USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 740 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 103 SER OG : rot -80:sc= 0.957 USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.243 X(o=0.71,f=1.2) USER MOD Single : A 16 CYS SG : rot -15:sc= 0.702 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 19 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.96) USER MOD Single : A 20 THR OG1 : rot -69:sc= 0.452 USER MOD Single : A 23 TYR OH : rot 30:sc= -2.27 USER MOD Single : A 27 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-4.1!) USER MOD Single : A 29 SER OG : rot -81:sc= 0.549 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 130:sc= 0 USER MOD Single : A 42 CYS SG : rot 51:sc= -7.18! USER MOD Single : A 46 TYR OH : rot 90:sc= 1.33 USER MOD Single : A 49 GLN : amide:sc= -10.1! C(o=-10!,f=-9.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.1) USER MOD Single : A 67 THR OG1 : rot -110:sc= -1.43 USER MOD Single : A 72 LYS NZ :NH3+ 132:sc= -1.03 (180deg=-1.2) USER MOD Single : A 76 ASN : amide:sc= -1.89 X(o=-1.9,f=-1.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -4.15! C(o=-4.1!,f=-14!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 15:sc= -1.36 USER MOD Single : A 106 HIS : no HD1:sc= -3.41! K(o=-3.4!,f=-2.8) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -157:sc= -0.0558 (180deg=-0.357) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -0.717 -13.733 -3.557 1.00 0.00 N ATOM 113 CA GLU A 11 0.648 -13.255 -3.740 1.00 0.00 C ATOM 114 C GLU A 11 0.747 -11.762 -3.445 1.00 0.00 C ATOM 115 O GLU A 11 1.797 -11.266 -3.035 1.00 0.00 O ATOM 116 CB GLU A 11 1.124 -13.538 -5.166 1.00 0.00 C ATOM 117 CG GLU A 11 0.489 -12.634 -6.210 1.00 0.00 C ATOM 118 CD GLU A 11 -0.934 -13.036 -6.541 1.00 0.00 C ATOM 119 OE1 GLU A 11 -1.115 -13.987 -7.329 1.00 0.00 O ATOM 120 OE2 GLU A 11 -1.869 -12.399 -6.011 1.00 0.00 O ATOM 0 HA GLU A 11 1.289 -13.788 -3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.207 -13.423 -5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.904 -14.576 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.497 -11.606 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.090 -12.657 -7.119 1.00 0.00 H new ATOM 127 N LEU A 12 -0.354 -11.050 -3.657 1.00 0.00 N ATOM 128 CA LEU A 12 -0.395 -9.611 -3.415 1.00 0.00 C ATOM 129 C LEU A 12 -0.506 -9.314 -1.923 1.00 0.00 C ATOM 130 O LEU A 12 0.287 -8.551 -1.370 1.00 0.00 O ATOM 131 CB LEU A 12 -1.570 -8.981 -4.162 1.00 0.00 C ATOM 132 CG LEU A 12 -1.890 -7.529 -3.806 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.841 -6.592 -4.386 1.00 0.00 C ATOM 134 CD2 LEU A 12 -3.278 -7.152 -4.304 1.00 0.00 C ATOM 0 H LEU A 12 -1.231 -11.445 -3.996 1.00 0.00 H new ATOM 0 HA LEU A 12 0.535 -9.178 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.366 -9.036 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.459 -9.584 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.875 -7.430 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.086 -5.563 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.138 -6.847 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.823 -6.693 -5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.489 -6.115 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.320 -7.268 -5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.020 -7.802 -3.840 1.00 0.00 H new ATOM 146 N LEU A 13 -1.495 -9.921 -1.276 1.00 0.00 N ATOM 147 CA LEU A 13 -1.710 -9.723 0.153 1.00 0.00 C ATOM 148 C LEU A 13 -0.449 -10.056 0.944 1.00 0.00 C ATOM 149 O LEU A 13 0.091 -9.208 1.656 1.00 0.00 O ATOM 150 CB LEU A 13 -2.874 -10.589 0.638 1.00 0.00 C ATOM 151 CG LEU A 13 -3.036 -10.706 2.154 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.557 -9.402 2.738 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.967 -11.859 2.503 1.00 0.00 C ATOM 0 H LEU A 13 -2.161 -10.554 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.953 -8.673 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.798 -10.186 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.751 -11.591 0.227 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.058 -10.910 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.666 -9.505 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.854 -8.599 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.525 -9.167 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.071 -11.928 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.945 -11.685 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.552 -12.791 2.118 1.00 0.00 H new ATOM 165 N ARG A 14 0.016 -11.293 0.814 1.00 0.00 N ATOM 166 CA ARG A 14 1.214 -11.737 1.516 1.00 0.00 C ATOM 167 C ARG A 14 2.365 -10.759 1.300 1.00 0.00 C ATOM 168 O ARG A 14 2.967 -10.272 2.257 1.00 0.00 O ATOM 169 CB ARG A 14 1.621 -13.133 1.042 1.00 0.00 C ATOM 170 CG ARG A 14 0.852 -14.256 1.721 1.00 0.00 C ATOM 171 CD ARG A 14 1.269 -15.617 1.189 1.00 0.00 C ATOM 172 NE ARG A 14 1.001 -15.753 -0.241 1.00 0.00 N ATOM 173 CZ ARG A 14 1.519 -16.713 -0.998 1.00 0.00 C ATOM 174 NH1 ARG A 14 2.330 -17.618 -0.465 1.00 0.00 N ATOM 175 NH2 ARG A 14 1.227 -16.770 -2.291 1.00 0.00 N ATOM 0 H ARG A 14 -0.419 -12.006 0.229 1.00 0.00 H new ATOM 0 HA ARG A 14 0.987 -11.774 2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.469 -13.200 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.687 -13.273 1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.023 -14.217 2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.217 -14.114 1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.332 -15.768 1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.737 -16.397 1.733 1.00 0.00 H new ATOM 0 HE ARG A 14 0.382 -15.073 -0.682 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.557 -17.577 0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.726 -18.354 -1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.604 -16.076 -2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.625 -17.508 -2.872 1.00 0.00 H new ATOM 189 N TRP A 15 2.666 -10.478 0.037 1.00 0.00 N ATOM 190 CA TRP A 15 3.745 -9.558 -0.304 1.00 0.00 C ATOM 191 C TRP A 15 3.629 -8.262 0.491 1.00 0.00 C ATOM 192 O TRP A 15 4.595 -7.814 1.108 1.00 0.00 O ATOM 193 CB TRP A 15 3.728 -9.254 -1.804 1.00 0.00 C ATOM 194 CG TRP A 15 4.745 -8.232 -2.214 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.092 -8.418 -2.333 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.494 -6.864 -2.557 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.695 -7.248 -2.730 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.736 -6.281 -2.875 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.343 -6.077 -2.629 1.00 0.00 C ATOM 200 CZ2 TRP A 15 5.856 -4.947 -3.256 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.463 -4.753 -3.008 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.712 -4.199 -3.318 1.00 0.00 C ATOM 0 H TRP A 15 2.179 -10.874 -0.767 1.00 0.00 H new ATOM 0 HA TRP A 15 4.691 -10.036 -0.047 1.00 0.00 H new ATOM 0 HB2 TRP A 15 3.907 -10.176 -2.357 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.736 -8.902 -2.085 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.608 -9.348 -2.143 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.694 -7.121 -2.890 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.376 -6.495 -2.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.818 -4.518 -3.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.579 -4.135 -3.066 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.773 -3.161 -3.612 1.00 0.00 H new ATOM 213 N CYS A 16 2.442 -7.666 0.471 1.00 0.00 N ATOM 214 CA CYS A 16 2.201 -6.420 1.191 1.00 0.00 C ATOM 215 C CYS A 16 2.406 -6.611 2.691 1.00 0.00 C ATOM 216 O CYS A 16 3.004 -5.766 3.356 1.00 0.00 O ATOM 217 CB CYS A 16 0.783 -5.916 0.918 1.00 0.00 C ATOM 218 SG CYS A 16 0.507 -5.375 -0.785 1.00 0.00 S ATOM 0 H CYS A 16 1.632 -8.025 -0.035 1.00 0.00 H new ATOM 0 HA CYS A 16 2.917 -5.679 0.836 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.075 -6.710 1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.568 -5.086 1.591 1.00 0.00 H new ATOM 0 HG CYS A 16 1.652 -5.216 -1.381 1.00 0.00 H new ATOM 224 N GLN A 17 1.904 -7.723 3.214 1.00 0.00 N ATOM 225 CA GLN A 17 2.031 -8.023 4.636 1.00 0.00 C ATOM 226 C GLN A 17 3.486 -7.939 5.083 1.00 0.00 C ATOM 227 O GLN A 17 3.793 -7.357 6.123 1.00 0.00 O ATOM 228 CB GLN A 17 1.472 -9.414 4.938 1.00 0.00 C ATOM 229 CG GLN A 17 -0.046 -9.486 4.880 1.00 0.00 C ATOM 230 CD GLN A 17 -0.573 -10.888 5.116 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.171 -11.867 5.029 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.861 -10.993 5.416 1.00 0.00 N ATOM 0 H GLN A 17 1.405 -8.432 2.676 1.00 0.00 H new ATOM 0 HA GLN A 17 1.457 -7.280 5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.889 -10.126 4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.804 -9.723 5.929 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.467 -8.813 5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.386 -9.133 3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.440 -10.156 5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.272 -11.911 5.585 1.00 0.00 H new ATOM 241 N GLU A 18 4.379 -8.522 4.289 1.00 0.00 N ATOM 242 CA GLU A 18 5.802 -8.514 4.604 1.00 0.00 C ATOM 243 C GLU A 18 6.363 -7.096 4.551 1.00 0.00 C ATOM 244 O GLU A 18 7.181 -6.709 5.385 1.00 0.00 O ATOM 245 CB GLU A 18 6.568 -9.414 3.632 1.00 0.00 C ATOM 246 CG GLU A 18 6.312 -10.897 3.845 1.00 0.00 C ATOM 247 CD GLU A 18 7.028 -11.444 5.064 1.00 0.00 C ATOM 248 OE1 GLU A 18 8.200 -11.072 5.281 1.00 0.00 O ATOM 249 OE2 GLU A 18 6.415 -12.243 5.801 1.00 0.00 O ATOM 0 H GLU A 18 4.142 -9.006 3.423 1.00 0.00 H new ATOM 0 HA GLU A 18 5.926 -8.898 5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.293 -9.149 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.636 -9.220 3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.240 -11.065 3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.634 -11.448 2.961 1.00 0.00 H new ATOM 256 N GLN A 19 5.917 -6.327 3.563 1.00 0.00 N ATOM 257 CA GLN A 19 6.375 -4.951 3.399 1.00 0.00 C ATOM 258 C GLN A 19 5.918 -4.083 4.567 1.00 0.00 C ATOM 259 O GLN A 19 6.736 -3.484 5.267 1.00 0.00 O ATOM 260 CB GLN A 19 5.854 -4.372 2.083 1.00 0.00 C ATOM 261 CG GLN A 19 6.467 -5.015 0.850 1.00 0.00 C ATOM 262 CD GLN A 19 7.942 -5.315 1.020 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.717 -4.459 1.450 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.341 -6.536 0.683 1.00 0.00 N ATOM 0 H GLN A 19 5.240 -6.632 2.864 1.00 0.00 H new ATOM 0 HA GLN A 19 7.465 -4.957 3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.771 -4.494 2.046 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.055 -3.301 2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.936 -5.940 0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.331 -4.353 -0.006 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.665 -7.214 0.331 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.323 -6.796 0.776 1.00 0.00 H new ATOM 273 N THR A 20 4.606 -4.018 4.773 1.00 0.00 N ATOM 274 CA THR A 20 4.041 -3.222 5.855 1.00 0.00 C ATOM 275 C THR A 20 4.552 -3.696 7.211 1.00 0.00 C ATOM 276 O THR A 20 4.880 -2.886 8.078 1.00 0.00 O ATOM 277 CB THR A 20 2.501 -3.281 5.851 1.00 0.00 C ATOM 278 OG1 THR A 20 2.063 -4.640 5.963 1.00 0.00 O ATOM 279 CG2 THR A 20 1.940 -2.666 4.578 1.00 0.00 C ATOM 0 H THR A 20 3.915 -4.507 4.204 1.00 