USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 716 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 55 GLN : amide:sc= -10.3! C(o=-10!,f=-9.3!) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 142:sc= -6.23! (180deg=-8.61!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -66:sc= 1.14 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -5.86! C(o=-5.9!,f=-3.7!) USER MOD Single : A 28 HIS : no HD1:sc=-0.00182 X(o=-0.0018,f=-0.17) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -140:sc= -0.807 USER MOD Single : A 47 SER OG : rot -45:sc= -2.77! USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 1.09 (180deg=1) USER MOD Single : A 52 ASN : amide:sc= -1.75 K(o=-1.8,f=-2.8) USER MOD Single : A 56 HIS : no HE2:sc= -6.1! C(o=-6.1!,f=-7.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -127:sc= -4.85! (180deg=-6.29!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.4! C(o=-1.4!,f=-6.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0922 USER MOD Single : A 78 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.52) USER MOD Single : A 83 TYR OH : rot 100:sc= 0.135 USER MOD Single : A 84 HIS : no HD1:sc= -3.02 X(o=-3,f=-3.5) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 87 THR OG1 : rot -52:sc= 0.83 USER MOD Single : A 88 SER OG : rot -166:sc= -1.12! USER MOD Single : A 94 GLN : amide:sc= -2.75! C(o=-2.7!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 8 9.190 4.522 8.288 1.00 0.00 N ATOM 115 CA PRO A 8 8.019 3.655 8.203 1.00 0.00 C ATOM 116 C PRO A 8 7.758 3.067 6.802 1.00 0.00 C ATOM 117 O PRO A 8 8.587 2.364 6.238 1.00 0.00 O ATOM 118 CB PRO A 8 6.873 4.539 8.724 1.00 0.00 C ATOM 119 CG PRO A 8 7.557 5.572 9.618 1.00 0.00 C ATOM 120 CD PRO A 8 8.922 5.784 8.965 1.00 0.00 C ATOM 0 HA PRO A 8 8.148 2.748 8.793 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.337 5.017 7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.143 3.953 9.283 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.988 6.500 9.662 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.656 5.210 10.641 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.903 6.617 8.263 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.688 6.009 9.707 1.00 0.00 H new ATOM 128 N TRP A 9 6.553 3.381 6.292 1.00 0.00 N ATOM 129 CA TRP A 9 6.134 2.822 5.009 1.00 0.00 C ATOM 130 C TRP A 9 5.253 3.806 4.212 1.00 0.00 C ATOM 131 O TRP A 9 4.423 3.405 3.404 1.00 0.00 O ATOM 132 CB TRP A 9 5.421 1.460 5.173 1.00 0.00 C ATOM 133 CG TRP A 9 4.489 1.390 6.371 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.652 0.523 7.457 1.00 0.00 C ATOM 135 CD2 TRP A 9 3.299 2.165 6.638 1.00 0.00 C ATOM 136 NE1 TRP A 9 3.660 0.707 8.363 1.00 0.00 N ATOM 137 CE2 TRP A 9 2.793 1.698 7.926 1.00 0.00 C ATOM 138 CE3 TRP A 9 2.616 3.190 5.938 1.00 0.00 C ATOM 139 CZ2 TRP A 9 1.621 2.263 8.483 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.421 3.771 6.501 1.00 0.00 C ATOM 141 CH2 TRP A 9 0.924 3.307 7.774 1.00 0.00 C ATOM 0 H TRP A 9 5.876 4.000 6.738 1.00 0.00 H new ATOM 0 HA TRP A 9 7.046 2.651 4.437 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.850 1.249 4.269 1.00 0.00 H new ATOM 0 HB3 TRP A 9 6.173 0.677 5.265 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.455 -0.192 7.559 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.565 0.192 9.238 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.989 3.536 4.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.250 1.913 9.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.899 4.553 5.970 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.030 3.742 8.196 1.00 0.00 H new ATOM 152 N PHE A 10 5.489 5.106 4.482 1.00 0.00 N ATOM 153 CA PHE A 10 4.653 6.117 3.867 1.00 0.00 C ATOM 154 C PHE A 10 5.387 6.773 2.694 1.00 0.00 C ATOM 155 O PHE A 10 6.410 7.426 2.857 1.00 0.00 O ATOM 156 CB PHE A 10 4.307 7.172 4.920 1.00 0.00 C ATOM 157 CG PHE A 10 3.289 8.148 4.409 1.00 0.00 C ATOM 158 CD1 PHE A 10 1.889 7.808 4.420 1.00 0.00 C ATOM 159 CD2 PHE A 10 3.704 9.434 3.907 1.00 0.00 C ATOM 160 CE1 PHE A 10 0.911 8.744 3.933 1.00 0.00 C ATOM 161 CE2 PHE A 10 2.728 10.372 3.423 1.00 0.00 C ATOM 162 CZ PHE A 10 1.331 10.027 3.435 1.00 0.00 C ATOM 0 H PHE A 10 6.223 5.456 5.097 1.00 0.00 H new ATOM 0 HA PHE A 10 3.742 5.656 3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.925 6.682 5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.211 7.707 5.211 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.572 6.846 4.796 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.752 9.694 3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.137 8.484 3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.043 11.335 3.050 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.598 10.731 3.070 1.00 0.00 H new ATOM 172 N PHE A 11 4.783 6.569 1.509 1.00 0.00 N ATOM 173 CA PHE A 11 5.326 7.240 0.343 1.00 0.00 C ATOM 174 C PHE A 11 4.392 8.395 -0.032 1.00 0.00 C ATOM 175 O PHE A 11 3.311 8.210 -0.575 1.00 0.00 O ATOM 176 CB PHE A 11 5.503 6.246 -0.811 1.00 0.00 C ATOM 177 CG PHE A 11 6.627 5.287 -0.537 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.586 4.406 0.603 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.764 5.248 -1.420 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.671 3.496 0.858 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.850 4.338 -1.168 1.00 0.00 C ATOM 182 CZ PHE A 11 8.803 3.463 -0.029 1.00 0.00 C ATOM 0 H PHE A 11 3.967 5.979 1.349 1.00 0.00 H new ATOM 0 HA PHE A 11 6.313 7.646 0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.577 5.691 -0.961 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.702 6.789 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.736 4.429 1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.802 5.905 -2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.636 2.839 1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.700 4.313 -1.834 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.618 2.780 0.161 1.00 0.00 H new ATOM 192 N GLY A 12 4.905 9.587 0.332 1.00 0.00 N ATOM 193 CA GLY A 12 4.151 10.826 0.220 1.00 0.00 C ATOM 194 C GLY A 12 3.018 10.742 -0.803 1.00 0.00 C ATOM 195 O GLY A 12 1.991 10.111 -0.587 1.00 0.00 O ATOM 0 H GLY A 12 5.846 9.705 0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.736 11.082 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.828 11.633 -0.060 1.00 0.00 H new ATOM 199 N LYS A 13 3.270 11.451 -1.916 1.00 0.00 N ATOM 200 CA LYS A 13 2.269 11.458 -2.962 1.00 0.00 C ATOM 201 C LYS A 13 2.851 10.795 -4.207 1.00 0.00 C ATOM 202 O LYS A 13 2.807 11.330 -5.308 1.00 0.00 O ATOM 203 CB LYS A 13 1.853 12.898 -3.268 1.00 0.00 C ATOM 204 CG LYS A 13 3.040 13.744 -3.728 1.00 0.00 C ATOM 205 CD LYS A 13 2.675 15.218 -3.919 1.00 0.00 C ATOM 206 CE LYS A 13 1.747 15.450 -5.114 1.00 0.00 C ATOM 207 NZ LYS A 13 0.383 15.001 -4.865 1.00 0.00 N ATOM 0 H LYS A 13 4.114 11.995 -2.099 1.00 0.00 H new ATOM 0 HA LYS A 13 1.387 10.905 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.085 12.898 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.410 13.346 -2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.843 13.665 -2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.424 13.344 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.194 15.588 -3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.587 15.799 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.736 16.512 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.144 14.926 -5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.287 15.667 -5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.248 14.056 -5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.213 14.959 -3.840 1.00 0.00 H new ATOM 221 N ILE A 14 3.417 9.603 -3.947 1.00 0.00 N ATOM 222 CA ILE A 14 4.080 8.933 -5.046 1.00 0.00 C ATOM 223 C ILE A 14 3.018 8.472 -6.055 1.00 0.00 C ATOM 224 O ILE A 14 2.004 7.889 -5.690 1.00 0.00 O ATOM 225 CB ILE A 14 4.887 7.749 -4.510 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.888 7.249 -5.547 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.969 6.621 -4.049 1.00 0.00 C ATOM 228 CD1 ILE A 14 7.076 8.203 -5.652 1.00 0.00 C ATOM 0 H ILE A 14 3.425 9.122 -3.048 1.00 0.00 H new ATOM 0 HA ILE A 14 4.770 9.611 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 14 5.450 8.098 -3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.237 6.254 -5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.400 7.159 -6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.570 5.793 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.316 6.985 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.364 6.278 -4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.778 7.829 -6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.724 9.191 -5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.574 8.271 -4.685 1.00 0.00 H new ATOM 240 N PRO A 15 3.289 8.779 -7.345 1.00 0.00 N ATOM 241 CA PRO A 15 2.358 8.486 -8.426 1.00 0.00 C ATOM 242 C PRO A 15 2.174 6.982 -8.636 1.00 0.00 C ATOM 243 O PRO A 15 3.125 6.235 -8.833 1.00 0.00 O ATOM 244 CB PRO A 15 2.987 9.126 -9.663 1.00 0.00 C ATOM 245 CG PRO A 15 4.464 9.320 -9.315 1.00 0.00 C ATOM 246 CD PRO A 15 4.514 9.426 -7.790 1.00 0.00 C ATOM 0 HA PRO A 15 1.363 8.874 -8.207 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.870 8.487 -10.538 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.511 10.078 -9.898 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.064 8.482 -9.670 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.863 10.219 -9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.396 8.929 -7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.556 10.465 -7.465 1.00 0.00 H new ATOM 254 N ARG A 16 0.881 6.604 -8.575 1.00 0.00 N ATOM 255 CA ARG A 16 0.507 5.210 -8.766 1.00 0.00 C ATOM 256 C ARG A 16 1.463 4.511 -9.739 1.00 0.00 C ATOM 257 O ARG A 16 1.867 3.372 -9.540 1.00 0.00 O ATOM 258 CB ARG A 16 -0.920 5.143 -9.313 1.00 0.00 C ATOM 259 CG ARG A 16 -1.371 3.704 -9.569 1.00 0.00 C ATOM 260 CD ARG A 16 -2.765 3.651 -10.195 1.00 0.00 C ATOM 261 NE ARG A 16 -3.140 2.276 -10.468 1.00 0.00 N ATOM 262 CZ ARG A 16 -3.729 1.554 -9.496 1.00 0.00 C ATOM 263 NH1 ARG A 16 -3.960 2.098 -8.304 1.00 0.00 N ATOM 264 NH2 ARG A 16 -4.078 0.293 -9.727 1.00 0.00 N ATOM 0 H ARG A 16 0.102 7.238 -8.398 1.00 0.00 H new ATOM 0 HA ARG A 16 0.565 4.699 -7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.601 5.616 -8.606 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.979 5.712 -10.241 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.657 3.211 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.373 3.151 -8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.491 4.107 -9.522 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.779 4.230 -11.119 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.960 1.862 -11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.691 3.065 -8.124 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.406 1.548 -7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.900 -0.127 -10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.524 -0.256 -8.992 1.00 0.00 H new ATOM 278 N ALA A 17 1.805 5.277 -10.791 1.00 0.00 N ATOM 279 CA ALA A 17 2.755 4.736 -11.741 1.00 0.00 C ATOM 280 C ALA A 17 4.032 4.325 -11.005 1.00 0.00 C ATOM 281 O ALA A 17 4.291 3.152 -10.766 1.00 0.00 O ATOM 282 CB ALA A 17 3.072 5.784 -12.808 1.00 0.00 C ATOM 0 H ALA A 17 1.455 6.215 -10.987 1.00 0.00 H new ATOM 0 HA ALA A 17 2.327 3.860 -12.228 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.787 5.373 -13.521 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.156 6.059 -13.331 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.499 6.668 -12.334 1.00 0.00 H new ATOM 288 N LYS A 18 4.808 5.374 -10.672 1.00 0.00 N ATOM 289 CA LYS A 18 6.079 5.124 -10.012 1.00 0.00 C ATOM 290 C LYS A 18 5.954 3.982 -9.000 1.00 0.00 C ATOM 291 O LYS A 18 6.837 3.141 -8.870 1.00 0.00 O ATOM 292 CB LYS A 18 6.561 6.390 -9.308 1.00 0.00 C ATOM 293 CG LYS A 18 7.969 6.204 -8.748 1.00 0.00 C ATOM 294 CD LYS A 18 9.000 5.983 -9.856 1.00 0.00 C ATOM 295 CE LYS A 18 10.411 5.803 -9.295 1.00 0.00 C ATOM 296 NZ LYS A 18 11.402 5.596 -10.343 1.00 0.00 N ATOM 0 H LYS A 18 4.583 6.354 -10.843 1.00 0.00 H new ATOM 0 HA LYS A 18 6.806 4.834 -10.771 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.552 7.225 -10.008 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.875 6.644 -8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.246 7.082 -8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.979 5.352 -8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.725 5.103 -10.437 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.987 6.832 -10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.682 6.682 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.423 4.952 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.342 5.479 -9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.161 4.742 -10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.412 6.419 -10.979 1.00 0.00 H new ATOM 310 N ALA A 19 4.805 4.001 -8.300 1.00 0.00 N ATOM 311 CA ALA A 19 4.594 2.928 -7.350 1.00 0.00 C ATOM 312 C ALA A 19 4.741 1.595 -8.077 1.00 0.00 C ATOM 313 O ALA A 19 5.698 0.854 -7.889 1.00 0.00 O ATOM 314 CB ALA A 19 3.199 3.036 -6.732 1.00 0.00 C ATOM 0 H ALA A 19 4.065 4.699 -8.372 1.00 0.00 H new ATOM 0 HA ALA A 19 5.330 2.997 -6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.053 2.224 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.102 3.992 -6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.447 2.969 -7.518 1.00 0.00 H new ATOM 320 N GLU A 20 3.720 1.352 -8.918 1.00 0.00 N ATOM 321 CA GLU A 20 3.702 0.107 -9.662 1.00 0.00 C ATOM 322 C GLU A 20 5.110 -0.261 -10.138 1.00 0.00 C ATOM 323 O GLU A 20 5.538 -1.407 -10.071 1.00 0.00 O ATOM 324 CB GLU A 20 2.788 0.250 -10.878 1.00 0.00 C ATOM 325 CG GLU A 20 1.326 0.449 -10.479 1.00 0.00 C ATOM 326 CD GLU A 20 0.460 0.600 -11.732 1.00 0.00 C ATOM 327 OE1 GLU A 20 0.311 1.722 -12.211 1.00 0.00 O ATOM 328 OE2 GLU A 20 -0.058 -0.408 -12.211 1.00 0.00 O ATOM 0 H GLU A 20 2.934 1.979 -9.087 1.00 0.00 H new ATOM 0 HA GLU A 20 3.333 -0.680 -9.005 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.117 1.097 -11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.875 -0.639 -11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.982 -0.401 -9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.229 1.334 -9.850 1.00 0.00 H new ATOM 335 N GLU A 21 5.788 0.789 -10.631 1.00 0.00 N ATOM 336 CA GLU A 21 7.092 0.543 -11.213 1.00 0.00 C ATOM 337 C GLU A 21 8.047 -0.026 -10.161 1.00 0.00 C ATOM 338 O GLU A 21 8.137 -1.230 -9.962 1.00 0.00 O ATOM 339 CB GLU A 21 7.634 1.835 -11.821 1.00 0.00 C ATOM 340 CG GLU A 21 6.643 2.425 -12.824 1.00 0.00 C ATOM 341 CD GLU A 21 7.273 3.620 -13.542 1.00 0.00 C ATOM 342 OE1 GLU A 21 7.155 4.737 -13.038 1.00 0.00 O ATOM 343 OE2 GLU A 21 7.870 3.422 -14.599 1.00 0.00 O ATOM 0 H GLU A 21 5.469 1.758 -10.635 1.00 0.00 H new ATOM 0 HA GLU A 21 7.001 -0.198 -12.008 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.831 2.559 -11.030 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.585 1.637 -12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.353 1.666 -13.550 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.735 2.737 -12.309 1.00 0.00 H new ATOM 350 N MET A 22 8.761 0.914 -9.516 1.00 0.00 N ATOM 351 CA MET A 22 9.740 0.463 -8.543 1.00 0.00 C ATOM 352 C MET A 22 9.148 -0.632 -7.646 1.00 0.00 C ATOM 353 O MET A 22 9.809 -1.605 -7.304 1.00 0.00 O ATOM 354 CB MET A 22 10.223 1.642 -7.699 1.00 0.00 C ATOM 355 CG MET A 22 9.123 2.192 -6.790 1.00 0.00 C ATOM 356 SD MET A 22 9.707 3.601 -5.834 1.00 0.00 S ATOM 357 CE MET A 22 10.354 2.693 -4.420 1.00 0.00 C ATOM 0 H MET A 22 8.681 1.923 -9.645 1.00 0.00 H new ATOM 0 HA MET A 22 10.591 0.041 -9.077 1.00 0.00 H new ATOM 0 HB2 MET A 22 11.071 1.328 -7.091 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.579 2.435 -8.356 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.265 2.490 -7.393 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.781 1.408 -6.114 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.770 3.394 -3.696 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.549 2.125 -3.954 1.00 0.00 H new ATOM 0 HE3 MET A 22 11.135 2.010 -4.753 1.00 0.00 H new ATOM 367 N LEU A 23 7.868 -0.413 -7.293 1.00 0.00 N ATOM 368 CA LEU A 23 7.234 -1.370 -6.405 1.00 0.00 C ATOM 369 C LEU A 23 7.221 -2.767 -7.033 1.00 0.00 C ATOM 370 O LEU A 23 7.463 -3.770 -6.374 1.00 0.00 O ATOM 371 CB LEU A 23 5.806 -0.922 -6.105 1.00 0.00 C ATOM 372 CG LEU A 23 5.191 -1.711 -4.953 1.00 0.00 C ATOM 373 CD1 LEU A 23 5.987 -1.496 -3.665 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.735 -1.298 -4.752 1.00 0.00 C ATOM 0 H LEU A 23 7.291 0.373 -7.594 1.00 0.00 H new ATOM 0 HA LEU A 23 7.804 -1.416 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.803 0.140 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.192 -1.045 -6.997 1.00 0.00 H new ATOM 0 HG LEU A 23 5.225 -2.771 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.532 -2.067 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.014 -1.830 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.984 -0.437 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.306 -1.867 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.687 -0.234 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.171 -1.498 -5.663 1.00 0.00 H new ATOM 386 N SER A 24 6.929 -2.762 -8.347 1.00 0.00 N ATOM 387 CA SER A 24 6.974 -4.033 -9.053 1.00 0.00 C ATOM 388 C SER A 24 8.418 -4.555 -9.129 1.00 0.00 C ATOM 389 O SER A 24 8.679 -5.745 -9.011 1.00 0.00 O ATOM 390 CB SER A 24 6.403 -3.870 -10.463 1.00 0.00 C ATOM 391 OG SER A 24 7.150 -2.934 -11.198 1.00 0.00 O ATOM 0 H SER A 24 6.676 -1.945 -8.902 1.00 0.00 H new ATOM 0 HA SER A 24 6.370 -4.756 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.410 -4.831 -10.976 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.364 -3.547 -10.404 1.00 0.00 H new ATOM 0 HG SER A 24 7.046 -2.046 -10.798 1.00 0.00 H new ATOM 397 N LYS A 25 9.333 -3.585 -9.313 1.00 0.00 N ATOM 398 CA LYS A 25 10.746 -3.907 -9.324 1.00 0.00 C ATOM 399 C LYS A 25 11.237 -4.287 -7.917 1.00 0.00 C ATOM 400 O LYS A 25 12.360 -3.985 -7.535 1.00 0.00 O ATOM 401 CB LYS A 25 11.488 -2.669 -9.821 1.00 0.00 C ATOM 402 CG LYS A 25 11.091 -2.318 -11.254 1.00 0.00 C ATOM 403 CD LYS A 25 11.270 -0.829 -11.550 1.00 0.00 C ATOM 404 CE LYS A 25 11.268 -0.539 -13.051 1.00 0.00 C ATOM 405 NZ LYS A 25 11.431 0.881 -13.341 1.00 0.00 N ATOM 0 H LYS A 25 9.113 -2.599 -9.452 1.00 0.00 H new ATOM 0 HA LYS A 25 10.931 -4.763 -9.974 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.272 -1.826 -9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.563 -2.843 -9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.694 -2.901 -11.950 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.051 -2.598 -11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.469 -0.265 -11.071 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.208 -0.483 -11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.072 -1.100 -13.528 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.332 -0.891 -13.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.423 1.028 -14.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.650 1.415 -12.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.336 1.213 -12.950 1.00 0.00 H new ATOM 419 N GLN A 26 10.335 -4.959 -7.173 1.00 0.00 N ATOM 420 CA GLN A 26 10.726 -5.380 -5.843 1.00 0.00 C ATOM 421 C GLN A 26 10.924 -6.895 -5.828 1.00 0.00 C ATOM 422 O GLN A 26 10.254 -7.647 -6.524 1.00 0.00 O ATOM 423 CB GLN A 26 9.662 -4.965 -4.829 1.00 0.00 C ATOM 424 CG GLN A 26 9.552 -3.445 -4.722 1.00 0.00 C ATOM 425 CD GLN A 26 10.847 -2.862 -4.153 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.910 -2.934 -4.758 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.678 -2.278 -2.953 1.00 0.00 N ATOM 0 H GLN A 26 9.388 -5.204 -7.461 1.00 0.00 H new ATOM 0 HA GLN A 26 11.665 -4.899 -5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.698 -5.381 -5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.906 -5.383 -3.852 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.353 -3.017 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.712 -3.178 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.755 -2.263 -2.519 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.473 -1.851 -2.477 1.00 0.00 H new ATOM 436 N ARG A 27 11.911 -7.276 -4.999 1.00 0.00 N ATOM 437 CA ARG A 27 12.271 -8.678 -4.958 1.00 0.00 C ATOM 438 C ARG A 27 11.459 -9.392 -3.876 1.00 0.00 C ATOM 439 O ARG A 27 10.592 -10.213 -4.152 1.00 0.00 O ATOM 440 CB ARG A 27 13.766 -8.834 -4.671 1.00 0.00 C ATOM 441 CG ARG A 27 14.651 -8.331 -5.815 1.00 0.00 C ATOM 442 CD ARG A 27 14.668 -6.806 -5.939 1.00 0.00 C ATOM 443 NE ARG A 27 15.641 -6.402 -6.935 1.00 0.00 N ATOM 444 CZ ARG A 27 16.951 -6.510 -6.642 1.00 0.00 C ATOM 445 NH1 ARG A 27 17.337 -6.976 -5.457 1.00 0.00 N ATOM 446 NH2 ARG A 27 17.863 -6.147 -7.539 1.00 0.00 N ATOM 0 H ARG A 27 12.442 -6.660 -4.383 1.00 0.00 H new ATOM 0 HA ARG A 27 12.050 -9.125 -5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.014 -8.289 -3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.987 -9.885 -4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.669 -8.688 -5.662 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.300 -8.761 -6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.678 -6.444 -6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.912 -6.357 -4.976 1.00 0.00 H new ATOM 0 HE ARG A 27 15.339 -6.043 -7.841 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.640 -7.253 -4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.330 -7.056 -5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.570 -5.787 -8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.856 -6.228 -7.319 1.00 0.00 H new ATOM 460 N HIS A 28 11.815 -9.033 -2.631 1.00 0.00 N ATOM 461 CA HIS A 28 11.167 -9.692 -1.514 1.00 0.00 C ATOM 462 C HIS A 28 9.664 -9.410 -1.550 1.00 0.00 C ATOM 463 O HIS A 28 9.197 -8.328 -1.215 1.00 0.00 O ATOM 464 CB HIS A 28 11.767 -9.196 -0.198 1.00 0.00 C ATOM 465 CG HIS A 28 13.239 -9.531 -0.153 1.00 0.00 C ATOM 466 ND1 HIS A 28 13.791 -10.595 -0.776 1.00 0.00 N ATOM 467 CD2 HIS A 28 14.257 -8.827 0.510 1.00 0.00 C ATOM 468 CE1 HIS A 28 15.105 -10.540 -0.497 1.00 0.00 C ATOM 469 NE2 HIS A 28 15.417 -9.484 0.276 1.00 0.00 N ATOM 0 H HIS A 28 12.511 -8.327 -2.391 1.00 0.00 H new ATOM 0 HA HIS A 28 11.327 -10.768 -1.588 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.626 -8.119 -0.106 1.00 0.00 H new ATOM 0 HB3 HIS A 28 11.253 -9.658 0.645 1.00 0.00 H new ATOM 0 HD2 HIS A 28 14.137 -7.929 1.097 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.827 -11.260 -0.852 1.00 0.00 H new ATOM 0 HE2 HIS A 28 16.344 -9.229 0.618 1.00 0.00 H new ATOM 477 N ASP A 29 8.949 -10.469 -1.968 1.00 0.00 N ATOM 478 CA ASP A 29 7.505 -10.349 -2.013 1.00 0.00 C ATOM 479 C ASP A 29 7.004 -9.711 -0.716 1.00 0.00 C ATOM 480 O ASP A 29 7.225 -10.214 0.379 1.00 0.00 O ATOM 481 CB ASP A 29 6.875 -11.729 -2.200 1.00 0.00 C ATOM 482 CG ASP A 29 7.386 -12.362 -3.497 1.00 0.00 C ATOM 483 OD1 ASP A 29 8.255 -11.773 -4.135 1.00 0.00 O ATOM 484 OD2 ASP A 29 6.906 -13.438 -3.853 1.00 0.00 O ATOM 0 H ASP A 29 9.333 -11.367 -2.263 1.00 0.00 H new ATOM 0 HA ASP A 29 7.220 -9.717 -2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.120 -12.368 -1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.789 -11.642 -2.231 1.00 0.00 H new ATOM 489 N GLY A 30 6.325 -8.568 -0.919 1.00 0.00 N ATOM 490 CA GLY A 30 5.838 -7.848 0.246 1.00 0.00 C ATOM 491 C GLY A 30 6.143 -6.339 0.182 1.00 0.00 C ATOM 492 O GLY A 30 5.483 -5.536 0.829 1.00 0.00 O ATOM 0 H GLY A 30 6.115 -8.151 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.761 -7.994 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.291 -8.268 1.144 1.00 0.00 H new ATOM 496 N ALA A 31 7.163 -5.996 -0.633 1.00 0.00 N ATOM 497 CA ALA A 31 7.462 -4.586 -0.803 1.00 0.00 C ATOM 498 C ALA A 31 6.161 -3.830 -1.065 1.00 0.00 C ATOM 499 O ALA A 31 5.504 -4.024 -2.081 1.00 0.00 O ATOM 500 CB ALA A 31 8.429 -4.399 -1.972 1.00 0.00 C ATOM 0 H ALA A 31 7.755 -6.645 -1.151 1.00 0.00 H new ATOM 0 HA ALA A 31 7.931 -4.195 0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.650 -3.339 -2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.353 -4.941 -1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.975 -4.783 -2.885 1.00 0.00 H new ATOM 506 N PHE A 32 5.823 -2.967 -0.087 1.00 0.00 N ATOM 507 CA PHE A 32 4.567 -2.247 -0.255 1.00 0.00 C ATOM 508 C PHE A 32 4.759 -0.749 0.014 1.00 0.00 C ATOM 509 O PHE A 32 5.702 -0.329 0.671 1.00 0.00 O ATOM 510 CB PHE A 32 3.484 -2.848 0.658 1.00 0.00 C ATOM 511 CG PHE A 32 3.613 -2.427 2.096 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.575 -3.053 2.965 1.00 0.00 C ATOM 513 CD2 PHE A 32 2.765 -1.381 2.612 1.00 0.00 C ATOM 514 CE1 PHE A 32 4.686 -2.640 4.340 1.00 0.00 C ATOM 515 CE2 PHE A 32 2.873 -0.969 3.986 1.00 0.00 C ATOM 516 CZ PHE A 32 3.833 -1.602 4.849 1.00 0.00 C ATOM 0 H PHE A 32 6.358 -2.768 0.758 1.00 0.00 H new ATOM 0 HA PHE A 32 4.236 -2.354 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.502 -2.553 0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.533 -3.935 0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.215 -3.835 2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.045 -0.904 1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.410 -3.110 4.988 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.235 -0.186 4.368 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.913 -1.297 5.882 1.00 0.00 H new ATOM 526 N LEU A 33 3.783 0.019 -0.508 1.00 0.00 N ATOM 527 CA LEU A 33 3.768 1.409 -0.098 1.00 0.00 C ATOM 528 C LEU A 33 2.339 1.940 -0.130 1.00 0.00 C ATOM 529 O LEU A 33 1.502 1.511 -0.914 1.00 0.00 O ATOM 530 CB LEU A 33 4.704 2.267 -0.955 1.00 0.00 C ATOM 531 CG LEU A 33 4.403 2.236 -2.454 1.00 0.00 C ATOM 532 CD1 LEU A 33 3.256 3.180 -2.824 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.655 2.619 -3.245 1.00 0.00 C ATOM 0 H LEU A 33 3.057 -0.278 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 33 4.142 1.469 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.649 3.299 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.729 1.932 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 33 4.098 1.221 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.074 3.128 -3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.354 2.884 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.522 4.201 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.433 2.595 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.971 3.623 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.455 1.912 -3.025 1.00 0.00 H new ATOM 545 N ILE A 34 2.126 2.901 0.786 1.00 0.00 N ATOM 546 CA ILE A 34 0.847 3.579 0.761 1.00 0.00 C ATOM 547 C ILE A 34 1.059 5.002 0.245 1.00 0.00 C ATOM 548 O ILE A 34 1.595 5.867 0.926 1.00 0.00 O ATOM 549 CB ILE A 34 0.232 3.598 2.161 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.107 2.184 2.632 1.00 0.00 C ATOM 551 CG2 ILE A 34 -1.013 4.486 2.189 1.00 0.00 C ATOM 552 CD1 ILE A 34 -0.700 2.186 4.042 1.00 0.00 C ATOM 0 H ILE A 34 2.784 3.202 1.504 1.00 0.00 H new ATOM 0 HA ILE A 34 0.159 3.052 0.100 1.00 0.00 H new ATOM 0 HB ILE A 34 0.970 4.014 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.816 1.730 1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.793 1.569 2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.437 4.487 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.740 5.504 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.750 4.101 1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.928 1.163 4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.019 2.617 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.614 2.779 4.051 1.00 0.00 H new ATOM 564 N ARG A 35 0.613 5.168 -1.013 1.00 0.00 N ATOM 565 CA ARG A 35 0.845 6.446 -1.653 1.00 0.00 C ATOM 566 C ARG A 35 -0.376 7.348 -1.481 1.00 0.00 C ATOM 567 O ARG A 35 -1.500 6.986 -1.805 1.00 0.00 O ATOM 568 CB ARG A 35 1.130 6.234 -3.138 1.00 0.00 C ATOM 569 CG ARG A 35 -0.088 5.681 -3.872 1.00 0.00 C ATOM 570 CD ARG A 35 0.226 5.346 -5.329 1.00 0.00 C ATOM 571 NE ARG A 35 -0.957 4.818 -5.983 1.00 0.00 N ATOM 572 CZ ARG A 35 -1.391 3.590 -5.641 1.00 0.00 C ATOM 573 NH1 ARG A 35 -0.736 2.876 -4.729 1.00 0.00 N ATOM 574 NH2 ARG A 35 -2.477 3.087 -6.219 1.00 0.00 N ATOM 0 H ARG A 35 0.119 4.470 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 35 1.706 6.926 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.429 7.180 -3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.968 5.546 -3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.443 4.785 -3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.897 6.411 -3.834 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.571 6.239 -5.850 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.034 4.616 -5.377 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.450 5.366 -6.688 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.099 3.258 -4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.069 1.946 -4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.980 3.631 -6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.807 2.157 -5.961 1.00 0.00 H new ATOM 588 N GLU A 36 -0.070 8.547 -0.957 1.00 0.00 N ATOM 589 CA GLU A 36 -1.148 9.504 -0.807 1.00 0.00 C ATOM 590 C GLU A 36 -1.601 9.969 -2.191 1.00 0.00 C ATOM 591 O GLU A 36 -0.834 10.517 -2.974 1.00 0.00 O ATOM 592 CB GLU A 36 -0.683 10.697 0.026 1.00 0.00 C ATOM 593 CG GLU A 36 -1.818 11.691 0.278 1.00 0.00 C ATOM 594 CD GLU A 36 -1.303 12.867 1.110 1.00 0.00 C ATOM 595 OE1 GLU A 36 -0.373 12.671 1.891 1.00 0.00 O ATOM 596 OE2 GLU A 36 -1.834 13.967 0.965 1.00 0.00 O ATOM 0 H GLU A 36 0.854 8.852 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.984 9.032 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.291 10.344 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.135 11.202 -0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.215 12.052 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.638 11.196 0.799 1.00 0.00 H new ATOM 603 N SER A 37 -2.896 9.707 -2.436 1.00 0.00 N ATOM 604 CA SER A 37 -3.430 10.062 -3.737 1.00 0.00 C ATOM 605 C SER A 37 -2.979 11.474 -4.115 1.00 0.00 C ATOM 606 O SER A 37 -3.253 12.451 -3.427 1.00 0.00 O ATOM 607 CB SER A 37 -4.956 9.976 -3.715 1.00 0.00 C ATOM 608 OG SER A 37 -5.489 10.294 -4.974 1.00 0.00 O ATOM 0 H SER A 37 -3.551 9.275 -1.784 1.00 0.00 H new ATOM 0 HA SER A 37 -3.053 9.363 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.264 8.971 -3.427 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.353 10.659 -2.964 1.00 0.00 H new ATOM 0 HG SER A 37 -6.466 10.232 -4.941 1.00 0.00 H new ATOM 614 N GLU A 38 -2.264 11.504 -5.253 1.00 0.00 N ATOM 615 CA GLU A 38 -1.741 12.775 -5.717 1.00 0.00 C ATOM 616 C GLU A 38 -2.811 13.870 -5.627 1.00 0.00 C ATOM 617 O GLU A 38 -2.538 15.007 -5.264 1.00 0.00 O ATOM 618 CB GLU A 38 -1.270 12.632 -7.164 1.00 0.00 C ATOM 619 CG GLU A 38 -0.635 13.916 -7.691 1.00 0.00 C ATOM 620 CD GLU A 38 -0.189 13.721 -9.141 1.00 0.00 C ATOM 621 OE1 GLU A 38 -0.834 12.955 -9.856 1.00 0.00 O ATOM 622 OE2 GLU A 38 0.800 14.334 -9.538 1.00 0.00 O ATOM 0 H GLU A 38 -2.048 10.696 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.903 13.061 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.549 11.817 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.116 12.361 -7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.349 14.737 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.220 14.189 -7.072 1.00 0.00 H new ATOM 629 N SER A 39 -4.039 13.454 -5.990 1.00 0.00 N ATOM 630 CA SER A 39 -5.108 14.433 -6.016 1.00 0.00 C ATOM 631 C SER A 39 -5.803 14.494 -4.649 1.00 0.00 C ATOM 632 O SER A 39 -5.376 15.201 -3.745 1.00 0.00 O ATOM 633 CB SER A 39 -6.097 14.087 -7.132 1.00 0.00 C ATOM 634 OG SER A 39 -5.446 14.045 -8.376 1.00 0.00 O ATOM 0 H SER A 39 -4.294 12.502 -6.253 1.00 0.00 H new ATOM 0 HA SER A 39 -4.694 15.420 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.562 13.123 -6.927 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.896 14.827 -7.159 1.00 0.00 H new ATOM 0 HG SER A 39 -6.093 13.821 -9.077 1.00 0.00 H new ATOM 640 N ALA A 40 -6.904 13.724 -4.567 1.00 0.00 N ATOM 641 CA ALA A 40 -7.681 13.778 -3.343 1.00 0.00 C ATOM 642 C ALA A 40 -6.767 13.502 -2.139 1.00 0.00 C ATOM 643 O ALA A 40 -6.011 12.539 -2.124 1.00 0.00 O ATOM 644 CB ALA A 40 -8.795 12.733 -3.399 1.00 0.00 C ATOM 0 H ALA A 40 -7.250 13.097 -5.293 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.123 14.769 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.379 12.774 -2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.444 12.938 -4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.358 11.740 -3.508 1.00 0.00 H new ATOM 650 N PRO A 41 -6.867 14.396 -1.126 1.00 0.00 N ATOM 651 CA PRO A 41 -6.060 14.280 0.087 1.00 0.00 C ATOM 652 C PRO A 41 -6.557 13.232 1.101 1.00 0.00 C ATOM 653 O PRO A 41 -5.906 12.960 2.102 