USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 526 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 61 ASN : amide:sc= 0.44 K(o=0.45,f=-10!) USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= 0.0121 USER MOD Set 2.1: A 52 GLN : amide:sc= 0.774 K(o=0.9,f=-0.01) USER MOD Set 2.2: A 73 THR OG1 : rot 93:sc= 0.125 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.485 F(o=-2.8!,f=-0.48) USER MOD Single : A 9 TYR OH : rot 168:sc= 0.523 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.901 X(o=-0.9,f=-1) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -168:sc= -0.338 (180deg=-0.758) USER MOD Single : A 66 GLN : amide:sc= -0.0375 X(o=-0.037,f=-0.039) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 6 -0.231 -0.147 12.873 1.00 32.33 N ATOM 67 CA GLY A 6 -0.044 -0.202 11.431 1.00 12.03 C ATOM 68 C GLY A 6 0.302 1.158 10.845 1.00 20.13 C ATOM 69 O GLY A 6 0.476 2.128 11.585 1.00 1.02 O ATOM 0 HA2 GLY A 6 0.751 -0.910 11.196 1.00 12.03 H new ATOM 0 HA3 GLY A 6 -0.954 -0.577 10.962 1.00 12.03 H new ATOM 73 N PHE A 7 0.388 1.241 9.522 1.00 4.20 N ATOM 74 CA PHE A 7 0.751 2.492 8.844 1.00 41.22 C ATOM 75 C PHE A 7 -0.212 2.821 7.690 1.00 73.33 C ATOM 76 O PHE A 7 -0.728 1.927 7.016 1.00 35.14 O ATOM 77 CB PHE A 7 2.191 2.401 8.317 1.00 11.33 C ATOM 78 CG PHE A 7 3.214 2.144 9.399 1.00 75.21 C ATOM 79 CD1 PHE A 7 3.525 3.128 10.330 1.00 0.44 C ATOM 80 CD2 PHE A 7 3.860 0.919 9.488 1.00 64.44 C ATOM 81 CE1 PHE A 7 4.457 2.895 11.323 1.00 34.33 C ATOM 82 CE2 PHE A 7 4.793 0.682 10.480 1.00 52.14 C ATOM 83 CZ PHE A 7 5.092 1.669 11.399 1.00 54.34 C ATOM 0 H PHE A 7 0.212 0.458 8.892 1.00 4.20 H new ATOM 0 HA PHE A 7 0.677 3.298 9.574 1.00 41.22 H new ATOM 0 HB2 PHE A 7 2.249 1.603 7.577 1.00 11.33 H new ATOM 0 HB3 PHE A 7 2.441 3.330 7.805 1.00 11.33 H new ATOM 0 HD1 PHE A 7 3.032 4.087 10.277 1.00 0.44 H new ATOM 0 HD2 PHE A 7 3.631 0.142 8.774 1.00 64.44 H new ATOM 0 HE1 PHE A 7 4.689 3.669 12.039 1.00 34.33 H new ATOM 0 HE2 PHE A 7 5.289 -0.276 10.537 1.00 52.14 H new ATOM 0 HZ PHE A 7 5.820 1.484 12.175 1.00 54.34 H new ATOM 93 N GLN A 8 -0.451 4.115 7.478 1.00 55.41 N ATOM 94 CA GLN A 8 -1.328 4.587 6.399 1.00 3.30 C ATOM 95 C GLN A 8 -0.515 5.097 5.197 1.00 41.22 C ATOM 96 O GLN A 8 0.383 5.931 5.345 1.00 74.25 O ATOM 97 CB GLN A 8 -2.248 5.704 6.916 1.00 1.01 C ATOM 98 CG GLN A 8 -3.201 5.264 8.024 1.00 34.10 C ATOM 99 CD GLN A 8 -4.047 6.408 8.564 1.00 64.25 C ATOM 100 OE1 GLN A 8 -4.401 6.341 9.832 1.00 71.44 O flip ATOM 101 NE2 GLN A 8 -4.383 7.344 7.847 1.00 42.10 N flip ATOM 0 H GLN A 8 -0.047 4.863 8.042 1.00 55.41 H new ATOM 0 HA GLN A 8 -1.932 3.743 6.067 1.00 3.30 H new ATOM 0 HB2 GLN A 8 -1.633 6.525 7.285 1.00 1.01 H new ATOM 0 HB3 GLN A 8 -2.832 6.094 6.082 1.00 1.01 H new ATOM 0 HG2 GLN A 8 -3.857 4.482 7.643 1.00 34.10 H new ATOM 0 HG3 GLN A 8 -2.625 4.828 8.840 1.00 34.10 H new ATOM 0 HE21 GLN A 8 -4.093 7.367 6.869 1.00 42.10 H new ATOM 0 HE22 GLN A 8 -4.952 8.100 8.228 1.00 42.10 H new ATOM 110 N TYR A 9 -0.839 4.592 4.008 1.00 21.32 N ATOM 111 CA TYR A 9 -0.176 5.014 2.767 1.00 30.34 C ATOM 112 C TYR A 9 -1.190 5.627 1.791 1.00 0.22 C ATOM 113 O TYR A 9 -2.215 5.021 1.493 1.00 21.53 O ATOM 114 CB TYR A 9 0.533 3.821 2.110 1.00 72.04 C ATOM 115 CG TYR A 9 1.644 3.228 2.956 1.00 71.33 C ATOM 116 CD1 TYR A 9 1.383 2.226 3.886 1.00 15.34 C ATOM 117 CD2 TYR A 9 2.956 3.677 2.830 1.00 14.04 C ATOM 118 CE1 TYR A 9 2.394 1.692 4.663 1.00 64.43 C ATOM 119 CE2 TYR A 9 3.971 3.143 3.602 1.00 21.30 C ATOM 120 CZ TYR A 9 3.683 2.153 4.517 1.00 52.43 C ATOM 121 OH TYR A 9 4.690 1.629 5.293 1.00 12.43 O ATOM 0 H TYR A 9 -1.562 3.885 3.874 1.00 21.32 H new ATOM 0 HA TYR A 9 0.566 5.773 3.017 1.00 30.34 H new ATOM 0 HB2 TYR A 9 -0.203 3.045 1.897 1.00 72.04 H new ATOM 0 HB3 TYR A 9 0.947 4.138 1.153 1.00 72.04 H new ATOM 0 HD1 TYR A 9 0.374 1.860 4.003 1.00 15.34 H new ATOM 0 HD2 TYR A 9 3.185 4.456 2.117 1.00 14.04 H new ATOM 0 HE1 TYR A 9 2.174 0.916 5.382 1.00 64.43 H new ATOM 0 HE2 TYR A 9 4.984 3.500 3.489 1.00 21.30 H new ATOM 0 HH TYR A 9 5.558 1.911 4.936 1.00 12.43 H new ATOM 131 N ARG A 10 -0.903 6.826 1.287 1.00 62.31 N ATOM 132 CA ARG A 10 -1.847 7.537 0.412 1.00 41.32 C ATOM 133 C ARG A 10 -1.506 7.356 -1.078 1.00 13.40 C ATOM 134 O ARG A 10 -0.415 7.714 -1.526 1.00 61.21 O ATOM 135 CB ARG A 10 -1.884 9.031 0.771 1.00 2.24 C ATOM 136 CG ARG A 10 -2.854 9.846 -0.087 1.00 32.33 