USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=18 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 72 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.00327) USER MOD Set 1.2: A 76 ASN : amide:sc= -1.33 K(o=-1.3,f=0.33) USER MOD Single : A 16 CYS SG : rot 82:sc= 0.351 USER MOD Single : A 17 GLN : amide:sc= -0.0105 K(o=-0.011,f=-0.82) USER MOD Single : A 19 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.22) USER MOD Single : A 20 THR OG1 : rot -66:sc= 0.319 USER MOD Single : A 23 TYR OH : rot 30:sc= -0.0946 USER MOD Single : A 27 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-0.57) USER MOD Single : A 29 SER OG : rot 180:sc= 0 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 -109:sc= 0.0923 USER MOD Single : A 42 CYS SG : rot 46:sc= -1.1 USER MOD Single : A 46 TYR OH : rot 74:sc= 1.19 USER MOD Single : A 49 GLN : amide:sc= -1.76! C(o=-1.8!,f=-4.7!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.68 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= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0809 USER MOD Single : A 101 TYR OH : rot 32:sc= -1.6 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -4.83! K(o=-4.8!,f=-2.3) USER MOD Single : A 106 HIS : no HD1:sc= -4.98! K(o=-5!,f=-3.1) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -0.626 -13.416 -3.591 1.00 0.00 N ATOM 113 CA GLU A 11 0.747 -12.937 -3.688 1.00 0.00 C ATOM 114 C GLU A 11 0.838 -11.465 -3.300 1.00 0.00 C ATOM 115 O GLU A 11 1.837 -11.021 -2.731 1.00 0.00 O ATOM 116 CB GLU A 11 1.280 -13.135 -5.109 1.00 0.00 C ATOM 117 CG GLU A 11 1.924 -14.492 -5.334 1.00 0.00 C ATOM 118 CD GLU A 11 2.836 -14.511 -6.545 1.00 0.00 C ATOM 119 OE1 GLU A 11 2.338 -14.773 -7.659 1.00 0.00 O ATOM 120 OE2 GLU A 11 4.048 -14.263 -6.378 1.00 0.00 O ATOM 0 HA GLU A 11 1.357 -13.516 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.460 -13.010 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.010 -12.355 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.496 -14.770 -4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.145 -15.244 -5.459 1.00 0.00 H new ATOM 127 N LEU A 12 -0.211 -10.710 -3.608 1.00 0.00 N ATOM 128 CA LEU A 12 -0.249 -9.287 -3.292 1.00 0.00 C ATOM 129 C LEU A 12 -0.418 -9.066 -1.792 1.00 0.00 C ATOM 130 O LEU A 12 0.412 -8.421 -1.151 1.00 0.00 O ATOM 131 CB LEU A 12 -1.391 -8.607 -4.051 1.00 0.00 C ATOM 132 CG LEU A 12 -1.516 -7.095 -3.863 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.310 -6.383 -4.458 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.804 -6.583 -4.490 1.00 0.00 C ATOM 0 H LEU A 12 -1.047 -11.060 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 12 0.699 -8.846 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.266 -8.811 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.330 -9.070 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.548 -6.882 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.415 -5.308 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.597 -6.728 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.247 -6.603 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.875 -5.505 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.804 -6.807 -5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.657 -7.069 -4.017 1.00 0.00 H new ATOM 146 N LEU A 13 -1.496 -9.608 -1.238 1.00 0.00 N ATOM 147 CA LEU A 13 -1.773 -9.474 0.188 1.00 0.00 C ATOM 148 C LEU A 13 -0.544 -9.833 1.018 1.00 0.00 C ATOM 149 O LEU A 13 -0.017 -9.001 1.756 1.00 0.00 O ATOM 150 CB LEU A 13 -2.949 -10.367 0.587 1.00 0.00 C ATOM 151 CG LEU A 13 -3.169 -10.558 2.088 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.612 -9.255 2.733 1.00 0.00 C ATOM 153 CD2 LEU A 13 -4.191 -11.656 2.342 1.00 0.00 C ATOM 0 H LEU A 13 -2.193 -10.145 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.032 -8.434 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.859 -9.948 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.804 -11.348 0.134 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.223 -10.859 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.764 -9.411 3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.845 -8.495 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.546 -8.923 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.335 -11.778 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.139 -11.385 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.832 -12.593 1.915 1.00 0.00 H new ATOM 165 N ARG A 14 -0.091 -11.075 0.889 1.00 0.00 N ATOM 166 CA ARG A 14 1.076 -11.545 1.625 1.00 0.00 C ATOM 167 C ARG A 14 2.272 -10.626 1.390 1.00 0.00 C ATOM 168 O ARG A 14 2.819 -10.050 2.330 1.00 0.00 O ATOM 169 CB ARG A 14 1.428 -12.974 1.210 1.00 0.00 C ATOM 170 CG ARG A 14 0.566 -14.032 1.879 1.00 0.00 C ATOM 171 CD ARG A 14 1.179 -15.417 1.743 1.00 0.00 C ATOM 172 NE ARG A 14 2.074 -15.731 2.854 1.00 0.00 N ATOM 173 CZ ARG A 14 2.624 -16.927 3.040 1.00 0.00 C ATOM 174 NH1 ARG A 14 2.371 -17.915 2.192 1.00 0.00 N ATOM 175 NH2 ARG A 14 3.428 -17.134 4.074 1.00 0.00 N ATOM 0 H ARG A 14 -0.515 -11.775 0.281 1.00 0.00 H new ATOM 0 HA ARG A 14 0.833 -11.534 2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.326 -13.065 0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.474 -13.165 1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.443 -13.789 2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.429 -14.028 1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.385 -16.162 1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.730 -15.479 0.805 1.00 0.00 H new ATOM 0 HE ARG A 14 2.289 -14.992 3.524 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.754 -17.758 1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.794 -18.832 2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.625 -16.375 4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.850 -18.052 4.216 1.00 0.00 H new ATOM 189 N TRP A 15 2.671 -10.495 0.130 1.00 0.00 N ATOM 190 CA TRP A 15 3.802 -9.646 -0.229 1.00 0.00 C ATOM 191 C TRP A 15 3.710 -8.293 0.466 1.00 0.00 C ATOM 192 O TRP A 15 4.715 -7.754 0.932 1.00 0.00 O ATOM 193 CB TRP A 15 3.860 -9.453 -1.745 1.00 0.00 C ATOM 194 CG TRP A 15 4.886 -8.449 -2.176 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.240 -8.622 -2.206 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.640 -7.116 -2.638 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.850 -7.477 -2.658 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.891 -6.539 -2.931 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.484 -6.355 -2.835 1.00 0.00 C ATOM 200 CZ2 TRP A 15 6.015 -5.237 -3.408 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.610 -5.063 -3.308 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.867 -4.515 -3.590 1.00 0.00 C ATOM 0 H TRP A 15 2.229 -10.965 -0.660 1.00 0.00 H new ATOM 0 HA TRP A 15 4.715 -10.141 0.102 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.078 -10.411 -2.218 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.880 -9.137 -2.102 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.756 -9.526 -1.917 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.855 -7.347 -2.772 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.510 -6.770 -2.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.983 -4.812 -3.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.724 -4.466 -3.463 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.932 -3.502 -3.959 1.00 0.00 H new ATOM 213 N CYS A 16 2.500 -7.748 0.533 1.00 0.00 N ATOM 214 CA CYS A 16 2.277 -6.456 1.171 1.00 0.00 C ATOM 215 C CYS A 16 2.516 -6.544 2.675 1.00 0.00 C ATOM 216 O CYS A 16 3.246 -5.733 3.246 1.00 0.00 O ATOM 217 CB CYS A 16 0.854 -5.967 0.896 1.00 0.00 C ATOM 218 SG CYS A 16 0.573 -5.436 -0.809 1.00 0.00 S ATOM 0 H CYS A 16 1.658 -8.181 0.153 1.00 0.00 H new ATOM 0 HA CYS A 16 2.986 -5.743 0.750 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.154 -6.767 1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.631 -5.136 1.565 1.00 0.00 H new ATOM 0 HG CYS A 16 0.343 -6.476 -1.555 1.00 0.00 H new ATOM 224 N GLN A 17 1.895 -7.532 3.311 1.00 0.00 N ATOM 225 CA GLN A 17 2.038 -7.724 4.749 1.00 0.00 C ATOM 226 C GLN A 17 3.493 -7.560 5.178 1.00 0.00 C ATOM 227 O GLN A 17 3.781 -6.968 6.218 1.00 0.00 O ATOM 228 CB GLN A 17 1.529 -9.108 5.154 1.00 0.00 C ATOM 229 CG GLN A 17 0.017 -9.249 5.068 1.00 0.00 C ATOM 230 CD GLN A 17 -0.481 -10.563 5.636 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.309 -11.453 5.956 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.795 -10.692 5.766 1.00 0.00 N ATOM 0 H GLN A 17 1.288 -8.212 2.853 1.00 0.00 H new ATOM 0 HA GLN A 17 1.441 -6.963 5.252 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.993 -9.858 4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.848 -9.319 6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.452 -8.425 5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.293 -9.168 4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.412 -9.929 5.488 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.188 -11.554 6.144 1.00 0.00 H new ATOM 241 N GLU A 18 4.406 -8.089 4.369 1.00 0.00 N ATOM 242 CA GLU A 18 5.831 -8.002 4.667 1.00 0.00 C ATOM 243 C GLU A 18 6.306 -6.551 4.635 1.00 0.00 C ATOM 244 O GLU A 18 7.070 -6.120 5.499 1.00 0.00 O ATOM 245 CB GLU A 18 6.636 -8.834 3.666 1.00 0.00 C ATOM 246 CG GLU A 18 6.485 -10.334 3.862 1.00 0.00 C ATOM 247 CD GLU A 18 7.534 -11.129 3.109 1.00 0.00 C ATOM 248 OE1 GLU A 18 7.751 -10.842 1.913 1.00 0.00 O ATOM 249 OE2 GLU A 18 8.138 -12.037 3.716 1.00 0.00 O ATOM 0 H GLU A 18 4.185 -8.582 3.504 1.00 0.00 H new ATOM 0 HA GLU A 18 5.991 -8.398 5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.322 -8.575 2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.690 -8.569 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.552 -10.566 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.493 -10.642 3.530 1.00 0.00 H new ATOM 256 N GLN A 19 5.847 -5.806 3.635 1.00 0.00 N ATOM 257 CA GLN A 19 6.226 -4.405 3.490 1.00 0.00 C ATOM 258 C GLN A 19 5.549 -3.547 4.554 1.00 0.00 C ATOM 259 O GLN A 19 6.215 -2.874 5.342 1.00 0.00 O ATOM 260 CB GLN A 19 5.857 -3.897 2.096 1.00 0.00 C ATOM 261 CG GLN A 19 6.447 -4.729 0.969 1.00 0.00 C ATOM 262 CD GLN A 19 7.869 -5.171 1.253 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.762 -4.345 1.444 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.086 -6.481 1.285 1.00 0.00 N ATOM 0 H GLN A 19 5.213 -6.148 2.913 1.00 0.00 H new ATOM 0 HA GLN A 19 7.305 -4.330 3.621 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.771 -3.886 1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.197 -2.867 1.992 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.823 -5.608 0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.428 -4.149 0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.316 -7.130 1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.023 -6.838 1.474 1.00 0.00 H new ATOM 273 N THR A 20 4.220 -3.573 4.571 1.00 0.00 N ATOM 274 CA THR A 20 3.453 -2.796 5.537 1.00 0.00 C ATOM 275 C THR A 20 3.816 -3.181 6.966 1.00 0.00 C ATOM 276 O THR A 20 3.489 -2.467 7.913 1.00 0.00 O ATOM 277 CB THR A 20 1.937 -2.988 5.335 1.00 0.00 C ATOM 278 OG1 THR A 20 1.603 -4.378 5.421 1.00 0.00 O ATOM 279 CG2 THR A 20 1.497 -2.439 3.986 1.00 0.00 C ATOM 0 H THR A 20 3.652 -4.124 3.927 1.00 0.00 H new ATOM 0 HA THR A 20 3.705 -1.749 5.371 1.00 0.00 H new ATOM 0 HB THR A 20 1.416 -2.440 6.120 