1.00 0.00 O ATOM 654 CB PRO A 41 -6.214 15.653 0.736 1.00 0.00 C ATOM 655 CG PRO A 41 -7.571 16.172 0.253 1.00 0.00 C ATOM 656 CD PRO A 41 -7.747 15.557 -1.137 1.00 0.00 C ATOM 0 HA PRO A 41 -5.048 13.970 -0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.184 15.581 1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.407 16.323 0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.374 15.869 0.925 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.586 17.261 0.209 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.783 15.270 -1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.469 16.260 -1.922 1.00 0.00 H new ATOM 664 N GLY A 42 -7.735 12.666 0.784 1.00 0.00 N ATOM 665 CA GLY A 42 -8.300 11.686 1.694 1.00 0.00 C ATOM 666 C GLY A 42 -8.425 10.317 1.020 1.00 0.00 C ATOM 667 O GLY A 42 -9.406 9.604 1.188 1.00 0.00 O ATOM 0 H GLY A 42 -8.282 12.864 -0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.671 11.603 2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.281 12.020 2.030 1.00 0.00 H new ATOM 671 N ASP A 43 -7.371 10.004 0.244 1.00 0.00 N ATOM 672 CA ASP A 43 -7.391 8.724 -0.438 1.00 0.00 C ATOM 673 C ASP A 43 -6.047 8.016 -0.253 1.00 0.00 C ATOM 674 O ASP A 43 -4.993 8.517 -0.629 1.00 0.00 O ATOM 675 CB ASP A 43 -7.680 8.933 -1.924 1.00 0.00 C ATOM 676 CG ASP A 43 -9.027 9.640 -2.097 1.00 0.00 C ATOM 677 OD1 ASP A 43 -9.214 10.700 -1.502 1.00 0.00 O ATOM 678 OD2 ASP A 43 -9.873 9.122 -2.823 1.00 0.00 O ATOM 0 H ASP A 43 -6.549 10.587 0.087 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.177 8.101 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.887 9.527 -2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.694 7.973 -2.439 1.00 0.00 H new ATOM 683 N PHE A 44 -6.164 6.819 0.349 1.00 0.00 N ATOM 684 CA PHE A 44 -4.962 6.040 0.574 1.00 0.00 C ATOM 685 C PHE A 44 -5.133 4.647 -0.035 1.00 0.00 C ATOM 686 O PHE A 44 -6.124 3.962 0.184 1.00 0.00 O ATOM 687 CB PHE A 44 -4.690 5.927 2.075 1.00 0.00 C ATOM 688 CG PHE A 44 -4.531 7.279 2.704 1.00 0.00 C ATOM 689 CD1 PHE A 44 -3.239 7.916 2.742 1.00 0.00 C ATOM 690 CD2 PHE A 44 -5.670 7.952 3.276 1.00 0.00 C ATOM 691 CE1 PHE A 44 -3.086 9.213 3.346 1.00 0.00 C ATOM 692 CE2 PHE A 44 -5.519 9.248 3.881 1.00 0.00 C ATOM 693 CZ PHE A 44 -4.227 9.878 3.915 1.00 0.00 C ATOM 0 H PHE A 44 -7.036 6.398 0.669 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.116 6.536 0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.510 5.394 2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.787 5.339 2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.381 7.417 2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.641 7.481 3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.116 9.686 3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.375 9.748 4.309 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.113 10.852 4.368 1.00 0.00 H new ATOM 703 N SER A 45 -4.100 4.280 -0.815 1.00 0.00 N ATOM 704 CA SER A 45 -4.151 2.978 -1.445 1.00 0.00 C ATOM 705 C SER A 45 -2.863 2.209 -1.137 1.00 0.00 C ATOM 706 O SER A 45 -1.759 2.728 -1.239 1.00 0.00 O ATOM 707 CB SER A 45 -4.333 3.158 -2.950 1.00 0.00 C ATOM 708 OG SER A 45 -3.240 3.842 -3.509 1.00 0.00 O ATOM 0 H SER A 45 -3.270 4.840 -1.009 1.00 0.00 H new ATOM 0 HA SER A 45 -4.993 2.405 -1.056 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.440 2.184 -3.427 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.252 3.711 -3.146 1.00 0.00 H new ATOM 0 HG SER A 45 -3.561 4.475 -4.184 1.00 0.00 H new ATOM 714 N LEU A 46 -3.092 0.945 -0.736 1.00 0.00 N ATOM 715 CA LEU A 46 -1.959 0.136 -0.325 1.00 0.00 C ATOM 716 C LEU A 46 -1.465 -0.704 -1.507 1.00 0.00 C ATOM 717 O LEU A 46 -2.157 -1.576 -2.017 1.00 0.00 O ATOM 718 CB LEU A 46 -2.372 -0.765 0.843 1.00 0.00 C ATOM 719 CG LEU A 46 -1.180 -1.234 1.685 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.669 -1.943 2.947 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.244 -2.151 0.897 1.00 0.00 C ATOM 0 H LEU A 46 -4.004 0.491 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.145 0.784 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.072 -0.226 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.901 -1.635 0.455 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.612 -0.347 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.812 -2.271 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.274 -1.256 3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.270 -2.809 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.586 -2.458 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.793 -3.033 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.143 -1.617 0.029 1.00 0.00 H new ATOM 733 N SER A 47 -0.223 -0.372 -1.898 1.00 0.00 N ATOM 734 CA SER A 47 0.373 -1.075 -3.018 1.00 0.00 C ATOM 735 C SER A 47 1.379 -2.108 -2.507 1.00 0.00 C ATOM 736 O SER A 47 2.241 -1.807 -1.691 1.00 0.00 O ATOM 737 CB SER A 47 1.094 -0.064 -3.904 1.00 0.00 C ATOM 738 OG SER A 47 2.139 0.543 -3.191 1.00 0.00 O ATOM 0 H SER A 47 0.357 0.349 -1.469 1.00 0.00 H new ATOM 0 HA SER A 47 -0.405 -1.585 -3.586 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.489 -0.561 -4.790 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.391 0.694 -4.250 1.00 0.00 H new ATOM 0 HG SER A 47 1.822 0.797 -2.299 1.00 0.00 H new ATOM 744 N VAL A 48 1.223 -3.333 -3.044 1.00 0.00 N ATOM 745 CA VAL A 48 2.153 -4.373 -2.639 1.00 0.00 C ATOM 746 C VAL A 48 2.810 -5.006 -3.869 1.00 0.00 C ATOM 747 O VAL A 48 2.224 -5.100 -4.939 1.00 0.00 O ATOM 748 CB VAL A 48 1.424 -5.460 -1.849 1.00 0.00 C ATOM 749 CG1 VAL A 48 2.399 -6.557 -1.419 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.700 -4.869 -0.639 1.00 0.00 C ATOM 0 H VAL A 48 0.506 -3.605 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 48 2.919 -3.918 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 48 0.673 -5.906 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.862 -7.322 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.853 -7.007 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.178 -6.126 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.190 -5.665 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.424 -4.387 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.031 -4.134 -0.976 1.00 0.00 H new ATOM 760 N LYS A 49 4.058 -5.447 -3.627 1.00 0.00 N ATOM 761 CA LYS A 49 4.726 -6.214 -4.660 1.00 0.00 C ATOM 762 C LYS A 49 4.262 -7.669 -4.573 1.00 0.00 C ATOM 763 O LYS A 49 4.708 -8.439 -3.731 1.00 0.00 O ATOM 764 CB LYS A 49 6.242 -6.151 -4.460 1.00 0.00 C ATOM 765 CG LYS A 49 6.970 -7.166 -5.346 1.00 0.00 C ATOM 766 CD LYS A 49 6.905 -6.810 -6.832 1.00 0.00 C ATOM 767 CE LYS A 49 7.368 -7.976 -7.706 1.00 0.00 C ATOM 768 NZ LYS A 49 7.131 -7.747 -9.127 1.00 0.00 N ATOM 0 H LYS A 49 4.589 -5.291 -2.771 1.00 0.00 H new ATOM 0 HA LYS A 49 4.480 -5.800 -5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.598 -5.146 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.480 -6.344 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.014 -7.228 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.533 -8.153 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.884 -6.537 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.529 -5.938 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.432 -8.146 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.849 -8.884 -7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.432 -8.582 -9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.117 -7.578 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.674 -6.917 -9.440 1.00 0.00 H new ATOM 782 N PHE A 50 3.347 -7.993 -5.505 1.00 0.00 N ATOM 783 CA PHE A 50 2.873 -9.361 -5.541 1.00 0.00 C ATOM 784 C PHE A 50 3.412 -10.038 -6.801 1.00 0.00 C ATOM 785 O PHE A 50 3.566 -9.426 -7.850 1.00 0.00 O ATOM 786 CB PHE A 50 1.343 -9.387 -5.518 1.00 0.00 C ATOM 787 CG PHE A 50 0.820 -10.794 -5.527 1.00 0.00 C ATOM 788 CD1 PHE A 50 1.504 -11.829 -4.796 1.00 0.00 C ATOM 789 CD2 PHE A 50 -0.373 -11.117 -6.267 1.00 0.00 C ATOM 790 CE1 PHE A 50 1.001 -13.178 -4.805 1.00 0.00 C ATOM 791 CE2 PHE A 50 -0.878 -12.465 -6.278 1.00 0.00 C ATOM 792 CZ PHE A 50 -0.190 -13.494 -5.545 1.00 0.00 C ATOM 0 H PHE A 50 2.949 -7.360 -6.199 1.00 0.00 H new ATOM 0 HA PHE A 50 3.230 -9.902 -4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.982 -8.868 -4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.955 -8.847 -6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.398 -11.592 -4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.891 -10.344 -6.816 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.518 -13.951 -4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.772 -12.703 -6.836 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.569 -14.505 -5.551 1.00 0.00 H new ATOM 802 N GLY A 51 3.706 -11.335 -6.619 1.00 0.00 N ATOM 803 CA GLY A 51 4.265 -12.052 -7.746 1.00 0.00 C ATOM 804 C GLY A 51 3.492 -11.745 -9.024 1.00 0.00 C ATOM 805 O GLY A 51 2.268 -11.730 -9.064 1.00 0.00 O ATOM 0 H GLY A 51 3.574 -11.869 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.312 -11.777 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.239 -13.124 -7.549 1.00 0.00 H new ATOM 809 N ASN A 52 4.318 -11.515 -10.056 1.00 0.00 N ATOM 810 CA ASN A 52 3.790 -11.301 -11.390 1.00 0.00 C ATOM 811 C ASN A 52 3.213 -9.890 -11.534 1.00 0.00 C ATOM 812 O ASN A 52 3.299 -9.280 -12.592 1.00 0.00 O ATOM 813 CB ASN A 52 2.730 -12.352 -11.729 1.00 0.00 C ATOM 814 CG ASN A 52 2.318 -12.211 -13.196 1.00 0.00 C ATOM 815 OD1 ASN A 52 3.060 -11.710 -14.032 1.00 0.00 O ATOM 816 ND2 ASN A 52 1.081 -12.680 -13.442 1.00 0.00 N ATOM 0 H ASN A 52 5.335 -11.475 -9.985 1.00 0.00 H new ATOM 0 HA ASN A 52 4.614 -11.403 -12.096 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.123 -13.352 -11.546 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.861 -12.228 -11.083 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.696 -12.632 -14.385 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.529 -13.083 -12.685 1.00 0.00 H new ATOM 823 N ASP A 53 2.626 -9.402 -10.422 1.00 0.00 N ATOM 824 CA ASP A 53 2.030 -8.090 -10.571 1.00 0.00 C ATOM 825 C ASP A 53 1.893 -7.377 -9.223 1.00 0.00 C ATOM 826 O ASP A 53 1.777 -7.987 -8.168 1.00 0.00 O ATOM 827 CB ASP A 53 0.652 -8.210 -11.227 1.00 0.00 C ATOM 828 CG ASP A 53 0.765 -8.909 -12.582 1.00 0.00 C ATOM 829 OD1 ASP A 53 0.990 -8.224 -13.579 1.00 0.00 O ATOM 830 OD2 ASP A 53 0.621 -10.130 -12.626 1.00 0.00 O ATOM 0 H ASP A 53 2.560 -9.850 -9.508 1.00 0.00 H new ATOM 0 HA ASP A 53 2.690 -7.498 -11.205 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.020 -8.770 -10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.217 -7.219 -11.357 1.00 0.00 H new ATOM 835 N VAL A 54 1.902 -6.038 -9.350 1.00 0.00 N ATOM 836 CA VAL A 54 1.705 -5.225 -8.166 1.00 0.00 C ATOM 837 C VAL A 54 0.253 -5.368 -7.699 1.00 0.00 C ATOM 838 O VAL A 54 -0.689 -5.149 -8.450 1.00 0.00 O ATOM 839 CB VAL A 54 2.014 -3.763 -8.495 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.810 -2.866 -7.273 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.435 -3.617 -9.042 1.00 0.00 C ATOM 0 H VAL A 54 2.038 -5.527 -10.222 1.00 0.00 H new ATOM 0 HA VAL A 54 2.373 -5.555 -7.370 1.00 0.00 H new ATOM 0 HB VAL A 54 1.315 -3.441 -9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.037 -1.833 -7.538 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.775 -2.936 -6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.473 -3.189 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.632 -2.569 -9.269 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.149 -3.967 -8.297 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.538 -4.210 -9.951 1.00 0.00 H new ATOM 851 N GLN A 55 0.144 -5.754 -6.415 1.00 0.00 N ATOM 852 CA GLN A 55 -1.188 -5.970 -5.884 1.00 0.00 C ATOM 853 C GLN A 55 -1.718 -4.666 -5.286 1.00 0.00 C ATOM 854 O GLN A 55 -0.984 -3.711 -5.061 1.00 0.00 O ATOM 855 CB GLN A 55 -1.154 -7.091 -4.845 1.00 0.00 C ATOM 856 CG GLN A 55 -2.544 -7.428 -4.304 1.00 0.00 C ATOM 857 CD GLN A 55 -2.470 -8.685 -3.434 1.00 0.00 C ATOM 858 OE1 GLN A 55 -3.363 -9.523 -3.432 1.00 0.00 O ATOM 859 NE2 GLN A 55 -1.340 -8.760 -2.706 1.00 0.00 N ATOM 0 H GLN A 55 0.918 -5.912 -5.770 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.863 -6.275 -6.684 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.715 -7.983 -5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.507 -6.797 -4.018 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.930 -6.592 -3.720 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.237 -7.586 -5.130 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.644 -8.016 -2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.179 -9.560 -2.094 1.00 0.00 H new ATOM 868 N HIS A 56 -3.047 -4.683 -5.086 1.00 0.00 N ATOM 869 CA HIS A 56 -3.689 -3.424 -4.760 1.00 0.00 C ATOM 870 C HIS A 56 -4.779 -3.618 -3.702 1.00 0.00 C ATOM 871 O HIS A 56 -5.655 -4.466 -3.818 1.00 0.00 O ATOM 872 CB HIS A 56 -4.288 -2.842 -6.042 1.00 0.00 C ATOM 873 CG HIS A 56 -4.864 -1.474 -5.770 1.00 0.00 C ATOM 874 ND1 HIS A 56 -5.907 -0.950 -6.447 1.00 0.00 N ATOM 875 CD2 HIS A 56 -4.436 -0.537 -4.816 1.00 0.00 C ATOM 876 CE1 HIS A 56 -6.108 0.271 -5.921 1.00 0.00 C ATOM 877 NE2 HIS A 56 -5.235 0.546 -4.935 1.00 0.00 N ATOM 0 H HIS A 56 -3.653 -5.501 -5.141 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.951 -2.738 -4.345 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.521 -2.775 -6.814 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.066 -3.504 -6.422 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -6.434 -1.389 -7.202 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.621 -0.659 -4.118 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.879 0.951 -6.251 1.00 0.00 H new ATOM 885 N PHE A 57 -4.659 -2.757 -2.673 1.00 0.00 N ATOM 886 CA PHE A 57 -5.678 -2.751 -1.638 1.00 0.00 C ATOM 887 C PHE A 57 -6.000 -1.305 -1.255 1.00 0.00 C ATOM 888 O PHE A 57 -5.254 -0.650 -0.537 1.00 0.00 O ATOM 889 CB PHE A 57 -5.180 -3.500 -0.402 1.00 0.00 C ATOM 890 CG PHE A 57 -4.850 -4.928 -0.716 1.00 0.00 C ATOM 891 CD1 PHE A 57 -5.903 -5.905 -0.834 1.00 0.00 C ATOM 892 CD2 PHE A 57 -3.481 -5.334 -0.897 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.589 -7.278 -1.129 1.00 0.00 C ATOM 894 CE2 PHE A 57 -3.164 -6.706 -1.193 1.00 0.00 C ATOM 895 CZ PHE A 57 -4.219 -7.678 -1.308 1.00 0.00 C ATOM 0 H PHE A 57 -3.898 -2.089 -2.548 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.573 -3.245 -2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.296 -3.001 -0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.942 -3.465 0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.932 -5.605 -0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.688 -4.606 -0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.381 -8.007 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.135 -7.006 -1.329 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.982 -8.708 -1.529 1.00 0.00 H new ATOM 905 N LYS A 58 -7.156 -0.855 -1.775 1.00 0.00 N ATOM 906 CA LYS A 58 -7.518 0.522 -1.503 1.00 0.00 C ATOM 907 C LYS A 58 -7.996 0.670 -0.058 1.00 0.00 C ATOM 908 O LYS A 58 -8.965 0.057 0.371 1.00 0.00 O ATOM 909 CB LYS A 58 -8.615 0.979 -2.465 1.00 0.00 C ATOM 910 CG LYS A 58 -8.135 0.949 -3.915 1.00 0.00 C ATOM 911 CD LYS A 58 -9.140 1.590 -4.868 1.00 0.00 C ATOM 912 CE LYS A 58 -10.484 0.861 -4.861 1.00 0.00 C ATOM 913 NZ LYS A 58 -11.450 1.468 -5.768 1.00 0.00 N ATOM 0 H LYS A 58 -7.808 -1.392 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.637 1.148 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.488 0.335 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.930 1.990 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.181 1.471 -3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.959 -0.084 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.292 2.632 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.732 1.589 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.331 -0.181 -5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.889 0.862 -3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.344 0.939 -5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.619 2.455 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.077 1.444 -6.739 1.00 0.00 H new ATOM 927 N VAL A 59 -7.252 1.540 0.648 1.00 0.00 N ATOM 928 CA VAL A 59 -7.678 1.853 1.997 1.00 0.00 C ATOM 929 C VAL A 59 -8.882 2.792 1.925 1.00 0.00 C ATOM 930 O VAL A 59 -8.755 4.010 1.942 1.00 0.00 O ATOM 931 CB VAL A 59 -6.535 2.522 2.761 1.00 0.00 C ATOM 932 CG1 VAL A 59 -6.950 2.817 4.202 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.272 1.661 2.714 1.00 0.00 C ATOM 0 H VAL A 59 -6.406 2.007 0.322 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.956 0.938 2.521 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.308 3.471 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.123 3.293 4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.812 3.484 4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.211 1.885 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.473 2.157 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.476 0.691 3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.966 1.520 1.677 1.00 0.00 H new ATOM 943 N LEU A 60 -10.053 2.139 1.830 1.00 0.00 N ATOM 944 CA LEU A 60 -11.253 2.921 1.633 1.00 0.00 C ATOM 945 C LEU A 60 -11.728 3.501 2.963 1.00 0.00 C ATOM 946 O LEU A 60 -11.397 3.019 4.038 1.00 0.00 O ATOM 947 CB LEU A 60 -12.332 2.031 1.028 1.00 0.00 C ATOM 948 CG LEU A 60 -11.851 1.372 -0.267 1.00 0.00 C ATOM 949 CD1 LEU A 60 -12.938 0.483 -0.868 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.389 2.421 -1.279 1.00 0.00 C ATOM 0 H LEU A 60 -10.179 1.128 1.884 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.043 3.748 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.616 1.262 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.224 2.624 0.827 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.997 0.741 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.569 0.028 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.203 -0.299 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.819 1.085 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.053 1.925 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.218 3.089 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.567 2.998 -0.855 1.00 0.00 H new ATOM 962 N ARG A 61 -12.519 4.576 2.803 1.00 0.00 N ATOM 963 CA ARG A 61 -13.010 5.248 3.988 1.00 0.00 C ATOM 964 C ARG A 61 -14.519 5.466 3.868 1.00 0.00 C ATOM 965 O ARG A 61 -15.095 5.472 2.788 1.00 0.00 O ATOM 966 CB ARG A 61 -12.260 6.568 4.177 1.00 0.00 C ATOM 967 CG ARG A 61 -12.661 7.305 5.455 1.00 0.00 C ATOM 968 CD ARG A 61 -13.749 8.346 5.200 1.00 0.00 C ATOM 969 NE ARG A 61 -14.165 8.936 6.462 1.00 0.00 N ATOM 970 CZ ARG A 61 -15.442 9.325 6.645 1.00 0.00 C ATOM 971 NH1 ARG A 61 -16.342 9.186 5.676 1.00 0.00 N ATOM 972 NH2 ARG A 61 -15.807 9.852 7.811 1.00 0.00 N ATOM 0 H ARG A 61 -12.812 4.972 1.910 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.831 4.631 4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.188 6.371 4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.448 7.212 3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.015 6.585 6.193 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.785 7.794 5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.375 9.121 4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.602 7.882 4.705 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.486 9.056 7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.069 8.781 4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.305 9.485 5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.122 9.959 8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.772 10.149 7.957 1.00 0.00 H new ATOM 1022 N LYS A 66 -15.174 4.072 8.429 1.00 0.00 N ATOM 1023 CA LYS A 66 -13.812 4.520 8.645 1.00 0.00 C ATOM 1024 C LYS A 66 -12.897 3.839 7.625 1.00 0.00 C ATOM 1025 O LYS A 66 -13.331 3.407 6.565 1.00 0.00 O ATOM 1026 CB LYS A 66 -13.384 4.175 10.073 1.00 0.00 C ATOM 1027 CG LYS A 66 -14.278 4.844 11.119 1.00 0.00 C ATOM 1028 CD LYS A 66 -13.720 6.185 11.606 1.00 0.00 C ATOM 1029 CE LYS A 66 -13.473 7.177 10.470 1.00 0.00 C ATOM 1030 NZ LYS A 66 -12.263 6.870 9.716 1.00 0.00 N ATOM 0 HA LYS A 66 -13.744 5.600 8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.414 3.094 10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.351 4.487 10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.270 5.001 10.696 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.397 4.174 11.971 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.417 6.625 12.320 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.785 6.011 12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.329 7.173 9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.396 8.184 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.657 7.714 9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.748 6.098 10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.520 6.579 8.751 1.00 0.00 H new ATOM 1044 N TYR A 67 -11.612 3.760 8.014 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.693 3.097 7.110 1.00 0.00 C ATOM 1046 C TYR A 67 -10.888 1.584 7.211 1.00 0.00 C ATOM 1047 O TYR A 67 -10.830 0.993 8.284 1.00 0.00 O ATOM 1048 CB TYR A 67 -9.250 3.479 7.436 1.00 0.00 C ATOM 1049 CG TYR A 67 -9.055 4.963 7.351 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -8.767 5.586 6.084 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -9.157 5.778 8.535 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -8.580 7.009 6.001 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -8.970 7.202 8.455 1.00 0.00 C ATOM 1054 CZ TYR A 67 -8.681 7.817 7.186 1.00 0.00 C ATOM 1055 OH TYR A 67 -8.502 9.183 7.108 1.00 0.00 O ATOM 0 H TYR A 67 -11.219 4.121 8.883 1.00 0.00 H new ATOM 0 HA TYR A 67 -10.900 3.416 6.089 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.996 3.132 8.437 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.572 2.979 6.744 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.691 