C ATOM 137 CD ARG A 10 -3.038 11.265 0.442 1.00 4.04 C ATOM 138 NE ARG A 10 -1.790 12.025 0.468 1.00 2.14 N ATOM 139 CZ ARG A 10 -1.671 13.220 0.983 1.00 52.43 C ATOM 140 NH1 ARG A 10 -2.690 13.819 1.519 1.00 12.34 N ATOM 141 NH2 ARG A 10 -0.531 13.819 0.961 1.00 43.00 N ATOM 0 H ARG A 10 -0.032 7.327 1.465 1.00 62.31 H new ATOM 0 HA ARG A 10 -2.833 7.101 0.576 1.00 41.32 H new ATOM 0 HB2 ARG A 10 -2.163 9.137 1.819 1.00 2.24 H new ATOM 0 HB3 ARG A 10 -0.882 9.446 0.665 1.00 2.24 H new ATOM 0 HG2 ARG A 10 -2.484 9.887 -1.111 1.00 32.33 H new ATOM 0 HG3 ARG A 10 -3.821 9.343 -0.117 1.00 32.33 H new ATOM 0 HD2 ARG A 10 -3.764 11.789 -0.180 1.00 4.04 H new ATOM 0 HD3 ARG A 10 -3.453 11.222 1.449 1.00 4.04 H new ATOM 0 HE ARG A 10 -0.960 11.596 0.059 1.00 2.14 H new ATOM 0 HH11 ARG A 10 -3.599 13.357 1.542 1.00 12.34 H new ATOM 0 HH12 ARG A 10 -2.582 14.752 1.917 1.00 12.34 H new ATOM 0 HH21 ARG A 10 0.278 13.361 0.542 1.00 43.00 H new ATOM 0 HH22 ARG A 10 -0.437 14.752 1.363 1.00 43.00 H new ATOM 155 N ALA A 11 -2.454 6.803 -1.837 1.00 5.21 N ATOM 156 CA ALA A 11 -2.293 6.610 -3.284 1.00 64.33 C ATOM 157 C ALA A 11 -2.418 7.942 -4.043 1.00 33.41 C ATOM 158 O ALA A 11 -3.479 8.566 -4.053 1.00 31.31 O ATOM 159 CB ALA A 11 -3.322 5.606 -3.800 1.00 12.04 C ATOM 0 H ALA A 11 -3.349 6.478 -1.472 1.00 5.21 H new ATOM 0 HA ALA A 11 -1.292 6.216 -3.462 1.00 64.33 H new ATOM 0 HB1 ALA A 11 -3.192 5.472 -4.874 1.00 12.04 H new ATOM 0 HB2 ALA A 11 -3.183 4.650 -3.295 1.00 12.04 H new ATOM 0 HB3 ALA A 11 -4.326 5.979 -3.600 1.00 12.04 H new ATOM 165 N LEU A 12 -1.327 8.371 -4.667 1.00 2.54 N ATOM 166 CA LEU A 12 -1.289 9.654 -5.378 1.00 4.21 C ATOM 167 C LEU A 12 -1.881 9.551 -6.792 1.00 75.15 C ATOM 168 O LEU A 12 -2.644 10.420 -7.218 1.00 2.43 O ATOM 169 CB LEU A 12 0.158 10.162 -5.448 1.00 44.35 C ATOM 170 CG LEU A 12 0.843 10.368 -4.086 1.00 33.35 C ATOM 171 CD1 LEU A 12 2.289 10.814 -4.271 1.00 13.44 C ATOM 172 CD2 LEU A 12 0.067 11.376 -3.238 1.00 20.15 C ATOM 0 H LEU A 12 -0.451 7.850 -4.698 1.00 2.54 H new ATOM 0 HA LEU A 12 -1.904 10.361 -4.821 1.00 4.21 H new ATOM 0 HB2 LEU A 12 0.748 9.454 -6.031 1.00 44.35 H new ATOM 0 HB3 LEU A 12 0.169 11.108 -5.990 1.00 44.35 H new ATOM 0 HG LEU A 12 0.848 9.414 -3.559 1.00 33.35 H new ATOM 0 HD11 LEU A 12 2.754 10.954 -3.295 1.00 13.44 H new ATOM 0 HD12 LEU A 12 2.836 10.053 -4.828 1.00 13.44 H new ATOM 0 HD13 LEU A 12 2.312 11.754 -4.822 1.00 13.44 H new ATOM 0 HD21 LEU A 12 0.568 11.507 -2.279 1.00 20.15 H new ATOM 0 HD22 LEU A 12 0.024 12.333 -3.759 1.00 20.15 H new ATOM 0 HD23 LEU A 12 -0.945 11.008 -3.071 1.00 20.15 H new ATOM 184 N TYR A 13 -1.535 8.492 -7.522 1.00 31.22 N ATOM 185 CA TYR A 13 -1.974 8.341 -8.919 1.00 35.32 C ATOM 186 C TYR A 13 -2.858 7.099 -9.117 1.00 33.54 C ATOM 187 O TYR A 13 -2.602 6.045 -8.532 1.00 55.14 O ATOM 188 CB TYR A 13 -0.755 8.272 -9.848 1.00 53.15 C ATOM 189 CG TYR A 13 0.088 9.530 -9.818 1.00 43.45 C ATOM 190 CD1 TYR A 13 -0.284 10.651 -10.551 1.00 61.33 C ATOM 191 CD2 TYR A 13 1.244 9.604 -9.048 1.00 31.21 C ATOM 192 CE1 TYR A 13 0.468 11.806 -10.517 1.00 24.51 C ATOM 193 CE2 TYR A 13 2.003 10.756 -9.011 1.00 32.02 C ATOM 194 CZ TYR A 13 1.611 11.855 -9.746 1.00 25.22 C ATOM 195 OH TYR A 13 2.361 13.008 -9.706 1.00 24.33 O ATOM 0 H TYR A 13 -0.955 7.727 -7.177 1.00 31.22 H new ATOM 0 HA TYR A 13 -2.577 9.214 -9.169 1.00 35.32 H new ATOM 0 HB2 TYR A 13 -0.137 7.421 -9.563 1.00 53.15 H new ATOM 0 HB3 TYR A 13 -1.093 8.093 -10.869 1.00 53.15 H new ATOM 0 HD1 TYR A 13 -1.177 10.617 -11.157 1.00 61.33 H new ATOM 0 HD2 TYR A 13 1.553 8.746 -8.470 1.00 31.21 H new ATOM 0 HE1 TYR A 13 0.164 12.669 -11.091 1.00 24.51 H new ATOM 0 HE2 TYR A 13 2.899 10.797 -8.410 1.00 32.02 H new ATOM 0 HH TYR A 13 3.132 12.876 -9.116 1.00 24.33 H new ATOM 205 N PRO A 14 -3.916 7.207 -9.954 1.00 53.14 N ATOM 206 CA PRO A 14 -4.819 6.079 -10.235 1.00 60.13 C ATOM 207 C PRO A 14 -4.126 4.929 -10.985 1.00 5.11 C ATOM 208 O PRO A 14 -3.566 5.121 -12.070 1.00 40.04 O ATOM 209 CB PRO A 14 -5.926 6.701 -11.102 1.00 15.50 C ATOM 210 CG PRO A 14 -5.309 7.925 -11.695 1.00 5.04 C ATOM 211 CD PRO A 14 -4.318 8.432 -10.678 1.00 32.50 C ATOM 0 HA PRO A 14 -5.187 5.626 -9.314 1.00 60.13 H new ATOM 0 HB2 PRO A 14 -6.256 6.010 -11.878 1.00 15.50 H new ATOM 0 HB3 PRO A 14 -6.803 6.951 -10.504 1.00 15.50 H new ATOM 0 HG2 PRO A 14 -4.815 7.694 -12.638 1.00 5.04 H new ATOM 0 HG3 PRO