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.013 -4.860 4.672 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.424 -2.586 3.866 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.726 -1.375 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.026 -2.963 3.190 1.00 0.00 H new ATOM 287 N ALA A 21 4.494 -4.315 7.114 1.00 0.00 N ATOM 288 CA ALA A 21 4.904 -4.793 8.428 1.00 0.00 C ATOM 289 C ALA A 21 5.910 -3.842 9.069 1.00 0.00 C ATOM 290 O ALA A 21 6.400 -2.916 8.425 1.00 0.00 O ATOM 291 CB ALA A 21 5.492 -6.192 8.321 1.00 0.00 C ATOM 0 H ALA A 21 4.771 -4.919 6.340 1.00 0.00 H new ATOM 0 HA ALA A 21 4.021 -4.830 9.066 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.794 -6.536 9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.743 -6.871 7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.361 -6.172 7.663 1.00 0.00 H new ATOM 297 N GLY A 22 6.212 -4.077 10.342 1.00 0.00 N ATOM 298 CA GLY A 22 7.157 -3.233 11.049 1.00 0.00 C ATOM 299 C GLY A 22 6.536 -1.931 11.515 1.00 0.00 C ATOM 300 O GLY A 22 6.562 -1.614 12.704 1.00 0.00 O ATOM 0 H GLY A 22 5.819 -4.837 10.897 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.549 -3.774 11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.003 -3.016 10.397 1.00 0.00 H new ATOM 304 N TYR A 23 5.978 -1.175 10.576 1.00 0.00 N ATOM 305 CA TYR A 23 5.351 0.102 10.897 1.00 0.00 C ATOM 306 C TYR A 23 4.517 -0.005 12.169 1.00 0.00 C ATOM 307 O TYR A 23 3.665 -0.882 12.313 1.00 0.00 O ATOM 308 CB TYR A 23 4.471 0.567 9.735 1.00 0.00 C ATOM 309 CG TYR A 23 4.113 2.035 9.797 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.444 2.560 10.896 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.443 2.895 8.757 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.114 3.901 10.957 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.117 4.238 8.810 1.00 0.00 C ATOM 314 CZ TYR A 23 3.452 4.734 9.911 1.00 0.00 C ATOM 315 OH TYR A 23 3.126 6.071 9.969 1.00 0.00 O ATOM 0 H TYR A 23 5.947 -1.424 9.587 1.00 0.00 H new ATOM 0 HA TYR A 23 6.141 0.835 11.063 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.987 0.367 8.796 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.554 -0.022 9.726 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.177 1.910 11.716 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.963 2.508 7.893 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.595 4.294 11.819 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.382 4.894 7.994 1.00 0.00 H new ATOM 0 HH TYR A 23 3.119 6.366 10.904 1.00 0.00 H new ATOM 325 N PRO A 24 4.767 0.911 13.117 1.00 0.00 N ATOM 326 CA PRO A 24 4.049 0.944 14.395 1.00 0.00 C ATOM 327 C PRO A 24 2.594 1.367 14.232 1.00 0.00 C ATOM 328 O PRO A 24 2.294 2.552 14.091 1.00 0.00 O ATOM 329 CB PRO A 24 4.821 1.986 15.209 1.00 0.00 C ATOM 330 CG PRO A 24 5.455 2.869 14.190 1.00 0.00 C ATOM 331 CD PRO A 24 5.769 1.985 13.014 1.00 0.00 C ATOM 0 HA PRO A 24 4.008 -0.039 14.864 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.156 2.550 15.863 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.570 1.515 15.846 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.783 3.678 13.902 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.360 3.332 14.583 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.683 2.525 12.071 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.785 1.593 13.066 1.00 0.00 H new ATOM 339 N GLY A 25 1.693 0.389 14.253 1.00 0.00 N ATOM 340 CA GLY A 25 0.278 0.682 14.108 1.00 0.00 C ATOM 341 C GLY A 25 -0.260 0.277 12.749 1.00 0.00 C ATOM 342 O GLY A 25 -1.210 0.878 12.245 1.00 0.00 O ATOM 0 H GLY A 25 1.917 -0.599 14.368 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.280 0.161 14.886 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.113 1.749 14.258 1.00 0.00 H new ATOM 346 N VAL A 26 0.349 -0.742 12.151 1.00 0.00 N ATOM 347 CA VAL A 26 -0.074 -1.225 10.843 1.00 0.00 C ATOM 348 C VAL A 26 -0.175 -2.746 10.825 1.00 0.00 C ATOM 349 O VAL A 26 0.829 -3.447 10.945 1.00 0.00 O ATOM 350 CB VAL A 26 0.898 -0.773 9.737 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.546 -1.434 8.413 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.887 0.743 9.605 1.00 0.00 C ATOM 0 H VAL A 26 1.138 -1.249 12.553 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.057 -0.796 10.650 1.00 0.00 H new ATOM 0 HB VAL A 26 1.905 -1.084 10.014 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.244 -1.102 7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.610 -2.517 8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.468 -1.157 8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.579 1.045 8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.118 1.079 9.351 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.192 1.193 10.550 1.00 0.00 H new ATOM 362 N HIS A 27 -1.396 -3.250 10.673 1.00 0.00 N ATOM 363 CA HIS A 27 -1.629 -4.689 10.637 1.00 0.00 C ATOM 364 C HIS A 27 -2.507 -5.069 9.449 1.00 0.00 C ATOM 365 O HIS A 27 -3.728 -5.165 9.573 1.00 0.00 O ATOM 366 CB HIS A 27 -2.283 -5.153 11.939 1.00 0.00 C ATOM 367 CG HIS A 27 -2.438 -6.640 12.035 1.00 0.00 C ATOM 368 ND1 HIS A 27 -2.314 -7.335 13.219 1.00 0.00 N ATOM 369 CD2 HIS A 27 -2.709 -7.566 11.084 1.00 0.00 C ATOM 370 CE1 HIS A 27 -2.501 -8.623 12.994 1.00 0.00 C ATOM 371 NE2 HIS A 27 -2.743 -8.789 11.706 1.00 0.00 N ATOM 0 H HIS A 27 -2.238 -2.683 10.573 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.665 -5.185 10.526 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.685 -4.803 12.781 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.264 -4.687 12.029 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.869 -7.377 10.033 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.463 -9.407 13.736 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.926 -9.682 11.248 1.00 0.00 H new ATOM 380 N VAL A 28 -1.879 -5.282 8.298 1.00 0.00 N ATOM 381 CA VAL A 28 -2.602 -5.651 7.088 1.00 0.00 C ATOM 382 C VAL A 28 -2.964 -7.132 7.093 1.00 0.00 C ATOM 383 O VAL A 28 -2.087 -7.996 7.117 1.00 0.00 O ATOM 384 CB VAL A 28 -1.779 -5.340 5.824 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.494 -5.848 4.581 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.509 -3.846 5.719 1.00 0.00 C ATOM 0 H VAL A 28 -0.869 -5.205 8.178 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.515 -5.056 7.073 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.822 -5.856 5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.897 -5.619 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.632 -6.927 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.467 -5.363 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.926 -3.644 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.456 -3.308 5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.951 -3.515 6.595 1.00 0.00 H new ATOM 396 N SER A 29 -4.261 -7.419 7.070 1.00 0.00 N ATOM 397 CA SER A 29 -4.740 -8.797 7.076 1.00 0.00 C ATOM 398 C SER A 29 -5.681 -9.049 5.902 1.00 0.00 C ATOM 399 O SER A 29 -5.845 -10.186 5.456 1.00 0.00 O ATOM 400 CB SER A 29 -5.454 -9.106 8.392 1.00 0.00 C ATOM 401 OG SER A 29 -5.463 -10.498 8.654 1.00 0.00 O ATOM 0 H SER A 29 -5.000 -6.716 7.047 1.00 0.00 H new ATOM 0 HA SER A 29 -3.877 -9.456 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.958 -8.582 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.478 -8.734 8.350 1.00 0.00 H new ATOM 0 HG SER A 29 -5.924 -10.668 9.502 1.00 0.00 H new ATOM 407 N ASP A 30 -6.297 -7.983 5.405 1.00 0.00 N ATOM 408 CA ASP A 30 -7.222 -8.087 4.283 1.00 0.00 C ATOM 409 C ASP A 30 -7.382 -6.741 3.584 1.00 0.00 C ATOM 410 O ASP A 30 -7.386 -5.691 4.227 1.00 0.00 O ATOM 411 CB ASP A 30 -8.584 -8.593 4.761 1.00 0.00 C ATOM 412 CG ASP A 30 -8.869 -8.215 6.201 1.00 0.00 C ATOM 413 OD1 ASP A 30 -8.758 -7.015 6.533 1.00 0.00 O ATOM 414 OD2 ASP A 30 -9.204 -9.117 6.996 1.00 0.00 O ATOM 0 H ASP A 30 -6.172 -7.036 5.762 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.809 -8.800 3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.365 -8.185 4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.622 -9.678 4.659 1.00 0.00 H new ATOM 419 N LEU A 31 -7.514 -6.778 2.262 1.00 0.00 N ATOM 420 CA LEU A 31 -7.674 -5.561 1.474 1.00 0.00 C ATOM 421 C LEU A 31 -9.117 -5.066 1.522 1.00 0.00 C ATOM 422 O LEU A 31 -9.652 -4.587 0.523 1.00 0.00 O ATOM 423 CB LEU A 31 -7.255 -5.809 0.025 1.00 0.00 C ATOM 424 CG LEU A 31 -5.757 -5.999 -0.219 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.263 -7.265 0.460 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.460 -6.039 -1.711 1.00 0.00 C ATOM 0 H LEU A 31 -7.513 -7.638 1.714 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.032 -4.792 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.777 -6.695 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.597 -4.969 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.227 -5.150 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.195 -7.384 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.440 -7.195 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.798 -8.126 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.390 -6.175 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.000 -6.868 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.777 -5.103 -2.170 1.00 0.00 H new ATOM 438 N SER A 32 -9.740 -5.185 2.690 1.00 0.00 N ATOM 439 CA SER A 32 -11.120 -4.753 2.868 1.00 0.00 C ATOM 440 C SER A 32 -11.185 -3.464 3.681 1.00 0.00 C ATOM 441 O SER A 32 -11.737 -2.460 3.230 1.00 0.00 O ATOM 442 CB SER A 32 -11.936 -5.847 3.559 1.00 0.00 C ATOM 443 OG SER A 32 -11.985 -7.023 2.769 1.00 0.00 O ATOM 0 H SER A 32 -9.310 -5.577 3.527 1.00 0.00 H new ATOM 0 HA SER A 32 -11.544 -4.563 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.496 -6.075 4.530 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.948 -5.488 3.745 1.00 0.00 H new ATOM 0 HG SER A 32 -12.511 -7.707 3.233 1.00 0.00 H new ATOM 449 N SER A 33 -10.618 -3.501 4.882 1.00 0.00 N ATOM 450 CA SER A 33 -10.614 -2.338 5.763 1.00 0.00 C ATOM 451 C SER A 33 -9.217 -2.081 6.317 1.00 0.00 C ATOM 452 O SER A 33 -8.795 -0.934 6.461 1.00 0.00 O ATOM 453 CB SER A 33 -11.603 -2.539 6.913 1.00 0.00 C ATOM 454 OG SER A 33 -11.387 -3.780 7.559 1.00 0.00 O ATOM 0 H SER A 33 -10.155 -4.324 5.268 1.00 0.00 H new ATOM 0 HA SER A 33 -10.919 -1.470 5.179 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.498 -1.727 7.633 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.623 -2.497 6.531 1.00 0.00 H new ATOM 0 HG SER A 33 -12.030 -3.884 8.291 1.00 0.00 H new ATOM 460 N SER A 34 -8.503 -3.159 6.628 1.00 0.00 N ATOM 461 CA SER A 34 -7.155 -3.051 7.171 1.00 0.00 C ATOM 462 C SER A 34 -6.369 -1.951 6.464 1.00 0.00 C ATOM 463 O SER A 34 -5.458 -1.356 7.039 1.00 0.00 O ATOM 464 CB SER A 34 -6.419 -4.386 7.034 1.00 0.00 C ATOM 465 OG SER A 34 -6.613 -5.195 8.181 1.00 0.00 O ATOM 0 H SER A 34 -8.836 -4.116 6.513 1.00 0.00 H new ATOM 0 HA SER A 34 -7.236 -2.794 8.227 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.776 -4.913 6.149 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.354 -4.205 6.889 1.00 0.00 H new ATOM 0 HG SER A 34 -5.779 -5.240 8.694 1.00 0.00 H new ATOM 471 N TRP A 35 -6.730 -1.686 5.213 1.00 0.00 N ATOM 472 CA TRP A 35 -6.060 -0.658 4.426 1.00 0.00 C ATOM 473 C TRP A 35 -6.804 0.670 4.520 1.00 0.00 C ATOM 474 O TRP A 35 -6.198 1.738 4.449 1.00 0.00 O ATOM 475 CB TRP A 35 -5.953 -1.094 2.964 1.00 0.00 C ATOM 476 CG TRP A 35 -5.094 -2.305 2.767 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.408 -3.594 3.091 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.779 -2.340 2.203 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.367 -4.429 2.763 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.355 -3.684 2.216 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.917 -1.368 1.687 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -2.109 -4.077 1.733 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.681 -1.759 1.209 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.286 -3.104 1.234 1.00 0.00 C ATOM 0 H TRP A 35 -7.483 -2.169 4.723 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.057 -0.521 4.831 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.952 -1.300 2.580 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.548 -0.271 2.375 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.338 -3.911 3.539 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.350 -5.439 2.904 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.212 -0.329 1.