10.584 -17.012 1.00 0.00 N ATOM 953 CZ ARG A 62 6.163 -11.188 -15.946 1.00 0.00 C ATOM 954 NH1 ARG A 62 5.584 -10.497 -15.002 1.00 0.00 N ATOM 955 NH2 ARG A 62 6.288 -12.482 -15.826 1.00 0.00 N ATOM 0 H ARG A 62 4.456 -4.849 -18.138 1.00 0.00 H new ATOM 0 HA ARG A 62 3.419 -7.246 -19.311 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.791 -6.884 -18.640 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.314 -6.743 -16.960 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.334 -9.104 -17.121 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.034 -9.226 -18.724 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.308 -8.717 -17.754 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.598 -8.640 -16.154 1.00 0.00 H new ATOM 0 HE ARG A 62 7.048 -11.126 -17.760 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.485 -9.486 -15.097 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.231 -10.968 -14.169 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.739 -13.022 -16.565 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.935 -12.953 -14.993 1.00 0.00 H new ATOM 969 N ALA A 63 2.642 -6.738 -16.129 1.00 0.00 N ATOM 970 CA ALA A 63 1.671 -7.177 -15.087 1.00 0.00 C ATOM 971 C ALA A 63 0.268 -6.730 -15.490 1.00 0.00 C ATOM 972 O ALA A 63 -0.689 -7.470 -15.381 1.00 0.00 O ATOM 973 CB ALA A 63 2.040 -6.556 -13.740 1.00 0.00 C ATOM 0 H ALA A 63 3.277 -5.992 -15.845 1.00 0.00 H new ATOM 0 HA ALA A 63 1.700 -8.263 -14.998 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.327 -6.880 -12.982 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.043 -6.875 -13.455 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.014 -5.469 -13.821 1.00 0.00 H new ATOM 979 N THR A 64 0.144 -5.526 -15.974 1.00 0.00 N ATOM 980 CA THR A 64 -1.188 -5.036 -16.407 1.00 0.00 C ATOM 981 C THR A 64 -1.760 -6.048 -17.392 1.00 0.00 C ATOM 982 O THR A 64 -2.899 -6.459 -17.297 1.00 0.00 O ATOM 983 CB THR A 64 -1.008 -3.679 -17.089 1.00 0.00 C ATOM 984 OG1 THR A 64 -0.389 -2.783 -16.180 1.00 0.00 O ATOM 985 CG2 THR A 64 -2.360 -3.111 -17.519 1.00 0.00 C ATOM 0 H THR A 64 0.910 -4.862 -16.087 1.00 0.00 H new ATOM 0 HA THR A 64 -1.865 -4.923 -15.560 1.00 0.00 H new ATOM 0 HB THR A 64 -0.386 -3.807 -17.975 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.585 -2.872 -16.245 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.212 -2.145 -18.002 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.837 -3.797 -18.218 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.997 -2.985 -16.643 1.00 0.00 H new ATOM 993 N GLN A 65 -0.958 -6.464 -18.325 1.00 0.00 N ATOM 994 CA GLN A 65 -1.412 -7.467 -19.320 1.00 0.00 C ATOM 995 C GLN A 65 -1.452 -8.860 -18.686 1.00 0.00 C ATOM 996 O GLN A 65 -2.321 -9.653 -18.967 1.00 0.00 O ATOM 997 CB GLN A 65 -0.435 -7.475 -20.497 1.00 0.00 C ATOM 998 CG GLN A 65 -0.979 -8.366 -21.611 1.00 0.00 C ATOM 999 CD GLN A 65 -0.030 -8.317 -22.811 1.00 0.00 C ATOM 1000 OE1 GLN A 65 0.922 -7.564 -22.815 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -0.252 -9.093 -23.837 1.00 0.00 N ATOM 0 H GLN A 65 0.005 -6.148 -18.442 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.413 -7.206 -19.663 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.289 -6.461 -20.868 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.540 -7.838 -20.171 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.080 -9.391 -21.255 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.974 -8.032 -21.906 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.052 -9.726 -23.834 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.374 -9.066 -24.642 1.00 0.00 H new ATOM 1010 N GLU A 66 -0.492 -9.177 -17.863 1.00 0.00 N ATOM 1011 CA GLU A 66 -0.453 -10.534 -17.246 1.00 0.00 C ATOM 1012 C GLU A 66 -1.387 -10.642 -16.034 1.00 0.00 C ATOM 1013 O GLU A 66 -2.174 -11.563 -15.932 1.00 0.00 O ATOM 1014 CB GLU A 66 0.983 -10.827 -16.803 1.00 0.00 C ATOM 1015 CG GLU A 66 1.870 -11.038 -18.034 1.00 0.00 C ATOM 1016 CD GLU A 66 1.405 -12.281 -18.793 1.00 0.00 C ATOM 1017 OE1 GLU A 66 0.679 -13.070 -18.211 1.00 0.00 O ATOM 1018 OE2 GLU A 66 1.783 -12.423 -19.945 1.00 0.00 O ATOM 0 H GLU A 66 0.269 -8.555 -17.590 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.791 -11.257 -17.988 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.365 -10.000 -16.205 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.005 -11.715 -16.171 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.822 -10.164 -18.683 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.910 -11.153 -17.730 1.00 0.00 H new ATOM 1026 N GLU A 67 -1.289 -9.739 -15.098 1.00 0.00 N ATOM 1027 CA GLU A 67 -2.150 -9.835 -13.878 1.00 0.00 C ATOM 1028 C GLU A 67 -3.626 -9.571 -14.203 1.00 0.00 C ATOM 1029 O GLU A 67 -4.503 -10.178 -13.620 1.00 0.00 O ATOM 1030 CB GLU A 67 -1.652 -8.846 -12.825 1.00 0.00 C ATOM 1031 CG GLU A 67 -0.257 -9.280 -12.375 1.00 0.00 C ATOM 1032 CD GLU A 67 0.212 -8.415 -11.207 1.00 0.00 C ATOM 1033 OE1 GLU A 67 1.278 -8.694 -10.687 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -0.503 -7.499 -10.847 1.00 0.00 O ATOM 0 H GLU A 67 -0.654 -8.941 -15.121 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.080 -10.851 -13.489 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.621 -7.837 -13.237 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.334 -8.822 -11.975 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.272 -10.329 -12.078 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.444 -9.194 -13.205 1.00 0.00 H new ATOM 1042 N ALA A 68 -3.923 -8.686 -15.116 1.00 0.00 N ATOM 1043 CA ALA A 68 -5.359 -8.421 -15.442 1.00 0.00 C ATOM 1044 C ALA A 68 -5.679 -8.944 -16.837 1.00 0.00 C ATOM 1045 O ALA A 68 -6.819 -9.205 -17.162 1.00 0.00 O ATOM 1046 CB ALA A 68 -5.637 -6.923 -15.406 1.00 0.00 C ATOM 0 H ALA A 68 -3.244 -8.139 -15.646 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.980 -8.928 -14.704 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.685 -6.742 -15.645 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.419 -6.536 -14.410 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.006 -6.418 -16.137 1.00 0.00 H new ATOM 1052 N GLY A 69 -4.693 -9.105 -17.669 1.00 0.00 N ATOM 1053 CA GLY A 69 -4.978 -9.616 -19.033 1.00 0.00 C ATOM 1054 C GLY A 69 -5.176 -8.450 -20.006 1.00 0.00 C ATOM 1055 O GLY A 69 -5.656 -8.637 -21.106 1.00 0.00 O ATOM 0 H GLY A 69 -3.713 -8.907 -17.467 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.156 -10.246 -19.372 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.871 -10.240 -19.016 1.00 0.00 H new ATOM 1059 N ILE A 70 -4.825 -7.247 -19.623 1.00 0.00 N ATOM 1060 CA ILE A 70 -5.025 -6.105 -20.557 1.00 0.00 C ATOM 1061 C ILE A 70 -3.690 -5.705 -21.183 1.00 0.00 C ATOM 1062 O ILE A 70 -2.768 -5.302 -20.502 1.00 0.00 O ATOM 1063 CB ILE A 70 -5.590 -4.908 -19.802 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -6.767 -5.352 -18.942 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -6.086 -3.878 -20.811 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -7.198 -4.194 -18.048 1.00 0.00 C ATOM 0 H ILE A 70 -4.416 -7.012 -18.719 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.722 -6.412 -21.337 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.813 -4.479 -19.169 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.597 -5.667 -19.575 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.485 -6.212 -18.334 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.493 -3.016 -20.281 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.257 -3.558 -21.442 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.864 -4.322 -21.432 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.040 -4.505 -17.430 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.367 -3.900 -17.407 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.496 -3.348 -18.667 1.00 0.00 H new ATOM 1078 N GLU A 71 -3.581 -5.797 -22.479 1.00 0.00 N ATOM 1079 CA GLU A 71 -2.308 -5.414 -23.144 1.00 0.00 C ATOM 1080 C GLU A 71 -2.301 -3.912 -23.401 1.00 0.00 C ATOM 1081 O GLU A 71 -3.326 -3.264 -23.400 1.00 0.00 O ATOM 1082 CB GLU A 71 -2.177 -6.154 -24.474 1.00 0.00 C ATOM 1083 CG GLU A 71 -3.277 -5.686 -25.429 1.00 0.00 C ATOM 1084 CD GLU A 71 -3.228 -6.513 -26.715 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -4.059 -6.280 -27.577 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -2.363 -7.367 -26.815 1.00 0.00 O ATOM 0 H GLU A 71 -4.319 -6.121 -23.105 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.472 -5.680 -22.498 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.197 -5.966 -24.912 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.254 -7.229 -24.313 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.253 -5.791 -24.955 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.146 -4.629 -25.660 1.00 0.00 H new ATOM 1094 N ALA A 72 -1.147 -3.355 -23.622 1.00 0.00 N ATOM 1095 CA ALA A 72 -1.071 -1.894 -23.882 1.00 0.00 C ATOM 1096 C ALA A 72 -1.813 -1.574 -25.178 1.00 0.00 C ATOM 1097 O ALA A 72 -2.261 -0.465 -25.395 1.00 0.00 O ATOM 1098 CB ALA A 72 0.390 -1.468 -24.009 1.00 0.00 C ATOM 0 H ALA A 72 -0.254 -3.847 -23.634 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.530 -1.353 -23.054 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.441 -0.396 -24.200 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.918 -1.698 -23.083 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.855 -2.006 -24.835 1.00 0.00 H new ATOM 1104 N GLY A 73 -1.945 -2.542 -26.043 1.00 0.00 N ATOM 1105 CA GLY A 73 -2.656 -2.302 -27.328 1.00 0.00 C ATOM 1106 C GLY A 73 -4.025 -1.683 -27.051 1.00 0.00 C ATOM 1107 O GLY A 73 -4.510 -0.868 -27.808 1.00 0.00 O ATOM 0 H GLY A 73 -1.590 -3.490 -25.914 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.068 -1.639 -27.962 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.773 -3.240 -27.871 1.00 0.00 H new ATOM 1111 N GLN A 74 -4.659 -2.061 -25.972 1.00 0.00 N ATOM 1112 CA GLN A 74 -5.997 -1.482 -25.667 1.00 0.00 C ATOM 1113 C GLN A 74 -5.867 -0.410 -24.582 1.00 0.00 C ATOM 1114 O GLN A 74 -6.840 0.192 -24.176 1.00 0.00 O ATOM 1115 CB GLN A 74 -6.956 -2.587 -25.213 1.00 0.00 C ATOM 1116 CG GLN A 74 -6.312 -3.424 -24.110 1.00 0.00 C ATOM 1117 CD GLN A 74 -7.144 -4.686 -23.885 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -6.574 -5.749 -23.392 1.00 0.00 O flip ATOM 1119 NE2 GLN A 74 -8.327 -4.704 -24.162 1.00 0.00 N flip ATOM 0 H GLN A 74 -4.311 -2.740 -25.295 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.399 -1.020 -26.569 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.884 -2.146 -24.850 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.215 -3.224 -26.059 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.293 -3.691 -24.388 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.250 -2.846 -23.188 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.773 -3.872 -24.548 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.874 -5.551 -24.009 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.670 -0.151 -24.119 1.00 0.00 N ATOM 1129 CA LEU A 75 -4.490 0.900 -23.075 1.00 0.00 C ATOM 1130 C LEU A 75 -3.663 2.054 -23.623 1.00 0.00 C ATOM 1131 O LEU A 75 -2.704 1.863 -24.345 1.00 0.00 O ATOM 1132 CB LEU A 75 -3.724 0.350 -21.874 1.00 0.00 C ATOM 1133 CG LEU A 75 -4.464 -0.826 -21.256 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -3.487 -1.604 -20.376 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -5.614 -0.300 -20.397 1.00 0.00 C ATOM 0 H LEU A 75 -3.815 -0.620 -24.418 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.486 1.230 -22.781 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.728 0.036 -22.185 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.593 1.135 -21.129 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.863 -1.475 -22.036 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.001 -2.452 -19.924 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.657 -1.964 -20.984 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.105 -0.951 -19.591 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.148 -1.139 -19.951 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.216 0.338 -19.608 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.298 0.277 -21.019 1.00 0.00 H new ATOM 1147 N THR A 76 -3.990 3.244 -23.225 1.00 0.00 N ATOM 1148 CA THR A 76 -3.196 4.422 -23.644 1.00 0.00 C ATOM 1149 C THR A 76 -2.622 5.011 -22.358 1.00 0.00 C ATOM 1150 O THR A 76 -3.351 5.342 -21.444 1.00 0.00 O ATOM 1151 CB THR A 76 -4.090 5.438 -24.367 1.00 0.00 C ATOM 1152 OG1 THR A 76 -3.393 5.954 -25.491 1.00 0.00 O ATOM 1153 CG2 THR A 76 -4.460 6.588 -23.428 1.00 0.00 C ATOM 0 H THR A 76 -4.784 3.453 -22.620 1.00 0.00 H new ATOM 0 HA THR A 76 -2.403 4.152 -24.342 1.00 0.00 H new ATOM 0 HB THR A 76 -5.004 4.940 -24.689 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.960 6.603 -25.958 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.094 7.300 -23.957 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.997 6.195 -22.565 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.553 7.090 -23.093 1.00 0.00 H new ATOM 1161 N ILE A 77 -1.331 5.104 -22.242 1.00 0.00 N ATOM 1162 CA ILE A 77 -0.769 5.629 -20.970 1.00 0.00 C ATOM 1163 C ILE A 77 -0.888 7.142 -20.916 1.00 0.00 C ATOM 1164 O ILE A 77 -0.174 7.860 -21.589 1.00 0.00 O ATOM 1165 CB ILE A 77 0.701 5.246 -20.837 1.00 0.00 C ATOM 1166 CG1 ILE A 77 0.857 3.734 -21.024 1.00 0.00 C ATOM 1167 CG2 ILE A 77 1.192 5.647 -19.442 1.00 0.00 C ATOM 1168 CD1 ILE A 77 1.286 3.091 -19.703 1.00 0.00 C ATOM 0 H ILE A 77 -0.651 4.845 -22.957 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.337 5.190 -20.150 1.00 0.00 H new ATOM 0 HB ILE A 77 1.289 5.761 -21.597 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.085 3.301 -21.361 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.598 3.528 -21.797 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.243 5.378 -19.335 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.078 6.723 -19.312 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.605 5.126 -18.686 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.396 2.015 -19.841 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.238 3.515 -19.384 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.530 3.284 -18.942 1.00 0.00 H new ATOM 1180 N ILE A 78 -1.753 7.632 -20.083 1.00 0.00 N ATOM 1181 CA ILE A 78 -1.882 9.101 -19.938 1.00 0.00 C ATOM 1182 C ILE A 78 -0.555 9.616 -19.426 1.00 0.00 C ATOM 1183 O ILE A 78 -0.184 10.754 -19.632 1.00 0.00 O ATOM 1184 CB ILE A 78 -2.950 9.434 -18.905 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -4.334 9.257 -19.522 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -2.758 10.878 -18.433 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -4.542 7.780 -19.855 1.00 0.00 C ATOM 0 H ILE A 78 -2.377 7.079 -19.496 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.155 9.550 -20.893 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.861 8.763 -18.051 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.102 9.599 -18.829 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.425 9.863 -20.423 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.520 11.123 -17.693 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.770 10.986 -17.986 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.848 11.554 -19.284 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.529 7.642 -20.297 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.779 7.456 -20.563 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.467 7.187 -18.943 1.00 0.00 H new ATOM 1199 N GLU A 79 0.139 8.774 -18.722 1.00 0.00 N ATOM 1200 CA GLU A 79 1.437 9.178 -18.137 1.00 0.00 C ATOM 1201 C GLU A 79 1.178 10.335 -17.193 1.00 0.00 C ATOM 1202 O GLU A 79 0.390 10.230 -16.274 1.00 0.00 O ATOM 1203 CB GLU A 79 2.410 9.609 -19.237 1.00 0.00 C ATOM 1204 CG GLU A 79 2.744 8.400 -20.104 1.00 0.00 C ATOM 1205 CD GLU A 79 3.816 8.777 -21.130 1.00 0.00 C ATOM 1206 OE1 GLU A 79 4.115 9.954 -21.242 1.00 0.00 O ATOM 1207 OE2 GLU A 79 4.318 7.880 -21.786 1.00 0.00 O ATOM 0 H GLU A 79 -0.142 7.813 -18.526 1.00 0.00 H new ATOM 0 HA GLU A 79 1.885 8.339 -17.604 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.966 10.397 -19.845 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.319 10.019 -18.797 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.098 7.580 -19.479 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.847 8.048 -20.614 1.00 0.00 H new ATOM 1215 N GLY A 80 1.817 11.440 -17.414 1.00 0.00 N ATOM 1216 CA GLY A 80 1.590 12.606 -16.524 1.00 0.00 C ATOM 1217 C GLY A 80 1.907 12.210 -15.083 1.00 0.00 C ATOM 1218 O GLY A 80 2.760 12.791 -14.446 1.00 0.00 O ATOM 0 H GLY A 80 2.486 11.589 -18.170 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.220 13.441 -16.831 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.556 12.942 -16.602 1.00 0.00 H new ATOM 1222 N PHE A 81 1.232 11.217 -14.565 1.00 0.00 N ATOM 1223 CA PHE A 81 1.511 10.789 -13.170 1.00 0.00 C ATOM 1224 C PHE A 81 2.340 9.504 -13.190 1.00 0.00 C ATOM 1225 O PHE A 81 1.906 8.479 -13.676 1.00 0.00 O ATOM 1226 CB PHE A 81 0.197 10.521 -12.435 1.00 0.00 C ATOM 1227 CG PHE A 81 0.485 10.239 -10.981 1.00 0.00 C ATOM 1228 CD1 PHE A 81 0.802 8.938 -10.570 1.00 0.00 C ATOM 1229 CD2 PHE A 81 0.433 11.276 -10.042 1.00 0.00 C ATOM 1230 CE1 PHE A 81 1.069 8.675 -9.222 1.00 0.00 C ATOM 1231 CE2 PHE A 81 0.701 11.014 -8.693 1.00 0.00 C ATOM 1232 CZ PHE A 81 1.019 9.712 -8.283 1.00 0.00 C ATOM 0 H PHE A 81 0.505 10.689 -15.047 1.00 0.00 H new ATOM 0 HA PHE A 81 2.060 11.579 -12.658 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.465 11.382 -12.526 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.319 9.673 -12.886 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.840 8.138 -11.294 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.186 12.279 -10.358 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.314 7.672 -8.906 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.663 11.814 -7.969 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.225 9.509 -7.243 1.00 0.00 H new ATOM 1242 N LYS A 82 3.521 9.551 -12.649 1.00 0.00 N ATOM 1243 CA LYS A 82 4.379 8.336 -12.611 1.00 0.00 C ATOM 1244 C LYS A 82 5.297 8.433 -11.406 1.00 0.00 C ATOM 1245 O LYS A 82 6.189 9.250 -11.360 1.00 0.00 O ATOM 1246 CB LYS A 82 5.228 8.245 -13.882 1.00 0.00 C ATOM 1247 CG LYS A 82 6.243 7.092 -13.767 1.00 0.00 C ATOM 1248 CD LYS A 82 7.426 7.498 -12.874 1.00 0.00 C ATOM 1249 CE LYS A 82 8.684 6.736 -13.300 1.00 0.00 C ATOM 1250 NZ LYS A 82 9.890 7.483 -12.843 1.00 0.00 N ATOM 0 H LYS A 82 3.933 10.384 -12.228 1.00 0.00 H new ATOM 0 HA LYS A 82 3.749 7.449 -12.544 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.584 8.086 -14.747 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.754 9.186 -14.044 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.754 6.210 -13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.606 6.820 -14.758 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.598 8.572 -12.948 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.196 7.284 -11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.679 5.734 -12.872 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.703 6.619 -14.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.747 6.968 -13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.895 8.430 -13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.871 7.572 -11.807 1.00 0.00 H new ATOM 1264 N ARG A 83 5.101 7.597 -10.436 1.00 0.00 N ATOM 1265 CA ARG A 83 5.982 7.638 -9.244 1.00 0.00 C ATOM 1266 C ARG A 83 6.106 6.232 -8.677 1.00 0.00 C ATOM 1267 O ARG A 83 5.429 5.319 -9.107 1.00 0.00 O ATOM 1268 CB ARG A 83 5.409 8.587 -8.189 1.00 0.00 C ATOM 1269 CG ARG A 83 5.525 10.036 -8.679 1.00 0.00 C ATOM 1270 CD ARG A 83 6.999 10.396 -8.893 1.00 0.00 C ATOM 1271 NE ARG A 83 7.298 11.697 -8.235 1.00 0.00 N ATOM 1272 CZ ARG A 83 7.331 11.774 -6.934 1.00 0.00 C ATOM 1273 NH1 ARG A 83 7.079 10.716 -6.213 1.00 0.00 N ATOM 1274 NH2 ARG A 83 7.608 12.909 -6.355 1.00 0.00 N ATOM 0 H ARG A 83 4.370 6.886 -10.415 1.00 0.00 H new ATOM 0 HA ARG A 83 6.967 8.006 -9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.365 8.341 -7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.946 8.467 -7.248 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.972 10.160 -9.610 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.078 10.713 -7.951 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.638 9.614 -8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.217 10.458 -9.959 1.00 0.00 H new ATOM 0 HE ARG A 83 7.477 12.527 -8.801 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.857 9.830 -6.667 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.104 10.775 -5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.799 13.737 -6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.634 12.969 -5.337 1.00 0.00 H new ATOM 1288 N GLU A 84 6.974 6.036 -7.731 1.00 0.00 N ATOM 1289 CA GLU A 84 7.137 4.674 -7.172 1.00 0.00 C ATOM 1290 C GLU A 84 6.159 4.447 -6.023 1.00 0.00 C ATOM 1291 O GLU A 84 6.310 4.985 -4.944 1.00 0.00 O ATOM 1292 CB GLU A 84 8.568 4.495 -6.664 1.00 