A 14 -6.067 8.678 -11.909 1.00 5.04 H new ATOM 0 HD2 PRO A 14 -3.465 8.916 -11.154 1.00 32.50 H new ATOM 0 HD3 PRO A 14 -4.768 9.165 -10.009 1.00 32.50 H new ATOM 219 N PHE A 15 -4.178 3.734 -10.404 1.00 60.14 N ATOM 220 CA PHE A 15 -3.568 2.545 -11.000 1.00 35.34 C ATOM 221 C PHE A 15 -4.628 1.490 -11.351 1.00 34.01 C ATOM 222 O PHE A 15 -5.281 0.936 -10.465 1.00 55.13 O ATOM 223 CB PHE A 15 -2.533 1.946 -10.035 1.00 72.44 C ATOM 224 CG PHE A 15 -1.962 0.626 -10.490 1.00 12.13 C ATOM 225 CD1 PHE A 15 -1.071 0.566 -11.552 1.00 74.51 C ATOM 226 CD2 PHE A 15 -2.315 -0.557 -9.853 1.00 15.41 C ATOM 227 CE1 PHE A 15 -0.545 -0.642 -11.970 1.00 44.42 C ATOM 228 CE2 PHE A 15 -1.793 -1.766 -10.268 1.00 14.03 C ATOM 229 CZ PHE A 15 -0.906 -1.808 -11.327 1.00 45.14 C ATOM 0 H PHE A 15 -4.641 3.561 -9.512 1.00 60.14 H new ATOM 0 HA PHE A 15 -3.072 2.847 -11.923 1.00 35.34 H new ATOM 0 HB2 PHE A 15 -1.718 2.658 -9.906 1.00 72.44 H new ATOM 0 HB3 PHE A 15 -2.997 1.812 -9.058 1.00 72.44 H new ATOM 0 HD1 PHE A 15 -0.785 1.476 -12.059 1.00 74.51 H new ATOM 0 HD2 PHE A 15 -3.006 -0.531 -9.023 1.00 15.41 H new ATOM 0 HE1 PHE A 15 0.147 -0.673 -12.798 1.00 44.42 H new ATOM 0 HE2 PHE A 15 -2.078 -2.678 -9.765 1.00 14.03 H new ATOM 0 HZ PHE A 15 -0.496 -2.753 -11.651 1.00 45.14 H new ATOM 367 N LEU A 23 -4.847 -5.068 -6.382 1.00 12.34 N ATOM 368 CA LEU A 23 -5.598 -3.914 -5.865 1.00 34.25 C ATOM 369 C LEU A 23 -5.421 -2.672 -6.756 1.00 64.50 C ATOM 370 O LEU A 23 -4.306 -2.180 -6.941 1.00 0.10 O ATOM 371 CB LEU A 23 -5.149 -3.597 -4.429 1.00 15.33 C ATOM 372 CG LEU A 23 -5.936 -2.482 -3.717 1.00 52.10 C ATOM 373 CD1 LEU A 23 -7.411 -2.857 -3.602 1.00 4.30 C ATOM 374 CD2 LEU A 23 -5.334 -2.194 -2.343 1.00 70.03 C ATOM 0 HA LEU A 23 -6.656 -4.178 -5.869 1.00 34.25 H new ATOM 0 HB2 LEU A 23 -5.225 -4.507 -3.834 1.00 15.33 H new ATOM 0 HB3 LEU A 23 -4.096 -3.317 -4.450 1.00 15.33 H new ATOM 0 HG LEU A 23 -5.865 -1.572 -4.313 1.00 52.10 H new ATOM 0 HD11 LEU A 23 -7.951 -2.057 -3.096 1.00 4.30 H new ATOM 0 HD12 LEU A 23 -7.828 -3.003 -4.598 1.00 4.30 H new ATOM 0 HD13 LEU A 23 -7.508 -3.779 -3.029 1.00 4.30 H new ATOM 0 HD21 LEU A 23 -5.903 -1.403 -1.855 1.00 70.03 H new ATOM 0 HD22 LEU A 23 -5.370 -3.097 -1.733 1.00 70.03 H new ATOM 0 HD23 LEU A 23 -4.298 -1.876 -2.459 1.00 70.03 H new ATOM 386 N GLU A 24 -6.529 -2.170 -7.301 1.00 10.23 N ATOM 387 CA GLU A 24 -6.514 -0.941 -8.100 1.00 64.20 C ATOM 388 C GLU A 24 -6.605 0.298 -7.198 1.00 23.15 C ATOM 389 O GLU A 24 -7.323 0.297 -6.195 1.00 14.42 O ATOM 390 CB GLU A 24 -7.670 -0.943 -9.110 1.00 24.33 C ATOM 391 CG GLU A 24 -7.637 -2.120 -10.084 1.00 45.10 C ATOM 392 CD GLU A 24 -8.709 -2.020 -11.158 1.00 21.33 C ATOM 393 OE1 GLU A 24 -9.858 -2.444 -10.908 1.00 63.23 O ATOM 394 OE2 GLU A 24 -8.413 -1.506 -12.258 1.00 41.40 O ATOM 0 H GLU A 24 -7.451 -2.595 -7.204 1.00 10.23 H new ATOM 0 HA GLU A 24 -5.570 -0.904 -8.644 1.00 64.20 H new ATOM 0 HB2 GLU A 24 -8.615 -0.960 -8.567 1.00 24.33 H new ATOM 0 HB3 GLU A 24 -7.645 -0.013 -9.678 1.00 24.33 H new ATOM 0 HG2 GLU A 24 -6.656 -2.167 -10.558 1.00 45.10 H new ATOM 0 HG3 GLU A 24 -7.769 -3.049 -9.530 1.00 45.10 H new ATOM 401 N LEU A 25 -5.885 1.357 -7.562 1.00 5.22 N ATOM 402 CA LEU A 25 -5.784 2.555 -6.714 1.00 22.51 C ATOM 403 C LEU A 25 -6.396 3.794 -7.387 1.00 10.23 C ATOM 404 O LEU A 25 -6.270 3.984 -8.597 1.00 41.01 O ATOM 405 CB LEU A 25 -4.311 2.825 -6.376 1.00 14.35 C ATOM 406 CG LEU A 25 -3.559 1.652 -5.720 1.00 15.52 C ATOM 407 CD1 LEU A 25 -2.122 2.048 -5.385 1.00 40.50 C ATOM 408 CD2 LEU A 25 -4.297 1.164 -4.475 1.00 3.03 C ATOM 0 H LEU A 25 -5.362 1.415 -8.436 1.00 5.22 H new ATOM 0 HA LEU A 25 -6.350 2.363 -5.802 1.00 22.51 H new ATOM 0 HB2 LEU A 25 -3.790 3.101 -7.293 1.00 14.35 H new ATOM 0 HB3 LEU A 25 -4.261 3.686 -5.709 1.00 14.35 H new ATOM 0 HG LEU A 25 -3.523 0.829 -6.434 1.00 15.52 H new ATOM 0 HD11 LEU A 25 -1.610 1.204 -4.923 1.00 40.50 H new ATOM 0 HD12 LEU A 25 -1.600 2.332 -6.299 1.00 40.50 H new ATOM 0 HD13 LEU A 25 -2.129 2.891 -4.694 1.00 40.50 H new ATOM 0 HD21 LEU A 25 -3.748 0.335 -4.028 1.00 3.03 H new ATOM 0 HD22 LEU A 25 -4.374 1.979 -3.755 1.00 3.03 H new ATOM 0 HD23 LEU A 25 -5.297 0.829 -4.752 1.00 3.03 H new ATOM 420 N LEU A 26 -7.063 4.632 -6.590 1.00 41.12 N ATOM 421 CA LEU A 26 -7.629 5.903 -7.068 1.00 45.02 C ATOM 422 C LEU A 26 -6.929 7.103 -6.392 1.00 40.25 C ATOM 423 O LEU A 26 -6.405 6.986 -5.282 