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.803 -5.113 1.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.007 -1.016 0.809 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.314 -3.378 0.852 1.00 0.00 H new ATOM 495 N ALA A 36 -8.122 0.596 4.680 1.00 0.00 N ATOM 496 CA ALA A 36 -8.947 1.793 4.786 1.00 0.00 C ATOM 497 C ALA A 36 -8.282 2.842 5.670 1.00 0.00 C ATOM 498 O ALA A 36 -8.127 3.995 5.270 1.00 0.00 O ATOM 499 CB ALA A 36 -10.323 1.437 5.329 1.00 0.00 C ATOM 0 H ALA A 36 -8.641 -0.280 4.739 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.060 2.217 3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.929 2.340 5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.807 0.729 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.219 0.987 6.316 1.00 0.00 H new ATOM 505 N ASP A 37 -7.891 2.434 6.873 1.00 0.00 N ATOM 506 CA ASP A 37 -7.242 3.340 7.812 1.00 0.00 C ATOM 507 C ASP A 37 -6.367 4.351 7.078 1.00 0.00 C ATOM 508 O ASP A 37 -6.272 5.511 7.476 1.00 0.00 O ATOM 509 CB ASP A 37 -6.399 2.550 8.815 1.00 0.00 C ATOM 510 CG ASP A 37 -5.852 1.265 8.225 1.00 0.00 C ATOM 511 OD1 ASP A 37 -5.448 1.279 7.044 1.00 0.00 O ATOM 512 OD2 ASP A 37 -5.830 0.243 8.945 1.00 0.00 O ATOM 0 H ASP A 37 -8.012 1.482 7.220 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.019 3.884 8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.571 3.170 9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.005 2.316 9.690 1.00 0.00 H new ATOM 517 N GLY A 38 -5.727 3.901 6.002 1.00 0.00 N ATOM 518 CA GLY A 38 -4.868 4.779 5.230 1.00 0.00 C ATOM 519 C GLY A 38 -3.397 4.551 5.520 1.00 0.00 C ATOM 520 O GLY A 38 -2.550 4.718 4.641 1.00 0.00 O ATOM 0 H GLY A 38 -5.788 2.945 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.054 4.623 4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.122 5.816 5.449 1.00 0.00 H new ATOM 524 N LEU A 39 -3.090 4.170 6.755 1.00 0.00 N ATOM 525 CA LEU A 39 -1.711 3.921 7.159 1.00 0.00 C ATOM 526 C LEU A 39 -1.090 2.809 6.319 1.00 0.00 C ATOM 527 O LEU A 39 0.009 2.959 5.787 1.00 0.00 O ATOM 528 CB LEU A 39 -1.653 3.550 8.642 1.00 0.00 C ATOM 529 CG LEU A 39 -1.475 4.713 9.618 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.712 4.249 11.048 1.00 0.00 C ATOM 531 CD2 LEU A 39 -0.089 5.323 9.476 1.00 0.00 C ATOM 0 H LEU A 39 -3.778 4.027 7.494 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.140 4.835 6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.571 3.022 8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.831 2.850 8.789 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.212 5.479 9.378 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.581 5.089 11.730 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.726 3.861 11.141 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.999 3.464 11.299 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.019 6.149 10.179 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.665 4.565 9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.044 5.692 8.459 1.00 0.00 H new ATOM 543 N ALA A 40 -1.803 1.694 6.204 1.00 0.00 N ATOM 544 CA ALA A 40 -1.325 0.558 5.425 1.00 0.00 C ATOM 545 C ALA A 40 -0.515 1.021 4.219 1.00 0.00 C ATOM 546 O ALA A 40 0.680 0.742 4.115 1.00 0.00 O ATOM 547 CB ALA A 40 -2.495 -0.306 4.978 1.00 0.00 C ATOM 0 H ALA A 40 -2.714 1.553 6.640 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.671 -0.038 6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.123 -1.150 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.030 -0.675 5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.171 0.287 4.363 1.00 0.00 H new ATOM 553 N LEU A 41 -1.173 1.731 3.309 1.00 0.00 N ATOM 554 CA LEU A 41 -0.514 2.233 2.107 1.00 0.00 C ATOM 555 C LEU A 41 0.707 3.073 2.467 1.00 0.00 C ATOM 556 O LEU A 41 1.736 3.010 1.793 1.00 0.00 O ATOM 557 CB LEU A 41 -1.492 3.065 1.275 1.00 0.00 C ATOM 558 CG LEU A 41 -2.312 2.298 0.238 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.623 3.016 -0.043 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.515 2.118 -1.045 1.00 0.00 C ATOM 0 H LEU A 41 -2.162 1.972 3.380 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.183 1.377 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.181 3.567 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.929 3.843 0.760 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.541 1.312 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.193 2.455 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.201 3.092 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.416 4.016 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.114 1.570 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.255 3.095 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.603 1.560 -0.832 1.00 0.00 H new ATOM 572 N CYS A 42 0.588 3.854 3.533 1.00 0.00 N ATOM 573 CA CYS A 42 1.684 4.706 3.984 1.00 0.00 C ATOM 574 C CYS A 42 2.931 3.877 4.276 1.00 0.00 C ATOM 575 O CYS A 42 4.021 4.191 3.799 1.00 0.00 O ATOM 576 CB CYS A 42 1.270 5.485 5.235 1.00 0.00 C ATOM 577 SG CYS A 42 -0.306 6.357 5.073 1.00 0.00 S ATOM 0 H CYS A 42 -0.256 3.916 4.102 1.00 0.00 H new ATOM 0 HA CYS A 42 1.917 5.411 3.186 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.206 4.794 6.076 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.050 6.208 5.475 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.184 5.568 4.529 1.00 0.00 H new ATOM 583 N ALA A 43 2.763 2.820 5.062 1.00 0.00 N ATOM 584 CA ALA A 43 3.874 1.947 5.418 1.00 0.00 C ATOM 585 C ALA A 43 4.479 1.297 4.178 1.00 0.00 C ATOM 586 O ALA A 43 5.677 1.423 3.920 1.00 0.00 O ATOM 587 CB ALA A 43 3.415 0.882 6.403 1.00 0.00 C ATOM 0 H ALA A 43 1.867 2.547 5.465 1.00 0.00 H new ATOM 0 HA ALA A 43 4.645 2.555 5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.256 0.237 6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.036 1.361 7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.624 0.284 5.950 1.00 0.00 H new ATOM 593 N LEU A 44 3.645 0.602 3.413 1.00 0.00 N ATOM 594 CA LEU A 44 4.098 -0.069 2.200 1.00 0.00 C ATOM 595 C LEU A 44 4.948 0.866 1.346 1.00 0.00 C ATOM 596 O LEU A 44 5.945 0.451 0.755 1.00 0.00 O ATOM 597 CB LEU A 44 2.899 -0.568 1.391 1.00 0.00 C ATOM 598 CG LEU A 44 3.183 -0.956 -0.060 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.992 -2.243 -0.120 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.883 -1.106 -0.836 1.00 0.00 C ATOM 0 H LEU A 44 2.651 0.488 3.611 1.00 0.00 H new ATOM 0 HA LEU A 44 4.711 -0.921 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.477 -1.434 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.135 0.209 1.395 1.00 0.00 H new ATOM 0 HG LEU A 44 3.769 -0.160 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.185 -2.504 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.940 -2.102 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.432 -3.047 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.104 -1.382 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.272 -1.882 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.340 -0.161 -0.822 1.00 0.00 H new ATOM 612 N VAL A 45 4.547 2.132 1.286 1.00 0.00 N ATOM 613 CA VAL A 45 5.274 3.128 0.507 1.00 0.00 C ATOM 614 C VAL A 45 6.596 3.489 1.173 1.00 0.00 C ATOM 615 O VAL A 45 7.662 3.368 0.568 1.00 0.00 O ATOM 616 CB VAL A 45 4.441 4.409 0.317 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.238 5.458 -0.442 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.137 4.096 -0.402 1.00 0.00 C ATOM 0 H VAL A 45 3.723 2.492 1.767 1.00 0.00 H new ATOM 0 HA VAL A 45 5.472 2.684 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 45 4.200 4.812 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.632 6.356 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.141 5.704 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.513 5.067 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.561 5.013 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.355 3.668 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.559 3.383 0.186 1.00 0.00 H new ATOM 628 N TYR A 46 6.521 3.931 2.424 1.00 0.00 N ATOM 629 CA TYR A 46 7.713 4.313 3.173 1.00 0.00 C ATOM 630 C TYR A 46 8.775 3.220 3.097 1.00 0.00 C ATOM 631 O TYR A 46 9.930 3.484 2.761 1.00 0.00 O ATOM 632 CB TYR A 46 7.355 4.592 4.633 1.00 0.00 C ATOM 633 CG TYR A 46 6.643 5.910 4.841 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.255 7.112 4.503 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.362 5.954 5.376 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.609 8.318 4.692 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.709 7.156 5.567 1.00 0.00 C ATOM 638 CZ TYR A 46 5.336 8.335 5.224 1.00 0.00 C ATOM 639 OH TYR A 46 4.690 9.535 5.414 1.00 0.00 O ATOM 0 H TYR A 46 5.648 4.034 2.941 1.00 0.00 H new ATOM 0 HA TYR A 46 8.118 5.221 2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.723 3.785 5.004 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.267 4.583 5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.251 7.102 4.086 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.868 5.033 5.647 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.098 9.243 4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.712 7.172 5.983 1.00 0.00 H new ATOM 0 HH TYR A 46 4.394 9.888 4.549 1.00 0.00 H new ATOM 649 N ARG A 47 8.377 1.993 3.413 1.00 0.00 N ATOM 650 CA ARG A 47 9.293 0.859 3.383 1.00 0.00 C ATOM 651 C ARG A 47 9.935 0.717 2.006 1.00 0.00 C ATOM 652 O ARG A 47 11.150 0.856 1.859 1.00 0.00 O ATOM 653 CB ARG A 47 8.557 -0.429 3.750 1.00 0.00 C ATOM 654 CG ARG A 47 8.586 -0.746 5.236 1.00 0.00 C ATOM 655 CD ARG A 47 7.899 0.338 6.050 1.00 0.00 C ATOM 656 NE ARG A 47 8.827 1.388 6.460 1.00 0.00 N ATOM 657 CZ ARG A 47 9.811 1.199 7.332 1.00 0.00 C ATOM 658 NH1 ARG A 47 9.994 0.007 7.883 1.00 0.00 N ATOM 659 NH2 ARG A 47 10.616 2.204 7.654 1.00 0.00 N ATOM 0 H ARG A 47 7.425 1.758 3.693 1.00 0.00 H new ATOM 0 HA ARG A 47 10.080 1.040 4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.520 -0.350 3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.001 -1.260 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.095 -1.703 5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.619 -0.851 5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.093 0.777 5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.443 -0.107 6.934 1.00 0.00 H new ATOM 