0.00 C ATOM 1293 CG GLU A 84 9.544 4.666 -7.828 1.00 0.00 C ATOM 1294 CD GLU A 84 9.911 6.143 -7.979 1.00 0.00 C ATOM 1295 OE1 GLU A 84 9.393 6.943 -7.218 1.00 0.00 O ATOM 1296 OE2 GLU A 84 10.703 6.450 -8.854 1.00 0.00 O ATOM 0 H GLU A 84 7.573 6.754 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 84 6.932 3.948 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.783 5.226 -5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.686 3.508 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.442 4.074 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.094 4.297 -8.750 1.00 0.00 H new ATOM 1304 N LEU A 85 5.178 3.615 -6.238 1.00 0.00 N ATOM 1305 CA LEU A 85 4.208 3.300 -5.160 1.00 0.00 C ATOM 1306 C LEU A 85 4.896 2.264 -4.273 1.00 0.00 C ATOM 1307 O LEU A 85 5.357 1.252 -4.751 1.00 0.00 O ATOM 1308 CB LEU A 85 2.936 2.697 -5.782 1.00 0.00 C ATOM 1309 CG LEU A 85 1.734 2.902 -4.843 1.00 0.00 C ATOM 1310 CD1 LEU A 85 0.688 3.808 -5.494 1.00 0.00 C ATOM 1311 CD2 LEU A 85 1.066 1.564 -4.538 1.00 0.00 C ATOM 0 H LEU A 85 5.008 3.137 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 85 3.922 4.185 -4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.737 3.165 -6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.083 1.633 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 85 2.107 3.359 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.153 3.940 -4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.133 4.779 -5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.338 3.352 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.218 1.724 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.719 1.111 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.784 0.900 -4.057 1.00 0.00 H new ATOM 1323 N ASN A 86 5.025 2.513 -3.004 1.00 0.00 N ATOM 1324 CA ASN A 86 5.740 1.524 -2.148 1.00 0.00 C ATOM 1325 C ASN A 86 4.861 1.073 -0.983 1.00 0.00 C ATOM 1326 O ASN A 86 4.297 1.869 -0.261 1.00 0.00 O ATOM 1327 CB ASN A 86 7.023 2.163 -1.620 1.00 0.00 C ATOM 1328 CG ASN A 86 7.912 2.531 -2.809 1.00 0.00 C ATOM 1329 OD1 ASN A 86 7.507 2.241 -4.016 1.00 0.00 O flip ATOM 1330 ND2 ASN A 86 8.983 3.081 -2.640 1.00 0.00 N flip ATOM 0 H ASN A 86 4.674 3.343 -2.525 1.00 0.00 H new ATOM 0 HA ASN A 86 5.981 0.644 -2.745 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.789 3.052 -1.034 1.00 0.00 H new ATOM 0 HB3 ASN A 86 7.545 1.472 -0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 86 9.297 3.307 -1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.567 3.317 -3.442 1.00 0.00 H new ATOM 1480 N THR A 95 9.349 -1.617 -3.837 1.00 0.00 N ATOM 1481 CA THR A 95 9.003 -0.429 -4.660 1.00 0.00 C ATOM 1482 C THR A 95 8.064 -0.834 -5.793 1.00 0.00 C ATOM 1483 O THR A 95 8.217 -1.866 -6.415 1.00 0.00 O ATOM 1484 CB THR A 95 10.267 0.202 -5.248 1.00 0.00 C ATOM 1485 OG1 THR A 95 10.855 1.065 -4.286 1.00 0.00 O ATOM 1486 CG2 THR A 95 9.896 1.003 -6.501 1.00 0.00 C ATOM 0 HA THR A 95 8.507 0.300 -4.020 1.00 0.00 H new ATOM 0 HB THR A 95 10.979 -0.580 -5.514 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.666 1.469 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.794 1.454 -6.923 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.443 0.338 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.187 1.787 -6.235 1.00 0.00 H new ATOM 1494 N VAL A 96 7.096 -0.010 -6.056 1.00 0.00 N ATOM 1495 CA VAL A 96 6.124 -0.299 -7.139 1.00 0.00 C ATOM 1496 C VAL A 96 5.854 0.994 -7.912 1.00 0.00 C ATOM 1497 O VAL A 96 5.603 2.020 -7.324 1.00 0.00 O ATOM 1498 CB VAL A 96 4.826 -0.805 -6.514 1.00 0.00 C ATOM 1499 CG1 VAL A 96 3.746 -0.915 -7.586 1.00 0.00 C ATOM 1500 CG2 VAL A 96 5.066 -2.180 -5.880 1.00 0.00 C ATOM 0 H VAL A 96 6.934 0.866 -5.559 1.00 0.00 H new ATOM 0 HA VAL A 96 6.521 -1.055 -7.816 1.00 0.00 H new ATOM 0 HB VAL A 96 4.498 -0.104 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.822 -1.276 -7.135 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.574 0.065 -8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.070 -1.612 -8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.140 -2.542 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.398 -2.881 -6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.832 -2.096 -5.109 1.00 0.00 H new ATOM 1510 N ILE A 97 5.898 0.965 -9.214 1.00 0.00 N ATOM 1511 CA ILE A 97 5.635 2.219 -9.982 1.00 0.00 C ATOM 1512 C ILE A 97 4.252 2.131 -10.612 1.00 0.00 C ATOM 1513 O ILE A 97 3.916 1.164 -11.266 1.00 0.00 O ATOM 1514 CB ILE A 97 6.688 2.397 -11.071 1.00 0.00 C ATOM 1515 CG1 ILE A 97 8.036 1.909 -10.546 1.00 0.00 C ATOM 1516 CG2 ILE A 97 6.804 3.882 -11.430 1.00 0.00 C ATOM 1517 CD1 ILE A 97 9.153 2.647 -11.276 1.00 0.00 C ATOM 0 H ILE A 97 6.102 0.139 -9.777 1.00 0.00 H new ATOM 0 HA ILE A 97 5.681 3.075 -9.309 1.00 0.00 H new ATOM 0 HB ILE A 97 6.400 1.826 -11.954 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.108 2.085 -9.473 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.133 0.834 -10.700 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.556 4.011 -12.208 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.842 4.245 -11.792 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.096 4.448 -10.546 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.119 2.303 -10.906 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.082 2.448 -12.345 1.00 0.00 H new ATOM 0 HD13 ILE A 97 9.057 3.718 -11.099 1.00 0.00 H new ATOM 1529 N TYR A 98 3.440 3.128 -10.395 1.00 0.00 N ATOM 1530 CA TYR A 98 2.055 3.105 -10.939 1.00 0.00 C ATOM 1531 C TYR A 98 1.864 4.219 -11.977 1.00 0.00 C ATOM 1532 O TYR A 98 2.167 5.372 -11.743 1.00 0.00 O ATOM 1533 CB TYR A 98 1.089 3.291 -9.762 1.00 0.00 C ATOM 1534 CG TYR A 98 0.790 1.959 -9.090 1.00 0.00 C ATOM 1535 CD1 TYR A 98 1.488 0.788 -9.443 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.197 1.894 -8.103 1.00 0.00 C ATOM 1537 CE1 TYR A 98 1.193 -0.423 -8.813 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.483 0.680 -7.478 1.00 0.00 C ATOM 1539 CZ TYR A 98 0.208 -0.477 -7.830 1.00 0.00 C ATOM 1540 OH TYR A 98 -0.084 -1.672 -7.206 1.00 0.00 O ATOM 0 H TYR A 98 3.679 3.963 -9.860 1.00 0.00 H new ATOM 0 HA TYR A 98 1.861 2.157 -11.441 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.522 3.980 -9.037 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.161 3.741 -10.115 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.254 0.827 -10.203 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.739 2.785 -7.824 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.730 -1.319 -9.089 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.246 0.637 -6.715 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.391 -1.497 -6.292 1.00 0.00 H new ATOM 1550 N TRP A 99 1.360 3.856 -13.131 1.00 0.00 N ATOM 1551 CA TRP A 99 1.131 4.845 -14.226 1.00 0.00 C ATOM 1552 C TRP A 99 -0.365 4.977 -14.495 1.00 0.00 C ATOM 1553 O TRP A 99 -1.145 4.115 -14.149 1.00 0.00 O ATOM 1554 CB TRP A 99 1.782 4.341 -15.513 1.00 0.00 C ATOM 1555 CG TRP A 99 3.212 4.747 -15.569 1.00 0.00 C ATOM 1556 CD1 TRP A 99 3.658 5.947 -15.994 1.00 0.00 C ATOM 1557 CD2 TRP A 99 4.386 3.968 -15.215 1.00 0.00 C ATOM 1558 NE1 TRP A 99 5.036 5.960 -15.915 1.00 0.00 N ATOM 1559 CE2 TRP A 99 5.532 4.762 -15.440 1.00 0.00 C ATOM 1560 CE3 TRP A 99 4.566 2.666 -14.724 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 6.816 4.279 -15.185 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 5.855 2.176 -14.467 1.00 0.00 C ATOM 1563 CH2 TRP A 99 6.978 2.982 -14.698 1.00 0.00 C ATOM 0 H TRP A 99 1.094 2.899 -13.362 1.00 0.00 H new ATOM 0 HA TRP A 99 1.555 5.803 -13.924 1.00 0.00 H new ATOM 0 HB2 TRP A 99 1.704 3.255 -15.565 1.00 0.00 H new ATOM 0 HB3 TRP A 99 1.251 4.741 -16.377 1.00 0.00 H new ATOM 0 HD1 TRP A 99 3.039 6.762 -16.339 1.00 0.00 H new ATOM 0 HE1 TRP A 99 5.617 6.757 -16.176 1.00 0.00 H new ATOM 0 HE3 TRP A 99 3.707 2.037 -14.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.678 4.905 -15.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 5.983 1.172 -14.089 1.00 0.00 H new ATOM 0 HH2 TRP A 99 7.968 2.599 -14.499 1.00 0.00 H new ATOM 1574 N LEU A 100 -0.769 6.031 -15.147 1.00 0.00 N ATOM 1575 CA LEU A 100 -2.211 6.182 -15.475 1.00 0.00 C ATOM 1576 C LEU A 100 -2.479 5.506 -16.819 1.00 0.00 C ATOM 1577 O LEU A 100 -1.732 5.665 -17.764 1.00 0.00 O ATOM 1578 CB LEU A 100 -2.574 7.666 -15.561 1.00 0.00 C ATOM 1579 CG LEU A 100 -2.654 8.263 -14.156 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -2.895 9.771 -14.259 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -3.821 7.621 -13.400 1.00 0.00 C ATOM 0 H LEU A 100 -0.166 6.790 -15.465 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.818 5.719 -14.697 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.827 8.199 -16.150 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.529 7.787 -16.072 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.721 8.074 -13.626 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.953 10.199 -13.258 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.073 10.234 -14.805 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.831 9.955 -14.787 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.882 8.044 -12.397 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.751 7.816 -13.933 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.662 6.545 -13.331 1.00 0.00 H new ATOM 1593 N ALA A 101 -3.534 4.745 -16.908 1.00 0.00 N ATOM 1594 CA ALA A 101 -3.844 4.049 -18.188 1.00 0.00 C ATOM 1595 C ALA A 101 -5.355 4.050 -18.413 1.00 0.00 C ATOM 1596 O ALA A 101 -6.132 3.923 -17.489 1.00 0.00 O ATOM 1597 CB ALA A 101 -3.344 2.603 -18.114 1.00 0.00 C ATOM 0 H ALA A 101 -4.195 4.575 -16.150 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.351 4.565 -19.012 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.570 2.092 -19.050 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.267 2.599 -17.949 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.839 2.088 -17.291 1.00 0.00 H new ATOM 1603 N GLU A 102 -5.771 4.186 -19.641 1.00 0.00 N ATOM 1604 CA GLU A 102 -7.229 4.187 -19.942 1.00 0.00 C ATOM 1605 C GLU A 102 -7.531 3.067 -20.933 1.00 0.00 C ATOM 1606 O GLU A 102 -6.808 2.862 -21.886 1.00 0.00 O ATOM 1607 CB GLU A 102 -7.622 5.530 -20.562 1.00 0.00 C ATOM 1608 CG GLU A 102 -9.128 5.552 -20.832 1.00 0.00 C ATOM 1609 CD GLU A 102 -9.493 6.821 -21.603 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -8.620 7.654 -21.785 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -10.637 6.932 -22.009 1.00 0.00 O ATOM 0 H GLU A 102 -5.162 4.297 -20.452 