1.00 25.24 O ATOM 424 CB LEU A 26 -9.152 5.949 -6.810 1.00 30.23 C ATOM 425 CG LEU A 26 -10.031 5.182 -7.824 1.00 34.01 C ATOM 426 CD1 LEU A 26 -9.835 5.725 -9.238 1.00 32.20 C ATOM 427 CD2 LEU A 26 -9.750 3.680 -7.782 1.00 23.22 C ATOM 0 H LEU A 26 -7.227 4.453 -5.599 1.00 41.12 H new ATOM 0 HA LEU A 26 -7.458 5.969 -8.142 1.00 45.02 H new ATOM 0 HB2 LEU A 26 -9.345 5.548 -5.815 1.00 30.23 H new ATOM 0 HB3 LEU A 26 -9.468 6.992 -6.800 1.00 30.23 H new ATOM 0 HG LEU A 26 -11.071 5.337 -7.538 1.00 34.01 H new ATOM 0 HD11 LEU A 26 -10.465 5.168 -9.932 1.00 32.20 H new ATOM 0 HD12 LEU A 26 -10.110 6.779 -9.264 1.00 32.20 H new ATOM 0 HD13 LEU A 26 -8.790 5.615 -9.528 1.00 32.20 H new ATOM 0 HD21 LEU A 26 -10.385 3.171 -8.507 1.00 23.22 H new ATOM 0 HD22 LEU A 26 -8.703 3.499 -8.026 1.00 23.22 H new ATOM 0 HD23 LEU A 26 -9.961 3.298 -6.783 1.00 23.22 H new ATOM 439 N PRO A 27 -6.905 8.281 -7.055 1.00 1.34 N ATOM 440 CA PRO A 27 -6.199 9.471 -6.538 1.00 74.22 C ATOM 441 C PRO A 27 -6.753 9.967 -5.191 1.00 63.03 C ATOM 442 O PRO A 27 -7.917 10.366 -5.087 1.00 73.30 O ATOM 443 CB PRO A 27 -6.409 10.525 -7.641 1.00 65.54 C ATOM 444 CG PRO A 27 -7.602 10.055 -8.401 1.00 14.33 C ATOM 445 CD PRO A 27 -7.553 8.553 -8.352 1.00 60.34 C ATOM 0 HA PRO A 27 -5.151 9.255 -6.333 1.00 74.22 H new ATOM 0 HB2 PRO A 27 -6.577 11.514 -7.215 1.00 65.54 H new ATOM 0 HB3 PRO A 27 -5.534 10.600 -8.287 1.00 65.54 H new ATOM 0 HG2 PRO A 27 -8.523 10.431 -7.955 1.00 14.33 H new ATOM 0 HG3 PRO A 27 -7.576 10.414 -9.430 1.00 14.33 H new ATOM 0 HD2 PRO A 27 -8.550 8.115 -8.404 1.00 60.34 H new ATOM 0 HD3 PRO A 27 -6.980 8.141 -9.183 1.00 60.34 H new ATOM 453 N GLY A 28 -5.911 9.930 -4.161 1.00 50.15 N ATOM 454 CA GLY A 28 -6.298 10.421 -2.845 1.00 60.21 C ATOM 455 C GLY A 28 -6.766 9.325 -1.891 1.00 52.42 C ATOM 456 O GLY A 28 -7.406 9.617 -0.882 1.00 23.54 O ATOM 0 H GLY A 28 -4.960 9.566 -4.214 1.00 50.15 H new ATOM 0 HA2 GLY A 28 -5.451 10.941 -2.398 1.00 60.21 H new ATOM 0 HA3 GLY A 28 -7.097 11.154 -2.961 1.00 60.21 H new ATOM 460 N ASP A 29 -6.456 8.067 -2.204 1.00 20.54 N ATOM 461 CA ASP A 29 -6.827 6.942 -1.333 1.00 14.42 C ATOM 462 C ASP A 29 -5.915 6.812 -0.105 1.00 44.33 C ATOM 463 O ASP A 29 -4.694 6.903 -0.210 1.00 41.42 O ATOM 464 CB ASP A 29 -6.817 5.619 -2.114 1.00 50.33 C ATOM 465 CG ASP A 29 -8.139 5.338 -2.791 1.00 1.15 C ATOM 466 OD1 ASP A 29 -9.186 5.703 -2.215 1.00 21.23 O ATOM 467 OD2 ASP A 29 -8.144 4.724 -3.875 1.00 2.11 O ATOM 0 H ASP A 29 -5.952 7.798 -3.049 1.00 20.54 H new ATOM 0 HA ASP A 29 -7.835 7.156 -0.978 1.00 14.42 H new ATOM 0 HB2 ASP A 29 -6.027 5.650 -2.864 1.00 50.33 H new ATOM 0 HB3 ASP A 29 -6.579 4.801 -1.434 1.00 50.33 H new ATOM 472 N VAL A 30 -6.525 6.585 1.056 1.00 12.10 N ATOM 473 CA VAL A 30 -5.784 6.284 2.284 1.00 33.34 C ATOM 474 C VAL A 30 -5.797 4.769 2.556 1.00 54.05 C ATOM 475 O VAL A 30 -6.764 4.226 3.095 1.00 22.11 O ATOM 476 CB VAL A 30 -6.372 7.039 3.506 1.00 60.43 C ATOM 477 CG1 VAL A 30 -5.571 6.737 4.775 1.00 63.32 C ATOM 478 CG2 VAL A 30 -6.421 8.543 3.238 1.00 30.31 C ATOM 0 H VAL A 30 -7.538 6.604 1.175 1.00 12.10 H new ATOM 0 HA VAL A 30 -4.757 6.620 2.139 1.00 33.34 H new ATOM 0 HB VAL A 30 -7.392 6.687 3.663 1.00 60.43 H new ATOM 0 HG11 VAL A 30 -6.004 7.278 5.616 1.00 63.32 H new ATOM 0 HG12 VAL A 30 -5.601 5.667 4.978 1.00 63.32 H new ATOM 0 HG13 VAL A 30 -4.536 7.051 4.636 1.00 63.32 H new ATOM 0 HG21 VAL A 30 -6.836 9.054 4.107 1.00 30.31 H new ATOM 0 HG22 VAL A 30 -5.413 8.912 3.048 1.00 30.31 H new ATOM 0 HG23 VAL A 30 -7.049 8.737 2.368 1.00 30.31 H new ATOM 488 N LEU A 31 -4.729 4.089 2.152 1.00 71.13 N ATOM 489 CA LEU A 31 -4.636 2.631 2.286 1.00 4.33 C ATOM 490 C LEU A 31 -4.199 2.212 3.698 1.00 64.32 C ATOM 491 O LEU A 31 -3.236 2.749 4.253 1.00 11.21 O ATOM 492 CB LEU A 31 -3.655 2.050 1.251 1.00 62.13 C ATOM 493 CG LEU A 31 -4.103 2.120 -0.221 1.00 24.34 C ATOM 494 CD1 LEU A 31 -4.147 3.563 -0.718 1.00 35.11 C ATOM 495 CD2 LEU A 31 -3.181 1.276 -1.096 1.00 2.51 C ATOM 0 H LEU A 31 -3.910 4.523 1.727 1.00 71.13 H new ATOM 0 HA LEU A 31 -5.634 2.231 2.105 1.00 4.33 H new ATOM 0 HB2 LEU A 31 -2.705 2.576 1.346 1.00 62.13 H new ATOM 0 HB3 LEU A 31 -3.468 1.006 1.504 1.00 62.13 H new ATOM 0 HG LEU A 31 -5.113 1.716 -0.287 1.00 24.34 H new ATOM 0 HD11 LEU A 31 -4.467 3.579 -1.760 1.00 35.11 H new ATOM 0 HD12 LEU A 31 -4.851 4.135 -0.113 1.00 35.11 H new ATOM 0 HD13 LEU