0.00 H new ATOM 0 HA THR A 20 4.359 -2.193 5.689 1.00 0.00 H new ATOM 0 HB THR A 20 2.135 -2.710 6.704 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.285 -5.124 5.140 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.851 -2.719 4.597 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.252 -1.624 4.510 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.314 -3.214 3.713 1.00 0.00 H new ATOM 287 N ALA A 21 4.617 -5.011 7.388 1.00 0.00 N ATOM 288 CA ALA A 21 5.092 -5.591 8.638 1.00 0.00 C ATOM 289 C ALA A 21 6.213 -4.754 9.241 1.00 0.00 C ATOM 290 O ALA A 21 7.119 -4.311 8.537 1.00 0.00 O ATOM 291 CB ALA A 21 5.561 -7.021 8.411 1.00 0.00 C ATOM 0 H ALA A 21 4.347 -5.695 6.681 1.00 0.00 H new ATOM 0 HA ALA A 21 4.262 -5.600 9.344 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.913 -7.442 9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.733 -7.620 8.033 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.374 -7.026 7.685 1.00 0.00 H new ATOM 297 N GLY A 22 6.146 -4.538 10.552 1.00 0.00 N ATOM 298 CA GLY A 22 7.160 -3.752 11.228 1.00 0.00 C ATOM 299 C GLY A 22 6.665 -2.373 11.614 1.00 0.00 C ATOM 300 O GLY A 22 6.753 -1.977 12.777 1.00 0.00 O ATOM 0 H GLY A 22 5.406 -4.894 11.157 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.487 -4.280 12.123 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.031 -3.653 10.580 1.00 0.00 H new ATOM 304 N TYR A 23 6.143 -1.639 10.638 1.00 0.00 N ATOM 305 CA TYR A 23 5.635 -0.294 10.881 1.00 0.00 C ATOM 306 C TYR A 23 4.805 -0.249 12.160 1.00 0.00 C ATOM 307 O TYR A 23 3.938 -1.090 12.399 1.00 0.00 O ATOM 308 CB TYR A 23 4.792 0.178 9.696 1.00 0.00 C ATOM 309 CG TYR A 23 4.486 1.658 9.720 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.784 2.225 10.776 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.902 2.489 8.687 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.503 3.578 10.802 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.625 3.843 8.705 1.00 0.00 C ATOM 314 CZ TYR A 23 3.926 4.383 9.765 1.00 0.00 C ATOM 315 OH TYR A 23 3.649 5.730 9.788 1.00 0.00 O ATOM 0 H TYR A 23 6.060 -1.953 9.671 1.00 0.00 H new ATOM 0 HA TYR A 23 6.489 0.373 10.999 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.316 -0.061 8.771 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.854 -0.378 9.684 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.452 1.598 11.590 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.451 2.070 7.856 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.955 4.003 11.630 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.954 4.475 7.893 1.00 0.00 H new ATOM 0 HH TYR A 23 3.604 6.039 10.717 1.00 0.00 H new ATOM 325 N PRO A 24 5.074 0.759 13.004 1.00 0.00 N ATOM 326 CA PRO A 24 4.362 0.942 14.273 1.00 0.00 C ATOM 327 C PRO A 24 2.914 1.369 14.069 1.00 0.00 C ATOM 328 O PRO A 24 2.631 2.545 13.841 1.00 0.00 O ATOM 329 CB PRO A 24 5.156 2.051 14.968 1.00 0.00 C ATOM 330 CG PRO A 24 5.800 2.808 13.859 1.00 0.00 C ATOM 331 CD PRO A 24 6.094 1.798 12.784 1.00 0.00 C ATOM 0 HA PRO A 24 4.306 0.017 14.846 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.504 2.694 15.559 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.900 1.638 15.649 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.141 3.592 13.488 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.715 3.294 14.198 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.014 2.235 11.789 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.103 1.396 12.875 1.00 0.00 H new ATOM 339 N GLY A 25 2.000 0.408 14.152 1.00 0.00 N ATOM 340 CA GLY A 25 0.590 0.707 13.974 1.00 0.00 C ATOM 341 C GLY A 25 0.081 0.303 12.606 1.00 0.00 C ATOM 342 O GLY A 25 -0.702 1.026 11.989 1.00 0.00 O ATOM 0 H GLY A 25 2.210 -0.572 14.339 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.012 0.190 14.740 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.427 1.775 14.118 1.00 0.00 H new ATOM 346 N VAL A 26 0.525 -0.854 12.127 1.00 0.00 N ATOM 347 CA VAL A 26 0.110 -1.353 10.821 1.00 0.00 C ATOM 348 C VAL A 26 0.074 -2.877 10.802 1.00 0.00 C ATOM 349 O VAL A 26 1.111 -3.535 10.882 1.00 0.00 O ATOM 350 CB VAL A 26 1.049 -0.858 9.707 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.646 -1.452 8.365 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.051 0.663 9.647 1.00 0.00 C ATOM 0 H VAL A 26 1.173 -1.465 12.624 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.893 -0.967 10.638 1.00 0.00 H new ATOM 0 HB VAL A 26 2.061 -1.191 9.936 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.321 -1.091 7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.702 -2.539 8.417 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.374 -1.152 8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.721 0.995 8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.042 1.020 9.443 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.392 1.064 10.601 1.00 0.00 H new ATOM 362 N HIS A 27 -1.129 -3.433 10.694 1.00 0.00 N ATOM 363 CA HIS A 27 -1.301 -4.882 10.661 1.00 0.00 C ATOM 364 C HIS A 27 -2.228 -5.294 9.521 1.00 0.00 C ATOM 365 O HIS A 27 -3.400 -5.599 9.740 1.00 0.00 O ATOM 366 CB HIS A 27 -1.860 -5.380 11.994 1.00 0.00 C ATOM 367 CG HIS A 27 -2.503 -6.730 11.907 1.00 0.00 C ATOM 368 ND1 HIS A 27 -3.553 -7.116 12.713 1.00 0.00 N ATOM 369 CD2 HIS A 27 -2.240 -7.785 11.101 1.00 0.00 C ATOM 370 CE1 HIS A 27 -3.906 -8.352 12.408 1.00 0.00 C ATOM 371 NE2 HIS A 27 -3.125 -8.781 11.433 1.00 0.00 N ATOM 0 H HIS A 27 -1.998 -2.903 10.628 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.324 -5.335 10.493 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.053 -5.418 12.726 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -2.592 -4.661 12.363 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.476 -7.834 10.339 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.699 -8.916 12.877 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.172 -9.702 10.998 1.00 0.00 H new ATOM 380 N VAL A 28 -1.695 -5.299 8.303 1.00 0.00 N ATOM 381 CA VAL A 28 -2.473 -5.672 7.130 1.00 0.00 C ATOM 382 C VAL A 28 -2.894 -7.136 7.194 1.00 0.00 C ATOM 383 O VAL A 28 -2.150 -8.026 6.782 1.00 0.00 O ATOM 384 CB VAL A 28 -1.680 -5.434 5.830 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.440 -5.982 4.632 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.384 -3.953 5.652 1.00 0.00 C ATOM 0 H VAL A 28 -0.726 -5.048 8.104 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.361 -5.040 7.125 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.731 -5.966 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.864 -5.805 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.596 -7.053 4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.405 -5.482 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.824 -3.802 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.321 -3.398 5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.795 -3.596 6.497 1.00 0.00 H new ATOM 396 N SER A 29 -4.094 -7.379 7.712 1.00 0.00 N ATOM 397 CA SER A 29 -4.614 -8.736 7.833 1.00 0.00 C ATOM 398 C SER A 29 -5.412 -9.125 6.592 1.00 0.00 C ATOM 399 O SER A 29 -5.653 -10.306 6.340 1.00 0.00 O ATOM 400 CB SER A 29 -5.494 -8.859 9.078 1.00 0.00 C ATOM 401 OG SER A 29 -6.083 -10.145 9.162 1.00 0.00 O ATOM 0 H SER A 29 -4.724 -6.654 8.055 1.00 0.00 H new ATOM 0 HA SER A 29 -3.767 -9.416 7.927 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.896 -8.671 9.970 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.275 -8.099 9.052 1.00 0.00 H new ATOM 0 HG SER A 29 -6.873 -10.181 8.584 1.00 0.00 H new ATOM 407 N ASP A 30 -5.818 -8.124 5.819 1.00 0.00 N ATOM 408 CA ASP A 30 -6.588 -8.359 4.604 1.00 0.00 C ATOM 409 C ASP A 30 -6.817 -7.055 3.845 1.00 0.00 C ATOM 410 O ASP A 30 -6.766 -5.970 4.425 1.00 0.00 O ATOM 411 CB ASP A 30 -7.930 -9.009 4.942 1.00 0.00 C ATOM 412 CG ASP A 30 -8.434 -8.614 6.316 1.00 0.00 C ATOM 413 OD1 ASP A 30 -9.139 -7.587 6.417 1.00 0.00 O ATOM 414 OD2 ASP A 30 -8.126 -9.331 7.290 1.00 0.00 O ATOM 0 H ASP A 30 -5.626 -7.141 6.013 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.017 -9.034 3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.668 -8.724 4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.828 -10.093 4.893 1.00 0.00 H new ATOM 419 N LEU A 31 -7.069 -7.170 2.546 1.00 0.00 N ATOM 420 CA LEU A 31 -7.304 -6.000 1.706 1.00 0.00 C ATOM 421 C LEU A 31 -8.761 -5.556 1.789 1.00 0.00 C ATOM 422 O LEU A 31 -9.329 -5.071 0.811 1.00 0.00 O ATOM 423 CB LEU A 31 -6.935 -6.308 0.253 1.00 0.00 C ATOM 424 CG LEU A 31 -5.739 -7.237 0.047 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.894 -8.029 -1.241 1.00 0.00 C ATOM 426 CD2 LEU A 31 -4.442 -6.441 0.034 1.00 0.00 C ATOM 0 H LEU A 31 -7.116 -8.061 2.051 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.674 -5.189 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.803 -6.752 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.730 -5.366 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.702 -7.940 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.033 -8.685 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.803 -8.629 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.957 -7.342 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.601 -7.118 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.469 -5.714 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.326 -5.920 0.984 1.00 0.00 H new ATOM 438 N SER A 32 -9.359 -5.722 2.965 1.00 0.00 N ATOM 439 CA SER A 32 -10.750 -5.339 3.176 1.00 0.00 C ATOM 440 C SER A 32 -10.844 -3.932 3.761 1.00 0.00 C ATOM 441 O SER A 32 -11.184 -2.979 3.061 1.00 0.00 O ATOM 442 CB SER A 32 -11.441 -6.338 4.106 1.00 0.00 C ATOM 443 OG SER A 32 -12.018 -7.404 3.373 1.00 0.00 O ATOM 0 H SER A 32 -8.902 -6.119 3.786 1.00 0.00 H new ATOM 0 HA SER A 32 -11.253 -5.346 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.719 -6.733 4.821 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.214 -5.829 4.682 1.00 0.00 H new ATOM 0 HG SER A 32 -12.452 -8.029 3.991 1.00 0.00 H new ATOM 449 N SER A 33 -10.539 -3.813 5.049 1.00 0.00 N ATOM 450 CA SER A 33 -10.592 -2.524 5.730 1.00 0.00 C ATOM 451 C SER A 33 -9.225 -2.152 6.294 1.00 0.00 C ATOM 452 O SER A 33 -8.903 -0.973 6.443 1.00 0.00 O ATOM 453 CB SER A 33 -11.628 -2.561 6.855 1.00 0.00 C ATOM 454 OG SER A 33 -12.923 -2.837 6.348 1.00 0.00 O ATOM 0 H SER A 33 -10.253 -4.592 5.642 1.00 0.00 H new ATOM 0 HA SER A 33 -10.883 -1.767 5.002 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.350 -3.322 7.585 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.635 -1.605 7.378 1.00 0.00 H new ATOM 0 HG SER A 33 -13.566 -2.857 7.087 1.00 0.00 H new ATOM 460 N SER A 34 -8.424 -3.166 6.608 1.00 0.00 N ATOM 461 CA SER A 34 -7.093 -2.946 7.159 1.00 0.00 C ATOM 462 C SER A 34 -6.355 -1.860 6.383 1.00 0.00 C ATOM 463 O SER A 34 -5.506 -1.157 6.931 1.00 0.00 O ATOM 464 CB SER A 34 -6.286 -4.246 7.131 1.00 0.00 C ATOM 465 OG SER A 34 -6.461 -4.980 8.331 1.00 0.00 O ATOM 0 H SER A 34 -8.675 -4.148 6.490 1.00 0.00 H new ATOM 0 HA SER A 34 -7.205 -2.617 8.192 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.597 -4.853 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.229 -4.019 6.991 1.00 0.00 H new ATOM 0 HG SER A 34 -6.692 -5.908 8.116 1.00 0.00 H new ATOM 471 N TRP A 35 -6.686 -1.728 5.103 1.00 0.00 N ATOM 472 CA TRP A 35 -6.055 -0.727 4.250 1.00 0.00 C ATOM 473 C TRP A 35 -6.861 0.568 4.243 1.00 0.00 C ATOM 474 O TRP A 35 -6.329 1.639 3.955 1.00 0.00 O ATOM 475 CB TRP A 35 -5.912 -1.261 2.824 1.00 0.00 C ATOM 476 CG TRP A 35 -4.977 -2.427 2.717 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.213 -3.707 3.131 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.657 -2.420 2.163 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.119 -4.496 2.868 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.151 -3.730 2.273 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.853 -1.435 1.582 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -1.880 -4.077 1.825 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.591 -1.780 1.138 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.115 -3.093 1.261 1.00 0.00 C ATOM 0 H TRP A 35 -7.387 -2.301 4.633 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.065 -0.514 4.652 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.894 -1.557 2.454 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.556 -0.459 2.177 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.125 -4.049 3.597 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.040 -5.490 3.081 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.212 -0.421 1.