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.795 4.033 -19.023 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.351 6.345 -19.890 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.074 5.687 -21.491 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.418 4.671 -21.404 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.677 5.516 -19.891 1.00 0.00 H new ATOM 1619 N VAL A 103 -8.595 2.346 -20.726 1.00 0.00 N ATOM 1620 CA VAL A 103 -8.930 1.250 -21.672 1.00 0.00 C ATOM 1621 C VAL A 103 -9.855 1.795 -22.758 1.00 0.00 C ATOM 1622 O VAL A 103 -10.959 2.223 -22.491 1.00 0.00 O ATOM 1623 CB VAL A 103 -9.634 0.106 -20.930 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -8.627 -0.666 -20.078 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -10.716 0.671 -20.014 1.00 0.00 C ATOM 0 H VAL A 103 -9.243 2.467 -19.948 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.012 0.868 -22.119 1.00 0.00 H new ATOM 0 HB VAL A 103 -10.081 -0.561 -21.667 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.137 -1.475 -19.556 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.850 -1.081 -20.720 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.175 0.007 -19.350 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.212 -0.146 -19.490 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.262 1.345 -19.288 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -11.448 1.218 -20.609 1.00 0.00 H new ATOM 1635 N LYS A 104 -9.418 1.769 -23.984 1.00 0.00 N ATOM 1636 CA LYS A 104 -10.286 2.267 -25.077 1.00 0.00 C ATOM 1637 C LYS A 104 -11.440 1.285 -25.234 1.00 0.00 C ATOM 1638 O LYS A 104 -12.404 1.532 -25.934 1.00 0.00 O ATOM 1639 CB LYS A 104 -9.474 2.372 -26.369 1.00 0.00 C ATOM 1640 CG LYS A 104 -8.851 1.015 -26.700 1.00 0.00 C ATOM 1641 CD LYS A 104 -7.807 1.196 -27.804 1.00 0.00 C ATOM 1642 CE LYS A 104 -6.639 2.028 -27.263 1.00 0.00 C ATOM 1643 NZ LYS A 104 -5.349 1.426 -27.705 1.00 0.00 N ATOM 0 H LYS A 104 -8.502 1.426 -24.273 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.676 3.259 -24.848 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.116 2.697 -27.188 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.693 3.124 -26.258 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.387 0.588 -25.811 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.623 0.316 -27.024 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.449 0.225 -28.145 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.254 1.692 -28.666 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.714 3.055 -27.621 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.680 2.066 -26.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.603 1.664 -27.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.450 0.392 -27.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.093 1.801 -28.641 1.00 0.00 H new ATOM 1657 N ASP A 105 -11.351 0.176 -24.550 1.00 0.00 N ATOM 1658 CA ASP A 105 -12.438 -0.836 -24.601 1.00 0.00 C ATOM 1659 C ASP A 105 -13.186 -0.811 -23.270 1.00 0.00 C ATOM 1660 O ASP A 105 -12.756 -1.388 -22.293 1.00 0.00 O ATOM 1661 CB ASP A 105 -11.838 -2.226 -24.817 1.00 0.00 C ATOM 1662 CG ASP A 105 -11.500 -2.419 -26.296 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -11.944 -1.612 -27.097 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -10.804 -3.372 -26.604 1.00 0.00 O ATOM 0 H ASP A 105 -10.562 -0.072 -23.953 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.118 -0.609 -25.422 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.940 -2.343 -24.211 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.543 -2.991 -24.493 1.00 0.00 H new ATOM 1670 N TYR A 106 -14.302 -0.143 -23.224 1.00 0.00 N ATOM 1671 CA TYR A 106 -15.075 -0.081 -21.954 1.00 0.00 C ATOM 1672 C TYR A 106 -15.399 -1.507 -21.510 1.00 0.00 C ATOM 1673 O TYR A 106 -15.545 -1.791 -20.338 1.00 0.00 O ATOM 1674 CB TYR A 106 -16.373 0.694 -22.189 1.00 0.00 C ATOM 1675 CG TYR A 106 -17.034 0.993 -20.866 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -16.660 2.132 -20.145 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -18.020 0.138 -20.359 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -17.268 2.419 -18.919 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -18.630 0.425 -19.131 1.00 0.00 C ATOM 1680 CZ TYR A 106 -18.254 1.566 -18.411 1.00 0.00 C ATOM 1681 OH TYR A 106 -18.854 1.849 -17.200 1.00 0.00 O ATOM 0 H TYR A 106 -14.713 0.362 -24.009 1.00 0.00 H new ATOM 0 HA TYR A 106 -14.493 0.423 -21.183 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -16.162 1.623 -22.719 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -17.046 0.113 -22.819 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -15.900 2.791 -20.536 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -18.310 -0.742 -20.914 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -16.977 3.299 -18.364 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -19.391 -0.234 -18.739 1.00 0.00 H new ATOM 0 HH TYR A 106 -18.400 2.609 -16.780 1.00 0.00 H new ATOM 1691 N ASP A 107 -15.515 -2.405 -22.450 1.00 0.00 N ATOM 1692 CA ASP A 107 -15.832 -3.819 -22.105 1.00 0.00 C ATOM 1693 C ASP A 107 -14.563 -4.669 -22.196 1.00 0.00 C ATOM 1694 O ASP A 107 -14.625 -5.870 -22.363 1.00 0.00 O ATOM 1695 CB ASP A 107 -16.872 -4.359 -23.088 1.00 0.00 C ATOM 1696 CG ASP A 107 -18.177 -3.580 -22.929 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -18.320 -2.897 -21.929 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -19.013 -3.678 -23.813 1.00 0.00 O ATOM 0 H ASP A 107 -15.403 -2.219 -23.447 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.226 -3.863 -21.090 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -16.504 -4.268 -24.110 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -17.045 -5.420 -22.905 1.00 0.00 H new ATOM 1704 N VAL A 108 -13.411 -4.060 -22.101 1.00 0.00 N ATOM 1705 CA VAL A 108 -12.148 -4.845 -22.200 1.00 0.00 C ATOM 1706 C VAL A 108 -12.285 -6.147 -21.420 1.00 0.00 C ATOM 1707 O VAL A 108 -12.995 -6.227 -20.437 1.00 0.00 O ATOM 1708 CB VAL A 108 -10.976 -4.037 -21.641 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -11.257 -3.643 -20.191 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -9.705 -4.886 -21.701 1.00 0.00 C ATOM 0 H VAL A 108 -13.291 -3.057 -21.960 1.00 0.00 H new ATOM 0 HA VAL A 108 -11.958 -5.068 -23.250 1.00 0.00 H new ATOM 0 HB VAL A 108 -10.845 -3.133 -22.236 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.417 -3.068 -19.801 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -12.163 -3.038 -20.147 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -11.392 -4.542 -19.589 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.866 -4.314 -21.304 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.842 -5.789 -21.107 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.499 -5.160 -22.736 1.00 0.00 H new ATOM 1720 N GLU A 109 -11.608 -7.168 -21.855 1.00 0.00 N ATOM 1721 CA GLU A 109 -11.688 -8.471 -21.152 1.00 0.00 C ATOM 1722 C GLU A 109 -10.534 -8.576 -20.159 1.00 0.00 C ATOM 1723 O GLU A 109 -9.392 -8.773 -20.525 1.00 0.00 O ATOM 1724 CB GLU A 109 -11.625 -9.606 -22.183 1.00 0.00 C ATOM 1725 CG GLU A 109 -10.963 -10.848 -21.576 1.00 0.00 C ATOM 1726 CD GLU A 109 -11.110 -12.021 -22.546 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -11.160 -11.774 -23.741 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -11.172 -13.147 -22.079 1.00 0.00 O ATOM 0 H GLU A 109 -10.999 -7.155 -22.673 1.00 0.00 H new ATOM 0 HA GLU A 109 -12.628 -8.549 -20.605 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.631 -9.852 -22.523 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.064 -9.279 -23.058 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.909 -10.653 -21.379 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.426 -11.091 -20.620 1.00 0.00 H new ATOM 1736 N ILE A 110 -10.831 -8.438 -18.903 1.00 0.00 N ATOM 1737 CA ILE A 110 -9.765 -8.526 -17.872 1.00 0.00 C ATOM 1738 C ILE A 110 -9.395 -9.991 -17.674 1.00 0.00 C ATOM 1739 O ILE A 110 -10.000 -10.691 -16.886 1.00 0.00 O ATOM 1740 CB ILE A 110 -10.276 -7.968 -16.547 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -10.930 -6.610 -16.780 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -9.102 -7.798 -15.582 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -9.988 -5.731 -17.574 1.00 0.00 C ATOM 0 H ILE A 110 -11.770 -8.267 -18.543 1.00 0.00 H new ATOM 0 HA ILE A 110 -8.898 -7.952 -18.198 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.007 -8.657 -16.124 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -11.870 -6.734 -17.317 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.168 -6.139 -15.826 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.465 -7.399 -14.635 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -8.628 -8.765 -15.411 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.375 -7.108 -16.011 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.452 -4.759 -17.743 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.059 -5.598 -17.019 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.773 -6.202 -18.533 1.00 0.00 H new ATOM 1755 N ARG A 111 -8.409 -10.465 -18.373 1.00 0.00 N ATOM 1756 CA ARG A 111 -8.022 -11.889 -18.199 1.00 0.00 C ATOM 1757 C ARG A 111 -7.014 -12.001 -17.067 1.00 0.00 C ATOM 1758 O ARG A 111 -5.947 -11.426 -17.106 1.00 0.00 O ATOM 1759 CB ARG A 111 -7.423 -12.434 -19.492 1.00 0.00 C ATOM 1760 CG ARG A 111 -8.546 -13.019 -20.339 1.00 0.00 C ATOM 1761 CD ARG A 111 -8.098 -13.108 -21.799 1.00 0.00 C ATOM 1762 NE ARG A 111 -7.013 -14.123 -21.922 1.00 0.00 N ATOM 1763 CZ ARG A 111 -5.763 -13.759 -21.831 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -5.456 -12.504 -21.650 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -4.817 -14.652 -21.927 1.00 0.00 N ATOM 0 H ARG A 111 -7.859 -9.937 -19.050 1.00 0.00 H new ATOM 0 HA ARG A 111 -8.907 -12.476 -17.954 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.913 -11.640 -20.037 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.678 -13.199 -19.271 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -8.815 -14.009 -19.970 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.437 -12.396 -20.259 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -8.941 -13.382 -22.434 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.743 -12.136 -22.142 1.00 0.00 H new ATOM 0 HE ARG A 111 -7.248 -15.103 -22.077 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -6.194 -11.804 -21.579 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -4.478 -12.223 -21.579 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -5.055 -15.633 -22.073 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.840 -14.369 -21.856 1.00 0.00 H new ATOM 1779 N LEU A 112 -7.355 -12.733 -16.051 1.00 0.00 N ATOM 1780 CA LEU A 112 -6.425 -12.871 -14.903 1.00 0.00 C ATOM 1781 C LEU A 112 -5.598 -14.145 -15.074 1.00 0.00 C ATOM 1782 O LEU A 112 -6.086 -15.243 -14.892 1.00 0.00 O ATOM 1783 CB LEU A 112 -7.230 -12.958 -13.606 1.00 0.00 C ATOM 1784 CG LEU A 112 -8.427 -12.006 -13.675 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -9.161 -12.014 -12.334 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -7.946 -10.585 -13.986 1.00 0.00 C ATOM 0 H LEU A 112 -8.235 -13.241 -15.965 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.762 -12.007 -14.863 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.575 -13.980 -13.449 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.597 -12.701 -12.756 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.103 -12.336 -14.464 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.014 -11.336 -12.382 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.511 -13.023 -12.117 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.482 -11.688 -11.546 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.803 -9.913 -14.034 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.266 -10.251 -13.202 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.426 -10.578 -14.944 1.00 0.00 H new ATOM 1798 N SER A 113 -4.349 -14.007 -15.417 1.00 0.00 N ATOM 1799 CA SER A 113 -3.491 -15.210 -15.592 1.00 0.00 C ATOM 1800 C SER A 113 -3.153 -15.783 -14.215 1.00 0.00 C ATOM 1801 O SER A 113 -3.393 -15.157 -13.201 1.00 0.00 O ATOM 1802 CB SER A 113 -2.204 -14.818 -16.317 1.00 0.00 C ATOM 1803 OG SER A 113 -2.533 -14.211 -17.560 1.00 0.00 O ATOM 0 H SER A 113 -3.885 -13.114 -15.584 1.00 0.00 H new ATOM 0 HA SER A 113 -4.019 -15.959 -16.182 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.623 -14.128 -15.704 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.583 -15.698 -16.482 1.00 0.00 H new ATOM 0 HG SER A 113 -2.545 -13.237 -17.455 1.00 0.00 H new ATOM 1809 N HIS A 114 -2.605 -16.967 -14.166 1.00 0.00 N ATOM 1810 CA HIS A 114 -2.260 -17.570 -12.846 1.00 0.00 C ATOM 1811 C HIS A 114 -1.712 -16.480 -11.918 1.00 0.00 C ATOM 1812 O HIS A 114 -0.537 -16.167 -11.933 1.00 0.00 O ATOM 1813 CB HIS A 114 -1.203 -18.664 -13.044 1.00 0.00 C ATOM 1814 CG HIS A 114 -0.082 -18.468 -12.062 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -0.071 -18.361 -10.693 1.00 0.00 N flip ATOM 1816 CD2 HIS A 114 1.240 -18.337 -12.463 1.00 0.00 C flip ATOM 1817 CE1 HIS A 114 1.233 -18.167 -10.253 1.00 0.00 C flip ATOM 1818 NE2 HIS A 114 1.985 -18.159 -11.355 1.00 0.00 N flip ATOM 0 H HIS A 114 -2.382 -17.541 -14.979 1.00 0.00 H new ATOM 0 HA HIS A 114 -3.152 -18.010 -12.399 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -1.653 -19.647 -12.906 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.817 -18.630 -14.063 1.00 0.00 H new ATOM 0 HD2 HIS A 114 1.605 -18.371 -13.479 1.00 0.00 H new ATOM 0 HE1 HIS A 114 1.567 -18.048 -9.233 1.00 0.00 H new ATOM 0 HE2 HIS A 114 2.997 -18.034 -11.358 1.00 0.00 H new ATOM 1827 N GLU A 115 -2.556 -15.893 -11.113 1.00 0.00 N ATOM 1828 CA GLU A 115 -2.083 -14.823 -10.189 1.00 0.00 C ATOM 1829 C GLU A 115 -3.282 -14.189 -9.483 1.00 0.00 C ATOM 1830 O GLU A 115 -3.420 -14.268 -8.278 1.00 0.00 O ATOM 1831 CB GLU A 115 -1.344 -13.748 -10.989 1.00 0.00 C ATOM 1832 CG GLU A 115 0.022 -13.493 -10.352 1.00 0.00 C ATOM 1833 CD GLU A 115 0.824 -12.526 -11.226 1.00 0.00 C ATOM 1834 OE1 GLU A 115 1.785 -11.965 -10.727 1.00 0.00 O ATOM 1835 OE2 GLU A 115 0.469 -12.371 -12.383 1.00 0.00 O ATOM 0 H GLU A 115 -3.551 -16.108 -11.055 1.00 0.00 H new ATOM 0 HA GLU A 115 -1.411 -15.257 -9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.221 -14.068 -12.024 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -1.927 -12.827 -11.007 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.104 -13.077 -9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.563 -14.432 -10.240 1.00 0.00 H new ATOM 1843 N HIS A 116 -4.147 -13.559 -10.227 1.00 0.00 N ATOM 1844 CA HIS A 116 -5.339 -12.911 -9.612 1.00 0.00 C ATOM 1845 C HIS A 116 -6.604 -13.655 -10.042 1.00 0.00 C ATOM 1846 O HIS A 116 -6.697 -14.157 -11.143 1.00 0.00 O ATOM 1847 CB HIS A 116 -5.435 -11.461 -10.086 1.00 0.00 C ATOM 1848 CG HIS A 116 -4.282 -10.669 -9.540 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -3.010 -10.742 -10.090 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -4.192 -9.776 -8.500 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -2.216 -9.914 -9.386 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -2.888 -9.303 -8.409 1.00 0.00 N ATOM 0 H HIS A 116 -4.079 -13.464 -11.240 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.242 -12.940 -8.527 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -5.430 -11.424 -11.175 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -6.377 -11.023 -9.757 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.007 -9.486 -7.854 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -1.166 -9.763 -9.587 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -2.522 -8.630 -7.736 1.00 0.00 H new ATOM 1861 N GLN A 117 -7.583 -13.719 -9.185 1.00 0.00 N ATOM 1862 CA GLN A 117 -8.846 -14.417 -9.550 1.00 0.00 C ATOM 1863 C GLN A 117 -10.026 -13.493 -9.246 1.00 0.00 C ATOM 1864 O GLN A 117 -11.119 -13.934 -8.957 1.00 0.00 O ATOM 1865 CB GLN A 117 -8.978 -15.708 -8.739 1.00 0.00 C ATOM 1866 CG GLN A 117 -10.028 -16.615 -9.387 1.00 0.00 C ATOM 1867 CD GLN A 117 -10.155 -17.906 -8.581 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -10.682 -17.905 -7.486 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -9.688 -19.017 -9.082 1.00 0.00 N ATOM 0 H GLN A 117 -7.563 -13.318 -8.247 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.836 -14.667 -10.611 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.017 -16.221 -8.694 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -9.265 -15.477 -7.713 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.990 -16.104 -9.428 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.743 -16.842 -10.414 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.246 -19.016 -10.001 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.765 -19.886 -8.554 1.00 0.00 H new ATOM 1878 N ALA A 118 -9.808 -12.208 -9.308 1.00 0.00 N ATOM 1879 CA ALA A 118 -10.911 -11.254 -9.023 1.00 0.00 C ATOM 1880 C ALA A 118 -10.565 -9.883 -9.600 1.00 0.00 C ATOM 1881 O ALA A 118 -9.496 -9.358 -9.373 1.00 0.00 O ATOM 1882 CB ALA A 118 -11.091 -11.125 -7.511 1.00 0.00 C ATOM 0 H ALA A 118 -8.913 -11.780 -9.544 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.831 -11.622 -9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -11.900 -10.426 -7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.335 -12.100 -7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -10.167 -10.757 -7.065 1.00 0.00 H new ATOM 1888 N TYR A 119 -11.468 -9.292 -10.328 1.00 0.00 N ATOM 1889 CA TYR A 119 -11.204 -7.943 -10.896 1.00 0.00 C ATOM 1890 C TYR A 119 -12.532 -7.197 -11.001 1.00 0.00 C ATOM 1891 O TYR A 119 -13.543 -7.767 -11.363 1.00 0.00 O ATOM 1892 CB TYR A 119 -10.550 -8.079 -12.273 1.00 0.00 C ATOM 1893 CG TYR A 119 -11.572 -8.485 -13.297 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -11.967 -9.820 -13.394 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -12.116 -7.528 -14.158 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -12.911 -10.201 -14.353 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -13.058 -7.903 -15.119 1.00 0.00 C ATOM 1898 CZ TYR A 119 -13.458 -9.243 -15.217 1.00 0.00 C ATOM 1899 OH TYR A 119 -14.391 -9.620 -16.161 1.00 0.00 O ATOM 0 H TYR A 119 -12.381 -9.686 -10.555 1.00 0.00 H new ATOM 0 HA TYR A 119 -10.523 -7.386 -10.252 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -10.093 -7.133 -12.561 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -9.751 -8.820 -12.232 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -11.544 -10.558 -12.729 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -11.807 -6.496 -14.080 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -13.218 -11.234 -14.428 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -13.477 -7.163 -15.785 1.00 0.00 H new ATOM 0 HH TYR A 119 -14.670 -8.835 -16.677 1.00 0.00 H new ATOM 1909 N ARG A 120 -12.556 -5.936 -10.670 1.00 0.00 N ATOM 1910 CA ARG A 120 -13.842 -5.187 -10.735 1.00 0.00 C ATOM 1911 C ARG A 120 -13.608 -3.764 -11.233 1.00 0.00 C ATOM 1912 O ARG A 120 -12.577 -3.170 -10.989 1.00 0.00 O ATOM 1913 CB ARG A 120 -14.444 -5.087 -9.332 1.00 0.00 C ATOM 1914 CG ARG A 120 -14.483 -6.459 -8.665 1.00 0.00 C ATOM 1915 CD ARG A 120 -14.927 -6.298 -7.206 1.00 0.00 C ATOM 1916 NE ARG A 120 -16.414 -6.276 -7.137 1.00 0.00 N ATOM 1917 CZ ARG A 120 -17.017 -5.629 -6.178 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -16.318 -4.984 -5.283 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -18.320 -5.623 -6.114 1.00 0.00 N ATOM 0 H ARG A 120 -11.749 -5.395 -10.360 1.00 0.00 H new ATOM 0 HA ARG A 120 -14.509 -5.717 -11.414 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.855 -4.399 -8.726 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.452 -4.677 -9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -15.172 -7.116 -9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -13.499 -6.926 -8.709 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.537 -7.118 -6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -14.520 -5.376 -6.791 1.00 0.00 H new ATOM 0 HE ARG A 120 -16.963 -6.768 -7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -15.299 -4.986 -5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -16.791 -4.479 -4.534 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -18.867 -6.124 -6.814 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -18.791 -5.117 -5.364 1.00 0.00 H new ATOM 1933 N TRP A 121 -14.586 -3.195 -11.879 1.00 0.00 N ATOM 1934 CA TRP A 121 -14.465 -1.787 -12.343 1.00 0.00 C ATOM 1935 C TRP A 121 -15.286 -0.926 -11.381 1.00 0.00 C ATOM 1936 O TRP A 121 -16.500 -0.964 -11.389 1.00 0.00 O ATOM 1937 CB TRP A 121 -15.022 -1.668 -13.763 1.00 0.00 C ATOM 1938 CG TRP A 121 -14.029 -2.213 -14.741 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -14.039 -3.467 -15.254 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -12.886 -1.539 -15.335 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -12.973 -3.602 -16.125 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -12.233 -2.440 -16.209 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -12.355 -0.246 -15.203 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -11.096 -2.067 -16.928 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -11.212 0.129 -15.924 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -10.585 -0.780 -16.784 1.00 0.00 C ATOM 0 H TRP A 121 -15.470 -3.649 -12.107 1.00 0.00 H new ATOM 0 HA TRP A 121 -13.424 -1.463 -12.356 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -15.962 -2.214 -13.842 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -15.239 -0.625 -13.993 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -14.761 -4.235 -15.021 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -12.760 -4.455 -16.642 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -12.830 0.464 -14.