A 31 -3.155 4.007 -0.636 1.00 35.11 H new ATOM 0 HD21 LEU A 31 -3.510 1.335 -2.134 1.00 2.51 H new ATOM 0 HD22 LEU A 31 -2.161 1.651 -1.017 1.00 2.51 H new ATOM 0 HD23 LEU A 31 -3.213 0.238 -0.764 1.00 2.51 H new ATOM 507 N VAL A 32 -4.909 1.240 4.265 1.00 44.43 N ATOM 508 CA VAL A 32 -4.594 0.712 5.596 1.00 44.21 C ATOM 509 C VAL A 32 -3.689 -0.528 5.501 1.00 11.21 C ATOM 510 O VAL A 32 -4.123 -1.594 5.057 1.00 41.25 O ATOM 511 CB VAL A 32 -5.887 0.350 6.372 1.00 71.32 C ATOM 512 CG1 VAL A 32 -5.559 -0.209 7.755 1.00 14.24 C ATOM 513 CG2 VAL A 32 -6.806 1.566 6.481 1.00 33.53 C ATOM 0 H VAL A 32 -5.714 0.797 3.821 1.00 44.43 H new ATOM 0 HA VAL A 32 -4.063 1.495 6.137 1.00 44.21 H new ATOM 0 HB VAL A 32 -6.410 -0.426 5.814 1.00 71.32 H new ATOM 0 HG11 VAL A 32 -6.484 -0.454 8.277 1.00 14.24 H new ATOM 0 HG12 VAL A 32 -4.952 -1.108 7.649 1.00 14.24 H new ATOM 0 HG13 VAL A 32 -5.006 0.536 8.327 1.00 14.24 H new ATOM 0 HG21 VAL A 32 -7.708 1.293 7.029 1.00 33.53 H new ATOM 0 HG22 VAL A 32 -6.289 2.367 7.010 1.00 33.53 H new ATOM 0 HG23 VAL A 32 -7.078 1.908 5.482 1.00 33.53 H new ATOM 523 N VAL A 33 -2.428 -0.378 5.906 1.00 30.13 N ATOM 524 CA VAL A 33 -1.462 -1.485 5.880 1.00 55.44 C ATOM 525 C VAL A 33 -0.957 -1.818 7.293 1.00 61.42 C ATOM 526 O VAL A 33 -0.345 -0.985 7.960 1.00 70.04 O ATOM 527 CB VAL A 33 -0.250 -1.151 4.971 1.00 61.20 C ATOM 528 CG1 VAL A 33 0.746 -2.313 4.936 1.00 60.23 C ATOM 529 CG2 VAL A 33 -0.717 -0.791 3.561 1.00 33.13 C ATOM 0 H VAL A 33 -2.047 0.501 6.258 1.00 30.13 H new ATOM 0 HA VAL A 33 -1.984 -2.352 5.475 1.00 55.44 H new ATOM 0 HB VAL A 33 0.261 -0.285 5.392 1.00 61.20 H new ATOM 0 HG11 VAL A 33 1.586 -2.053 4.292 1.00 60.23 H new ATOM 0 HG12 VAL A 33 1.110 -2.511 5.944 1.00 60.23 H new ATOM 0 HG13 VAL A 33 0.253 -3.204 4.547 1.00 60.23 H new ATOM 0 HG21 VAL A 33 0.148 -0.560 2.939 1.00 33.13 H new ATOM 0 HG22 VAL A 33 -1.259 -1.633 3.131 1.00 33.13 H new ATOM 0 HG23 VAL A 33 -1.374 0.078 3.606 1.00 33.13 H new ATOM 539 N SER A 34 -1.226 -3.038 7.747 1.00 73.00 N ATOM 540 CA SER A 34 -0.771 -3.499 9.067 1.00 23.43 C ATOM 541 C SER A 34 0.758 -3.651 9.115 1.00 35.20 C ATOM 542 O SER A 34 1.378 -4.107 8.151 1.00 51.35 O ATOM 543 CB SER A 34 -1.426 -4.843 9.411 1.00 61.33 C ATOM 544 OG SER A 34 -1.105 -5.835 8.445 1.00 5.32 O ATOM 0 H SER A 34 -1.758 -3.732 7.223 1.00 73.00 H new ATOM 0 HA SER A 34 -1.065 -2.746 9.798 1.00 23.43 H new ATOM 0 HB2 SER A 34 -1.094 -5.170 10.396 1.00 61.33 H new ATOM 0 HB3 SER A 34 -2.508 -4.720 9.464 1.00 61.33 H new ATOM 0 HG SER A 34 -1.534 -6.681 8.690 1.00 5.32 H new ATOM 550 N ARG A 35 1.370 -3.285 10.244 1.00 4.34 N ATOM 551 CA ARG A 35 2.830 -3.379 10.384 1.00 22.10 C ATOM 552 C ARG A 35 3.286 -4.849 10.380 1.00 24.02 C ATOM 553 O ARG A 35 4.433 -5.158 10.047 1.00 53.33 O ATOM 554 CB ARG A 35 3.312 -2.635 11.650 1.00 74.04 C ATOM 555 CG ARG A 35 2.786 -3.184 12.983 1.00 12.03 C ATOM 556 CD ARG A 35 3.628 -4.347 13.514 1.00 64.11 C ATOM 557 NE ARG A 35 3.191 -4.792 14.836 1.00 72.24 N ATOM 558 CZ ARG A 35 3.982 -5.331 15.727 1.00 23.34 C ATOM 559 NH1 ARG A 35 5.241 -5.502 15.472 1.00 21.55 N ATOM 560 NH2 ARG A 35 3.514 -5.694 16.875 1.00 53.10 N ATOM 0 H ARG A 35 0.887 -2.925 11.067 1.00 4.34 H new ATOM 0 HA ARG A 35 3.289 -2.891 9.524 1.00 22.10 H new ATOM 0 HB2 ARG A 35 4.401 -2.661 11.672 1.00 74.04 H new ATOM 0 HB3 ARG A 35 3.019 -1.588 11.568 1.00 74.04 H new ATOM 0 HG2 ARG A 35 2.773 -2.383 13.722 1.00 12.03 H new ATOM 0 HG3 ARG A 35 1.756 -3.515 12.854 1.00 12.03 H new ATOM 0 HD2 ARG A 35 3.572 -5.182 12.815 1.00 64.11 H new ATOM 0 HD3 ARG A 35 4.673 -4.043 13.563 1.00 64.11 H new ATOM 0 HE ARG A 35 2.207 -4.675 15.079 1.00 72.24 H new ATOM 0 HH11 ARG A 35 5.622 -5.215 14.570 1.00 21.55 H new ATOM 0 HH12 ARG A 35 5.851 -5.923 16.173 1.00 21.55 H new ATOM 0 HH21 ARG A 35 2.525 -5.560 17.088 1.00 53.10 H new ATOM 0 HH22 ARG A 35 4.133 -6.114 17.568 1.00 53.10 H new ATOM 574 N ALA A 36 2.373 -5.749 10.745 1.00 24.40 N ATOM 575 CA ALA A 36 2.627 -7.190 10.671 1.00 43.44 C ATOM 576 C ALA A 36 2.874 -7.636 9.224 1.00 24.31 C ATOM 577 O ALA A 36 3.724 -8.488 8.962 1.00 51.22 O ATOM 578 CB ALA A 36 1.458 -7.962 11.269 1.00 70.30 C ATOM 0 H ALA A 36 1.447 -5.505 11.096 1.00 24.40 H new ATOM 0 HA ALA A 36 3.527 -7.405 11.248 1.00 43.44 H new ATOM 0 HB1 ALA A 36 1.659 -9.032 11.208 1.00 70.30 H new ATOM 0 HB2 ALA A 36 1.329 -7.676 12.313 1.00 70.30 