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.511 -5.087 1.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.961 -1.026 0.689 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.124 -3.332 0.903 1.00 0.00 H new ATOM 495 N ALA A 36 -8.147 0.461 4.561 1.00 0.00 N ATOM 496 CA ALA A 36 -9.025 1.625 4.593 1.00 0.00 C ATOM 497 C ALA A 36 -8.844 2.412 5.885 1.00 0.00 C ATOM 498 O ALA A 36 -9.818 2.854 6.496 1.00 0.00 O ATOM 499 CB ALA A 36 -10.475 1.195 4.433 1.00 0.00 C ATOM 0 H ALA A 36 -8.604 -0.419 4.800 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.757 2.276 3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.120 2.073 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.599 0.681 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.747 0.522 5.246 1.00 0.00 H new ATOM 505 N ASP A 37 -7.593 2.585 6.297 1.00 0.00 N ATOM 506 CA ASP A 37 -7.285 3.322 7.519 1.00 0.00 C ATOM 507 C ASP A 37 -6.314 4.463 7.234 1.00 0.00 C ATOM 508 O ASP A 37 -6.307 5.474 7.935 1.00 0.00 O ATOM 509 CB ASP A 37 -6.693 2.382 8.571 1.00 0.00 C ATOM 510 CG ASP A 37 -7.618 1.229 8.903 1.00 0.00 C ATOM 511 OD1 ASP A 37 -8.845 1.454 8.976 1.00 0.00 O ATOM 512 OD2 ASP A 37 -7.117 0.100 9.089 1.00 0.00 O ATOM 0 H ASP A 37 -6.776 2.226 5.804 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.213 3.746 7.903 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.743 1.989 8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.480 2.946 9.479 1.00 0.00 H new ATOM 517 N GLY A 38 -5.495 4.294 6.201 1.00 0.00 N ATOM 518 CA GLY A 38 -4.531 5.318 5.842 1.00 0.00 C ATOM 519 C GLY A 38 -3.099 4.863 6.048 1.00 0.00 C ATOM 520 O GLY A 38 -2.318 4.799 5.098 1.00 0.00 O ATOM 0 H GLY A 38 -5.482 3.466 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.674 5.597 4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.715 6.211 6.439 1.00 0.00 H new ATOM 524 N LEU A 39 -2.754 4.547 7.291 1.00 0.00 N ATOM 525 CA LEU A 39 -1.406 4.097 7.620 1.00 0.00 C ATOM 526 C LEU A 39 -0.984 2.939 6.720 1.00 0.00 C ATOM 527 O LEU A 39 0.095 2.962 6.127 1.00 0.00 O ATOM 528 CB LEU A 39 -1.331 3.672 9.087 1.00 0.00 C ATOM 529 CG LEU A 39 -0.959 4.768 10.086 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.162 4.283 11.513 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.480 5.216 9.874 1.00 0.00 C ATOM 0 H LEU A 39 -3.389 4.594 8.088 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.722 4.929 7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.298 3.259 9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.602 2.866 9.174 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.614 5.623 9.918 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.892 5.077 12.209 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.207 4.012 11.660 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.532 3.412 11.694 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.728 5.996 10.593 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.150 4.367 10.014 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.595 5.606 8.862 1.00 0.00 H new ATOM 543 N ALA A 40 -1.843 1.930 6.624 1.00 0.00 N ATOM 544 CA ALA A 40 -1.561 0.765 5.793 1.00 0.00 C ATOM 545 C ALA A 40 -0.774 1.156 4.547 1.00 0.00 C ATOM 546 O ALA A 40 0.372 0.743 4.369 1.00 0.00 O ATOM 547 CB ALA A 40 -2.856 0.068 5.405 1.00 0.00 C ATOM 0 H ALA A 40 -2.739 1.895 7.110 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.950 0.075 6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.631 -0.800 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.379 -0.255 6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.488 0.759 4.847 1.00 0.00 H new ATOM 553 N LEU A 41 -1.396 1.954 3.686 1.00 0.00 N ATOM 554 CA LEU A 41 -0.754 2.401 2.455 1.00 0.00 C ATOM 555 C LEU A 41 0.539 3.150 2.756 1.00 0.00 C ATOM 556 O LEU A 41 1.520 3.038 2.020 1.00 0.00 O ATOM 557 CB LEU A 41 -1.703 3.298 1.658 1.00 0.00 C ATOM 558 CG LEU A 41 -2.643 2.585 0.685 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.771 3.510 0.258 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.873 2.083 -0.528 1.00 0.00 C ATOM 0 H LEU A 41 -2.345 2.305 3.818 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.512 1.520 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.307 3.870 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.106 4.015 1.095 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.079 1.726 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.430 2.985 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.339 3.820 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.354 4.389 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.557 1.578 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.408 2.926 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.101 1.384 -0.205 1.00 0.00 H new ATOM 572 N CYS A 42 0.536 3.911 3.845 1.00 0.00 N ATOM 573 CA CYS A 42 1.710 4.678 4.245 1.00 0.00 C ATOM 574 C CYS A 42 2.911 3.763 4.459 1.00 0.00 C ATOM 575 O CYS A 42 3.981 3.984 3.893 1.00 0.00 O ATOM 576 CB CYS A 42 1.420 5.465 5.525 1.00 0.00 C ATOM 577 SG CYS A 42 -0.091 6.457 5.454 1.00 0.00 S ATOM 0 H CYS A 42 -0.266 4.013 4.466 1.00 0.00 H new ATOM 0 HA CYS A 42 1.946 5.377 3.443 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.345 4.767 6.359 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.264 6.122 5.734 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.080 5.713 5.057 1.00 0.00 H new ATOM 583 N ALA A 43 2.726 2.735 5.282 1.00 0.00 N ATOM 584 CA ALA A 43 3.793 1.785 5.570 1.00 0.00 C ATOM 585 C ALA A 43 4.346 1.173 4.286 1.00 0.00 C ATOM 586 O ALA A 43 5.557 1.150 4.068 1.00 0.00 O ATOM 587 CB ALA A 43 3.292 0.694 6.504 1.00 0.00 C ATOM 0 H ALA A 43 1.847 2.539 5.761 1.00 0.00 H new ATOM 0 HA ALA A 43 4.602 2.325 6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.100 -0.008 6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.954 1.142 7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.463 0.165 6.034 1.00 0.00 H new ATOM 593 N LEU A 44 3.448 0.677 3.441 1.00 0.00 N ATOM 594 CA LEU A 44 3.846 0.063 2.178 1.00 0.00 C ATOM 595 C LEU A 44 4.734 1.005 1.370 1.00 0.00 C ATOM 596 O LEU A 44 5.801 0.614 0.897 1.00 0.00 O ATOM 597 CB LEU A 44 2.609 -0.315 1.362 1.00 0.00 C ATOM 598 CG LEU A 44 2.859 -0.696 -0.099 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.396 -2.116 -0.195 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.583 -0.550 -0.914 1.00 0.00 C ATOM 0 H LEU A 44 2.442 0.688 3.607 1.00 0.00 H new ATOM 0 HA LEU A 44 4.416 -0.839 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.115 -1.152 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.914 0.524 1.384 1.00 0.00 H new ATOM 0 HG LEU A 44 3.607 -0.018 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.568 -2.370 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.334 -2.188 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.671 -2.809 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.780 -0.825 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.813 -1.204 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.241 0.484 -0.872 1.00 0.00 H new ATOM 612 N VAL A 45 4.287 2.247 1.219 1.00 0.00 N ATOM 613 CA VAL A 45 5.043 3.246 0.472 1.00 0.00 C ATOM 614 C VAL A 45 6.379 3.542 1.146 1.00 0.00 C ATOM 615 O VAL A 45 7.441 3.253 0.595 1.00 0.00 O ATOM 616 CB VAL A 45 4.250 4.558 0.330 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.066 5.595 -0.427 1.00 0.00 C ATOM 618 CG2 VAL A 45 2.919 4.305 -0.363 1.00 0.00 C ATOM 0 H VAL A 45 3.405 2.586 1.604 1.00 0.00 H new ATOM 0 HA VAL A 45 5.224 2.830 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 45 4.045 4.948 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.490 6.516 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.990 5.797 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.304 5.216 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.372 5.244 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.098 3.891 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.332 3.599 0.224 1.00 0.00 H new ATOM 628 N TYR A 46 6.316 4.119 2.341 1.00 0.00 N ATOM 629 CA TYR A 46 7.521 4.456 3.089 1.00 0.00 C ATOM 630 C TYR A 46 8.524 3.308 3.054 1.00 0.00 C ATOM 631 O TYR A 46 9.664 3.476 2.620 1.00 0.00 O ATOM 632 CB TYR A 46 7.168 4.795 4.538 1.00 0.00 C ATOM 633 CG TYR A 46 6.522 6.152 4.702 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.208 7.314 4.373 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.226 6.273 5.189 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.623 8.557 4.521 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.632 7.511 5.339 1.00 0.00 C ATOM 638 CZ TYR A 46 5.335 8.650 5.005 1.00 0.00 C ATOM 639 OH TYR A 46 4.746 9.884 5.154 1.00 0.00 O ATOM 0 H TYR A 46 5.445 4.363 2.812 1.00 0.00 H new ATOM 0 HA TYR A 46 7.978 5.327 2.619 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.494 4.032 4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.074 4.758 5.142 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.217 7.245 3.995 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.674 5.384 5.455 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.171 9.450 4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.623 7.587 5.716 1.00 0.00 H new ATOM 0 HH TYR A 46 4.274 10.123 4.329 1.00 0.00 H new ATOM 649 N ARG A 47 8.091 2.138 3.513 1.00 0.00 N ATOM 650 CA ARG A 47 8.949 0.960 3.536 1.00 0.00 C ATOM 651 C ARG A 47 9.685 0.798 2.208 1.00 0.00 C ATOM 652 O ARG A 47 10.916 0.805 2.164 1.00 0.00 O ATOM 653 CB ARG A 47 8.124 -0.294 3.829 1.00 0.00 C ATOM 654 CG ARG A 47 8.955 -1.564 3.918 1.00 0.00 C ATOM 655 CD ARG A 47 9.430 -1.821 5.339 1.00 0.00 C ATOM 656 NE ARG A 47 10.184 -3.066 5.447 1.00 0.00 N ATOM 657 CZ ARG A 47 10.436 -3.676 6.601 1.00 0.00 C ATOM 658 NH1 ARG A 47 9.994 -3.157 7.739 1.00 0.00 N ATOM 659 NH2 ARG A 47 11.129 -4.807 6.617 1.00 0.00 N ATOM 0 H ARG A 47 7.150 1.981 3.874 1.00 0.00 H new ATOM 0 HA ARG A 47 9.686 1.094 4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.588 -0.154 4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.373 -0.415 3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.364 -2.412 3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.816 -1.484 