0 HE ARG A 47 8.714 2.317 6.055 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.378 -0.768 7.638 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.751 -0.135 8.552 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.479 3.122 7.232 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.371 2.058 8.324 1.00 0.00 H new ATOM 673 N LEU A 48 9.112 0.439 1.001 1.00 0.00 N ATOM 674 CA LEU A 48 9.600 0.277 -0.364 1.00 0.00 C ATOM 675 C LEU A 48 10.772 1.214 -0.639 1.00 0.00 C ATOM 676 O LEU A 48 11.717 0.850 -1.338 1.00 0.00 O ATOM 677 CB LEU A 48 8.473 0.546 -1.364 1.00 0.00 C ATOM 678 CG LEU A 48 7.521 -0.621 -1.632 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.291 -0.144 -2.388 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.232 -1.722 -2.406 1.00 0.00 C ATOM 0 H LEU A 48 8.104 0.321 1.106 1.00 0.00 H new ATOM 0 HA LEU A 48 9.945 -0.750 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.887 1.391 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.919 0.850 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 48 7.197 -1.028 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.626 -0.988 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.770 0.609 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.595 0.290 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.540 -2.544 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.585 -1.327 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.081 -2.084 -1.826 1.00 0.00 H new ATOM 692 N GLN A 49 10.704 2.418 -0.082 1.00 0.00 N ATOM 693 CA GLN A 49 11.761 3.405 -0.265 1.00 0.00 C ATOM 694 C GLN A 49 12.130 4.062 1.060 1.00 0.00 C ATOM 695 O GLN A 49 11.511 5.034 1.492 1.00 0.00 O ATOM 696 CB GLN A 49 11.323 4.471 -1.272 1.00 0.00 C ATOM 697 CG GLN A 49 11.601 4.093 -2.718 1.00 0.00 C ATOM 698 CD GLN A 49 11.184 5.175 -3.695 1.00 0.00 C ATOM 699 OE1 GLN A 49 10.386 4.934 -4.601 1.00 0.00 O ATOM 700 NE2 GLN A 49 11.721 6.376 -3.514 1.00 0.00 N ATOM 0 H GLN A 49 9.928 2.734 0.500 1.00 0.00 H new ATOM 0 HA GLN A 49 12.641 2.890 -0.650 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.255 4.655 -1.152 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.835 5.406 -1.045 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.665 3.891 -2.838 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.072 3.170 -2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.378 6.531 -2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.476 7.144 -4.139 1.00 0.00 H new ATOM 709 N PRO A 50 13.161 3.519 1.724 1.00 0.00 N ATOM 710 CA PRO A 50 13.636 4.037 3.011 1.00 0.00 C ATOM 711 C PRO A 50 14.311 5.397 2.875 1.00 0.00 C ATOM 712 O PRO A 50 14.703 6.009 3.868 1.00 0.00 O ATOM 713 CB PRO A 50 14.645 2.981 3.467 1.00 0.00 C ATOM 714 CG PRO A 50 15.118 2.340 2.209 1.00 0.00 C ATOM 715 CD PRO A 50 13.946 2.359 1.268 1.00 0.00 C ATOM 0 HA PRO A 50 12.818 4.196 3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.471 3.434 4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.182 2.252 4.133 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.965 2.883 1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.454 1.320 2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.265 2.472 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.369 1.436 1.326 1.00 0.00 H new ATOM 723 N GLY A 51 14.444 5.866 1.637 1.00 0.00 N ATOM 724 CA GLY A 51 15.073 7.152 1.396 1.00 0.00 C ATOM 725 C GLY A 51 14.097 8.306 1.517 1.00 0.00 C ATOM 726 O GLY A 51 14.483 9.420 1.875 1.00 0.00 O ATOM 0 H GLY A 51 14.128 5.379 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.888 7.293 2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.514 7.156 0.399 1.00 0.00 H new ATOM 730 N LEU A 52 12.830 8.041 1.218 1.00 0.00 N ATOM 731 CA LEU A 52 11.797 9.068 1.294 1.00 0.00 C ATOM 732 C LEU A 52 11.550 9.488 2.740 1.00 0.00 C ATOM 733 O LEU A 52 11.847 8.740 3.672 1.00 0.00 O ATOM 734 CB LEU A 52 10.496 8.558 0.671 1.00 0.00 C ATOM 735 CG LEU A 52 10.318 8.823 -0.825 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.500 7.716 -1.470 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.660 10.177 -1.051 1.00 0.00 C ATOM 0 H LEU A 52 12.494 7.125 0.921 1.00 0.00 H new ATOM 0 HA LEU A 52 12.144 9.938 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.433 7.483 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.660 9.013 1.202 1.00 0.00 H new ATOM 0 HG LEU A 52 11.303 8.837 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.384 7.922 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.011 6.762 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.517 7.669 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.541 10.350 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.682 10.191 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.285 10.961 -0.624 1.00 0.00 H new ATOM 749 N LEU A 53 11.005 10.686 2.918 1.00 0.00 N ATOM 750 CA LEU A 53 10.717 11.204 4.251 1.00 0.00 C ATOM 751 C LEU A 53 9.972 10.169 5.088 1.00 0.00 C ATOM 752 O LEU A 53 9.667 9.076 4.613 1.00 0.00 O ATOM 753 CB LEU A 53 9.892 12.488 4.152 1.00 0.00 C ATOM 754 CG LEU A 53 8.438 12.318 3.712 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.328 11.255 2.630 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.557 11.964 4.900 1.00 0.00 C ATOM 0 H LEU A 53 10.754 11.317 2.157 1.00 0.00 H new ATOM 0 HA LEU A 53 11.665 11.425 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.901 12.978 5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.387 13.161 3.452 1.00 0.00 H new ATOM 0 HG LEU A 53 8.092 13.266 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.286 11.148 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.926 11.550 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.694 10.304 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.526 11.847 4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.903 11.030 5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.610 12.760 5.642 1.00 0.00 H new ATOM 768 N GLU A 54 9.682 10.524 6.336 1.00 0.00 N ATOM 769 CA GLU A 54 8.971 9.625 7.239 1.00 0.00 C ATOM 770 C GLU A 54 7.598 10.187 7.595 1.00 0.00 C ATOM 771 O GLU A 54 7.335 11.383 7.466 1.00 0.00 O ATOM 772 CB GLU A 54 9.787 9.396 8.513 1.00 0.00 C ATOM 773 CG GLU A 54 10.811 8.280 8.387 1.00 0.00 C ATOM 774 CD GLU A 54 11.547 8.014 9.686 1.00 0.00 C ATOM 775 OE1 GLU A 54 12.433 8.818 10.041 1.00 0.00 O ATOM 776 OE2 GLU A 54 11.235 7.002 10.348 1.00 0.00 O ATOM 0 H GLU A 54 9.928 11.426 6.744 1.00 0.00 H new ATOM 0 HA GLU A 54 8.833 8.672 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.300 10.321 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.107 9.163 9.333 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.310 7.367 8.064 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.532 8.539 7.612 1.00 0.00 H new ATOM 783 N PRO A 55 6.699 9.303 8.055 1.00 0.00 N ATOM 784 CA PRO A 55 5.338 9.687 8.440 1.00 0.00 C ATOM 785 C PRO A 55 5.309 10.527 9.712 1.00 0.00 C ATOM 786 O PRO A 55 4.243 10.814 10.254 1.00 0.00 O ATOM 787 CB PRO A 55 4.642 8.343 8.670 1.00 0.00 C ATOM 788 CG PRO A 55 5.743 7.401 9.014 1.00 0.00 C ATOM 789 CD PRO A 55 6.943 7.862 8.234 1.00 0.00 C ATOM 0 HA PRO A 55 4.860 10.306 7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.911 8.409 9.476 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.106 8.017 7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.946 7.413 10.085 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.477 6.377 8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.870 7.675 8.776 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.023 7.346 7.277 1.00 0.00 H new ATOM 797 N SER A 56 6.489 10.917 10.184 1.00 0.00 N ATOM 798 CA SER A 56 6.600 11.720 11.396 1.00 0.00 C ATOM 799 C SER A 56 5.389 12.636 11.553 1.00 0.00 C ATOM 800 O SER A 56 4.910 12.864 12.663 1.00 0.00 O ATOM 801 CB SER A 56 7.882 12.553 11.365 1.00 0.00 C ATOM 802 OG SER A 56 9.018 11.750 11.635 1.00 0.00 O ATOM 0 H SER A 56 7.381 10.690 9.745 1.00 0.00 H new ATOM 0 HA SER A 56 6.635 11.043 12.249 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.990 13.024 10.388 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.816 13.355 12.100 1.00 0.00 H new ATOM 0 HG SER A 56 9.825 12.305 11.608 1.00 0.00 H new ATOM 808 N GLU A 57 4.900 13.158 10.432 1.00 0.00 N ATOM 809 CA GLU A 57 3.747 14.050 10.444 1.00 0.00 C ATOM 810 C GLU A 57 2.445 13.254 10.452 1.00 0.00 C ATOM 811 O GLU A 57 1.526 13.553 11.217 1.00 0.00 O ATOM 812 CB GLU A 57 3.781 14.982 9.231 1.00 0.00 C ATOM 813 CG GLU A 57 5.076 15.767 9.104 1.00 0.00 C ATOM 814 CD GLU A 57 5.171 16.902 10.103 1.00 0.00 C ATOM 815 OE1 GLU A 57 5.666 16.663 11.226 1.00 0.00 O ATOM 816 OE2 GLU A 57 4.751 18.029 9.766 1.00 0.00 O ATOM 0 H GLU A 57 5.285 12.978 9.505 1.00 0.00 H new ATOM 0 HA GLU A 57 3.793 14.649 11.353 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.633 14.393 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.947 15.681 9.297 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.920 15.092 9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.155 16.170 8.094 1.00 0.00 H new ATOM 823 N LEU A 58 2.372 12.241 9.595 1.00 0.00 N ATOM 824 CA LEU A 58 1.183 11.401 9.503 1.00 0.00 C ATOM 825 C LEU A 58 0.738 10.933 10.883 1.00 0.00 C ATOM 826 O LEU A 58 -0.458 10.820 11.155 1.00 0.00 O ATOM 827 CB LEU A 58 1.456 10.193 8.605 1.00 0.00 C ATOM 828 CG LEU A 58 1.153 10.379 7.118 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.060 11.441 6.516 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.305 9.061 6.373 1.00 0.00 C ATOM 0 H LEU A 58 3.122 11.982 8.954 1.00 0.00 H new ATOM 0 HA LEU A 58 0.381 11.997 9.067 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.505 9.918 8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.868 9.352 8.973 1.00 0.00 H new ATOM 0 HG LEU A 58 0.120 10.713 7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.829 11.559 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.901 12.389 7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.101 11.137 6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.085 9.213 5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.326 8.697 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.612 8.328 6.786 1.00 0.00 H new ATOM 842 N GLN A 59 1.706 10.664 11.753 1.00 0.00 N ATOM 843 CA GLN A 59 1.413 10.209 13.107 1.00 0.00 C ATOM 844 C GLN A 59 0.182 10.917 13.664 1.00 0.00 C ATOM 845 O GLN A 59 -0.616 10.319 14.385 1.00 0.00 O ATOM 846 CB GLN A 59 2.614 10.455 14.022 1.00 0.00 C ATOM 847 CG GLN A 59 3.730 9.437 13.847 1.00 0.00 C ATOM 848 CD GLN A 59 4.668 9.389 15.037 1.00 0.00 C ATOM 849 OE1 GLN A 59 4.839 10.381 15.747 1.00 0.00 O ATOM 850 NE2 GLN A 59 5.281 8.234 15.262 1.00 0.00 N ATOM 0 H GLN A 59 2.700 10.753 11.544 1.00 0.00 H new ATOM 0 HA GLN A 59 1.209 9.139 13.067 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.009 11.452 13.829 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.279 10.440 15.059 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.295 8.450 13.692 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.300 9.679 12.950 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.110 7.438 14.648 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.923 8.142 16.049 1.00 0.00 H new ATOM 859 N GLY A 60 0.034 12.194 13.325 1.00 0.00 N ATOM 860 CA GLY A 60 -1.102 12.962 13.800 1.00 0.00 C ATOM 861 C GLY A 60 -2.238 12.995 12.799 1.00 0.00 C ATOM 862 O GLY A 60 -3.404 12.841 13.166 1.00 0.00 O ATOM 0 H GLY A 60 0.681 12.711 12.729 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.460 12.534 14.737 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.783 13.981 14.016 1.00 0.00 H new ATOM 866 N LEU A 61 -1.901 13.200 11.530 1.00 0.00 N ATOM 867 CA LEU A 61 -2.903 13.255 10.471 1.00 0.00 C ATOM 868 C LEU A 61 -4.012 12.236 10.717 1.00 0.00 C ATOM 869 O LEU A 61 -3.800 11.220 11.379 1.00 0.00 O ATOM 870 CB LEU A 61 -2.251 12.999 9.111 1.00 0.00 C ATOM 871 CG LEU A 61 -1.376 14.127 8.564 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.725 13.710 7.255 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.197 15.395 8.374 1.00 0.00 C ATOM 0 H LEU A 61 -0.942 13.331 11.210 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.344 14.252 10.473 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.642 12.098 9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.038 12.793 8.386 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.588 14.334 9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.106 14.525 6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.104 12.830 7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.498 13.475 6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.558 16.187 7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.007 15.202 7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.615 15.705 9.332 1.00 0.00 H new ATOM 885 N GLY A 62 -5.194 12.512 10.176 1.00 0.00 N ATOM 886 CA GLY A 62 -6.317 11.610 10.345 1.00 0.00 C ATOM 887 C GLY A 62 -6.257 10.426 9.400 1.00 0.00 C ATOM 888 O GLY A 62 -5.285 10.259 8.664 1.00 0.00 O ATOM 0 H GLY A 62 -5.394 13.345 9.623 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.338 11.249 11.373 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.246 12.156 10.180 1.00 0.00 H new ATOM 892 N ALA A 63 -7.299 9.601 9.420 1.00 0.00 N ATOM 893 CA ALA A 63 -7.361 8.428 8.558 1.00 0.00 C ATOM 894 C ALA A 63 -7.212 8.816 7.091 1.00 0.00 C ATOM 895 O ALA A 63 -6.364 8.275 6.378 1.00 0.00 O ATOM 896 CB ALA A 63 -8.668 7.680 8.777 1.00 0.00 C ATOM 0 H ALA A 63 -8.112 9.724 10.024 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.531 7.772 8.820 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.700 6.806 8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.735 7.361 9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.506 8.337 8.545 1.00 0.00 H new ATOM 902 N LEU A 64 -8.041 9.753 6.644 1.00 0.00 N ATOM 903 CA LEU A 64 -8.002 10.213 5.261 1.00 0.00 C ATOM 904 C LEU A 64 -6.691 10.935 4.964 1.00 0.00 C ATOM 905 O LEU A 64 -6.003 10.619 3.995 1.00 0.00 O ATOM 906 CB LEU A 64 -9.184 11.140 4.977 1.00 0.00 C ATOM 907 CG LEU A 64 -9.775 11.064 3.569 1.00 0.00 C ATOM 908 CD1 LEU A 64 -10.123 9.626 3.214 1.00 0.00 C ATOM 909 CD2 LEU A 64 -11.002 11.956 3.456 1.00 0.00 C ATOM 0 H LEU A 64 -8.749 10.209 7.220 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.070 9.340 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.975 10.917 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.867 12.166 5.161 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.026 11.421 2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.542 9.591 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.222 9.013 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.854 9.242 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.409 11.889 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.755 11.631 4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.722 12.988 3.666 1.00 0.00 H new ATOM 921 N GLU A 65 -6.352 11.907 5.807 1.00 0.00 N ATOM 922 CA GLU A 65 -5.123 12.672 5.634 1.00 0.00 C ATOM 923 C GLU A 65 -3.942 11.749 5.352 1.00 0.00 C ATOM 924 O GLU A 65 -2.993 12.130 4.667 1.00 0.00 O ATOM 925 CB GLU A 65 -4.842 13.512 6.882 1.00 0.00 C ATOM 926 CG GLU A 65 -5.781 14.695 7.044 1.00 0.00 C ATOM 927 CD GLU A 65 -5.611 15.729 5.948 1.00 0.00 C ATOM 928 OE1 GLU A 65 -4.467 16.178 5.727 1.00 0.00 O ATOM 929 OE2 GLU A 65 -6.624 16.088 5.311 1.00 0.00 O ATOM 0 H GLU A 65 -6.911 12.182 6.615 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.254 13.335 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.919 12.875 7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.816 13.877 6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.811 14.339 7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.604 15.164 8.012 1.00 0.00 H new ATOM 936 N ALA A 66 -4.008 10.533 5.885 1.00 0.00 N ATOM 937 CA ALA A 66 -2.945 9.554 5.690 1.00 0.00 C ATOM 938 C ALA A 66 -2.911 9.062 4.248 1.00 0.00 C ATOM 939 O ALA A 66 -1.986 9.370 3.496 1.00 0.00 O ATOM 940 CB ALA A 66 -3.124 8.384 6.646 1.00 0.00 C ATOM 0 H ALA A 66 -4.786 10.202 6.455 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.993 10.040 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.324 7.661 6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.091 8.746 7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.086 7.906 6.460 1.00 0.00 H new ATOM 946 N THR A 67 -3.927 8.293 3.865 1.00 0.00 N ATOM 947 CA THR A 67 -4.012 7.756 2.513 1.00 0.00 C ATOM 948 C THR A 67 -3.591 8.795 1.481 1.00 0.00 C ATOM 949 O THR A 67 -2.990 8.461 0.460 1.00 0.00 O ATOM 950 CB THR A 67 -5.440 7.277 2.189 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.934 6.454 3.252 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.464 6.496 0.883 1.00 0.00 C ATOM 0 H THR A 67 -4.702 8.029 4.473 1.00 0.00 H new ATOM 0 HA THR A 67 -3.331 6.906 2.467 1.00 0.00 H new ATOM 0 HB THR A 67 -6.079 8.154 2.083 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.843 6.155 3.039 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.482 6.168 0.674 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.115 7.134 0.071 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.812 5.626 0.967 1.00 0.00 H new ATOM 960 N ALA A 68 -3.907 10.056 1.754 1.00 0.00 N ATOM 961 CA ALA A 68 -3.558 11.144 0.850 1.00 0.00 C ATOM 962 C ALA A 68 -2.074 11.113 0.499 1.00 0.00 C ATOM 963 O ALA A 68 -1.704 11.122 -0.674 1.00 0.00 O ATOM 964 CB ALA A 68 -3.928 12.484 1.469 1.00 0.00 C ATOM 0 H ALA A 68 -4.404 10.349 2.595 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.125 11.013 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.662 13.288 0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.000 12.512 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.387 12.613 2.407 1.00 0.00 H new ATOM 970 N TRP A 69 -1.231 11.077 1.524 1.00 0.00 N ATOM 971 CA TRP A 69 0.215 11.044 1.324 1.00 0.00 C ATOM 972 C TRP A 69 0.619 9.842 0.477 1.00 0.00 C ATOM 973 O TRP A 69 1.185 9.997 -0.605 1.00 0.00 O ATOM 974 CB TRP A 69 0.936 11.000 2.671 1.00 0.00 C ATOM 975 CG TRP A 69 2.423 10.866 2.545 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.331 11.879 2.430 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.174 9.647 2.519 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.601 11.364 2.333 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.533 9.997 2.387 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.832 8.294 2.597 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.544 9.043 2.330 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.838 7.348 2.540 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.181 7.726 2.408 1.00 0.00 C ATOM 0 H TRP A 69 -1.522 11.070 2.502 1.00 0.00 H new ATOM 0 HA TRP A 69 0.505 11.952 0.795 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.706 11.909 3.228 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.551 10.163 3.254 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.087 12.931 2.417 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.456 11.911 2.236 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.800 7.993 2.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.580 9.332 2.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.585 6.300 2.598 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.944 6.963 2.367 1.00 0.00 H new ATOM 994 N ALA A 70 0.327 8.646 0.976 1.00 0.00 N ATOM 995 CA ALA A 70 0.659 7.419 0.263 1.00 0.00 C ATOM 996 C ALA A 70 0.395 7.563 -1.231 1.00 0.00 C ATOM 997 O ALA A 70 1.277 7.315 -2.054 1.00 0.00 O ATOM 998 CB ALA A 70 -0.132 6.249 0.831 1.00 0.00 C ATOM 0 H ALA A 70 -0.139 8.500 1.872 1.00 0.00 H new ATOM 0 HA ALA A 70 1.723 7.225 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.125 5.339 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.110 6.124 1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.199 6.445 0.724 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.823 7.965 -1.575 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.203 8.142 -2.973 1.00 0.00 C ATOM 1006 C LEU A 71 -0.303 9.167 -3.656 1.00 0.00 C ATOM 1007 O LEU A 71 -0.059 9.089 -4.861 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.665 8.584 -3.073 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.712 7.503 -2.804 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -4.990 8.122 -2.259 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.998 6.712 -4.072 1.00 0.00 C ATOM 0 H LEU A 71 -1.564 8.175 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.083 7.185 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.826 9.401 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.835 8.986 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.316 6.818 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.724 7.338 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.773 8.644 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.390 8.829 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.745 5.947 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.373 7.384 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.080 6.237 -4.420 1.00 0.00 H new ATOM 1023 N LYS A 72 0.190 10.125 -2.881 1.00 0.00 N ATOM 1024 CA LYS A 72 1.067 11.163 -3.408 1.00 0.00 C ATOM 1025 C LYS A 72 2.478 10.626 -3.625 1.00 0.00 C ATOM 1026 O LYS A 72 2.923 10.461 -4.761 1.00 0.00 O ATOM 1027 CB LYS A 72 1.106 12.360 -2.456 1.00 0.00 C ATOM 1028 CG LYS A 72 1.489 13.665 -3.133 1.00 0.00 C ATOM 1029 CD LYS A 72 2.105 14.644 -2.149 1.00 0.00 C ATOM 1030 CE LYS A 72 3.600 14.409 -1.992 1.00 0.00 C ATOM 1031 NZ LYS A 72 4.373 14.971 -3.134 1.00 0.00 N ATOM 0 H LYS A 72 -0.003 10.205 -1.883 1.00 0.00 H new ATOM 0 HA LYS A 72 0.668 11.485 -4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.127 12.476 -1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.817 12.154 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.196 13.464 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.606 14.113 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.930 15.664 -2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.616 14.544 -1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.943 14.863 -1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.793 13.339 -1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.072 14.272 -3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.724 15.198 -3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.864 15.836 -2.829 1.00 0.00 H new ATOM 1045 N VAL A 73 3.177 10.353 -2.528 1.00 0.00 N ATOM 1046 CA VAL A 73 4.537 9.832 -2.597 1.00 0.00 C ATOM 1047 C VAL A 73 4.625 8.653 -3.561 1.00 0.00 C ATOM 1048 O VAL A 73 5.663 8.420 -4.179 1.00 0.00 O ATOM 1049 CB VAL A 73 5.039 9.386 -1.211 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.293 8.537 -1.346 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.296 