H new ATOM 0 HB3 ALA A 36 0.548 -7.732 10.715 1.00 70.30 H new ATOM 584 N ALA A 37 2.130 -7.048 8.286 1.00 50.13 N ATOM 585 CA ALA A 37 2.306 -7.342 6.859 1.00 73.55 C ATOM 586 C ALA A 37 3.721 -6.978 6.385 1.00 64.14 C ATOM 587 O ALA A 37 4.362 -7.742 5.662 1.00 44.44 O ATOM 588 CB ALA A 37 1.260 -6.603 6.031 1.00 65.24 C ATOM 0 H ALA A 37 1.399 -6.365 8.487 1.00 50.13 H new ATOM 0 HA ALA A 37 2.172 -8.415 6.718 1.00 73.55 H new ATOM 0 HB1 ALA A 37 1.404 -6.831 4.975 1.00 65.24 H new ATOM 0 HB2 ALA A 37 0.263 -6.919 6.338 1.00 65.24 H new ATOM 0 HB3 ALA A 37 1.364 -5.529 6.187 1.00 65.24 H new ATOM 594 N LEU A 38 4.205 -5.806 6.803 1.00 62.45 N ATOM 595 CA LEU A 38 5.574 -5.377 6.496 1.00 61.30 C ATOM 596 C LEU A 38 6.594 -6.386 7.045 1.00 62.54 C ATOM 597 O LEU A 38 7.536 -6.776 6.353 1.00 25.14 O ATOM 598 CB LEU A 38 5.843 -3.982 7.081 1.00 61.04 C ATOM 599 CG LEU A 38 4.932 -2.860 6.559 1.00 64.00 C ATOM 600 CD1 LEU A 38 5.293 -1.528 7.211 1.00 41.42 C ATOM 601 CD2 LEU A 38 5.020 -2.757 5.036 1.00 15.03 C ATOM 0 H LEU A 38 3.670 -5.136 7.355 1.00 62.45 H new ATOM 0 HA LEU A 38 5.682 -5.330 5.412 1.00 61.30 H new ATOM 0 HB2 LEU A 38 5.740 -4.035 8.165 1.00 61.04 H new ATOM 0 HB3 LEU A 38 6.878 -3.713 6.872 1.00 61.04 H new ATOM 0 HG LEU A 38 3.903 -3.103 6.825 1.00 64.00 H new ATOM 0 HD11 LEU A 38 4.637 -0.746 6.829 1.00 41.42 H new ATOM 0 HD12 LEU A 38 5.172 -1.607 8.291 1.00 41.42 H new ATOM 0 HD13 LEU A 38 6.328 -1.278 6.979 1.00 41.42 H new ATOM 0 HD21 LEU A 38 4.367 -1.957 4.687 1.00 15.03 H new ATOM 0 HD22 LEU A 38 6.048 -2.540 4.745 1.00 15.03 H new ATOM 0 HD23 LEU A 38 4.708 -3.701 4.589 1.00 15.03 H new ATOM 613 N GLN A 39 6.385 -6.818 8.290 1.00 41.33 N ATOM 614 CA GLN A 39 7.230 -7.846 8.911 1.00 12.21 C ATOM 615 C GLN A 39 7.190 -9.159 8.111 1.00 51.23 C ATOM 616 O GLN A 39 8.214 -9.818 7.929 1.00 23.13 O ATOM 617 CB GLN A 39 6.791 -8.095 10.362 1.00 44.35 C ATOM 618 CG GLN A 39 7.098 -6.931 11.302 1.00 11.41 C ATOM 619 CD GLN A 39 6.583 -7.157 12.714 1.00 71.23 C ATOM 620 OE1 GLN A 39 5.561 -7.797 12.925 1.00 13.11 O ATOM 621 NE2 GLN A 39 7.295 -6.638 13.697 1.00 1.45 N ATOM 0 H GLN A 39 5.637 -6.473 8.891 1.00 41.33 H new ATOM 0 HA GLN A 39 8.257 -7.481 8.909 1.00 12.21 H new ATOM 0 HB2 GLN A 39 5.719 -8.292 10.380 1.00 44.35 H new ATOM 0 HB3 GLN A 39 7.286 -8.992 10.734 1.00 44.35 H new ATOM 0 HG2 GLN A 39 8.176 -6.772 11.335 1.00 11.41 H new ATOM 0 HG3 GLN A 39 6.654 -6.020 10.901 1.00 11.41 H new ATOM 0 HE21 GLN A 39 8.142 -6.110 13.489 1.00 1.45 H new ATOM 0 HE22 GLN A 39 6.998 -6.765 14.664 1.00 1.45 H new ATOM 630 N ALA A 40 6.004 -9.529 7.626 1.00 50.32 N ATOM 631 CA ALA A 40 5.844 -10.722 6.783 1.00 64.20 C ATOM 632 C ALA A 40 6.613 -10.585 5.460 1.00 0.54 C ATOM 633 O ALA A 40 7.147 -11.560 4.933 1.00 11.01 O ATOM 634 CB ALA A 40 4.365 -10.985 6.515 1.00 54.01 C ATOM 0 H ALA A 40 5.137 -9.021 7.801 1.00 50.32 H new ATOM 0 HA ALA A 40 6.263 -11.571 7.323 1.00 64.20 H new ATOM 0 HB1 ALA A 40 4.261 -11.871 5.889 1.00 54.01 H new ATOM 0 HB2 ALA A 40 3.847 -11.145 7.460 1.00 54.01 H new ATOM 0 HB3 ALA A 40 3.930 -10.127 6.003 1.00 54.01 H new ATOM 640 N LEU A 41 6.658 -9.362 4.930 1.00 5.31 N ATOM 641 CA LEU A 41 7.430 -9.057 3.716 1.00 74.15 C ATOM 642 C LEU A 41 8.940 -8.995 4.017 1.00 3.00 C ATOM 643 O LEU A 41 9.768 -9.064 3.107 1.00 50.40 O ATOM 644 CB LEU A 41 6.967 -7.721 3.114 1.00 12.15 C ATOM 645 CG LEU A 41 5.495 -7.668 2.669 1.00 0.20 C ATOM 646 CD1 LEU A 41 5.113 -6.255 2.236 1.00 71.33 C ATOM 647 CD2 LEU A 41 5.234 -8.663 1.540 1.00 3.14 C ATOM 0 H LEU A 41 6.167 -8.559 5.323 1.00 5.31 H new ATOM 0 HA LEU A 41 7.255 -9.858 2.998 1.00 74.15 H new ATOM 0 HB2 LEU A 41 7.134 -6.934 3.849 1.00 12.15 H new ATOM 0 HB3 LEU A 41 7.597 -7.493 2.254 1.00 12.15 H new ATOM 0 HG LEU A 41 4.874 -7.946 3.520 1.00 0.20 H new ATOM 0 HD11 LEU A 41 4.068 -6.240 1.925 1.00 71.33 H new ATOM 0 HD12 LEU A 41 5.253 -5.568 3.071 1.00 71.33 H new ATOM 0 HD13 LEU A 41 5.744 -5.947 1.402 1.00 71.33 H new ATOM 0 HD21 LEU A 41 4.187 -8.608 1.241 1.00 3.14 H new ATOM 0 HD22 LEU A 41 5.868 -8.420 0.687 1.00 3.14 H new ATOM 0 HD23 LEU A 41 5.461 -9.672 1.885 1.00 3.14 H new ATOM 659 N GLY A 42 9.285 -8.853 5.296 1.00 63.34 N ATOM 660 CA GLY A 42 10.686 -8.796 5.707 1.00 3.03 C ATOM 661 C GLY A 42 11.228 -7.371 5.820 1.00 62.30 C ATOM 662 O GLY A 42 12.443 -7.162 5.839 1.00 41.51 O ATOM 0 H GLY A 42 8.616 -8.776 