3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.053 -0.990 5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.570 -1.859 6.007 1.00 0.00 H new ATOM 0 HE ARG A 47 10.537 -3.491 4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.460 -2.288 7.730 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.188 -3.627 8.623 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.469 -5.209 5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.322 -5.274 7.503 1.00 0.00 H new ATOM 673 N LEU A 48 8.924 0.652 1.130 1.00 0.00 N ATOM 674 CA LEU A 48 9.502 0.489 -0.199 1.00 0.00 C ATOM 675 C LEU A 48 10.762 1.334 -0.352 1.00 0.00 C ATOM 676 O LEU A 48 11.847 0.807 -0.597 1.00 0.00 O ATOM 677 CB LEU A 48 8.482 0.873 -1.272 1.00 0.00 C ATOM 678 CG LEU A 48 7.540 -0.240 -1.732 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.355 0.344 -2.487 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.284 -1.245 -2.598 1.00 0.00 C ATOM 0 H LEU A 48 7.904 0.643 1.150 1.00 0.00 H new ATOM 0 HA LEU A 48 9.773 -0.559 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.879 1.698 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.023 1.246 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 48 7.164 -0.760 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.695 -0.462 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.807 1.024 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.713 0.889 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.598 -2.030 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.689 -0.740 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.099 -1.686 -2.025 1.00 0.00 H new ATOM 692 N GLN A 49 10.610 2.645 -0.204 1.00 0.00 N ATOM 693 CA GLN A 49 11.737 3.563 -0.325 1.00 0.00 C ATOM 694 C GLN A 49 11.970 4.314 0.983 1.00 0.00 C ATOM 695 O GLN A 49 11.225 5.226 1.344 1.00 0.00 O ATOM 696 CB GLN A 49 11.493 4.557 -1.461 1.00 0.00 C ATOM 697 CG GLN A 49 12.766 5.008 -2.158 1.00 0.00 C ATOM 698 CD GLN A 49 13.392 6.223 -1.503 1.00 0.00 C ATOM 699 OE1 GLN A 49 14.557 6.198 -1.106 1.00 0.00 O ATOM 700 NE2 GLN A 49 12.619 7.297 -1.385 1.00 0.00 N ATOM 0 H GLN A 49 9.718 3.096 -0.000 1.00 0.00 H new ATOM 0 HA GLN A 49 12.628 2.977 -0.550 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.829 4.101 -2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.977 5.431 -1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.485 4.189 -2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.543 5.236 -3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.659 7.274 -1.728 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.986 8.144 -0.952 1.00 0.00 H new ATOM 709 N PRO A 50 13.027 3.925 1.710 1.00 0.00 N ATOM 710 CA PRO A 50 13.382 4.548 2.988 1.00 0.00 C ATOM 711 C PRO A 50 13.902 5.970 2.814 1.00 0.00 C ATOM 712 O PRO A 50 13.777 6.801 3.712 1.00 0.00 O ATOM 713 CB PRO A 50 14.486 3.637 3.532 1.00 0.00 C ATOM 714 CG PRO A 50 15.083 3.002 2.324 1.00 0.00 C ATOM 715 CD PRO A 50 13.958 2.845 1.340 1.00 0.00 C ATOM 0 HA PRO A 50 12.521 4.639 3.650 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.230 4.206 4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.082 2.889 4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.879 3.621 1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.525 2.036 2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.306 2.949 0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.488 1.865 1.420 1.00 0.00 H new ATOM 723 N GLY A 51 14.487 6.244 1.652 1.00 0.00 N ATOM 724 CA GLY A 51 15.018 7.568 1.381 1.00 0.00 C ATOM 725 C GLY A 51 13.974 8.654 1.540 1.00 0.00 C ATOM 726 O GLY A 51 14.269 9.742 2.036 1.00 0.00 O ATOM 0 H GLY A 51 14.603 5.573 0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.851 7.767 2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.416 7.596 0.367 1.00 0.00 H new ATOM 730 N LEU A 52 12.748 8.362 1.118 1.00 0.00 N ATOM 731 CA LEU A 52 11.655 9.323 1.214 1.00 0.00 C ATOM 732 C LEU A 52 11.390 9.702 2.668 1.00 0.00 C ATOM 733 O LEU A 52 11.685 8.933 3.585 1.00 0.00 O ATOM 734 CB LEU A 52 10.386 8.747 0.585 1.00 0.00 C ATOM 735 CG LEU A 52 10.219 8.973 -0.917 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.477 7.809 -1.554 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.487 10.282 -1.181 1.00 0.00 C ATOM 0 H LEU A 52 12.486 7.466 0.706 1.00 0.00 H new ATOM 0 HA LEU A 52 11.945 10.222 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.365 7.674 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.524 9.178 1.095 1.00 0.00 H new ATOM 0 HG LEU A 52 11.210 9.035 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.368 7.989 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.039 6.889 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.491 7.714 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.377 10.427 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.502 10.248 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.058 11.110 -0.760 1.00 0.00 H new ATOM 749 N LEU A 53 10.829 10.888 2.872 1.00 0.00 N ATOM 750 CA LEU A 53 10.521 11.368 4.214 1.00 0.00 C ATOM 751 C LEU A 53 9.803 10.294 5.026 1.00 0.00 C ATOM 752 O LEU A 53 9.493 9.220 4.512 1.00 0.00 O ATOM 753 CB LEU A 53 9.658 12.630 4.140 1.00 0.00 C ATOM 754 CG LEU A 53 8.231 12.439 3.626 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.193 11.374 2.541 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.297 12.070 4.769 1.00 0.00 C ATOM 0 H LEU A 53 10.578 11.535 2.125 1.00 0.00 H new ATOM 0 HA LEU A 53 11.461 11.606 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.608 13.070 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.161 13.352 3.497 1.00 0.00 H new ATOM 0 HG LEU A 53 7.892 13.381 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.169 11.252 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.830 11.678 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.552 10.428 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.286 11.938 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.634 11.141 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.301 12.866 5.514 1.00 0.00 H new ATOM 768 N GLU A 54 9.540 10.595 6.293 1.00 0.00 N ATOM 769 CA GLU A 54 8.856 9.655 7.174 1.00 0.00 C ATOM 770 C GLU A 54 7.466 10.166 7.541 1.00 0.00 C ATOM 771 O GLU A 54 7.168 11.356 7.443 1.00 0.00 O ATOM 772 CB GLU A 54 9.678 9.423 8.444 1.00 0.00 C ATOM 773 CG GLU A 54 10.752 8.359 8.287 1.00 0.00 C ATOM 774 CD GLU A 54 10.183 6.954 8.263 1.00 0.00 C ATOM 775 OE1 GLU A 54 9.820 6.480 7.165 1.00 0.00 O ATOM 776 OE2 GLU A 54 10.100 6.327 9.340 1.00 0.00 O ATOM 0 H GLU A 54 9.790 11.481 6.733 1.00 0.00 H new ATOM 0 HA GLU A 54 8.748 8.710 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.148 10.361 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.007 9.134 9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.304 8.539 7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.465 8.444 9.107 1.00 0.00 H new ATOM 783 N PRO A 55 6.593 9.244 7.975 1.00 0.00 N ATOM 784 CA PRO A 55 5.220 9.576 8.366 1.00 0.00 C ATOM 785 C PRO A 55 5.164 10.381 9.660 1.00 0.00 C ATOM 786 O PRO A 55 4.087 10.624 10.205 1.00 0.00 O ATOM 787 CB PRO A 55 4.564 8.206 8.559 1.00 0.00 C ATOM 788 CG PRO A 55 5.693 7.289 8.883 1.00 0.00 C ATOM 789 CD PRO A 55 6.880 7.806 8.118 1.00 0.00 C ATOM 0 HA PRO A 55 4.724 10.200 7.622 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.829 8.229 9.363 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.041 7.887 7.658 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.893 7.280 9.954 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.459 6.264 8.594 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.812 7.634 8.657 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.977 7.317 7.149 1.00 0.00 H new ATOM 797 N SER A 56 6.330 10.792 10.147 1.00 0.00 N ATOM 798 CA SER A 56 6.414 11.566 11.379 1.00 0.00 C ATOM 799 C SER A 56 5.197 12.474 11.534 1.00 0.00 C ATOM 800 O SER A 56 4.722 12.707 12.646 1.00 0.00 O ATOM 801 CB SER A 56 7.694 12.404 11.394 1.00 0.00 C ATOM 802 OG SER A 56 7.791 13.209 10.232 1.00 0.00 O ATOM 0 H SER A 56 7.230 10.602 9.707 1.00 0.00 H new ATOM 0 HA SER A 56 6.435 10.868 12.216 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.707 13.037 12.281 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.561 11.747 11.458 1.00 0.00 H new ATOM 0 HG SER A 56 8.617 13.736 10.267 1.00 0.00 H new ATOM 808 N GLU A 57 4.699 12.982 10.412 1.00 0.00 N ATOM 809 CA GLU A 57 3.538 13.865 10.422 1.00 0.00 C ATOM 810 C GLU A 57 2.243 13.060 10.345 1.00 0.00 C ATOM 811 O GLU A 57 1.271 13.360 11.039 1.00 0.00 O ATOM 812 CB GLU A 57 3.610 14.851 9.256 1.00 0.00 C ATOM 813 CG GLU A 57 4.855 15.721 9.270 1.00 0.00 C ATOM 814 CD GLU A 57 4.924 16.660 8.080 1.00 0.00 C ATOM 815 OE1 GLU A 57 5.246 16.189 6.970 1.00 0.00 O ATOM 816 OE2 GLU A 57 4.656 17.866 8.262 1.00 0.00 O ATOM 0 H GLU A 57 5.081 12.798 9.484 1.00 0.00 H new ATOM 0 HA GLU A 57 3.544 14.422 11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.576 14.295 8.319 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.729 15.492 9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.876 16.305 10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.739 15.084 9.277 1.00 0.00 H new ATOM 823 N LEU A 58 2.237 12.040 9.495 1.00 0.00 N ATOM 824 CA LEU A 58 1.062 11.191 9.325 1.00 0.00 C ATOM 825 C LEU A 58 0.599 10.629 10.665 1.00 0.00 C ATOM 826 O LEU A 58 -0.593 10.408 10.877 1.00 0.00 O ATOM 827 CB LEU A 58 1.369 10.048 8.358 1.00 0.00 C ATOM 828 CG LEU A 58 1.177 10.355 6.872 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.172 11.409 6.412 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.317 9.088 6.043 1.00 0.00 C ATOM 0 H LEU A 58 3.033 11.780 8.912 1.00 0.00 H new ATOM 0 HA LEU A 58 0.260 11.802 8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.402 9.735 8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.736 9.199 8.618 1.00 0.00 H new ATOM 0 HG LEU A 58 0.171 10.748 6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.020 11.615 5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.023 12.325 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.187 11.044 6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.177 9.326 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.310 8.664 6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.564 8.364 6.355 1.00 0.00 H new ATOM 842 N GLN A 59 1.549 10.402 11.566 1.00 0.00 N ATOM 843 CA GLN A 59 1.237 9.865 12.886 1.00 0.00 C ATOM 844 C GLN A 59 0.100 10.648 13.536 1.00 0.00 C ATOM 845 O GLN A 59 -0.786 10.068 14.164 1.00 0.00 O ATOM 846 CB GLN A 59 2.476 9.906 13.782 1.00 0.00 C ATOM 847 CG GLN A 59 2.750 11.276 14.381 1.00 0.00 C ATOM 848 CD GLN A 59 4.025 11.310 15.199 1.00 0.00 C ATOM 849 OE1 GLN A 59 4.838 10.387 15.143 1.00 0.00 O ATOM 850 NE2 GLN A 59 4.208 12.380 15.965 1.00 0.00 N ATOM 0 H GLN A 59 2.540 10.581 11.407 1.00 0.00 H new ATOM 0 HA GLN A 59 0.919 8.830 12.764 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.354 9.184 14.589 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.344 9.592 13.202 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.817 12.012 13.580 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.910 11.567 15.012 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.508 13.122 15.981 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.049 12.460 16.537 1.00 0.00 H new ATOM 859 N GLY A 60 0.131 11.968 13.380 1.00 0.00 N ATOM 860 CA GLY