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -10.616 -2.772 -17.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -10.813 1.127 -15.815 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -9.705 -0.483 -17.336 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.638 -0.185 -10.519 1.00 0.00 N ATOM 1958 CA LEU A 122 -15.397 0.632 -9.525 1.00 0.00 C ATOM 1959 C LEU A 122 -14.958 2.095 -9.564 1.00 0.00 C ATOM 1960 O LEU A 122 -14.047 2.466 -10.274 1.00 0.00 O ATOM 1961 CB LEU A 122 -15.145 0.096 -8.116 1.00 0.00 C ATOM 1962 CG LEU A 122 -14.601 -1.334 -8.163 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -13.231 -1.370 -7.496 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -15.559 -2.274 -7.426 1.00 0.00 C ATOM 0 H LEU A 122 -13.622 -0.110 -10.460 1.00 0.00 H new ATOM 0 HA LEU A 122 -16.455 0.566 -9.779 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -14.436 0.742 -7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -16.072 0.118 -7.543 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.511 -1.658 -9.200 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.838 -2.386 -7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.551 -0.702 -8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.323 -1.047 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -15.169 -3.291 -7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -15.653 -1.957 -6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -16.538 -2.244 -7.904 1.00 0.00 H new ATOM 1976 N GLY A 123 -15.607 2.924 -8.788 1.00 0.00 N ATOM 1977 CA GLY A 123 -15.246 4.368 -8.754 1.00 0.00 C ATOM 1978 C GLY A 123 -14.123 4.605 -7.739 1.00 0.00 C ATOM 1979 O GLY A 123 -13.613 3.686 -7.129 1.00 0.00 O ATOM 0 H GLY A 123 -16.376 2.658 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -14.927 4.695 -9.744 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -16.119 4.963 -8.488 1.00 0.00 H new ATOM 1983 N LEU A 124 -13.732 5.839 -7.566 1.00 0.00 N ATOM 1984 CA LEU A 124 -12.637 6.166 -6.606 1.00 0.00 C ATOM 1985 C LEU A 124 -12.989 5.699 -5.191 1.00 0.00 C ATOM 1986 O LEU A 124 -12.191 5.077 -4.518 1.00 0.00 O ATOM 1987 CB LEU A 124 -12.433 7.683 -6.607 1.00 0.00 C ATOM 1988 CG LEU A 124 -11.517 8.101 -5.452 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -10.244 7.251 -5.445 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -11.133 9.572 -5.626 1.00 0.00 C ATOM 0 H LEU A 124 -14.128 6.643 -8.053 1.00 0.00 H new ATOM 0 HA LEU A 124 -11.726 5.653 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.998 7.997 -7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -13.396 8.186 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 124 -12.046 7.956 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.604 7.561 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -10.509 6.200 -5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.711 7.386 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -10.481 9.877 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -10.611 9.702 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -12.033 10.186 -5.621 1.00 0.00 H new ATOM 2002 N GLU A 125 -14.162 6.004 -4.724 1.00 0.00 N ATOM 2003 CA GLU A 125 -14.530 5.586 -3.343 1.00 0.00 C ATOM 2004 C GLU A 125 -14.462 4.061 -3.220 1.00 0.00 C ATOM 2005 O GLU A 125 -13.792 3.537 -2.353 1.00 0.00 O ATOM 2006 CB GLU A 125 -15.940 6.083 -3.018 1.00 0.00 C ATOM 2007 CG GLU A 125 -16.975 5.216 -3.734 1.00 0.00 C ATOM 2008 CD GLU A 125 -18.357 5.854 -3.593 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -19.277 5.374 -4.235 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -18.474 6.811 -2.846 1.00 0.00 O ATOM 0 H GLU A 125 -14.880 6.521 -5.232 1.00 0.00 H new ATOM 0 HA GLU A 125 -13.826 6.022 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -16.107 6.050 -1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.048 7.123 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.715 5.115 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.981 4.212 -3.310 1.00 0.00 H new ATOM 2018 N GLU A 126 -15.130 3.336 -4.076 1.00 0.00 N ATOM 2019 CA GLU A 126 -15.067 1.850 -3.976 1.00 0.00 C ATOM 2020 C GLU A 126 -13.626 1.400 -4.187 1.00 0.00 C ATOM 2021 O GLU A 126 -13.174 0.430 -3.618 1.00 0.00 O ATOM 2022 CB GLU A 126 -15.960 1.214 -5.035 1.00 0.00 C ATOM 2023 CG GLU A 126 -15.945 -0.299 -4.854 1.00 0.00 C ATOM 2024 CD GLU A 126 -17.197 -0.902 -5.496 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -17.464 -2.065 -5.249 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -17.869 -0.188 -6.223 1.00 0.00 O ATOM 0 H GLU A 126 -15.710 3.702 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 126 -15.414 1.539 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -16.978 1.594 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -15.607 1.477 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -15.050 -0.722 -5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -15.911 -0.549 -3.794 1.00 0.00 H new ATOM 2034 N ALA A 127 -12.894 2.099 -4.999 1.00 0.00 N ATOM 2035 CA ALA A 127 -11.482 1.712 -5.221 1.00 0.00 C ATOM 2036 C ALA A 127 -10.689 2.034 -3.955 1.00 0.00 C ATOM 2037 O ALA A 127 -9.688 1.414 -3.654 1.00 0.00 O ATOM 2038 CB ALA A 127 -10.915 2.503 -6.397 1.00 0.00 C ATOM 0 H ALA A 127 -13.211 2.919 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 127 -11.414 0.647 -5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.876 2.218 -6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.495 2.287 -7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.968 3.569 -6.178 1.00 0.00 H new ATOM 2044 N CYS A 128 -11.136 3.015 -3.218 1.00 0.00 N ATOM 2045 CA CYS A 128 -10.425 3.412 -1.971 1.00 0.00 C ATOM 2046 C CYS A 128 -10.568 2.323 -0.903 1.00 0.00 C ATOM 2047 O CYS A 128 -9.627 2.013 -0.198 1.00 0.00 O ATOM 2048 CB CYS A 128 -11.023 4.719 -1.448 1.00 0.00 C ATOM 2049 SG CYS A 128 -11.156 4.645 0.355 1.00 0.00 S ATOM 0 H CYS A 128 -11.970 3.562 -3.429 1.00 0.00 H new ATOM 0 HA CYS A 128 -9.366 3.547 -2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -10.397 5.561 -1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -12.006 4.883 -1.889 1.00 0.00 H new ATOM 0 HG CYS A 128 -12.254 4.032 0.684 1.00 0.00 H new ATOM 2055 N GLN A 129 -11.730 1.741 -0.765 1.00 0.00 N ATOM 2056 CA GLN A 129 -11.901 0.676 0.272 1.00 0.00 C ATOM 2057 C GLN A 129 -11.075 -0.546 -0.116 1.00 0.00 C ATOM 2058 O GLN A 129 -10.312 -1.073 0.669 1.00 0.00 O ATOM 2059 CB GLN A 129 -13.373 0.253 0.385 1.00 0.00 C ATOM 2060 CG GLN A 129 -14.157 0.705 -0.846 1.00 0.00 C ATOM 2061 CD GLN A 129 -14.782 2.072 -0.579 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -14.037 3.032 -0.103 1.00 0.00 O flip ATOM 2063 NE2 GLN A 129 -15.960 2.271 -0.801 1.00 0.00 N flip ATOM 0 H GLN A 129 -12.561 1.952 -1.318 1.00 0.00 H new ATOM 0 HA GLN A 129 -11.569 1.076 1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -13.439 -0.830 0.488 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -13.814 0.686 1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -13.496 0.758 -1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -14.934 -0.022 -1.082 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -16.543 1.521 -1.173 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -16.366 3.188 -0.615 1.00 0.00 H new ATOM 2072 N LEU A 130 -11.235 -1.009 -1.322 1.00 0.00 N ATOM 2073 CA LEU A 130 -10.477 -2.207 -1.766 1.00 0.00 C ATOM 2074 C LEU A 130 -8.975 -1.946 -1.642 1.00 0.00 C ATOM 2075 O LEU A 130 -8.237 -2.754 -1.113 1.00 0.00 O ATOM 2076 CB LEU A 130 -10.823 -2.487 -3.227 1.00 0.00 C ATOM 2077 CG LEU A 130 -12.339 -2.602 -3.393 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -12.664 -2.823 -4.862 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -12.877 -3.783 -2.587 1.00 0.00 C ATOM 0 H LEU A 130 -11.860 -0.608 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 130 -10.741 -3.063 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -10.439 -1.687 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -10.342 -3.409 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 130 -12.802 -1.683 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -13.744 -2.906 -4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -12.294 -1.981 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -12.187 -3.741 -5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -13.957 -3.850 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -12.412 -4.704 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -12.646 -3.638 -1.532 1.00 0.00 H new ATOM 2091 N ALA A 131 -8.513 -0.824 -2.122 1.00 0.00 N ATOM 2092 CA ALA A 131 -7.059 -0.522 -2.026 1.00 0.00 C ATOM 2093 C ALA A 131 -6.620 -0.623 -0.563 1.00 0.00 C ATOM 2094 O ALA A 131 -5.798 -1.442 -0.206 1.00 0.00 O ATOM 2095 CB ALA A 131 -6.806 0.892 -2.549 1.00 0.00 C ATOM 0 H ALA A 131 -9.078 -0.106 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.489 -1.234 -2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.742 1.120 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -7.126 0.958 -3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -7.369 1.608 -1.950 1.00 0.00 H new ATOM 2101 N GLN A 132 -7.182 0.188 0.289 1.00 0.00 N ATOM 2102 CA GLN A 132 -6.823 0.131 1.738 1.00 0.00 C ATOM 2103 C GLN A 132 -5.404 0.671 1.973 1.00 0.00 C ATOM 2104 O GLN A 132 -4.997 0.875 3.099 1.00 0.00 O ATOM 2105 CB GLN A 132 -6.914 -1.323 2.230 1.00 0.00 C ATOM 2106 CG GLN A 132 -5.529 -1.835 2.640 1.00 0.00 C ATOM 2107 CD GLN A 132 -5.620 -3.323 2.980 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -6.791 -3.897 3.026 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -4.616 -3.970 3.206 1.00 0.00 N flip ATOM 0 H GLN A 132 -7.878 0.892 0.045 1.00 0.00 H new ATOM 0 HA GLN A 132 -7.523 0.754 2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -7.597 -1.385 3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -7.324 -1.955 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -4.816 -1.678 1.830 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -5.162 -1.275 3.500 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -3.701 -3.521 3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -4.689 -4.962 3.432 1.00 0.00 H new ATOM 2118 N PHE A 133 -4.644 0.917 0.936 1.00 0.00 N ATOM 2119 CA PHE A 133 -3.262 1.446 1.153 1.00 0.00 C ATOM 2120 C PHE A 133 -3.269 2.962 0.946 1.00 0.00 C ATOM 2121 O PHE A 133 -3.889 3.469 0.034 1.00 0.00 O ATOM 2122 CB PHE A 133 -2.287 0.810 0.160 1.00 0.00 C ATOM 2123 CG PHE A 133 -2.506 -0.681 0.099 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -1.808 -1.529 0.966 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -3.400 -1.219 -0.835 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -2.005 -2.914 0.903 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -3.595 -2.603 -0.901 1.00 0.00 C ATOM 2128 CZ PHE A 133 -2.899 -3.451 -0.032 1.00 0.00 C ATOM 0 H PHE A 133 -4.914 0.777 -0.038 1.00 0.00 H new ATOM 0 HA PHE A 133 -2.944 1.204 2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -2.427 1.246 -0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -1.261 1.022 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -1.116 -1.115 1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -3.939 -0.565 -1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.468 -3.567 1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -4.283 -3.017 -1.623 1.00 0.00 H new ATOM 0 HZ PHE A 133 -3.051 -4.519 -0.082 1.00 0.00 H new ATOM 2138 N LYS A 134 -2.588 3.691 1.787 1.00 0.00 N ATOM 2139 CA LYS A 134 -2.568 5.171 1.634 1.00 0.00 C ATOM 2140 C LYS A 134 -2.034 5.539 0.252 1.00 0.00 C ATOM 2141 O LYS A 134 -2.585 6.379 -0.433 1.00 0.00 O ATOM 2142 CB LYS A 134 -1.660 5.781 2.703 1.00 0.00 C ATOM 2143 CG LYS A 134 -1.737 7.311 2.636 1.00 0.00 C ATOM 2144 CD LYS A 134 -3.064 7.783 3.233 1.00 0.00 C ATOM 2145 CE LYS A 134 -3.004 9.289 3.486 1.00 0.00 C ATOM 2146 NZ LYS A 134 -4.167 9.694 4.324 1.00 0.00 N ATOM 0 H LYS A 134 -2.047 3.326 2.571 1.00 0.00 H new ATOM 0 HA LYS A 134 -3.581 5.557 1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.963 5.435 3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -0.632 5.452 2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -0.903 7.752 3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -1.652 7.645 1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -3.884 7.550 2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -3.264 7.255 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -2.072 9.548 3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.017 9.829 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -4.129 10.719 4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -5.051 9.459 3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -4.134 9.187 5.232 1.00 0.00 H new ATOM 2160 N GLU A 135 -0.967 4.919 -0.170 1.00 0.00 N ATOM 2161 CA GLU A 135 -0.413 5.243 -1.511 1.00 0.00 C ATOM 2162 C GLU A 135 -1.442 4.870 -2.572 1.00 0.00 C ATOM 2163 O GLU A 135 -1.667 5.604 -3.509 1.00 0.00 O ATOM 2164 CB GLU A 135 0.868 4.448 -1.744 1.00 0.00 C ATOM 2165 CG GLU A 135 1.906 4.823 -0.685 1.00 0.00 C ATOM 2166 CD GLU A 135 3.204 4.065 -0.961 1.00 0.00 C ATOM 2167 OE1 GLU A 135 3.177 3.165 -1.784 1.00 0.00 O ATOM 2168 OE2 GLU A 135 4.204 4.396 -0.345 1.00 0.00 O ATOM 0 H GLU A 135 -0.458 4.206 0.353 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.188 6.308 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.658 3.379 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.260 4.654 -2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.088 5.898 -0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 135 1.533 4.579 0.310 1.00 0.00 H new ATOM 2176 N MET A 136 -2.078 3.739 -2.422 1.00 0.00 N ATOM 2177 CA MET A 136 -3.100 3.325 -3.422 1.00 0.00 C ATOM 2178 C MET A 136 -4.259 4.309 -3.410 1.00 0.00 C ATOM 2179 O MET A 136 -4.719 4.752 -4.444 1.00 0.00 O ATOM 2180 CB MET A 136 -3.626 1.934 -3.079 1.00 0.00 C ATOM 2181 CG MET A 136 -2.586 0.887 -3.474 1.00 0.00 C ATOM 2182 SD MET A 136 -2.149 1.111 -5.207 1.00 0.00 S ATOM 2183 CE MET A 136 -3.822 1.253 -5.874 1.00 0.00 C ATOM 0 H MET A 136 -1.933 3.086 -1.652 1.00 0.00 H new ATOM 0 HA MET A 136 -2.641 3.310 -4.410 1.00 0.00 H new ATOM 0 HB2 MET A 136 -3.839 1.867 -2.012 1.00 0.00 H new ATOM 0 HB3 MET A 136 -4.563 1.748 -3.604 1.00 0.00 H new ATOM 0 HG2 MET A 136 -1.699 0.983 -2.848 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.982 -0.116 -3.313 1.00 0.00 H new ATOM 0 HE1 MET A 136 -3.789 1.167 -6.960 1.00 0.00 H new ATOM 0 HE2 MET A 136 -4.445 0.457 -5.466 1.00 0.00 H new ATOM 0 HE3 MET A 136 -4.242 2.220 -5.599 1.00 0.00 H new ATOM 2193 N LYS A 137 -4.732 4.671 -2.254 1.00 0.00 N ATOM 2194 CA LYS A 137 -5.850 5.639 -2.208 1.00 0.00 C ATOM 2195 C LYS A 137 -5.382 6.911 -2.907 1.00 0.00 C ATOM 2196 O LYS A 137 -6.078 7.477 -3.725 1.00 0.00 O ATOM 2197 CB LYS A 137 -6.211 5.942 -0.752 1.00 0.00 C ATOM 2198 CG LYS A 137 -7.501 6.763 -0.702 1.00 0.00 C ATOM 2199 CD LYS A 137 -7.686 7.329 0.707 1.00 0.00 C ATOM 2200 CE LYS A 137 -8.049 6.198 1.673 1.00 0.00 C ATOM 2201 NZ LYS A 137 -6.958 6.031 2.674 1.00 0.00 N ATOM 0 H LYS A 137 -4.395 4.341 -1.349 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.734 5.235 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -6.338 5.012 -0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -5.400 6.491 -0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -7.458 7.574 -1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -8.353 6.139 -0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -6.770 7.821 1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -8.471 8.085 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -8.989 6.424 2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -8.198 5.269 1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -7.204 5.263 3.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -6.071 5.797 2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -6.837 6.916 3.207 1.00 0.00 H new ATOM 2215 N ALA A 138 -4.184 7.340 -2.607 1.00 0.00 N ATOM 2216 CA ALA A 138 -3.639 8.556 -3.267 1.00 0.00 C ATOM 2217 C ALA A 138 -3.291 8.222 -4.720 1.00 0.00 C ATOM 2218 O ALA A 138 -3.539 8.999 -5.620 1.00 0.00 O ATOM 2219 CB ALA A 138 -2.388 9.028 -2.530 1.00 0.00 C ATOM 0 H ALA A 138 -3.561 6.898 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 138 -4.384 9.352 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -1.993 9.919 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -2.641 9.262 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.635 8.240 -2.549 1.00 0.00 H new ATOM 2225 N ALA A 139 -2.734 7.061 -4.964 1.00 0.00 N ATOM 2226 CA ALA A 139 -2.402 6.696 -6.368 1.00 0.00 C ATOM 2227 C ALA A 139 -3.685 6.796 -7.185 1.00 0.00 C ATOM 2228 O ALA A 139 -3.698 7.294 -8.293 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.872 5.257 -6.420 1.00 0.00 C ATOM 0 H ALA A 139 -2.499 6.362 -4.260 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.637 7.363 -6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.631 4.995 -7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.975 5.177 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -2.633 4.575 -6.041 1.00 0.00 H new ATOM 2235 N LEU A 140 -4.769 6.340 -6.623 1.00 0.00 N ATOM 2236 CA LEU A 140 -6.075 6.416 -7.329 1.00 0.00 C ATOM 2237 C LEU A 140 -6.593 7.856 -7.289 1.00 0.00 C ATOM 2238 O LEU A 140 -7.066 8.386 -8.275 1.00 0.00 O ATOM 2239 CB LEU A 140 -7.070 5.495 -6.625 1.00 0.00 C ATOM 2240 CG LEU A 140 -6.756 4.042 -6.985 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -7.235 3.121 -5.862 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -7.487 3.681 -8.274 1.00 0.00 C ATOM 0 H LEU A 140 -4.805 5.914 -5.697 1.00 0.00 H new ATOM 0 HA LEU A 140 -5.955 6.107 -8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -7.012 5.635 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -8.088 5.744 -6.924 1.00 0.00 H new ATOM 0 HG LEU A 140 -5.681 3.922 -7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -7.011 2.086 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -6.725 3.383 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -8.311 3.237 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -7.269 2.646 -8.538 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.561 3.800 -8.129 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -7.155 4.339 -9.077 1.00 0.00 H new ATOM 2254 N GLN A 141 -6.507 8.497 -6.151 1.00 0.00 N ATOM 2255 CA GLN A 141 -6.995 9.902 -6.044 1.00 0.00 C ATOM 2256 C GLN A 141 -6.099 10.821 -6.873 1.00 0.00 C ATOM 2257 O GLN A 141 -6.574 11.618 -7.658 1.00 0.00 O ATOM 2258 CB GLN A 141 -6.981 10.335 -4.572 1.00 0.00 C ATOM 2259 CG GLN A 141 -6.357 11.727 -4.433 1.00 0.00 C ATOM 2260 CD GLN A 141 -6.497 12.203 -2.985 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -7.172 11.478 -2.134 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -5.986 13.244 -2.624 1.00 0.00 N flip ATOM 0 H GLN A 141 -6.120 8.107 -5.292 1.00 0.00 H new ATOM 0 HA GLN A 141 -8.014 9.967 -6.425 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -7.998 10.344 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -6.416 9.615 -3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -5.305 11.696 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -6.849 12.428 -5.107 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -5.459 13.811 -3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -6.084 13.552 -1.656 1.00 0.00 H new ATOM 2271 N GLU A 142 -4.808 10.715 -6.721 1.00 0.00 N ATOM 2272 CA GLU A 142 -3.900 11.584 -7.517 1.00 0.00 C ATOM 2273 C GLU A 142 -4.060 11.228 -8.991 1.00 0.00 C ATOM 2274 O GLU A 142 -4.024 12.080 -9.858 1.00 0.00 O ATOM 2275 CB GLU A 142 -2.451 11.356 -7.080 1.00 0.00 C ATOM 2276 CG GLU A 142 -2.280 11.810 -5.627 1.00 0.00 C ATOM 2277 CD GLU A 142 -0.818 11.650 -5.208 1.00 0.00 C ATOM 2278 OE1 GLU A 142 -0.070 11.042 -5.955 1.00 0.00 O ATOM 2279 OE2 GLU A 142 -0.471 12.142 -4.146 1.00 0.00 O ATOM 0 H GLU A 142 -4.345 10.067 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 142 -4.151 12.633 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -2.192 10.301 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -1.773 11.911 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -2.587 12.851 -5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -2.923 11.221 -4.973 1.00 0.00 H new ATOM 2287 N GLY A 143 -4.255 