6.062 1.00 63.34 H new ATOM 0 HA2 GLY A 42 10.795 -9.296 6.670 1.00 3.03 H new ATOM 0 HA3 GLY A 42 11.290 -9.351 4.989 1.00 3.03 H new ATOM 666 N VAL A 43 10.329 -6.391 5.910 1.00 24.24 N ATOM 667 CA VAL A 43 10.717 -4.975 5.984 1.00 50.20 C ATOM 668 C VAL A 43 11.071 -4.547 7.422 1.00 22.22 C ATOM 669 O VAL A 43 10.214 -4.533 8.306 1.00 15.01 O ATOM 670 CB VAL A 43 9.587 -4.058 5.444 1.00 62.44 C ATOM 671 CG1 VAL A 43 10.030 -2.593 5.423 1.00 40.12 C ATOM 672 CG2 VAL A 43 9.141 -4.508 4.054 1.00 71.30 C ATOM 0 H VAL A 43 9.322 -6.549 5.934 1.00 24.24 H new ATOM 0 HA VAL A 43 11.605 -4.865 5.361 1.00 50.20 H new ATOM 0 HB VAL A 43 8.736 -4.142 6.120 1.00 62.44 H new ATOM 0 HG11 VAL A 43 9.219 -1.973 5.040 1.00 40.12 H new ATOM 0 HG12 VAL A 43 10.284 -2.275 6.434 1.00 40.12 H new ATOM 0 HG13 VAL A 43 10.903 -2.486 4.779 1.00 40.12 H new ATOM 0 HG21 VAL A 43 8.349 -3.851 3.696 1.00 71.30 H new ATOM 0 HG22 VAL A 43 9.987 -4.464 3.368 1.00 71.30 H new ATOM 0 HG23 VAL A 43 8.769 -5.531 4.105 1.00 71.30 H new ATOM 682 N ALA A 44 12.336 -4.201 7.641 1.00 34.41 N ATOM 683 CA ALA A 44 12.797 -3.708 8.944 1.00 13.23 C ATOM 684 C ALA A 44 12.710 -2.173 9.018 1.00 55.44 C ATOM 685 O ALA A 44 12.802 -1.487 7.993 1.00 52.01 O ATOM 686 CB ALA A 44 14.223 -4.177 9.212 1.00 0.13 C ATOM 0 H ALA A 44 13.067 -4.252 6.932 1.00 34.41 H new ATOM 0 HA ALA A 44 12.143 -4.118 9.714 1.00 13.23 H new ATOM 0 HB1 ALA A 44 14.552 -3.804 10.182 1.00 0.13 H new ATOM 0 HB2 ALA A 44 14.254 -5.267 9.213 1.00 0.13 H new ATOM 0 HB3 ALA A 44 14.884 -3.796 8.433 1.00 0.13 H new ATOM 692 N GLU A 45 12.512 -1.640 10.227 1.00 12.31 N ATOM 693 CA GLU A 45 12.429 -0.187 10.435 1.00 45.13 C ATOM 694 C GLU A 45 13.610 0.553 9.779 1.00 11.03 C ATOM 695 O GLU A 45 14.734 0.046 9.726 1.00 73.32 O ATOM 696 CB GLU A 45 12.369 0.137 11.933 1.00 42.44 C ATOM 697 CG GLU A 45 13.592 -0.326 12.716 1.00 31.21 C ATOM 698 CD GLU A 45 13.511 0.040 14.187 1.00 35.24 C ATOM 699 OE1 GLU A 45 13.893 1.174 14.539 1.00 60.13 O ATOM 700 OE2 GLU A 45 13.055 -0.798 14.993 1.00 42.32 O ATOM 0 H GLU A 45 12.406 -2.191 11.079 1.00 12.31 H new ATOM 0 HA GLU A 45 11.513 0.160 9.957 1.00 45.13 H new ATOM 0 HB2 GLU A 45 12.257 1.214 12.057 1.00 42.44 H new ATOM 0 HB3 GLU A 45 11.480 -0.327 12.360 1.00 42.44 H new ATOM 0 HG2 GLU A 45 13.694 -1.407 12.619 1.00 31.21 H new ATOM 0 HG3 GLU A 45 14.487 0.119 12.282 1.00 31.21 H new ATOM 707 N GLY A 46 13.348 1.758 9.285 1.00 5.12 N ATOM 708 CA GLY A 46 14.337 2.482 8.495 1.00 4.34 C ATOM 709 C GLY A 46 14.033 2.408 7.003 1.00 1.45 C ATOM 710 O GLY A 46 14.427 3.281 6.229 1.00 2.14 O ATOM 0 H GLY A 46 12.465 2.252 9.416 1.00 5.12 H new ATOM 0 HA2 GLY A 46 14.361 3.525 8.810 1.00 4.34 H new ATOM 0 HA3 GLY A 46 15.328 2.069 8.685 1.00 4.34 H new ATOM 714 N GLY A 47 13.339 1.343 6.600 1.00 13.31 N ATOM 715 CA GLY A 47 12.889 1.204 5.219 1.00 13.14 C ATOM 716 C GLY A 47 11.368 1.153 5.098 1.00 71.22 C ATOM 717 O GLY A 47 10.829 1.035 3.998 1.00 0.00 O ATOM 0 H GLY A 47 13.078 0.568 7.209 1.00 13.31 H new ATOM 0 HA2 GLY A 47 13.268 2.040 4.632 1.00 13.14 H new ATOM 0 HA3 GLY A 47 13.314 0.296 4.792 1.00 13.14 H new ATOM 721 N GLU A 48 10.673 1.270 6.232 1.00 43.01 N ATOM 722 CA GLU A 48 9.206 1.167 6.266 1.00 70.32 C ATOM 723 C GLU A 48 8.540 2.301 5.469 1.00 73.44 C ATOM 724 O GLU A 48 7.547 2.091 4.775 1.00 20.25 O ATOM 725 CB GLU A 48 8.685 1.165 7.721 1.00 3.05 C ATOM 726 CG GLU A 48 8.805 2.503 8.464 1.00 70.22 C ATOM 727 CD GLU A 48 10.235 2.871 8.840 1.00 43.03 C ATOM 728 OE1 GLU A 48 10.976 3.383 7.974 1.00 73.31 O ATOM 729 OE2 GLU A 48 10.628 2.645 10.004 1.00 44.34 O ATOM 0 H GLU A 48 11.101 1.437 7.143 1.00 43.01 H new ATOM 0 HA GLU A 48 8.939 0.220 5.796 1.00 70.32 H new ATOM 0 HB2 GLU A 48 7.637 0.865 7.714 1.00 3.05 H new ATOM 0 HB3 GLU A 48 9.229 0.406 8.283 1.00 3.05 H new ATOM 0 HG2 GLU A 48 8.388 3.293 7.840 1.00 70.22 H new ATOM 0 HG3 GLU A 48 8.200 2.460 9.370 1.00 70.22 H new ATOM 736 N ARG A 49 9.110 3.501 5.557 1.00 61.13 N ATOM 737 CA ARG A 49 8.565 4.671 4.860 1.00 52.11 C ATOM 738 C ARG A 49 8.992 4.721 3.379 1.00 32.12 C ATOM 739 O ARG A 49 8.769 5.722 2.694 1.00 33.43 O ATOM 740 CB ARG A 49 8.973 5.967 5.584 1.00 21.12 C ATOM 741 CG ARG A 49 10.481 6.188 5.687 1.00 10.10 C ATOM 742 CD ARG A 49 10.805 7.519 6.360 1.00 2.11 C ATOM 743 NE ARG A 49 12.244 7.754 6.458 1.00 60.00 N ATOM 744 CZ ARG A 49 12.803 8.933 6.380 1.00 