A 60 -0.902 12.807 13.958 1.00 0.00 C ATOM 861 C GLY A 60 -1.852 13.360 12.914 1.00 0.00 C ATOM 862 O GLY A 60 -2.306 14.500 13.018 1.00 0.00 O ATOM 0 H GLY A 60 0.853 12.471 12.864 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.467 12.230 14.690 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.436 13.633 14.495 1.00 0.00 H new ATOM 866 N LEU A 61 -2.151 12.551 11.903 1.00 0.00 N ATOM 867 CA LEU A 61 -3.053 12.966 10.833 1.00 0.00 C ATOM 868 C LEU A 61 -4.311 12.104 10.816 1.00 0.00 C ATOM 869 O LEU A 61 -4.313 10.980 11.317 1.00 0.00 O ATOM 870 CB LEU A 61 -2.344 12.880 9.481 1.00 0.00 C ATOM 871 CG LEU A 61 -1.538 14.113 9.066 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.768 13.840 7.782 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.453 15.316 8.896 1.00 0.00 C ATOM 0 H LEU A 61 -1.783 11.605 11.802 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.346 13.999 11.018 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.673 12.021 9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.092 12.684 8.713 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.820 14.337 9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.201 14.728 7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.083 13.006 7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.468 13.590 6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.863 16.183 8.601 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.195 15.103 8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.958 15.525 9.839 1.00 0.00 H new ATOM 885 N GLY A 62 -5.380 12.638 10.233 1.00 0.00 N ATOM 886 CA GLY A 62 -6.629 11.903 10.159 1.00 0.00 C ATOM 887 C GLY A 62 -6.512 10.641 9.327 1.00 0.00 C ATOM 888 O GLY A 62 -5.625 10.528 8.482 1.00 0.00 O ATOM 0 H GLY A 62 -5.403 13.566 9.811 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.953 11.641 11.166 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.400 12.545 9.733 1.00 0.00 H new ATOM 892 N ALA A 63 -7.407 9.689 9.568 1.00 0.00 N ATOM 893 CA ALA A 63 -7.399 8.430 8.834 1.00 0.00 C ATOM 894 C ALA A 63 -7.219 8.667 7.338 1.00 0.00 C ATOM 895 O ALA A 63 -6.495 7.932 6.666 1.00 0.00 O ATOM 896 CB ALA A 63 -8.684 7.658 9.098 1.00 0.00 C ATOM 0 H ALA A 63 -8.147 9.766 10.266 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.554 7.838 9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.665 6.720 8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.770 7.448 10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.539 8.253 8.775 1.00 0.00 H new ATOM 902 N LEU A 64 -7.882 9.696 6.824 1.00 0.00 N ATOM 903 CA LEU A 64 -7.797 10.030 5.407 1.00 0.00 C ATOM 904 C LEU A 64 -6.532 10.832 5.112 1.00 0.00 C ATOM 905 O LEU A 64 -5.788 10.516 4.185 1.00 0.00 O ATOM 906 CB LEU A 64 -9.030 10.823 4.973 1.00 0.00 C ATOM 907 CG LEU A 64 -9.486 10.620 3.527 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.791 9.153 3.266 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.702 11.482 3.225 1.00 0.00 C ATOM 0 H LEU A 64 -8.485 10.314 7.367 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.756 9.099 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.857 10.561 5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.826 11.883 5.123 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.677 10.926 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.114 9.027 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.895 8.558 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.583 8.821 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.012 11.324 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.517 11.208 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.449 12.532 3.372 1.00 0.00 H new ATOM 921 N GLU A 65 -6.297 11.869 5.908 1.00 0.00 N ATOM 922 CA GLU A 65 -5.122 12.715 5.733 1.00 0.00 C ATOM 923 C GLU A 65 -3.901 11.879 5.361 1.00 0.00 C ATOM 924 O GLU A 65 -3.113 12.263 4.497 1.00 0.00 O ATOM 925 CB GLU A 65 -4.841 13.507 7.012 1.00 0.00 C ATOM 926 CG GLU A 65 -5.733 14.726 7.181 1.00 0.00 C ATOM 927 CD GLU A 65 -5.695 15.647 5.977 1.00 0.00 C ATOM 928 OE1 GLU A 65 -4.668 16.330 5.785 1.00 0.00 O ATOM 929 OE2 GLU A 65 -6.694 15.685 5.229 1.00 0.00 O ATOM 0 H GLU A 65 -6.904 12.144 6.680 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.325 13.412 4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.971 12.850 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.799 13.827 7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.759 14.400 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.422 15.279 8.067 1.00 0.00 H new ATOM 936 N ALA A 66 -3.750 10.735 6.020 1.00 0.00 N ATOM 937 CA ALA A 66 -2.628 9.844 5.758 1.00 0.00 C ATOM 938 C ALA A 66 -2.699 9.271 4.347 1.00 0.00 C ATOM 939 O ALA A 66 -1.735 9.349 3.584 1.00 0.00 O ATOM 940 CB ALA A 66 -2.593 8.721 6.785 1.00 0.00 C ATOM 0 H ALA A 66 -4.392 10.404 6.740 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.709 10.425 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.749 8.063 6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.485 9.144 7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.520 8.150 6.732 1.00 0.00 H new ATOM 946 N THR A 67 -3.846 8.694 4.005 1.00 0.00 N ATOM 947 CA THR A 67 -4.042 8.105 2.686 1.00 0.00 C ATOM 948 C THR A 67 -3.617 9.070 1.585 1.00 0.00 C ATOM 949 O THR A 67 -2.959 8.677 0.622 1.00 0.00 O ATOM 950 CB THR A 67 -5.513 7.705 2.462 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.980 6.921 3.565 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.669 6.918 1.171 1.00 0.00 C ATOM 0 H THR A 67 -4.654 8.622 4.623 1.00 0.00 H new ATOM 0 HA THR A 67 -3.420 7.211 2.643 1.00 0.00 H new ATOM 0 HB THR A 67 -6.107 8.616 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.114 5.995 3.275 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.716 6.647 1.034 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.340 7.529 0.330 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.063 6.013 1.221 1.00 0.00 H new ATOM 960 N ALA A 68 -3.996 10.335 1.734 1.00 0.00 N ATOM 961 CA ALA A 68 -3.652 11.357 0.754 1.00 0.00 C ATOM 962 C ALA A 68 -2.176 11.281 0.377 1.00 0.00 C ATOM 963 O ALA A 68 -1.830 11.205 -0.801 1.00 0.00 O ATOM 964 CB ALA A 68 -3.992 12.739 1.289 1.00 0.00 C ATOM 0 H ALA A 68 -4.542 10.676 2.525 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.240 11.174 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.729 13.492 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.060 12.795 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.431 12.923 2.205 1.00 0.00 H new ATOM 970 N TRP A 69 -1.312 11.304 1.386 1.00 0.00 N ATOM 971 CA TRP A 69 0.127 11.239 1.160 1.00 0.00 C ATOM 972 C TRP A 69 0.492 10.019 0.321 1.00 0.00 C ATOM 973 O TRP A 69 1.027 10.149 -0.779 1.00 0.00 O ATOM 974 CB TRP A 69 0.872 11.196 2.495 1.00 0.00 C ATOM 975 CG TRP A 69 2.353 11.021 2.345 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.279 12.004 2.149 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.077 9.785 2.375 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.536 11.456 2.057 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.439 10.096 2.192 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.707 8.447 2.540 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.428 9.117 2.169 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.691 7.478 2.517 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.038 7.816 2.333 1.00 0.00 C ATOM 0 H TRP A 69 -1.583 11.367 2.367 1.00 0.00 H new ATOM 0 HA TRP A 69 0.425 12.134 0.614 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.676 12.118 3.042 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.476 10.378 3.097 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.057 13.058 2.077 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.401 11.977 1.912 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.671 8.176 2.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.467 9.375 2.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.417 6.441 2.643 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.783 7.034 2.320 1.00 0.00 H new ATOM 994 N ALA A 70 0.200 8.835 0.848 1.00 0.00 N ATOM 995 CA ALA A 70 0.495 7.592 0.147 1.00 0.00 C ATOM 996 C ALA A 70 0.247 7.735 -1.351 1.00 0.00 C ATOM 997 O ALA A 70 1.162 7.581 -2.160 1.00 0.00 O ATOM 998 CB ALA A 70 -0.339 6.453 0.715 1.00 0.00 C ATOM 0 H ALA A 70 -0.241 8.710 1.759 1.00 0.00 H new ATOM 0 HA ALA A 70 1.550 7.363 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.108 5.531 0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.110 6.327 1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.398 6.684 0.598 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.997 8.030 -1.714 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.367 8.193 -3.116 1.00 0.00 C ATOM 1006 C LEU A 71 -0.461 9.211 -3.803 1.00 0.00 C ATOM 1007 O LEU A 71 -0.208 9.122 -5.004 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.827 8.633 -3.231 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.877 7.548 -2.986 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.168 8.162 -2.469 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -4.132 6.756 -4.260 1.00 0.00 C ATOM 0 H LEU A 71 -1.766 8.161 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.244 7.231 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.998 9.443 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.984 9.044 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.496 6.864 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.903 7.375 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.973 8.683 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.555 8.868 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.882 5.988 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.492 7.427 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.205 6.284 -4.587 1.00 0.00 H new ATOM 1023 N LYS A 72 0.026 10.177 -3.032 1.00 0.00 N ATOM 1024 CA LYS A 72 0.906 11.210 -3.563 1.00 0.00 C ATOM 1025 C LYS A 72 2.315 10.666 -3.778 1.00 0.00 C ATOM 1026 O LYS A 72 2.779 10.547 -4.912 1.00 0.00 O ATOM 1027 CB LYS A 72 0.951 12.410 -2.614 1.00 0.00 C ATOM 1028 CG LYS A 72 1.418 13.693 -3.277 1.00 0.00 C ATOM 1029 CD LYS A 72 1.886 14.712 -2.251 1.00 0.00 C ATOM 1030 CE LYS A 72 3.380 14.596 -1.992 1.00 0.00 C ATOM 1031 NZ LYS A 72 3.675 13.701 -0.840 1.00 0.00 N ATOM 0 H LYS A 72 -0.174 10.266 -2.036 1.00 0.00 H new ATOM 0 HA LYS A 72 0.508 11.531 -4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.043 12.568 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.615 12.179 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.231 13.471 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.605 14.116 -3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.654 15.717 -2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.342 14.567 -1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.875 14.214 -2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.793 15.586 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.420 13.026 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.997 14.270 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.815 13.180 -0.576 1.00 0.00 H new ATOM 1045 N VAL A 73 2.992 10.338 -2.682 1.00 0.00 N ATOM 1046 CA VAL A 73 4.347 9.805 -2.751 1.00 0.00 C ATOM 1047 C VAL A 73 4.410 8.578 -3.654 1.00 0.00 C ATOM 1048 O VAL A 73 5.476 8.210 -4.146 1.00 0.00 O ATOM 1049 