4.981 5.193 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.375 5.317 9.487 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.364 7.471 5.049 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.046 7.809 9.345 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.605 9.578 7.999 1.00 0.00 H new ATOM 1065 N PHE A 68 -11.137 1.007 6.022 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.404 -0.418 6.011 1.00 0.00 C ATOM 1067 C PHE A 68 -11.162 -1.010 4.620 1.00 0.00 C ATOM 1068 O PHE A 68 -11.395 -0.379 3.596 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.830 -0.702 6.501 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.899 -0.428 5.478 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -13.745 0.595 4.472 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -15.111 -1.208 5.508 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -14.789 0.834 3.511 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -16.156 -0.972 4.547 1.00 0.00 C ATOM 1075 CZ PHE A 68 -15.994 0.049 3.549 1.00 0.00 C ATOM 0 H PHE A 68 -11.157 1.479 5.118 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.711 -0.903 6.698 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.896 -1.746 6.808 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -13.026 -0.096 7.386 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.841 1.185 4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -15.236 -1.975 6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.668 1.602 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.061 -1.561 4.576 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.777 0.227 2.827 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.681 -2.267 4.661 1.00 0.00 N ATOM 1086 CA LEU A 69 -10.518 -2.963 3.400 1.00 0.00 C ATOM 1087 C LEU A 69 -11.895 -3.375 2.881 1.00 0.00 C ATOM 1088 O LEU A 69 -12.379 -2.896 1.862 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.660 -4.220 3.567 1.00 0.00 C ATOM 1090 CG LEU A 69 -8.255 -3.949 4.112 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -7.638 -2.694 3.495 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -8.251 -3.864 5.638 1.00 0.00 C ATOM 0 H LEU A 69 -10.417 -2.782 5.501 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.021 -2.293 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.172 -4.910 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.574 -4.719 2.602 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.635 -4.797 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.642 -2.537 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.567 -2.817 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.265 -1.831 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.237 -3.671 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.907 -3.055 5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.606 -4.806 6.056 1.00 0.00 H new ATOM 1104 N TRP A 70 -12.479 -4.305 3.659 1.00 0.00 N ATOM 1105 CA TRP A 70 -13.764 -4.846 3.260 1.00 0.00 C ATOM 1106 C TRP A 70 -14.700 -4.929 4.470 1.00 0.00 C ATOM 1107 O TRP A 70 -15.874 -4.585 4.404 1.00 0.00 O ATOM 1108 CB TRP A 70 -13.570 -6.252 2.688 1.00 0.00 C ATOM 1109 CG TRP A 70 -12.673 -6.198 1.474 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -12.665 -5.198 0.496 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -11.666 -7.157 1.097 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -11.730 -5.476 -0.449 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -11.077 -6.664 -0.145 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -11.208 -8.367 1.672 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -10.043 -7.392 -0.780 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -10.154 -9.112 1.029 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -9.571 -8.626 -0.198 1.00 0.00 C ATOM 0 H TRP A 70 -12.093 -4.676 4.527 1.00 0.00 H new ATOM 0 HA TRP A 70 -14.202 -4.192 2.506 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -13.133 -6.904 3.444 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -14.535 -6.680 2.418 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -13.309 -4.331 0.493 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -11.535 -4.896 -1.265 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -11.647 -8.731 2.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.608 -7.025 -1.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.801 -10.034 1.466 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.783 -9.185 -0.680 1.00 0.00 H new ATOM 1128 N VAL A 71 -14.099 -5.426 5.566 1.00 0.00 N ATOM 1129 CA VAL A 71 -14.907 -5.687 6.741 1.00 0.00 C ATOM 1130 C VAL A 71 -14.323 -4.973 7.960 1.00 0.00 C ATOM 1131 O VAL A 71 -14.785 -3.918 8.380 1.00 0.00 O ATOM 1132 CB VAL A 71 -14.947 -7.195 6.996 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -15.623 -7.514 8.330 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -15.638 -7.924 5.843 1.00 0.00 C ATOM 0 H VAL A 71 -13.106 -5.642 5.651 1.00 0.00 H new ATOM 0 HA VAL A 71 -15.917 -5.313 6.571 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.918 -7.551 7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -15.636 -8.593 8.482 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.070 -7.040 9.141 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.646 -7.137 8.319 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -15.654 -8.995 6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -16.660 -7.558 5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.093 -7.739 4.917 1.00 0.00 H new ATOM 1144 N VAL A 72 -13.298 -5.646 8.508 1.00 0.00 N ATOM 1145 CA VAL A 72 -12.745 -5.180 9.764 1.00 0.00 C ATOM 1146 C VAL A 72 -12.470 -3.676 9.701 1.00 0.00 C ATOM 1147 O VAL A 72 -11.928 -3.154 8.734 1.00 0.00 O ATOM 1148 CB VAL A 72 -11.473 -5.965 10.076 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -11.786 -7.460 10.133 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -10.386 -5.676 9.039 1.00 0.00 C ATOM 0 H VAL A 72 -12.859 -6.478 8.113 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.464 -5.348 10.566 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.096 -5.648 11.049 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.874 -8.014 10.356 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.525 -7.648 10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.183 -7.786 9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.490 -6.247 9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.741 -5.964 8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.151 -4.612 9.045 1.00 0.00 H new ATOM 1160 N LYS A 73 -12.901 -3.022 10.797 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.773 -1.578 10.833 1.00 0.00 C ATOM 1162 C LYS A 73 -11.573 -1.160 11.681 1.00 0.00 C ATOM 1163 O LYS A 73 -11.110 -1.865 12.570 1.00 0.00 O ATOM 1164 CB LYS A 73 -14.049 -0.950 11.392 1.00 0.00 C ATOM 1165 CG LYS A 73 -15.235 -1.183 10.460 1.00 0.00 C ATOM 1166 CD LYS A 73 -16.545 -0.671 11.060 1.00 0.00 C ATOM 1167 CE LYS A 73 -17.733 -0.918 10.128 1.00 0.00 C ATOM 1168 NZ LYS A 73 -18.988 -0.434 10.690 1.00 0.00 N ATOM 0 H LYS A 73 -13.318 -3.454 11.622 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.616 -1.224 9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.266 -1.373 12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.899 0.120 11.533 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.052 -0.683 9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.325 -2.248 10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.724 -1.164 12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.459 0.396 11.263 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.551 -0.425 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.816 -1.986 9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.763 -0.624 10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -19.177 -0.922 11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.920 0.590 10.860 1.00 0.00 H new ATOM 1182 N PHE A 74 -11.116 0.047 11.312 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.957 0.632 11.967 1.00 0.00 C ATOM 1184 C PHE A 74 -9.815 2.088 11.528 1.00 0.00 C ATOM 1185 O PHE A 74 -9.985 2.435 10.366 1.00 0.00 O ATOM 1186 CB PHE A 74 -8.657 -0.119 11.639 1.00 0.00 C ATOM 1187 CG PHE A 74 -8.510 -0.421 10.176 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -8.258 0.637 9.232 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -8.635 -1.778 9.706 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -8.145 0.344 7.834 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -8.510 -2.074 8.305 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.265 -1.009 7.368 1.00 0.00 C ATOM 0 H PHE A 74 -11.529 0.621 10.576 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.117 0.562 13.043 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.806 0.477 11.969 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.630 -1.052 12.202 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.154 1.654 9.579 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.823 -2.576 10.409 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.969 1.143 7.129 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.600 -3.092 7.956 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.171 -1.228 6.314 1.00 0.00 H new ATOM 1202 N ASN A 75 -9.485 2.905 12.541 1.00 0.00 N ATOM 1203 CA ASN A 75 -9.237 4.299 12.220 1.00 0.00 C ATOM 1204 C ASN A 75 -7.730 4.593 12.080 1.00 0.00 C ATOM 1205 O ASN A 75 -7.297 5.727 12.249 1.00 0.00 O ATOM 1206 CB ASN A 75 -9.839 5.186 13.312 1.00 0.00 C ATOM 1207 CG ASN A 75 -9.162 4.893 14.652 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -8.015 4.466 14.718 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -9.956 5.143 15.707 1.00 0.00 N ATOM 0 H ASN A 75 -9.391 2.641 13.522 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.707 4.515 11.260 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.710 6.237 13.052 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.911 5.006 13.389 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.614 4.977 16.653 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.901 5.499 15.561 1.00 0.00 H new ATOM 1216 N SER A 76 -6.957 3.532 11.766 1.00 0.00 N ATOM 1217 CA SER A 76 -5.533 3.776 11.634 1.00 0.00 C ATOM 1218 C SER A 76 -4.942 2.894 10.532 1.00 0.00 C ATOM 1219 O SER A 76 -5.177 1.694 10.468 1.00 0.00 O ATOM 1220 CB SER A 76 -4.837 3.491 12.965 1.00 0.00 C ATOM 1221 OG SER A 76 -3.459 3.752 12.870 1.00 0.00 O ATOM 0 H SER A 76 -7.275 2.575 11.612 1.00 0.00 H new ATOM 0 HA SER A 76 -5.376 4.820 11.363 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.276 4.107 13.750 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.997 2.451 13.249 1.00 0.00 H new ATOM 0 HG SER A 76 -3.031 3.565 13.731 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.157 3.572 9.675 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.476 2.809 8.647 1.00 0.00 C ATOM 1229 C LEU A 77 -2.619 1.721 9.299 1.00 0.00 C ATOM 1230 O LEU A 77 -2.605 0.571 8.878 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.590 