9.972 -9.282 1.00 0.00 N ATOM 2288 CA GLY A 143 -4.438 9.559 -10.699 1.00 0.00 C ATOM 2289 C GLY A 143 -5.701 10.227 -11.244 1.00 0.00 C ATOM 2290 O GLY A 143 -5.721 10.739 -12.342 1.00 0.00 O ATOM 0 H GLY A 143 -4.295 9.215 -8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.571 9.849 -11.292 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.524 8.475 -10.769 1.00 0.00 H new ATOM 2294 N HIS A 144 -6.752 10.232 -10.468 1.00 0.00 N ATOM 2295 CA HIS A 144 -8.018 10.873 -10.919 1.00 0.00 C ATOM 2296 C HIS A 144 -7.779 12.364 -11.150 1.00 0.00 C ATOM 2297 O HIS A 144 -8.373 12.973 -12.018 1.00 0.00 O ATOM 2298 CB HIS A 144 -9.089 10.701 -9.837 1.00 0.00 C ATOM 2299 CG HIS A 144 -10.114 9.694 -10.281 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -10.654 8.757 -9.410 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -10.720 9.471 -11.494 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -11.542 8.022 -10.107 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -11.616 8.416 -11.376 1.00 0.00 N ATOM 0 H HIS A 144 -6.786 9.817 -9.537 1.00 0.00 H new ATOM 0 HA HIS A 144 -8.350 10.405 -11.846 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -8.627 10.375 -8.905 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -9.571 11.658 -9.636 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -10.421 8.646 -8.423 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -10.529 10.029 -12.399 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -12.122 7.213 -9.688 1.00 0.00 H new ATOM 2312 N GLN A 145 -6.923 12.962 -10.367 1.00 0.00 N ATOM 2313 CA GLN A 145 -6.657 14.421 -10.525 1.00 0.00 C ATOM 2314 C GLN A 145 -6.185 14.735 -11.947 1.00 0.00 C ATOM 2315 O GLN A 145 -6.692 15.633 -12.591 1.00 0.00 O ATOM 2316 CB GLN A 145 -5.574 14.843 -9.532 1.00 0.00 C ATOM 2317 CG GLN A 145 -5.262 16.325 -9.730 1.00 0.00 C ATOM 2318 CD GLN A 145 -4.421 16.833 -8.556 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -3.386 16.275 -8.247 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -4.825 17.875 -7.887 1.00 0.00 N ATOM 0 H GLN A 145 -6.396 12.503 -9.624 1.00 0.00 H new ATOM 0 HA GLN A 145 -7.580 14.968 -10.334 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -5.910 14.663 -8.511 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -4.674 14.246 -9.681 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -4.724 16.472 -10.667 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -6.188 16.896 -9.801 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -5.693 18.343 -8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -4.273 18.223 -7.103 1.00 0.00 H new ATOM 2329 N PHE A 146 -5.221 14.015 -12.441 1.00 0.00 N ATOM 2330 CA PHE A 146 -4.725 14.293 -13.820 1.00 0.00 C ATOM 2331 C PHE A 146 -5.863 14.086 -14.818 1.00 0.00 C ATOM 2332 O PHE A 146 -6.076 14.885 -15.704 1.00 0.00 O ATOM 2333 CB PHE A 146 -3.580 13.339 -14.162 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.875 13.812 -15.413 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.479 13.658 -16.670 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.603 14.389 -15.319 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -2.809 14.080 -17.822 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -0.939 14.813 -16.475 1.00 0.00 C ATOM 2339 CZ PHE A 146 -1.545 14.656 -17.726 1.00 0.00 C ATOM 0 H PHE A 146 -4.755 13.249 -11.955 1.00 0.00 H new ATOM 0 HA PHE A 146 -4.368 15.321 -13.872 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -2.875 13.291 -13.332 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.967 12.331 -14.311 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.460 13.214 -16.747 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -1.134 14.507 -14.353 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -3.273 13.959 -18.790 1.00 0.00 H new ATOM 0 HE2 PHE A 146 0.041 15.261 -16.402 1.00 0.00 H new ATOM 0 HZ PHE A 146 -1.032 14.982 -18.619 1.00 0.00 H new ATOM 2349 N LEU A 147 -6.590 13.009 -14.681 1.00 0.00 N ATOM 2350 CA LEU A 147 -7.709 12.734 -15.625 1.00 0.00 C ATOM 2351 C LEU A 147 -8.640 13.944 -15.683 1.00 0.00 C ATOM 2352 O LEU A 147 -9.063 14.359 -16.742 1.00 0.00 O ATOM 2353 CB LEU A 147 -8.484 11.508 -15.140 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.509 10.339 -14.972 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.275 9.072 -14.592 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -6.758 10.106 -16.284 1.00 0.00 C ATOM 0 H LEU A 147 -6.456 12.307 -13.954 1.00 0.00 H new ATOM 0 HA LEU A 147 -7.311 12.543 -16.621 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -8.979 11.725 -14.193 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -9.264 11.248 -15.855 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.798 10.579 -14.182 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -7.575 8.245 -14.474 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.805 9.235 -13.654 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.992 8.831 -15.377 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.064 9.274 -16.163 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -7.471 9.872 -17.075 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.203 11.005 -16.550 1.00 0.00 H new ATOM 2368 N CYS A 148 -8.947 14.529 -14.559 1.00 0.00 N ATOM 2369 CA CYS A 148 -9.836 15.721 -14.570 1.00 0.00 C ATOM 2370 C CYS A 148 -9.151 16.830 -15.365 1.00 0.00 C ATOM 2371 O CYS A 148 -9.788 17.715 -15.901 1.00 0.00 O ATOM 2372 CB CYS A 148 -10.084 16.196 -13.138 1.00 0.00 C ATOM 2373 SG CYS A 148 -9.607 17.936 -12.986 1.00 0.00 S ATOM 0 H CYS A 148 -8.622 14.234 -13.638 1.00 0.00 H new ATOM 0 HA CYS A 148 -10.792 15.466 -15.028 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -11.136 16.073 -12.880 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -9.511 15.588 -12.438 1.00 0.00 H new ATOM 0 HG CYS A 148 -10.009 18.589 -14.036 1.00 0.00 H new ATOM 2379 N SER A 149 -7.850 16.784 -15.439 1.00 0.00 N ATOM 2380 CA SER A 149 -7.107 17.832 -16.191 1.00 0.00 C ATOM 2381 C SER A 149 -7.104 17.498 -17.684 1.00 0.00 C ATOM 2382 O SER A 149 -6.753 18.318 -18.509 1.00 0.00 O ATOM 2383 CB SER A 149 -5.667 17.886 -15.686 1.00 0.00 C ATOM 2384 OG SER A 149 -5.120 19.171 -15.958 1.00 0.00 O ATOM 0 H SER A 149 -7.269 16.064 -15.010 1.00 0.00 H new ATOM 0 HA SER A 149 -7.592 18.796 -16.039 1.00 0.00 H new ATOM 0 HB2 SER A 149 -5.638 17.685 -14.615 1.00 0.00 H new ATOM 0 HB3 SER A 149 -5.070 17.114 -16.172 1.00 0.00 H new ATOM 0 HG SER A 149 -4.196 19.209 -15.633 1.00 0.00 H new ATOM 2390 N ILE A 150 -7.487 16.306 -18.043 1.00 0.00 N ATOM 2391 CA ILE A 150 -7.499 15.935 -19.479 1.00 0.00 C ATOM 2392 C ILE A 150 -8.877 16.224 -20.047 1.00 0.00 C ATOM 2393 O ILE A 150 -9.544 17.160 -19.650 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.194 14.444 -19.622 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.010 14.085 -18.728 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -6.834 14.130 -21.072 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -5.584 12.639 -19.000 1.00 0.00 C ATOM 0 H ILE A 150 -7.792 15.574 -17.402 1.00 0.00 H new ATOM 0 HA ILE A 150 -6.746 16.510 -20.017 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.071 13.867 -19.330 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.178 14.763 -18.919 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.283 14.204 -17.680 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -6.617 13.066 -21.171 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.671 14.391 -21.719 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -5.957 14.708 -21.362 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -4.739 12.383 -18.362 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.416 11.968 -18.787 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -5.294 12.536 -20.046 1.00 0.00 H new ATOM 2409 N GLU A 151 -9.311 15.421 -20.963 1.00 0.00 N ATOM 2410 CA GLU A 151 -10.657 15.631 -21.557 1.00 0.00 C ATOM 2411 C GLU A 151 -11.676 14.850 -20.735 1.00 0.00 C ATOM 2412 O GLU A 151 -12.799 14.626 -21.137 1.00 0.00 O ATOM 2413 CB GLU A 151 -10.656 15.157 -23.009 1.00 0.00 C ATOM 2414 CG GLU A 151 -12.012 15.466 -23.637 1.00 0.00 C ATOM 2415 CD GLU A 151 -11.954 15.205 -25.144 1.00 0.00 C ATOM 2416 OE1 GLU A 151 -10.922 14.747 -25.607 1.00 0.00 O ATOM 2417 OE2 GLU A 151 -12.940 15.472 -25.809 1.00 0.00 O ATOM 0 H GLU A 151 -8.793 14.623 -21.331 1.00 0.00 H new ATOM 0 HA GLU A 151 -10.918 16.689 -21.544 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -9.862 15.654 -23.566 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -10.456 14.087 -23.055 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -12.784 14.847 -23.180 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -12.283 16.505 -23.448 1.00 0.00 H new ATOM 2425 N ALA A 152 -11.272 14.446 -19.573 1.00 0.00 N ATOM 2426 CA ALA A 152 -12.180 13.679 -18.680 1.00 0.00 C ATOM 2427 C ALA A 152 -13.318 14.581 -18.202 1.00 0.00 C ATOM 2428 O ALA A 152 -14.461 14.176 -18.143 1.00 0.00 O ATOM 2429 CB ALA A 152 -11.393 13.180 -17.468 1.00 0.00 C ATOM 0 H ALA A 152 -10.340 14.615 -19.195 1.00 0.00 H new ATOM 0 HA ALA A 152 -12.594 12.833 -19.228 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -12.056 12.617 -16.811 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -10.580 12.535 -17.802 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -10.982 14.031 -16.926 1.00 0.00 H new ATOM 2435 N LEU A 153 -13.013 15.804 -17.855 1.00 0.00 N ATOM 2436 CA LEU A 153 -14.078 16.727 -17.376 1.00 0.00 C ATOM 2437 C LEU A 153 -15.239 16.725 -18.373 1.00 0.00 C ATOM 2438 O LEU A 153 -15.201 16.019 -19.378 1.00 0.00 O ATOM 2439 CB LEU A 153 -13.513 18.146 -17.255 1.00 0.00 C ATOM 2440 CG LEU A 153 -12.947 18.584 -18.604 1.00 0.00 C ATOM 2441 CD1 LEU A 153 -13.925 19.547 -19.277 1.00 0.00 C ATOM 2442 CD2 LEU A 153 -11.606 19.288 -18.391 1.00 0.00 C ATOM 0 H LEU A 153 -12.074 16.201 -17.883 1.00 0.00 H new ATOM 0 HA LEU A 153 -14.433 16.395 -16.401 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -14.295 18.835 -16.936 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -12.733 18.175 -16.494 1.00 0.00 H new ATOM 0 HG LEU A 153 -12.802 17.709 -19.238 1.00 0.00 H new ATOM 0 HD11 LEU A 153 -13.522 19.861 -20.240 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -14.881 19.047 -19.429 1.00 0.00 H new ATOM 0 HD13 LEU A 153 -14.070 20.421 -18.642 1.00 0.00 H new ATOM 0 HD21 LEU A 153 -11.202 19.601 -19.354 1.00 0.00 H new ATOM 0 HD22 LEU A 153 -11.751 20.163 -17.757 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -10.908 18.603 -17.910 1.00 0.00 H new