CB VAL A 73 4.874 9.428 -1.354 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.121 8.565 -1.467 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.156 10.680 -0.536 1.00 0.00 C ATOM 0 H VAL A 73 2.624 10.432 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 73 4.975 10.592 -3.168 1.00 0.00 H new ATOM 0 HB VAL A 73 4.106 8.849 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.478 8.309 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.883 7.652 -2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.897 9.115 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.528 10.395 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.905 11.286 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.238 11.256 -0.424 1.00 0.00 H new ATOM 1061 N ALA A 74 3.259 7.947 -3.865 1.00 0.00 N ATOM 1062 CA ALA A 74 3.183 6.761 -4.710 1.00 0.00 C ATOM 1063 C ALA A 74 3.027 7.144 -6.178 1.00 0.00 C ATOM 1064 O ALA A 74 3.441 6.401 -7.068 1.00 0.00 O ATOM 1065 CB ALA A 74 2.028 5.873 -4.269 1.00 0.00 C ATOM 0 H ALA A 74 2.368 8.237 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 74 4.115 6.207 -4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.982 4.991 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.181 5.564 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.093 6.427 -4.348 1.00 0.00 H new ATOM 1071 N GLU A 75 2.428 8.305 -6.423 1.00 0.00 N ATOM 1072 CA GLU A 75 2.219 8.784 -7.784 1.00 0.00 C ATOM 1073 C GLU A 75 3.380 9.663 -8.237 1.00 0.00 C ATOM 1074 O GLU A 75 3.603 9.846 -9.433 1.00 0.00 O ATOM 1075 CB GLU A 75 0.906 9.565 -7.877 1.00 0.00 C ATOM 1076 CG GLU A 75 0.571 10.027 -9.285 1.00 0.00 C ATOM 1077 CD GLU A 75 1.197 11.366 -9.624 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.544 12.114 -8.686 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.339 11.666 -10.827 1.00 0.00 O ATOM 0 H GLU A 75 2.079 8.931 -5.697 1.00 0.00 H new ATOM 0 HA GLU A 75 2.165 7.917 -8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.094 8.940 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.963 10.435 -7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.913 9.279 -10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.511 10.099 -9.392 1.00 0.00 H new ATOM 1086 N ASN A 76 4.115 10.206 -7.272 1.00 0.00 N ATOM 1087 CA ASN A 76 5.253 11.068 -7.571 1.00 0.00 C ATOM 1088 C ASN A 76 6.531 10.249 -7.722 1.00 0.00 C ATOM 1089 O ASN A 76 7.129 10.207 -8.797 1.00 0.00 O ATOM 1090 CB ASN A 76 5.431 12.112 -6.468 1.00 0.00 C ATOM 1091 CG ASN A 76 4.409 13.229 -6.557 1.00 0.00 C ATOM 1092 OD1 ASN A 76 3.944 13.575 -7.643 1.00 0.00 O ATOM 1093 ND2 ASN A 76 4.053 13.798 -5.411 1.00 0.00 N ATOM 0 H ASN A 76 3.943 10.065 -6.277 1.00 0.00 H new ATOM 0 HA ASN A 76 5.054 11.576 -8.515 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.350 11.626 -5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.434 12.535 -6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.368 14.554 -5.408 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.464 13.479 -4.534 1.00 0.00 H new ATOM 1100 N GLU A 77 6.942 9.598 -6.639 1.00 0.00 N ATOM 1101 CA GLU A 77 8.150 8.781 -6.651 1.00 0.00 C ATOM 1102 C GLU A 77 7.894 7.444 -7.344 1.00 0.00 C ATOM 1103 O GLU A 77 8.347 7.219 -8.467 1.00 0.00 O ATOM 1104 CB GLU A 77 8.645 8.540 -5.224 1.00 0.00 C ATOM 1105 CG GLU A 77 9.624 9.593 -4.735 1.00 0.00 C ATOM 1106 CD GLU A 77 10.954 9.535 -5.462 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.392 8.418 -5.810 1.00 0.00 O ATOM 1108 OE2 GLU A 77 11.558 10.606 -5.682 1.00 0.00 O ATOM 0 H GLU A 77 6.457 9.620 -5.742 1.00 0.00 H new ATOM 0 HA GLU A 77 8.917 9.320 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.788 8.512 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.122 7.561 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.185 10.582 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.792 9.459 -3.666 1.00 0.00 H new ATOM 1115 N LEU A 78 7.167 6.564 -6.668 1.00 0.00 N ATOM 1116 CA LEU A 78 6.850 5.250 -7.217 1.00 0.00 C ATOM 1117 C LEU A 78 6.215 5.375 -8.598 1.00 0.00 C ATOM 1118 O LEU A 78 6.337 4.479 -9.432 1.00 0.00 O ATOM 1119 CB LEU A 78 5.909 4.495 -6.276 1.00 0.00 C ATOM 1120 CG LEU A 78 6.247 4.570 -4.787 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.297 3.698 -3.979 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.690 4.153 -4.546 1.00 0.00 C ATOM 0 H LEU A 78 6.785 6.735 -5.738 1.00 0.00 H new ATOM 0 HA LEU A 78 7.781 4.691 -7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.899 4.880 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.895 3.446 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 78 6.128 5.603 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.553 3.764 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.273 4.042 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.383 2.663 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.913 4.213 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.835 3.129 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.357 4.818 -5.094 1.00 0.00 H new ATOM 1134 N GLY A 79 5.537 6.495 -8.832 1.00 0.00 N ATOM 1135 CA GLY A 79 4.893 6.718 -10.114 1.00 0.00 C ATOM 1136 C GLY A 79 3.622 5.907 -10.274 1.00 0.00 C ATOM 1137 O GLY A 79 2.995 5.929 -11.332 1.00 0.00 O ATOM 0 H GLY A 79 5.422 7.251 -8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.660 7.777 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.587 6.462 -10.915 1.00 0.00 H new ATOM 1141 N ILE A 80 3.244 5.190 -9.221 1.00 0.00 N ATOM 1142 CA ILE A 80 2.040 4.369 -9.250 1.00 0.00 C ATOM 1143 C ILE A 80 0.784 5.234 -9.246 1.00 0.00 C ATOM 1144 O ILE A 80 0.292 5.628 -8.188 1.00 0.00 O ATOM 1145 CB ILE A 80 1.989 3.402 -8.053 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.223 2.498 -8.046 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.716 2.571 -8.098 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.355 1.647 -9.289 1.00 0.00 C ATOM 0 H ILE A 80 3.754 5.161 -8.338 1.00 0.00 H new ATOM 0 HA ILE A 80 2.075 3.790 -10.173 1.00 0.00 H new ATOM 0 HB ILE A 80 1.986 3.986 -7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.115 3.115 -7.942 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.182 1.847 -7.173 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.694 1.892 -7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.151 3.231 -8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.691 1.994 -9.022 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.252 1.032 -9.215 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.480 1.004 -9.384 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.428 2.291 -10.165 1.00 0.00 H new ATOM 1160 N THR A 81 0.269 5.525 -10.436 1.00 0.00 N ATOM 1161 CA THR A 81 -0.931 6.342 -10.570 1.00 0.00 C ATOM 1162 C THR A 81 -2.024 5.876 -9.615 1.00 0.00 C ATOM 1163 O THR A 81 -2.274 4.681 -9.454 1.00 0.00 O ATOM 1164 CB THR A 81 -1.476 6.309 -12.011 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.480 6.786 -12.922 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.732 7.157 -12.134 1.00 0.00 C ATOM 0 H THR A 81 0.664 5.207 -11.321 1.00 0.00 H new ATOM 0 HA THR A 81 -0.646 7.364 -10.320 1.00 0.00 H new ATOM 0 HB THR A 81 -1.728 5.278 -12.257 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.833 6.760 -13.836 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.098 7.118 -13.160 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.498 6.773 -11.461 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.501 8.189 -11.870 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.694 6.839 -8.966 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.773 6.551 -8.015 1.00 0.00 C ATOM 1176 C PRO A 82 -5.022 6.010 -8.704 1.00 0.00 C ATOM 1177 O PRO A 82 -5.866 6.776 -9.168 1.00 0.00 O ATOM 1178 CB PRO A 82 -4.059 7.914 -7.380 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.622 8.907 -8.400 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.450 8.285 -9.109 1.00 0.00 C ATOM 0 HA PRO A 82 -3.490 5.782 -7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.117 8.027 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.511 8.038 -6.446 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.428 9.129 -9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.339 9.849 -7.931 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.409 8.584 -10.156 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.503 8.580 -8.656 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.132 4.687 -8.764 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.279 4.045 -9.394 1.00 0.00 C ATOM 1190 C VAL A 83 -7.547 4.258 -8.575 1.00 0.00 C ATOM 1191 O VAL A 83 -8.658 4.177 -9.099 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.046 2.533 -9.574 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.408 1.782 -8.302 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -6.845 2.007 -10.757 1.00 0.00 C ATOM 0 H VAL A 83 -4.441 4.039 -8.384 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.401 4.506 -10.374 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.988 2.369 -9.777 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.237 0.715 -8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.788 2.140 -7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.458 1.952 -8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.668 0.937 -10.869 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.907 2.183 -10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.533 2.523 -11.665 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.374 4.533 -7.286 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.504 4.761 -6.395 1.00 0.00 C ATOM 1206 C VAL A 84 -8.338 6.064 -5.620 1.00 0.00 C ATOM 1207 O VAL A 84 -7.233 6.416 -5.206 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.675 3.601 -5.397 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.771 3.918 -4.392 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -8.974 2.304 -6.134 1.00 0.00 C ATOM 0 H VAL A 84 -6.461 4.603 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.394 4.825 -7.022 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.740 3.474 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.877 3.087 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.510 4.822 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.713 4.073 -4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.092 1.495 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.894 2.415 -6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.151 2.071 -6.809 1.00 0.00 H new ATOM 1220 N SER A 85 -9.443 6.775 -5.425 1.00 0.00 N ATOM 1221 CA SER A 85 -9.421 8.041 -4.701 1.00 0.00 C ATOM 1222 C SER A 85 -9.156 7.814 -3.217 1.00 0.00 C ATOM 1223 O SER A 85 -9.557 6.796 -2.652 1.00 0.00 O ATOM 1224 CB SER A 85 -10.746 8.783 -4.888 1.00 0.00 C ATOM 1225 OG SER A 85 -10.557 10.187 -4.831 1.00 0.00 O ATOM 0 H SER A 85 -10.366 6.496 -5.758 1.00 0.00 H new ATOM 0 HA SER A 85 -8.612 8.649 -5.107 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.187 8.511 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.451 8.476 -4.115 1.00 0.00 H new ATOM 0 HG SER A 85 -11.418 10.638 -4.955 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.478 8.769 -2.589 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.161 8.674 -1.170 1.00 0.00 C ATOM 1233 C ALA A 86 -9.407 8.358 -0.348 1.00 0.00 C ATOM 1234 O ALA A 86 -9.354 7.574 0.598 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.522 