3.730 7.808 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.397 4.767 7.027 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.462 5.719 6.280 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.357 4.087 6.052 1.00 0.00 C ATOM 0 H LEU A 77 -3.992 4.579 9.677 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.219 2.346 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.882 4.241 8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.005 3.130 7.111 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.987 5.345 7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.052 6.451 5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.820 6.234 6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.846 5.151 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.920 4.845 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.790 3.480 5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.047 3.450 6.605 1.00 0.00 H new ATOM 1246 N ASN A 78 -1.913 2.156 10.357 1.00 0.00 N ATOM 1247 CA ASN A 78 -1.105 1.188 11.072 1.00 0.00 C ATOM 1248 C ASN A 78 -1.958 -0.029 11.437 1.00 0.00 C ATOM 1249 O ASN A 78 -1.560 -1.174 11.263 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.553 1.828 12.345 1.00 0.00 C ATOM 1251 CG ASN A 78 0.297 3.050 11.992 1.00 0.00 C ATOM 1252 OD1 ASN A 78 1.439 2.942 11.561 1.00 0.00 O ATOM 1253 ND2 ASN A 78 -0.340 4.214 12.211 1.00 0.00 N ATOM 0 H ASN A 78 -1.890 3.113 10.710 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.278 0.868 10.438 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.374 2.123 12.999 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.048 1.104 12.895 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.131 5.098 12.015 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.294 4.213 12.573 1.00 0.00 H new ATOM 1260 N GLU A 79 -3.157 0.304 11.950 1.00 0.00 N ATOM 1261 CA GLU A 79 -4.074 -0.761 12.317 1.00 0.00 C ATOM 1262 C GLU A 79 -4.392 -1.644 11.101 1.00 0.00 C ATOM 1263 O GLU A 79 -4.507 -2.859 11.206 1.00 0.00 O ATOM 1264 CB GLU A 79 -5.358 -0.152 12.879 1.00 0.00 C ATOM 1265 CG GLU A 79 -6.337 -1.226 13.354 1.00 0.00 C ATOM 1266 CD GLU A 79 -5.696 -2.052 14.471 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -5.010 -1.472 15.310 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -5.885 -3.267 14.485 1.00 0.00 O ATOM 0 H GLU A 79 -3.491 1.254 12.109 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.607 -1.387 13.077 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.113 0.509 13.710 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.834 0.461 12.114 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.255 -0.761 13.714 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.612 -1.874 12.522 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.518 -0.959 9.948 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.783 -1.704 8.730 1.00 0.00 C ATOM 1277 C LEU A 80 -3.636 -2.689 8.478 1.00 0.00 C ATOM 1278 O LEU A 80 -3.840 -3.857 8.169 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.916 -0.721 7.561 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.371 -1.357 6.240 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.911 -0.267 5.314 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.242 -2.120 5.549 1.00 0.00 C ATOM 0 H LEU A 80 -4.444 0.053 9.846 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.711 -2.267 8.827 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.626 0.058 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.954 -0.234 7.402 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.155 -2.079 6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.235 -0.715 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.757 0.229 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.127 0.464 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.611 -2.552 4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.421 -1.437 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.887 -2.916 6.204 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.423 -2.126 8.629 1.00 0.00 N ATOM 1295 CA VAL A 81 -1.230 -2.913 8.378 1.00 0.00 C ATOM 1296 C VAL A 81 -1.091 -4.057 9.394 1.00 0.00 C ATOM 1297 O VAL A 81 -0.626 -5.143 9.071 1.00 0.00 O ATOM 1298 CB VAL A 81 -0.012 -1.990 8.453 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.288 -2.763 8.223 1.00 0.00 C ATOM 1300 CG2 VAL A 81 -0.142 -0.842 7.452 1.00 0.00 C ATOM 0 H VAL A 81 -2.258 -1.161 8.914 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.302 -3.363 7.388 1.00 0.00 H new ATOM 0 HB VAL A 81 0.025 -1.569 9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.134 -2.078 8.283 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.392 -3.535 8.985 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.266 -3.227 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.734 -0.198 7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.216 -1.246 6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.037 -0.263 7.677 1.00 0.00 H new ATOM 1310 N ASP A 82 -1.515 -3.746 10.634 1.00 0.00 N ATOM 1311 CA ASP A 82 -1.359 -4.738 11.682 1.00 0.00 C ATOM 1312 C ASP A 82 -2.100 -6.025 11.312 1.00 0.00 C ATOM 1313 O ASP A 82 -1.600 -7.129 11.490 1.00 0.00 O ATOM 1314 CB ASP A 82 -1.897 -4.183 13.001 1.00 0.00 C ATOM 1315 CG ASP A 82 -1.704 -5.213 14.116 1.00 0.00 C ATOM 1316 OD1 ASP A 82 -0.718 -5.946 14.073 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -2.546 -5.274 15.011 1.00 0.00 O ATOM 0 H ASP A 82 -1.943 -2.863 10.913 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.300 -4.969 11.795 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.379 -3.258 13.255 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.954 -3.939 12.899 1.00 0.00 H new ATOM 1322 N TYR A 83 -3.318 -5.809 10.785 1.00 0.00 N ATOM 1323 CA TYR A 83 -4.100 -6.967 10.397 1.00 0.00 C ATOM 1324 C TYR A 83 -3.404 -7.714 9.254 1.00 0.00 C ATOM 1325 O TYR A 83 -3.320 -8.936 9.244 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.496 -6.518 9.970 1.00 0.00 C ATOM 1327 CG TYR A 83 -6.274 -5.986 11.136 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -6.421 -6.782 12.329 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -6.880 -4.681 11.076 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -7.169 -6.280 13.450 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -7.628 -4.175 12.196 1.00 0.00 C ATOM 1332 CZ TYR A 83 -7.773 -4.975 13.383 1.00 0.00 C ATOM 1333 OH TYR A 83 -8.492 -4.492 14.457 1.00 0.00 O ATOM 0 H TYR A 83 -3.751 -4.899 10.630 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.189 -7.645 11.246 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.415 -5.749 9.202 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.031 -7.357 9.525 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.967 -7.761 12.381 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.772 -4.079 10.186 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.277 -6.881 14.341 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.080 -3.196 12.146 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.936 -3.869 14.970 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.904 -6.902 8.306 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.193 -7.513 7.197 1.00 0.00 C ATOM 1345 C HIS A 84 -0.749 -7.876 7.588 1.00 0.00 C ATOM 1346 O HIS A 84 0.150 -7.868 6.754 1.00 0.00 O ATOM 1347 CB HIS A 84 -2.154 -6.542 6.019 1.00 0.00 C ATOM 1348 CG HIS A 84 -3.553 -6.201 5.567 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -3.873 -5.045 4.950 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -4.717 -6.975 5.695 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -5.192 -5.112 4.709 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -5.730 -6.265 5.147 1.00 0.00 N ATOM 0 H HIS A 84 -2.977 -5.885 8.290 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.721 -8.427 6.923 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.627 -5.632 6.307 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.597 -6.985 5.194 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.790 -7.954 6.146 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.756 -4.331 4.220 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.708 -6.548 5.079 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.572 -8.187 8.887 1.00 0.00 N ATOM 1361 CA ARG A 85 0.772 -8.505 9.334 1.00 0.00 C ATOM 1362 C ARG A 85 0.874 -9.981 9.745 1.00 0.00 C ATOM 1363 O ARG A 85 1.871 -10.646 9.491 1.00 0.00 O ATOM 1364 CB ARG A 85 1.147 -7.603 10.511 1.00 0.00 C ATOM 1365 CG ARG A 85 2.580 -7.846 10.985 1.00 0.00 C ATOM 1366 CD ARG A 85 2.957 -6.927 12.147 1.00 0.00 C ATOM 1367 NE ARG A 85 4.327 -7.176 12.557 1.00 0.00 N ATOM 1368 CZ ARG A 85 4.571 -8.170 13.431 1.00 0.00 C ATOM 1369 NH1 ARG A 85 3.570 -8.906 13.908 1.00 0.00 N ATOM 1370 NH2 ARG A 85 5.818 -8.418 13.819 1.00 0.00 N ATOM 0 H ARG A 85 -1.302 -8.221 9.598 1.00 0.00 H new ATOM 0 HA ARG A 85 1.465 -8.333 8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.034 -6.559 10.218 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.457 -7.779 11.337 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.689 -8.886 11.294 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.269 -7.685 10.156 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.842 -5.885 11.848 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.282 -7.094 12.986 1.00 0.00 H new ATOM 0 HE ARG A 85 5.091 -6.608 12.190 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.612 -8.718 13.611 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.760 -9.658 14.570 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.587 -7.856 13.454 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.006 -9.171 14.481 1.00 0.00 H new ATOM 1384 N SER A 86 -0.212 -10.444 10.390 1.00 0.00 N ATOM 1385 CA SER A 86 -0.197 -11.821 10.846 1.00 0.00 C ATOM 1386 C SER A 86 -0.967 -12.722 9.873 1.00 0.00 C ATOM 1387 O SER A 86 -0.566 -13.843 9.585 1.00 0.00 O ATOM 1388 CB SER A 86 -0.816 -11.907 12.241 1.00 0.00 C ATOM 1389 OG SER A 86 -2.155 -11.483 12.217 1.00 0.00 O ATOM 0 H SER A 86 -1.058 -9.912 10.593 1.00 0.00 H new ATOM 0 HA SER A 86 0.836 -12.165 10.887 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.761 -12.932 12.606 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.246 -11.290 12.936 1.00 0.00 H new ATOM 0 HG SER A 86 -2.535 -11.547 13.118 1.00 0.00 H new ATOM 1395 N THR A 87 -2.094 -12.164 9.390 1.00 0.00 N ATOM 1396 CA THR A 87 -2.912 -12.961 8.494 1.00 0.00 C ATOM 1397 C THR A 87 -2.775 -12.470 7.047 1.00 0.00 C ATOM 1398 O THR A 87 -3.738 -12.427 6.292 1.00 0.00 O ATOM 1399 CB THR A 87 -4.374 -12.893 8.936 1.00 0.00 C ATOM 1400 OG1 THR A 87 -5.152 -13.713 8.102 1.00 0.00 O ATOM 1401 CG2 THR A 87 -4.913 -11.463 8.890 1.00 0.00 C ATOM 0 H THR A 87 -2.433 -11.224 9.595 1.00 0.00 H new ATOM 0 HA THR A 87 -2.569 -13.995 8.536 1.00 0.00 H new ATOM 0 HB THR A 87 -4.430 -13.240 9.968 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.979 -13.485 7.165 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.955 -11.456 9.211 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.324 -10.831 9.555 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.845 -11.081 7.871 1.00 0.00 H new ATOM 1409 N SER A 88 -1.522 -12.106 6.713 1.00 0.00 N ATOM 1410 CA SER A 88 -1.274 -11.669 5.353 1.00 0.00 C ATOM 1411 C SER A 88 -2.375 -10.701 4.909 1.00 0.00 C ATOM 1412 O SER A 88 -3.192 -10.247 5.700 1.00 0.00 O ATOM 1413 CB SER A 88 -1.235 -12.887 4.428 1.00 0.00 C ATOM 1414 OG SER A 88 -0.977 -12.504 3.101 1.00 0.00 O ATOM 0 H SER A 88 -0.715 -12.108 7.337 1.00 0.00 H new ATOM 0 HA SER A 88 -0.315 -11.153 5.305 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.465 -13.580 4.766 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.186 -13.417 4.479 1.00 0.00 H new ATOM 0 HG SER A 88 -1.174 -13.253 2.500 1.00 0.00 H new ATOM 1420 N VAL A 89 -2.343 -10.429 3.590 1.00 0.00 N ATOM 1421 CA VAL A 89 -3.373 -9.556 3.051 1.00 0.00 C ATOM 1422 C VAL A 89 -4.221 -10.307 2.014 1.00 0.00 C ATOM 1423 O VAL A 89 -5.436 -10.164 1.956 1.00 0.00 O ATOM 1424 CB VAL A 89 -2.733 -8.316 2.424 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -1.809 -8.695 1.266 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -3.806 -7.330 1.963 1.00 0.00 C ATOM 0 H VAL A 89 -1.656 -10.781 2.923 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.027 -9.239 3.864 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.126 -7.830 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.369 -7.793 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.016 -9.347 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.382 -9.215 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.330 -6.455 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.446 -7.809 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.408 -7.022 2.818 1.00 0.00 H new ATOM 1436 N SER A 90 -3.506 -11.119 1.213 1.00 0.00 N ATOM 1437 CA SER A 90 -4.213 -11.912 0.221 1.00 0.00 C ATOM 1438 C SER A 90 -4.218 -13.416 0.573 1.00 0.00 C ATOM 1439 O SER A 90 -5.088 -14.159 0.137 1.00 0.00 O ATOM 1440 CB SER A 90 -3.572 -11.708 -1.150 1.00 0.00 C ATOM 1441 OG SER A 90 -4.294 -12.394 -2.140 1.00 0.00 O ATOM 0 H SER A 90 -2.493 -11.234 1.236 1.00 0.00 H new ATOM 0 HA SER A 90 -5.249 -11.574 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.539 -10.645 -1.387 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.542 -12.063 -1.132 1.00 0.00 H new ATOM 0 HG SER A 90 -3.870 -12.251 -3.012 1.00 0.00 H new ATOM 1502 N GLN A 94 0.880 -16.270 1.203 1.00 0.00 N ATOM 1503 CA GLN A 94 1.380 -15.646 2.413 1.00 0.00 C ATOM 1504 C GLN A 94 2.088 -14.336 2.057 1.00 0.00 C ATOM 1505 O GLN A 94 3.146 -14.320 1.440 1.00 0.00 O ATOM 1506 CB GLN A 94 2.346 -16.596 3.120 1.00 0.00 C ATOM 1507 CG GLN A 94 2.882 -16.001 4.423 1.00 0.00 C ATOM 1508 CD GLN A 94 3.836 -16.992 5.092 1.00 0.00 C ATOM 1509 OE1 GLN A 94 3.548 -17.565 6.136 1.00 0.00 O ATOM 1510 NE2 GLN A 94 4.990 -17.147 4.418 1.00 0.00 N ATOM 0 HA GLN A 94 0.548 -15.428 3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.839 -17.537 3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.180 -16.826 2.456 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.401 -15.064 4.219 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.055 -15.768 5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.149 -16.630 3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.706 -17.782 4.771 1.00 0.00 H new ATOM 1519 N ILE A 95 1.429 -13.247 2.489 1.00 0.00 N ATOM 1520 CA ILE A 95 1.990 -11.944 2.187 1.00 0.00 C ATOM 1521 C ILE A 95 2.371 -11.219 3.479 1.00 0.00 C ATOM 1522 O ILE A 95 1.643 -11.219 4.464 1.00 0.00 O ATOM 1523 CB ILE A 95 0.980 -11.105 1.403 1.00 0.00 C ATOM 1524 CG1 ILE A 95 0.566 -11.821 0.118 1.00 0.00 C ATOM 1525 CG2 ILE A 95 1.558 -9.725 1.092 1.00 0.00 C ATOM 1526 CD1 ILE A 95 -0.422 -10.997 -0.708 1.00 0.00 C ATOM 0 H ILE A 95 0.557 -13.248 3.018 1.00 0.00 H new ATOM 0 HA ILE A 95 2.885 -12.083 1.581 1.00 0.00 H new ATOM 0 HB ILE A 95 0.091 -10.973 2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.452 -12.030 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.116 -12.782 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.826 -9.141 0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.797 -9.212 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.464 -9.836 0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.687 -11.546 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.320 -10.810 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.037 -10.047 -0.982 1.00 0.00 H new ATOM 1538 N PHE A 96 3.561 -10.598 3.395 1.00 0.00 N ATOM 1539 CA PHE A 96 4.012 -9.808 4.524 1.00 0.00 C ATOM 1540 C PHE A 96 4.248 -8.367 4.065 1.00 0.00 C ATOM 1541 O PHE A 96 4.861 -8.111 3.036 1.00 0.00 O ATOM 1542 CB PHE A 96 5.302 -10.399 5.093 1.00 0.00 C ATOM 1543 CG PHE A 96 5.103 -11.807 5.570 1.00 0.00 C ATOM 1544 CD1 PHE A 96 3.882 -12.186 6.236 1.00 0.00 C ATOM 1545 CD2 PHE A 96 6.134 -12.791 5.367 1.00 0.00 C ATOM 1546 CE1 PHE A 96 3.696 -13.537 6.695 1.00 0.00 C ATOM 1547 CE2 PHE A 96 5.951 -14.143 5.825 1.00 0.00 C ATOM 1548 CZ PHE A 96 4.731 -14.515 6.490 1.00 0.00 C ATOM 0 H PHE A 96 4.192 -10.630 2.594 1.00 0.00 H new ATOM 0 HA PHE A 96 3.252 -9.819 5.305 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.079 -10.380 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.652 -9.781 5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 96 3.104 -11.453 6.391 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.050 -12.513 4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 96 2.780 -13.817 7.193 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.728 -14.877 5.670 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.592 -15.529 6.835 1.00 0.00 H new ATOM 1558 N LEU A 97 3.712 -7.451 4.891 1.00 0.00 N ATOM 1559 CA LEU A 97 3.853 -6.055 4.527 1.00 0.00 C ATOM 1560 C LEU A 97 5.143 -5.492 5.127 1.00 0.00 C ATOM 1561 O LEU A 97 5.250 -5.237 6.320 1.00 0.00 O ATOM 1562 CB LEU A 97 2.645 -5.262 5.026 1.00 0.00 C ATOM 1563 CG LEU A 97 1.331 -5.753 4.422 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.176 -4.886 4.918 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.388 -5.741 2.894 1.00 0.00 C ATOM 0 H LEU A 97 3.211 -7.645 5.758 1.00 0.00 H new ATOM 0 HA LEU A 97 3.903 -5.969 3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.591 -5.334 6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.781 -4.208 4.783 1.00 0.00 H new ATOM 0 HG LEU A 97 1.169 -6.782 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.758 -5.241 4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.117 -4.946 6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.344 -3.851 4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.439 -6.095 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.573 -4.725 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.192 -6.394 2.555 1.00 0.00 H new ATOM 1577 N ARG A 98 6.104 -5.318 4.202 1.00 0.00 N ATOM 1578 CA ARG A 98 7.406 -4.814 4.598 1.00 0.00 C ATOM 1579 C ARG A 98 8.291 -4.774 3.345 1.00 0.00 C ATOM 1580 O ARG A 98 7.820 -4.481 2.252 1.00 0.00 O ATOM 1581 CB ARG A 98 7.983 -5.726 5.688 1.00 0.00 C ATOM 1582 CG ARG A 98 8.788 -4.953 6.738 1.00 0.00 C ATOM 1583 CD ARG A 98 10.065 -4.328 6.177 1.00 0.00 C ATOM 1584 NE ARG A 98 10.750 -3.594 7.225 1.00 0.00 N ATOM 1585 CZ ARG A 98 11.967 -3.080 6.970 1.00 0.00 C ATOM 1586 NH1 ARG A 98 12.532 -3.258 5.778 1.00 0.00 N ATOM 1587 NH2 ARG A 98 12.608 -2.395 7.911 1.00 0.00 N ATOM 0 H ARG A 98 5.998 -5.516 3.207 1.00 0.00 H new ATOM 0 HA ARG A 98 7.345 -3.808 5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.169 -6.259 6.179 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.623 -6.478 5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.162 -4.167 7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.049 -5.626 7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.717 -5.105 5.778 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.822 -3.660 5.351 1.00 0.00 H new ATOM 0 HE ARG A 98 10.316 -3.470 8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.042 -3.785 5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.455 -2.867 5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.177 -2.259 8.826 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.531 -2.005 7.719 1.00 0.00 H new ATOM 1601 N ASP A 99 9.571 -5.124 3.574 1.00 0.00 N ATOM 1602 CA ASP A 99 10.469 -5.412 2.470 1.00 0.00 C ATOM 1603 C ASP A 99 10.834 -4.168 1.651 1.00 0.00 C ATOM 1604 O ASP A 99 11.892 -4.108 1.035 1.00 0.00 O ATOM 1605 CB ASP A 99 9.823 -6.460 1.569 1.00 0.00 C ATOM 1606 CG ASP A 99 9.495 -7.711 2.385 1.00 0.00 C ATOM 1607 OD1 ASP A 99 10.418 -8.449 2.724 1.00 0.00 O ATOM 1608 OD2 ASP A 99 8.319 -7.937 2.670 1.00 0.00 O ATOM 0 H ASP A 99 9.989 -5.210 4.501 1.00 0.00 H new ATOM 0 HA ASP A 99 11.401 -5.786 2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.914 -6.058 1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.496 -6.714 0.750 1.00 0.00 H new ATOM 1613 N ILE A 100 9.912 -3.190 1.659 1.00 0.00 N ATOM 1614 CA ILE A 100 10.139 -2.075 0.761 1.00 0.00 C ATOM 1615 C ILE A 100 11.241 -1.135 1.273 1.00 0.00 C ATOM 1616 O ILE A 100 11.219 0.063 1.023 1.00 0.00 O ATOM 1617 CB ILE A 100 8.835 -1.308 0.562 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.927 -0.411 -0.668 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.502 -0.492 1.807 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.607 0.291 -0.962 1.00 0.00 C ATOM 0 H ILE A 100 9.070 -3.154 2.233 1.00 0.00 H new ATOM 0 HA ILE A 100 10.480 -2.476 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 100 8.030 -2.025 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.708 0.334 -0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 100 9.220 -1.008 -1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.569 0.049 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.394 -1.160 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.305 0.219 2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.718 0.919 -1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.831 -0.453 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.326 0.910 -0.110 1.00 0.00 H new ATOM 1632 N GLU A 101 12.198 -1.742 2.001 1.00 0.00 N ATOM 1633 CA GLU A 101 13.272 -0.933 2.528 1.00 0.00 C ATOM 1634 C GLU A 101 14.544 -1.777 2.638 1.00 0.00 C ATOM 1635 O GLU A 101 14.644 -2.693 3.445 1.00 0.00 O ATOM 1636 CB GLU A 101 12.860 -0.410 3.899 1.00 0.00 C ATOM 1637 CG GLU A 101 14.024 0.287 4.590 1.00 0.00 C ATOM 1638 CD GLU A 101 13.608 0.755 5.985 1.00 0.00 C ATOM 1639 OE1 GLU A 101 12.466 1.185 6.143 1.00 0.00 O ATOM 1640 OE2 GLU A 101 14.427 0.679 6.900 1.00 0.00 O ATOM 0 H GLU A 101 12.238 -2.737 2.220 1.00 0.00 H new ATOM 0 HA GLU A 101 13.472 -0.092 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.027 0.285 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.508 -1.236 4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.872 -0.394 4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.351 1.140 3.995 1.00 0.00 H new