10.595 -0.324 1.00 0.00 C ATOM 0 H VAL A 73 2.824 10.484 -1.580 1.00 0.00 H new ATOM 0 HA VAL A 73 5.169 10.643 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 73 4.266 8.777 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.633 8.231 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.071 7.653 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.075 9.118 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.650 10.262 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.051 11.231 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.372 11.159 -0.201 1.00 0.00 H new ATOM 1061 N ALA A 74 3.528 7.913 -3.684 1.00 0.00 N ATOM 1062 CA ALA A 74 3.480 6.759 -4.573 1.00 0.00 C ATOM 1063 C ALA A 74 3.311 7.193 -6.026 1.00 0.00 C ATOM 1064 O ALA A 74 3.891 6.597 -6.932 1.00 0.00 O ATOM 1065 CB ALA A 74 2.351 5.825 -4.166 1.00 0.00 C ATOM 0 H ALA A 74 2.660 8.092 -3.179 1.00 0.00 H new ATOM 0 HA ALA A 74 4.427 6.226 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.327 4.968 -4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.514 5.480 -3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.401 6.356 -4.222 1.00 0.00 H new ATOM 1071 N GLU A 75 2.512 8.235 -6.239 1.00 0.00 N ATOM 1072 CA GLU A 75 2.267 8.746 -7.582 1.00 0.00 C ATOM 1073 C GLU A 75 3.410 9.648 -8.038 1.00 0.00 C ATOM 1074 O GLU A 75 3.497 10.014 -9.210 1.00 0.00 O ATOM 1075 CB GLU A 75 0.947 9.519 -7.624 1.00 0.00 C ATOM 1076 CG GLU A 75 0.597 10.051 -9.004 1.00 0.00 C ATOM 1077 CD GLU A 75 1.320 11.344 -9.331 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.563 12.140 -8.400 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.642 11.558 -10.518 1.00 0.00 O ATOM 0 H GLU A 75 2.024 8.741 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 75 2.205 7.895 -8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.143 8.868 -7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.002 10.354 -6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.847 9.300 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.479 10.215 -9.064 1.00 0.00 H new ATOM 1086 N ASN A 76 4.287 10.001 -7.103 1.00 0.00 N ATOM 1087 CA ASN A 76 5.426 10.861 -7.408 1.00 0.00 C ATOM 1088 C ASN A 76 6.712 10.046 -7.505 1.00 0.00 C ATOM 1089 O ASN A 76 7.326 9.963 -8.568 1.00 0.00 O ATOM 1090 CB ASN A 76 5.574 11.944 -6.338 1.00 0.00 C ATOM 1091 CG ASN A 76 4.707 13.157 -6.618 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.902 13.856 -7.613 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.744 13.410 -5.740 1.00 0.00 N ATOM 0 H ASN A 76 4.231 9.705 -6.128 1.00 0.00 H new ATOM 0 HA ASN A 76 5.244 11.335 -8.372 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.309 11.529 -5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.618 12.253 -6.279 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.128 14.212 -5.875 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.620 12.803 -4.930 1.00 0.00 H new ATOM 1100 N GLU A 77 7.111 9.445 -6.388 1.00 0.00 N ATOM 1101 CA GLU A 77 8.324 8.637 -6.348 1.00 0.00 C ATOM 1102 C GLU A 77 8.119 7.312 -7.075 1.00 0.00 C ATOM 1103 O GLU A 77 8.736 7.056 -8.110 1.00 0.00 O ATOM 1104 CB GLU A 77 8.742 8.377 -4.899 1.00 0.00 C ATOM 1105 CG GLU A 77 9.686 9.428 -4.340 1.00 0.00 C ATOM 1106 CD GLU A 77 10.904 9.645 -5.217 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.859 8.848 -5.113 1.00 0.00 O ATOM 1108 OE2 GLU A 77 10.901 10.611 -6.009 1.00 0.00 O ATOM 0 H GLU A 77 6.612 9.502 -5.500 1.00 0.00 H new ATOM 0 HA GLU A 77 9.116 9.190 -6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.850 8.333 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.222 7.400 -4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.150 10.371 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.010 9.127 -3.344 1.00 0.00 H new ATOM 1115 N LEU A 78 7.249 6.471 -6.527 1.00 0.00 N ATOM 1116 CA LEU A 78 6.961 5.170 -7.122 1.00 0.00 C ATOM 1117 C LEU A 78 6.369 5.330 -8.518 1.00 0.00 C ATOM 1118 O LEU A 78 6.602 4.505 -9.400 1.00 0.00 O ATOM 1119 CB LEU A 78 5.997 4.383 -6.234 1.00 0.00 C ATOM 1120 CG LEU A 78 6.288 4.415 -4.733 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.235 3.630 -3.968 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.678 3.866 -4.448 1.00 0.00 C ATOM 0 H LEU A 78 6.730 6.667 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 78 7.899 4.620 -7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.990 4.767 -6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.999 3.344 -6.562 1.00 0.00 H new ATOM 0 HG LEU A 78 6.253 5.451 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.459 3.664 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.253 4.068 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.237 2.594 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.868 3.896 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.741 2.836 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.422 4.472 -4.966 1.00 0.00 H new ATOM 1134 N GLY A 79 5.603 6.399 -8.713 1.00 0.00 N ATOM 1135 CA GLY A 79 4.992 6.649 -10.005 1.00 0.00 C ATOM 1136 C GLY A 79 3.721 5.849 -10.209 1.00 0.00 C ATOM 1137 O GLY A 79 3.222 5.738 -11.330 1.00 0.00 O ATOM 0 H GLY A 79 5.395 7.097 -7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.768 7.712 -10.098 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.703 6.403 -10.794 1.00 0.00 H new ATOM 1141 N ILE A 80 3.196 5.287 -9.125 1.00 0.00 N ATOM 1142 CA ILE A 80 1.977 4.491 -9.191 1.00 0.00 C ATOM 1143 C ILE A 80 0.738 5.380 -9.152 1.00 0.00 C ATOM 1144 O ILE A 80 0.288 5.791 -8.082 1.00 0.00 O ATOM 1145 CB ILE A 80 1.902 3.477 -8.034 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.217 2.701 -7.924 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.735 2.524 -8.240 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.456 1.749 -9.075 1.00 0.00 C ATOM 0 H ILE A 80 3.596 5.368 -8.190 1.00 0.00 H new ATOM 0 HA ILE A 80 2.005 3.950 -10.137 1.00 0.00 H new ATOM 0 HB ILE A 80 1.742 4.020 -7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.044 3.409 -7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.220 2.138 -6.991 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.695 1.814 -7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.195 3.091 -8.276 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.868 1.984 -9.177 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.406 1.234 -8.930 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.649 1.017 -9.116 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.486 2.309 -10.010 1.00 0.00 H new ATOM 1160 N THR A 81 0.189 5.674 -10.327 1.00 0.00 N ATOM 1161 CA THR A 81 -0.997 6.513 -10.429 1.00 0.00 C ATOM 1162 C THR A 81 -2.098 6.023 -9.496 1.00 0.00 C ATOM 1163 O THR A 81 -2.366 4.826 -9.386 1.00 0.00 O ATOM 1164 CB THR A 81 -1.539 6.548 -11.870 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.556 7.105 -12.750 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.818 7.368 -11.947 1.00 0.00 C ATOM 0 H THR A 81 0.548 5.342 -11.222 1.00 0.00 H new ATOM 0 HA THR A 81 -0.698 7.520 -10.137 1.00 0.00 H new ATOM 0 HB THR A 81 -1.762 5.526 -12.176 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.908 7.122 -13.665 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.182 7.378 -12.974 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.574 6.925 -11.299 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.616 8.389 -11.623 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.754 6.968 -8.806 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.839 6.655 -7.870 1.00 0.00 C ATOM 1176 C PRO A 82 -5.094 6.164 -8.582 1.00 0.00 C ATOM 1177 O PRO A 82 -5.924 6.962 -9.020 1.00 0.00 O ATOM 1178 CB PRO A 82 -4.106 7.994 -7.177 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.651 9.023 -8.153 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.488 8.414 -8.886 1.00 0.00 C ATOM 0 HA PRO A 82 -3.568 5.851 -7.185 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.163 8.113 -6.940 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.558 8.070 -6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.452 9.287 -8.843 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.354 9.940 -7.643 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.440 8.757 -9.919 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.538 8.674 -8.419 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.230 4.847 -8.693 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.386 4.249 -9.350 1.00 0.00 C ATOM 1190 C VAL A 83 -7.647 4.427 -8.512 1.00 0.00 C ATOM 1191 O VAL A 83 -8.758 4.455 -9.042 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.167 2.748 -9.615 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.500 1.932 -8.375 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -6.998 2.290 -10.803 1.00 0.00 C ATOM 0 H VAL A 83 -4.553 4.173 -8.336 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.510 4.764 -10.303 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.115 2.589 -9.853 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.339 0.874 -8.582 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.857 2.243 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.543 2.094 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.831 1.227 -10.976 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.054 2.462 -10.596 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.706 2.852 -11.690 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.467 4.548 -7.200 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.591 4.725 -6.288 1.00 0.00 C ATOM 1206 C VAL A 84 -8.501 6.060 -5.559 1.00 0.00 C ATOM 1207 O VAL A 84 -7.409 6.551 -5.273 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.655 3.589 -5.250 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.751 3.859 -4.230 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -8.876 2.250 -5.938 1.00 0.00 C ATOM 0 H VAL A 84 -6.554 4.527 -6.745 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.497 4.705 -6.894 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.702 3.548 -4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.781 3.046 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.545 4.797 -3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.713 3.927 -4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.919 1.459 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.814 2.276 -6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.054 2.054 -6.626 1.00 0.00 H new ATOM 1220 N SER A 85 -9.657 6.644 -5.260 1.00 0.00 N ATOM 1221 CA SER A 85 -9.710 7.926 -4.566 1.00 0.00 C ATOM 1222 C SER A 85 -9.553 7.735 -3.060 1.00 0.00 C ATOM 1223 O SER A 85 -10.280 6.959 -2.443 1.00 0.00 O ATOM 1224 CB SER A 85 -11.030 8.639 -4.867 1.00 0.00 C ATOM 1225 OG SER A 85 -11.215 8.802 -6.262 1.00 0.00 O ATOM 0 H SER A 85 -10.570 6.250 -5.487 1.00 0.00 H new ATOM 0 HA SER A 85 -8.884 8.540 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.859 8.066 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.040 9.614 -4.379 1.00 0.00 H new ATOM 0 HG SER A 85 -12.066 9.258 -6.428 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.596 8.451 -2.477 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.344 8.363 -1.043 1.00 0.00 C ATOM 1233 C ALA A 86 -9.641 8.154 -0.270 1.00 0.00 C ATOM 1234 O ALA A 86 -9.666 7.447 0.737 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.631 9.615 -0.556 1.00 0.00 C ATOM 0 H ALA A 86 -7.984 9.097 -2.975 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.703 7.500 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.449 9.536 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.680 9.719 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.252 10.488 -0.755 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.716 8.774 -0.746 1.00 0.00 N ATOM 1242 CA GLN A 87 -12.016 8.656 -0.097 1.00 0.00 C ATOM 1243 C GLN A 87 -12.539 7.227 -0.182 1.00 0.00 C ATOM 1244 O GLN A 87 -12.918 6.633 0.828 1.00 0.00 O ATOM 1245 CB GLN A 87 -13.018 9.618 -0.737 1.00 0.00 C ATOM 1246 CG GLN A 87 -14.244 9.881 0.123 1.00 0.00 C ATOM 1247 CD GLN A 87 -15.102 11.011 -0.413 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -14.757 12.185 -0.279 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -16.227 10.660 -1.026 1.00 0.00 N ATOM 0 H GLN A 87 -10.712 9.363 -1.579 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.894 8.916 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.519 10.565 -0.943 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.338 9.211 -1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.843 8.972 0.183 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.927 10.121 1.138 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.473 9.674 -1.114 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.844 11.376 -1.408 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.559 6.680 -1.393 1.00 0.00 N ATOM 1259 CA ALA A 88 -13.035 5.319 -1.609 1.00 0.00 C ATOM 1260 C ALA A 88 -12.248 4.322 -0.767 1.00 0.00 C ATOM 1261 O ALA A 88 -12.819 3.406 -0.175 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.941 4.956 -3.084 1.00 0.00 C ATOM 0 H ALA A 88 -12.251 7.158 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 88 -14.079 5.272 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.299 3.937 -3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.553 5.644 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.903 5.026 -3.411 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.932 4.506 -0.715 1.00 0.00 N ATOM 1269 CA VAL A 89 -10.066 3.622 0.056 1.00 0.00 C ATOM 1270 C VAL A 89 -10.536 3.518 1.503 1.00 0.00 C ATOM 1271 O VAL A 89 -10.849 2.430 1.988 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.605 4.110 0.037 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.765 3.323 1.031 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -8.027 4.000 -1.366 1.00 0.00 C ATOM 0 H VAL A 89 -10.443 5.260 -1.198 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.119 2.639 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.586 5.159 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.736 3.682 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.169 3.457 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.787 2.265 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.994 4.349 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.058 2.960 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.614 4.612 -2.050 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.584 4.656 2.188 1.00 0.00 N ATOM 1285 CA VAL A 90 -11.016 4.694 3.579 1.00 0.00 C ATOM 1286 C VAL A 90 -12.436 4.158 3.727 1.00 0.00 C ATOM 1287 O VAL A 90 -12.656 3.118 4.346 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.956 6.125 4.146 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -11.552 6.169 5.547 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -9.524 6.636 4.151 1.00 0.00 C ATOM 0 H VAL A 90 -10.329 5.565 1.801 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.331 4.060 4.142 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.548 6.777 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.501 7.187 5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.593 5.846 5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.989 5.505 6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.500 7.648 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.907 5.984 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.136 6.643 3.132 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.396 4.877 3.155 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.795 4.473 3.221 1.00 0.00 C ATOM 1302 C ALA A 91 -14.956 2.995 2.882 1.00 0.00 C ATOM 1303 O ALA A 91 -15.964 2.377 3.221 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.636 5.327 2.283 1.00 0.00 C ATOM 0 H ALA A 91 -13.231 5.742 2.641 1.00 0.00 H new ATOM 0 HA ALA A 91 -15.144 4.624 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.678 5.014 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.554 6.375 2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.278 5.205 1.261 1.00 0.00 H new ATOM 1310 N GLY A 92 -13.956 2.435 2.209 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.007 1.034 1.834 1.00 0.00 C ATOM 1312 C GLY A 92 -15.209 0.709 0.970 1.00 0.00 C ATOM 1313 O GLY A 92 -15.653 -0.439 0.918 1.00 0.00 O ATOM 0 H GLY A 92 -13.111 2.926 1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.096 0.771 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.034 0.421 2.735 1.00 0.00 H new ATOM 1317 N SER A 93 -15.739 1.721 0.291 1.00 0.00 N ATOM 1318 CA SER A 93 -16.900 1.538 -0.572 1.00 0.00 C ATOM 1319 C SER A 93 -16.528 0.750 -1.825 1.00 0.00 C ATOM 1320 O SER A 93 -17.274 -0.126 -2.265 1.00 0.00 O ATOM 1321 CB SER A 93 -17.488 2.894 -0.966 1.00 0.00 C ATOM 1322 OG SER A 93 -16.905 3.376 -2.164 1.00 0.00 O ATOM 0 H SER A 93 -15.383 2.676 0.322 1.00 0.00 H new ATOM 0 HA SER A 93 -17.648 0.972 -0.017 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.567 2.802 -1.094 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.323 3.612 -0.163 1.00 0.00 H new ATOM 0 HG SER A 93 -17.300 4.243 -2.394 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.371 1.066 -2.393 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.897 0.388 -3.594 1.00 0.00 C ATOM 1330 C ASP A 94 -13.718 -0.525 -3.274 1.00 0.00 C ATOM 1331 O ASP A 94 -12.554 -0.130 -3.361 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.492 1.410 -4.657 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.611 2.381 -4.982 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -16.739 1.919 -5.246 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -15.356 3.605 -4.973 1.00 0.00 O ATOM 0 H ASP A 94 -14.743 1.788 -2.041 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.712 -0.223 -3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.622 1.966 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.194 0.887 -5.565 1.00 0.00 H new ATOM 1340 N PRO A 95 -14.023 -1.774 -2.893 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.001 -2.768 -2.550 1.00 0.00 C ATOM 1342 C PRO A 95 -12.210 -3.229 -3.770 1.00 0.00 C ATOM 1343 O PRO A 95 -11.054 -3.639 -3.653 1.00 0.00 O ATOM 1344 CB PRO A 95 -13.816 -3.929 -1.972 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.165 -3.788 -2.587 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.388 -2.312 -2.766 1.00 0.00 C ATOM 0 HA PRO A 95 -12.256 -2.367 -1.862 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.366 -4.890 -2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.869 -3.873 -0.885 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.214 -4.309 -3.543 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.933 -4.224 -1.947 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.987 -2.101 -3.652 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.913 -1.879 -1.915 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.838 -3.159 -4.938 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.192 -3.569 -6.180 1.00 0.00 C ATOM 1356 C LEU A 96 -11.014 -2.658 -6.507 1.00 0.00 C ATOM 1357 O LEU A 96 -9.920 -3.128 -6.818 1.00 0.00 O ATOM 1358 CB LEU A 96 -13.199 -3.553 -7.332 1.00 0.00 C ATOM 1359 CG LEU A 96 -14.195 -4.711 -7.369 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.450 -4.362 -6.586 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.542 -5.070 -8.806 1.00 0.00 C ATOM 0 H LEU A 96 -13.794 -2.822 -5.051 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.817 -4.584 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.760 -2.619 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.646 -3.546 -8.271 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.731 -5.579 -6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.147 -5.199 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.186 -4.156 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.918 -3.480 -7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.252 -5.897 -8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.986 -4.206 -9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.636 -5.365 -9.336 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.244 -1.351 -6.432 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.191 -0.393 -6.719 1.00 0.00 C ATOM 1375 C GLY A 97 -8.923 -0.674 -5.939 1.00 0.00 C ATOM 1376 O GLY A 97 -7.872 -0.944 -6.522 1.00 0.00 O ATOM 0 H GLY A 97 -12.141 -0.938 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.969 -0.411 -7.786 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.544 0.611 -6.484 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.019 -0.609 -4.615 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.868 -0.857 -3.752 1.00 0.00 C ATOM 1382 C LEU A 98 -7.047 -2.037 -4.264 1.00 0.00 C ATOM 1383 O LEU A 98 -5.851 -1.905 -4.525 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.331 -1.127 -2.319 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.243 -1.553 -1.332 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.180 -0.473 -1.211 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.850 -1.863 0.029 1.00 0.00 C ATOM 0 H LEU A 98 -9.881 -0.387 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.238 0.032 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.808 -0.225 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.095 -1.904 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.769 -2.459 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.414 -0.794 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.725 -0.300 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.638 0.450 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.062 -2.164 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.350 -0.975 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.573 -2.672 -0.071 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.697 -3.186 -4.406 1.00 0.00 N ATOM 1400 CA ILE A 99 -7.028 -4.387 -4.890 1.00 0.00 C ATOM 1401 C ILE A 99 -6.182 -4.085 -6.123 1.00 0.00 C ATOM 1402 O ILE A 99 -5.022 -4.490 -6.207 1.00 0.00 O ATOM 1403 CB ILE A 99 -8.039 -5.496 -5.235 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.823 -5.908 -3.988 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.324 -6.696 -5.838 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -10.098 -6.660 -4.295 1.00 0.00 C ATOM 0 H ILE A 99 -8.687 -3.311 -4.193 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.382 -4.734 -4.084 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.743 -5.109 -5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.187 -6.530 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.067 -5.016 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.052 -7.471 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.807 -6.392 -6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.600 -7.086 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.601 -6.920 -3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.754 -6.033 -4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.860 -7.571 -4.845 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.769 -3.369 -7.076 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.068 -3.010 -8.303 1.00 0.00 C ATOM 1420 C ALA A 100 -4.926 -2.040 -8.019 1.00 0.00 C ATOM 1421 O ALA A 100 -3.823 -2.193 -8.544 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.038 -2.406 -9.307 1.00 0.00 C ATOM 0 H ALA A 100 -7.728 -3.026 -7.022 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.641 -3.919 -8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.501 -2.143 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.817 -3.131 -9.542 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.492 -1.511 -8.881 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.197 -1.043 -7.184 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.193 -0.045 -6.832 1.00 0.00 C ATOM 1430 C TYR A 101 -2.915 -0.712 -6.332 1.00 0.00 C ATOM 1431 O TYR A 101 -1.817 -0.407 -6.798 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.738 0.903 -5.764 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.796 2.034 -5.421 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.091 2.703 -6.415 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.609 2.434 -4.103 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.228 3.737 -6.106 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.749 3.467 -3.785 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.061 4.116 -4.790 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.202 5.145 -4.477 1.00 0.00 O ATOM 0 H TYR A 101 -6.104 -0.904 -6.738 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.956 0.527 -7.729 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.684 1.321 -6.110 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.953 0.333 -4.860 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.220 2.410 -7.446 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.146 1.928 -3.314 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.687 4.246 -6.890 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.616 3.765 -2.756 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.193 5.798 -5.208 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.067 -1.626 -5.380 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.926 -2.339 -4.814 1.00 0.00 C ATOM 1451 C LEU A 102 -1.209 -3.156 -5.885 1.00 0.00 C ATOM 1452 O LEU A 102 0.017 -3.123 -5.987 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.385 -3.255 -3.679 1.00 0.00 C ATOM 1454 CG LEU A 102 -2.979 -2.561 -2.453 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.390 -3.584 -1.406 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -1.984 -1.567 -1.869 1.00 0.00 C ATOM 0 H LEU A 102 -3.969 -1.891 -4.984 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.228 -1.602 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.128 -3.947 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.533 -3.854 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.869 -2.014 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.810 -3.071 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.137 -4.256 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.517 -4.160 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.423 -1.082 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.076 -2.092 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.740 -0.814 -2.618 1.00 0.00 H new ATOM 1468 N SER A 103 -1.984 -3.885 -6.682 1.00 0.00 N ATOM 1469 CA SER A 103 -1.423 -4.712 -7.744 1.00 0.00 C ATOM 1470 C SER A 103 -0.277 -3.990 -8.447 1.00 0.00 C ATOM 1471 O SER A 103 0.708 -4.610 -8.851 1.00 0.00 O ATOM 1472 CB SER A 103 -2.507 -5.081 -8.760 1.00 0.00 C ATOM 1473 OG SER A 103 -2.088 -6.152 -9.586 1.00 0.00 O ATOM 0 H SER A 103 -3.001 -3.920 -6.613 1.00 0.00 H new ATOM 0 HA SER A 103 -1.033 -5.624 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.422 -5.358 -8.236 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.743 -4.213 -9.376 1.00 0.00 H new ATOM 0 HG SER A 103 -2.798 -6.370 -10.225 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.413 -2.675 -8.590 1.00 0.00 N ATOM 1480 CA HIS A 104 0.611 -1.867 -9.242 1.00 0.00 C ATOM 1481 C HIS A 104 1.921 -1.914 -8.461 1.00 0.00 C ATOM 1482 O HIS A 104 2.988 -2.140 -9.032 1.00 0.00 O ATOM 1483 CB HIS A 104 0.137 -0.419 -9.380 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.216 -0.290 -10.009 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.714 0.906 -10.480 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.175 -1.214 -10.244 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.924 0.712 -10.977 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -3.226 -0.567 -10.847 1.00 0.00 N ATOM 0 H HIS A 104 -1.222 -2.147 -8.263 1.00 0.00 H new ATOM 0 HA HIS A 104 0.786 -2.280 -10.235 1.00 0.00 H new ATOM 0 HB2 HIS A 104 0.116 0.043 -8.393 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.861 0.136 -9.977 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.124 -2.265 -10.002 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -3.557 1.470 -11.414 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -4.098 -1.004 -11.146 1.00 0.00 H new ATOM 1497 N PHE A 105 1.832 -1.700 -7.153 1.00 0.00 N ATOM 1498 CA PHE A 105 3.010 -1.715 -6.293 1.00 0.00 C ATOM 1499 C PHE A 105 3.809 -3.000 -6.491 1.00 0.00 C ATOM 1500 O PHE A 105 4.998 -2.962 -6.809 1.00 0.00 O ATOM 1501 CB PHE A 105 2.599 -1.577 -4.826 1.00 0.00 C ATOM 1502 CG PHE A 105 2.264 -0.168 -4.427 1.00 0.00 C ATOM 1503 CD1 PHE A 105 1.131 0.455 -4.924 1.00 0.00 C ATOM 1504 CD2 PHE A 105 3.082 0.533 -3.557 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.819 1.751 -4.559 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.775 1.828 -3.188 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.643 2.439 -3.691 1.00 0.00 C ATOM 0 H PHE A 105 0.956 -1.514 -6.665 1.00 0.00 H new ATOM 0 HA PHE A 105 3.641 -0.869 -6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.735 -2.215 -4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.409 -1.942 -4.194 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.484 -0.078 -5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.970 0.062 -3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.068 2.225 -4.952 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.420 2.363 -2.506 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.403 3.453 -3.406 1.00 0.00 H new ATOM 1517 N HIS A 106 3.148 -4.136 -6.300 1.00 0.00 N ATOM 1518 CA HIS A 106 3.796 -5.434 -6.456 1.00 0.00 C ATOM 1519 C HIS A 106 4.336 -5.604 -7.874 1.00 0.00 C ATOM 1520 O HIS A 106 5.543 -5.720 -8.078 1.00 0.00 O ATOM 1521 CB HIS A 106 2.814 -6.561 -6.133 1.00 0.00 C ATOM 1522 CG HIS A 106 3.461 -7.908 -6.031 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.850 -9.070 -6.455 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.672 -8.274 -5.551 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.658 -10.092 -6.239 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.770 -9.637 -5.691 1.00 0.00 N ATOM 0 H HIS A 106 2.164 -4.185 -6.037 1.00 0.00 H new ATOM 0 HA HIS A 106 4.632 -5.481 -5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.312 -6.336 -5.192 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.045 -6.594 -6.905 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.422 -7.617 -5.135 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.445 -11.125 -6.471 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.571 -10.205 -5.416 1.00 0.00 H new ATOM 1535 N SER A 107 3.432 -5.618 -8.848 1.00 0.00 N ATOM 1536 CA SER A 107 3.817 -5.779 -10.245 1.00 0.00 C ATOM 1537 C SER A 107 5.113 -5.031 -10.540 1.00 0.00 C ATOM 1538 O SER A 107 5.907 -5.451 -11.381 1.00 0.00 O ATOM 1539 CB SER A 107 2.702 -5.276 -11.164 1.00 0.00 C ATOM 1540 OG SER A 107 2.974 -5.597 -12.518 1.00 0.00 O ATOM 0 H SER A 107 2.428 -5.520 -8.696 1.00 0.00 H new ATOM 0 HA SER A 107 3.980 -6.840 -10.432 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.752 -5.720 -10.865 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.597 -4.196 -11.057 1.00 0.00 H new ATOM 0 HG SER A 107 2.246 -5.266 -13.085 1.00 0.00 H new ATOM 1546 N ALA A 108 5.318 -3.918 -9.843 1.00 0.00 N ATOM 1547 CA ALA A 108 6.518 -3.111 -10.029 1.00 0.00 C ATOM 1548 C ALA A 108 7.636 -3.567 -9.098 1.00 0.00 C ATOM 1549 O ALA A 108 8.809 -3.562 -9.472 1.00 0.00 O ATOM 1550 CB ALA A 108 6.205 -1.639 -9.798 1.00 0.00 C ATOM 0 H ALA A 108 4.669 -3.555 -9.145 1.00 0.00 H new ATOM 0 HA ALA A 108 6.859 -3.243 -11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.110 -1.048 -9.940 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.444 -1.313 -10.507 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.837 -1.500 -8.781 1.00 0.00 H new ATOM 1556 N PHE A 109 7.266 -3.962 -7.884 1.00 0.00 N ATOM 1557 CA PHE A 109 8.239 -4.421 -6.900 1.00 0.00 C ATOM 1558 C PHE A 109 8.090 -5.918 -6.643 1.00 0.00 C ATOM 1559 O PHE A 109 8.191 -6.378 -5.505 1.00 0.00 O ATOM 1560 CB PHE A 109 8.073 -3.648 -5.589 1.00 0.00 C ATOM 1561 CG PHE A 109 8.514 -2.215 -5.678 1.00 0.00 C ATOM 1562 CD1 PHE A 109 9.859 -1.887 -5.624 1.00 0.00 C ATOM 1563 CD2 PHE A 109 7.584 -1.197 -5.816 1.00 0.00 C ATOM 1564 CE1 PHE A 109 10.268 -0.569 -5.704 1.00 0.00 C ATOM 1565 CE2 PHE A 109 7.987 0.122 -5.897 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.331 0.437 -5.843 1.00 0.00 C ATOM 0 H PHE A 109 6.299 -3.973 -7.558 1.00 0.00 H new ATOM 0 HA PHE A 109 9.236 -4.237 -7.299 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.026 -3.679 -5.288 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.645 -4.148 -4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.596 -2.669 -5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.532 -1.437 -5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.319 -0.326 -5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 109 7.252 0.906 -6.002 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.649 1.467 -5.909 1.00 0.00 H new ATOM 1576 N LYS A 110 7.845 -6.673 -7.709 1.00 0.00 N ATOM 1577 CA LYS A 110 7.681 -8.118 -7.602 1.00 0.00 C ATOM 1578 C LYS A 110 8.795 -8.848 -8.345 1.00 0.00 C ATOM 1579 O LYS A 110 9.030 -10.035 -8.121 1.00 0.00 O ATOM 1580 CB LYS A 110 6.320 -8.540 -8.159 1.00 0.00 C ATOM 1581 CG LYS A 110 6.234 -8.467 -9.674 1.00 0.00 C ATOM 1582 CD LYS A 110 5.159 -9.394 -10.216 1.00 0.00 C ATOM 1583 CE LYS A 110 4.892 -9.135 -11.692 1.00 0.00 C ATOM 1584 NZ LYS A 110 5.891 -9.817 -12.562 1.00 0.00 N ATOM 0 H LYS A 110 7.756 -6.308 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 110 7.734 -8.388 -6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.107 -9.560 -7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.547 -7.903 -7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.020 -7.443 -9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.198 -8.733 -10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.467 -10.430 -10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.238 -9.256 -9.649 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.891 -9.482 -11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.916 -8.062 -11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.676 -9.617 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.844 -9.467 -12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.851 -10.843 -12.398 1.00 0.00 H new