9.968 -0.685 1.00 0.00 C ATOM 0 H ALA A 86 -8.138 9.618 -3.041 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.452 7.857 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.290 9.884 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.604 10.152 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.214 10.796 -0.841 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.526 8.973 -0.719 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.784 8.757 -0.014 1.00 0.00 C ATOM 1243 C GLN A 87 -12.289 7.334 -0.228 1.00 0.00 C ATOM 1244 O GLN A 87 -12.576 6.617 0.731 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.836 9.762 -0.486 1.00 0.00 C ATOM 1246 CG GLN A 87 -14.020 9.892 0.458 1.00 0.00 C ATOM 1247 CD GLN A 87 -15.136 8.919 0.133 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -14.887 7.791 -0.293 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -16.376 9.351 0.333 1.00 0.00 N ATOM 0 H GLN A 87 -10.587 9.624 -1.502 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.606 8.903 1.051 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.367 10.739 -0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.197 9.462 -1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.684 9.725 1.481 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.406 10.910 0.412 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.537 10.294 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.168 8.740 0.132 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.397 6.933 -1.490 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.866 5.596 -1.829 1.00 0.00 C ATOM 1260 C ALA A 88 -12.083 4.529 -1.071 1.00 0.00 C ATOM 1261 O ALA A 88 -12.651 3.543 -0.601 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.761 5.364 -3.330 1.00 0.00 C ATOM 0 H ALA A 88 -12.166 7.516 -2.295 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.912 5.520 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.115 4.361 -3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.371 6.099 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.722 5.466 -3.642 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.775 4.734 -0.955 1.00 0.00 N ATOM 1269 CA VAL A 89 -9.913 3.791 -0.253 1.00 0.00 C ATOM 1270 C VAL A 89 -10.359 3.611 1.194 1.00 0.00 C ATOM 1271 O VAL A 89 -10.788 2.528 1.593 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.443 4.252 -0.272 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.587 3.343 0.596 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -7.916 4.292 -1.698 1.00 0.00 C ATOM 0 H VAL A 89 -10.289 5.545 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.994 2.838 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.391 5.260 0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.552 3.684 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.953 3.370 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.642 2.322 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.876 4.620 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.980 3.297 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.513 4.988 -2.287 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.254 4.680 1.977 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.648 4.642 3.380 1.00 0.00 C ATOM 1286 C VAL A 90 -12.152 4.434 3.523 1.00 0.00 C ATOM 1287 O VAL A 90 -12.599 3.476 4.154 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.248 5.936 4.111 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -10.701 5.892 5.563 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -8.745 6.157 4.020 1.00 0.00 C ATOM 0 H VAL A 90 -9.899 5.583 1.663 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.123 3.801 3.833 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.746 6.775 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.409 6.815 6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.785 5.785 5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.234 5.044 6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.480 7.076 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.225 5.316 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.452 6.237 2.973 1.00 0.00 H new ATOM 1300 N ALA A 91 -12.927 5.337 2.933 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.381 5.252 2.992 1.00 0.00 C ATOM 1302 C ALA A 91 -14.852 3.809 2.847 1.00 0.00 C ATOM 1303 O ALA A 91 -15.755 3.366 3.555 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.005 6.124 1.914 1.00 0.00 C ATOM 0 H ALA A 91 -12.572 6.137 2.408 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.702 5.615 3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.091 6.051 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.703 7.160 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.669 5.787 0.933 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.235 3.080 1.921 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.607 1.695 1.698 1.00 0.00 C ATOM 1312 C GLY A 92 -15.744 1.552 0.706 1.00 0.00 C ATOM 1313 O GLY A 92 -16.574 0.651 0.828 1.00 0.00 O ATOM 0 H GLY A 92 -13.485 3.424 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.740 1.143 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.897 1.243 2.646 1.00 0.00 H new ATOM 1317 N SER A 93 -15.784 2.444 -0.278 1.00 0.00 N ATOM 1318 CA SER A 93 -16.830 2.417 -1.293 1.00 0.00 C ATOM 1319 C SER A 93 -16.443 1.498 -2.448 1.00 0.00 C ATOM 1320 O SER A 93 -17.265 0.729 -2.946 1.00 0.00 O ATOM 1321 CB SER A 93 -17.100 3.829 -1.817 1.00 0.00 C ATOM 1322 OG SER A 93 -18.101 3.818 -2.819 1.00 0.00 O ATOM 0 H SER A 93 -15.104 3.195 -0.394 1.00 0.00 H new ATOM 0 HA SER A 93 -17.739 2.029 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.412 4.472 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.181 4.252 -2.222 1.00 0.00 H new ATOM 0 HG SER A 93 -18.256 4.732 -3.136 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.187 1.586 -2.869 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.689 0.763 -3.965 1.00 0.00 C ATOM 1330 C ASP A 94 -13.635 -0.223 -3.469 1.00 0.00 C ATOM 1331 O ASP A 94 -12.438 0.065 -3.452 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.099 1.645 -5.067 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.142 2.534 -5.716 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -16.271 2.053 -5.946 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -14.828 3.712 -5.993 1.00 0.00 O ATOM 0 H ASP A 94 -14.495 2.219 -2.468 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.528 0.198 -4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.307 2.265 -4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.640 1.013 -5.827 1.00 0.00 H new ATOM 1340 N PRO A 95 -14.090 -1.416 -3.054 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.203 -2.468 -2.550 1.00 0.00 C ATOM 1342 C PRO A 95 -12.336 -3.072 -3.649 1.00 0.00 C ATOM 1343 O PRO A 95 -11.233 -3.556 -3.388 1.00 0.00 O ATOM 1344 CB PRO A 95 -14.174 -3.516 -1.999 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.434 -3.303 -2.764 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.503 -1.827 -3.046 1.00 0.00 C ATOM 0 HA PRO A 95 -12.499 -2.087 -1.810 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.790 -4.526 -2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.333 -3.384 -0.929 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.430 -3.877 -3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.300 -3.631 -2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.987 -1.622 -4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.071 -1.298 -2.281 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.839 -3.041 -4.878 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.109 -3.585 -6.018 1.00 0.00 C ATOM 1356 C LEU A 96 -10.916 -2.703 -6.371 1.00 0.00 C ATOM 1357 O LEU A 96 -9.793 -3.184 -6.506 1.00 0.00 O ATOM 1358 CB LEU A 96 -13.037 -3.716 -7.226 1.00 0.00 C ATOM 1359 CG LEU A 96 -13.945 -4.946 -7.244 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.258 -4.651 -6.537 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.198 -5.402 -8.674 1.00 0.00 C ATOM 0 H LEU A 96 -13.750 -2.645 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.738 -4.573 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.664 -2.826 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.426 -3.727 -8.129 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.442 -5.752 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.891 -5.538 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.059 -4.374 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.766 -3.829 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.846 -6.278 -8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.679 -4.599 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.250 -5.656 -9.148 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.169 -1.405 -6.518 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.106 -0.476 -6.853 1.00 0.00 C ATOM 1375 C GLY A 97 -8.884 -0.651 -5.973 1.00 0.00 C ATOM 1376 O GLY A 97 -7.759 -0.729 -6.469 1.00 0.00 O ATOM 0 H GLY A 97 -12.091 -0.981 -6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.822 -0.615 -7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.476 0.545 -6.757 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.104 -0.710 -4.665 1.00 0.00 N ATOM 1381 CA LEU A 98 -8.011 -0.875 -3.712 1.00 0.00 C ATOM 1382 C LEU A 98 -7.102 -2.030 -4.120 1.00 0.00 C ATOM 1383 O LEU A 98 -5.891 -1.862 -4.257 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.564 -1.118 -2.308 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.561 -1.622 -1.269 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.369 -0.682 -1.179 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -8.230 -1.769 0.090 1.00 0.00 C ATOM 0 H LEU A 98 -10.029 -0.646 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.423 0.043 -3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.997 -0.186 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.377 -1.841 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.202 -2.602 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.666 -1.056 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.875 -0.626 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.710 0.312 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.502 -2.129 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.617 -0.802 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.051 -2.482 0.016 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.696 -3.202 -4.316 1.00 0.00 N ATOM 1400 CA ILE A 99 -6.942 -4.385 -4.713 1.00 0.00 C ATOM 1401 C ILE A 99 -6.082 -4.102 -5.939 1.00 0.00 C ATOM 1402 O ILE A 99 -4.876 -4.348 -5.936 1.00 0.00 O ATOM 1403 CB ILE A 99 -7.874 -5.573 -5.015 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.729 -5.903 -3.790 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.062 -6.786 -5.445 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -9.933 -6.763 -4.108 1.00 0.00 C ATOM 0 H ILE A 99 -8.698 -3.358 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.298 -4.645 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.539 -5.296 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.111 -6.415 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.067 -4.974 -3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.734 -7.618 -5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.493 -6.543 -6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.376 -7.067 -4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.493 -6.957 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.573 -6.244 -4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.602 -7.708 -4.538 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.711 -3.582 -6.989 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.003 -3.261 -8.222 1.00 0.00 C ATOM 1420 C ALA A 100 -4.884 -2.257 -7.967 1.00 0.00 C ATOM 1421 O ALA A 100 -3.816 -2.335 -8.577 1.00 0.00 O ATOM 1422 CB ALA A 100 -6.973 -2.721 -9.262 1.00 0.00 C ATOM 0 H ALA A 100 -7.709 -3.374 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.553 -4.178 -8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.431 -2.485 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.734 -3.472 -9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.450 -1.818 -8.880 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.134 -1.315 -7.065 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.148 -0.294 -6.733 1.00 0.00 C ATOM 1430 C TYR A 101 -2.863 -0.927 -6.210 1.00 0.00 C ATOM 1431 O TYR A 101 -1.764 -0.590 -6.653 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.715 0.672 -5.691 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.821 1.861 -5.417 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.181 2.527 -6.455 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.614 2.316 -4.121 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.361 3.612 -6.209 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.799 3.401 -3.866 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.175 4.046 -4.913 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.360 5.126 -4.663 1.00 0.00 O ATOM 0 H TYR A 101 -6.011 -1.237 -6.550 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.914 0.259 -7.643 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.687 1.030 -6.030 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.882 0.131 -4.759 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.327 2.191 -7.471 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.099 1.812 -3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.869 4.117 -7.027 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.651 3.743 -2.852 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.188 5.607 -5.499 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.008 -1.847 -5.262 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.860 -2.530 -4.677 1.00 0.00 C ATOM 1451 C LEU A 102 -1.086 -3.304 -5.739 1.00 0.00 C ATOM 1452 O LEU A 102 0.133 -3.177 -5.849 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.318 -3.481 -3.568 1.00 0.00 C ATOM 1454 CG LEU A 102 -3.233 -2.879 -2.503 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -4.052 -3.966 -1.824 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.419 -2.104 -1.476 1.00 0.00 C ATOM 0 H LEU A 102 -3.909 -2.137 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.199 -1.776 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.835 -4.322 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.434 -3.883 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.919 -2.187 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.697 -3.517 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.664 -4.478 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -3.382 -4.683 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.087 -1.682 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.708 -2.775 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.878 -1.299 -1.973 1.00 0.00 H new ATOM 1468 N SER A 103 -1.804 -4.104 -6.521 1.00 0.00 N ATOM 1469 CA SER A 103 -1.185 -4.900 -7.574 1.00 0.00 C ATOM 1470 C SER A 103 -0.109 -4.098 -8.300 1.00 0.00 C ATOM 1471 O SER A 103 0.941 -4.629 -8.662 1.00 0.00 O ATOM 1472 CB SER A 103 -2.243 -5.376 -8.571 1.00 0.00 C ATOM 1473 OG SER A 103 -2.412 -4.439 -9.621 1.00 0.00 O ATOM 0 H SER A 103 -2.815 -4.218 -6.445 1.00 0.00 H new ATOM 0 HA SER A 103 -0.716 -5.768 -7.111 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.950 -6.341 -8.984 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.192 -5.525 -8.056 1.00 0.00 H new ATOM 0 HG SER A 103 -2.981 -3.703 -9.314 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.379 -2.813 -8.511 1.00 0.00 N ATOM 1480 CA HIS A 104 0.565 -1.935 -9.193 1.00 0.00 C ATOM 1481 C HIS A 104 1.892 -1.877 -8.444 1.00 0.00 C ATOM 1482 O HIS A 104 2.962 -1.952 -9.048 1.00 0.00 O ATOM 1483 CB HIS A 104 -0.020 -0.529 -9.329 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.094 -0.424 -10.367 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.331 0.724 -11.092 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -1.997 -1.335 -10.802 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.333 0.517 -11.926 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -2.755 -0.724 -11.771 1.00 0.00 N ATOM 0 H HIS A 104 -1.244 -2.357 -8.219 1.00 0.00 H new ATOM 0 HA HIS A 104 0.748 -2.342 -10.188 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.426 -0.219 -8.366 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.782 0.167 -9.576 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.101 -2.352 -10.452 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -2.739 1.240 -12.618 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.520 -1.159 -12.287 1.00 0.00 H new ATOM 1497 N PHE A 105 1.816 -1.743 -7.124 1.00 0.00 N ATOM 1498 CA PHE A 105 3.011 -1.672 -6.291 1.00 0.00 C ATOM 1499 C PHE A 105 3.836 -2.950 -6.416 1.00 0.00 C ATOM 1500 O PHE A 105 5.049 -2.901 -6.624 1.00 0.00 O ATOM 1501 CB PHE A 105 2.627 -1.441 -4.829 1.00 0.00 C ATOM 1502 CG PHE A 105 2.173 -0.038 -4.543 1.00 0.00 C ATOM 1503 CD1 PHE A 105 0.917 0.393 -4.939 1.00 0.00 C ATOM 1504 CD2 PHE A 105 3.003 0.851 -3.879 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.497 1.684 -4.677 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.588 2.143 -3.614 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.334 2.559 -4.015 1.00 0.00 C ATOM 0 H PHE A 105 0.938 -1.681 -6.608 1.00 0.00 H new ATOM 0 HA PHE A 105 3.616 -0.834 -6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.831 -2.134 -4.557 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.483 -1.674 -4.196 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.258 -0.287 -5.458 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.985 0.531 -3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.485 2.007 -4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.244 2.826 -3.094 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.008 3.568 -3.811 1.00 0.00 H new ATOM 1517 N HIS A 106 3.169 -4.093 -6.287 1.00 0.00 N ATOM 1518 CA HIS A 106 3.840 -5.384 -6.384 1.00 0.00 C ATOM 1519 C HIS A 106 4.329 -5.636 -7.807 1.00 0.00 C ATOM 1520 O HIS A 106 5.530 -5.755 -8.050 1.00 0.00 O ATOM 1521 CB HIS A 106 2.897 -6.507 -5.950 1.00 0.00 C ATOM 1522 CG HIS A 106 3.503 -7.872 -6.054 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.941 -8.891 -6.793 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.632 -8.384 -5.510 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.696 -9.971 -6.697 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.729 -9.690 -5.923 1.00 0.00 N ATOM 0 H HIS A 106 2.165 -4.151 -6.115 1.00 0.00 H new ATOM 0 HA HIS A 106 4.703 -5.368 -5.719 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.589 -6.333 -4.919 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.996 -6.471 -6.563 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.328 -7.862 -4.870 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.502 -10.922 -7.171 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.477 -10.337 -5.673 1.00 0.00 H new ATOM 1535 N SER A 107 3.390 -5.716 -8.745 1.00 0.00 N ATOM 1536 CA SER A 107 3.725 -5.959 -10.143 1.00 0.00 C ATOM 1537 C SER A 107 5.043 -5.284 -10.511 1.00 0.00 C ATOM 1538 O SER A 107 5.816 -5.805 -11.315 1.00 0.00 O ATOM 1539 CB SER A 107 2.607 -5.447 -11.053 1.00 0.00 C ATOM 1540 OG SER A 107 2.699 -6.020 -12.346 1.00 0.00 O ATOM 0 H SER A 107 2.392 -5.616 -8.562 1.00 0.00 H new ATOM 0 HA SER A 107 3.835 -7.034 -10.283 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.638 -5.686 -10.614 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.664 -4.361 -11.128 1.00 0.00 H new ATOM 0 HG SER A 107 1.973 -5.678 -12.908 1.00 0.00 H new ATOM 1546 N ALA A 108 5.294 -4.124 -9.915 1.00 0.00 N ATOM 1547 CA ALA A 108 6.519 -3.379 -10.177 1.00 0.00 C ATOM 1548 C ALA A 108 7.618 -3.767 -9.193 1.00 0.00 C ATOM 1549 O ALA A 108 8.756 -4.021 -9.588 1.00 0.00 O ATOM 1550 CB ALA A 108 6.251 -1.882 -10.110 1.00 0.00 C ATOM 0 H ALA A 108 4.665 -3.679 -9.247 1.00 0.00 H new ATOM 0 HA ALA A 108 6.861 -3.631 -11.181 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.175 -1.338 -10.308 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.504 -1.612 -10.857 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.882 -1.622 -9.118 1.00 0.00 H new ATOM 1556 N PHE A 109 7.271 -3.809 -7.912 1.00 0.00 N ATOM 1557 CA PHE A 109 8.229 -4.164 -6.871 1.00 0.00 C ATOM 1558 C PHE A 109 8.125 -5.645 -6.519 1.00 0.00 C ATOM 1559 O PHE A 109 8.152 -6.020 -5.347 1.00 0.00 O ATOM 1560 CB PHE A 109 7.996 -3.313 -5.621 1.00 0.00 C ATOM 1561 CG PHE A 109 8.347 -1.865 -5.808 1.00 0.00 C ATOM 1562 CD1 PHE A 109 7.549 -1.039 -6.583 1.00 0.00 C ATOM 1563 CD2 PHE A 109 9.476 -1.330 -5.208 1.00 0.00 C ATOM 1564 CE1 PHE A 109 7.870 0.294 -6.757 1.00 0.00 C ATOM 1565 CE2 PHE A 109 9.801 0.003 -5.377 1.00 0.00 C ATOM 1566 CZ PHE A 109 8.998 0.816 -6.154 1.00 0.00 C ATOM 0 H PHE A 109 6.333 -3.602 -7.569 1.00 0.00 H new ATOM 0 HA PHE A 109 9.231 -3.969 -7.253 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.949 -3.390 -5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.587 -3.719 -4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.666 -1.441 -7.057 1.00 0.00 H new ATOM 0 HD2 PHE A 109 10.109 -1.961 -4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.240 0.927 -7.364 1.00 0.00 H new ATOM 0 HE2 PHE A 109 10.682 0.409 -4.902 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.252 1.857 -6.290 1.00 0.00 H new ATOM 1576 N LYS A 110 8.007 -6.483 -7.543 1.00 0.00 N ATOM 1577 CA LYS A 110 7.899 -7.924 -7.344 1.00 0.00 C ATOM 1578 C LYS A 110 9.120 -8.644 -7.908 1.00 0.00 C ATOM 1579 O LYS A 110 9.569 -8.350 -9.016 1.00 0.00 O ATOM 1580 CB LYS A 110 6.627 -8.458 -8.007 1.00 0.00 C ATOM 1581 CG LYS A 110 6.606 -8.277 -9.515 1.00 0.00 C ATOM 1582 CD LYS A 110 5.357 -8.883 -10.132 1.00 0.00 C ATOM 1583 CE LYS A 110 5.536 -10.367 -10.413 1.00 0.00 C ATOM 1584 NZ LYS A 110 6.523 -10.609 -11.501 1.00 0.00 N ATOM 0 H LYS A 110 7.984 -6.189 -8.520 1.00 0.00 H new ATOM 0 HA LYS A 110 7.850 -8.115 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.524 -9.518 -7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.763 -7.952 -7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.653 -7.215 -9.756 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.490 -8.742 -9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.511 -8.739 -9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.119 -8.362 -11.060 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.865 -10.872 -9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.576 -10.803 -10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.346 -11.540 -11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.428 -9.870 -12.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.486 -10.586 -11.108 1.00 0.00 H new