52.24 C ATOM 745 NH1 ARG A 49 12.082 10.001 6.246 1.00 53.23 N ATOM 746 NH2 ARG A 49 14.086 9.044 6.447 1.00 53.33 N ATOM 0 H ARG A 49 9.950 3.692 6.104 1.00 61.13 H new ATOM 0 HA ARG A 49 7.479 4.580 4.878 1.00 52.11 H new ATOM 0 HB2 ARG A 49 8.529 6.815 5.062 1.00 21.12 H new ATOM 0 HB3 ARG A 49 8.551 5.955 6.589 1.00 21.12 H new ATOM 0 HG2 ARG A 49 10.932 5.373 6.254 1.00 10.10 H new ATOM 0 HG3 ARG A 49 10.922 6.166 4.691 1.00 10.10 H new ATOM 0 HD2 ARG A 49 10.344 8.330 5.797 1.00 2.11 H new ATOM 0 HD3 ARG A 49 10.367 7.535 7.358 1.00 2.11 H new ATOM 0 HE ARG A 49 12.851 6.946 6.596 1.00 60.00 H new ATOM 0 HH11 ARG A 49 11.066 9.928 6.200 1.00 53.23 H new ATOM 0 HH12 ARG A 49 12.531 10.915 6.186 1.00 53.23 H new ATOM 0 HH21 ARG A 49 14.665 8.212 6.561 1.00 53.33 H new ATOM 0 HH22 ARG A 49 14.522 9.964 6.386 1.00 53.33 H new ATOM 760 N CYS A 50 9.600 3.639 2.881 1.00 54.51 N ATOM 761 CA CYS A 50 10.020 3.559 1.471 1.00 21.22 C ATOM 762 C CYS A 50 9.384 2.354 0.749 1.00 75.34 C ATOM 763 O CYS A 50 10.063 1.371 0.440 1.00 51.12 O ATOM 764 CB CYS A 50 11.551 3.484 1.367 1.00 52.34 C ATOM 765 SG CYS A 50 12.409 4.968 1.945 1.00 74.33 S ATOM 0 H CYS A 50 9.814 2.806 3.429 1.00 54.51 H new ATOM 0 HA CYS A 50 9.670 4.466 0.979 1.00 21.22 H new ATOM 0 HB2 CYS A 50 11.901 2.628 1.944 1.00 52.34 H new ATOM 0 HB3 CYS A 50 11.825 3.302 0.328 1.00 52.34 H new ATOM 0 HG CYS A 50 13.692 4.804 1.818 1.00 74.33 H new ATOM 771 N PRO A 51 8.066 2.420 0.447 1.00 22.35 N ATOM 772 CA PRO A 51 7.344 1.316 -0.219 1.00 74.02 C ATOM 773 C PRO A 51 7.869 1.031 -1.638 1.00 40.12 C ATOM 774 O PRO A 51 7.707 -0.073 -2.166 1.00 72.33 O ATOM 775 CB PRO A 51 5.887 1.813 -0.257 1.00 63.40 C ATOM 776 CG PRO A 51 5.980 3.297 -0.138 1.00 64.31 C ATOM 777 CD PRO A 51 7.174 3.563 0.736 1.00 11.54 C ATOM 0 HA PRO A 51 7.468 0.371 0.310 1.00 74.02 H new ATOM 0 HB2 PRO A 51 5.395 1.522 -1.185 1.00 63.40 H new ATOM 0 HB3 PRO A 51 5.304 1.388 0.560 1.00 63.40 H new ATOM 0 HG2 PRO A 51 6.101 3.761 -1.117 1.00 64.31 H new ATOM 0 HG3 PRO A 51 5.073 3.712 0.302 1.00 64.31 H new ATOM 0 HD2 PRO A 51 7.647 4.514 0.493 1.00 11.54 H new ATOM 0 HD3 PRO A 51 6.900 3.604 1.790 1.00 11.54 H new ATOM 785 N GLN A 52 8.505 2.037 -2.248 1.00 51.41 N ATOM 786 CA GLN A 52 9.132 1.885 -3.569 1.00 64.53 C ATOM 787 C GLN A 52 10.180 0.756 -3.566 1.00 24.23 C ATOM 788 O GLN A 52 10.350 0.053 -4.562 1.00 14.42 O ATOM 789 CB GLN A 52 9.794 3.207 -4.000 1.00 41.31 C ATOM 790 CG GLN A 52 10.530 3.132 -5.339 1.00 15.02 C ATOM 791 CD GLN A 52 9.610 2.855 -6.516 1.00 23.44 C ATOM 792 OE1 GLN A 52 9.095 3.769 -7.148 1.00 13.44 O ATOM 793 NE2 GLN A 52 9.401 1.590 -6.821 1.00 55.13 N ATOM 0 H GLN A 52 8.600 2.970 -1.847 1.00 51.41 H new ATOM 0 HA GLN A 52 8.349 1.623 -4.280 1.00 64.53 H new ATOM 0 HB2 GLN A 52 9.029 3.981 -4.062 1.00 41.31 H new ATOM 0 HB3 GLN A 52 10.498 3.516 -3.228 1.00 41.31 H new ATOM 0 HG2 GLN A 52 11.055 4.072 -5.510 1.00 15.02 H new ATOM 0 HG3 GLN A 52 11.287 2.349 -5.286 1.00 15.02 H new ATOM 0 HE21 GLN A 52 9.846 0.853 -6.274 1.00 55.13 H new ATOM 0 HE22 GLN A 52 8.794 1.348 -7.604 1.00 55.13 H new ATOM 802 N SER A 53 10.876 0.590 -2.442 1.00 62.33 N ATOM 803 CA SER A 53 11.899 -0.461 -2.314 1.00 12.51 C ATOM 804 C SER A 53 11.258 -1.853 -2.228 1.00 4.32 C ATOM 805 O SER A 53 11.733 -2.809 -2.846 1.00 73.12 O ATOM 806 CB SER A 53 12.770 -0.214 -1.072 1.00 31.23 C ATOM 807 OG SER A 53 13.781 -1.199 -0.944 1.00 4.31 O ATOM 0 H SER A 53 10.755 1.164 -1.608 1.00 62.33 H new ATOM 0 HA SER A 53 12.525 -0.424 -3.206 1.00 12.51 H new ATOM 0 HB2 SER A 53 13.228 0.773 -1.138 1.00 31.23 H new ATOM 0 HB3 SER A 53 12.143 -0.216 -0.180 1.00 31.23 H new ATOM 0 HG SER A 53 14.319 -1.014 -0.146 1.00 4.31 H new ATOM 813 N VAL A 54 10.168 -1.951 -1.468 1.00 41.03 N ATOM 814 CA VAL A 54 9.445 -3.220 -1.288 1.00 32.32 C ATOM 815 C VAL A 54 8.813 -3.704 -2.606 1.00 14.04 C ATOM 816 O VAL A 54 8.790 -4.901 -2.898 1.00 42.33 O ATOM 817 CB VAL A 54 8.335 -3.074 -0.214 1.00 1.52 C ATOM 818 CG1 VAL A 54 7.667 -4.419 0.078 1.00 31.30 C ATOM 819 CG2 VAL A 54 8.897 -2.451 1.064 1.00 55.05 C ATOM 0 H VAL A 54 9.760 -1.165 -0.962 1.00 41.03 H new ATOM 0 HA VAL A 54 10.175 -3.959 -0.959 1.00 32.32 H new ATOM 0 HB VAL A 54 7.571 -2.405 -0.610 1.00 1.52 H new ATOM 0 HG11 VAL A 54 6.894 -4.285 0.834 1.00 31.30 H new ATOM 0 HG12 VAL A 54 7.217 -4.808 -0.836 1.00 31.30 H new ATOM 0 HG13 VAL A 54 8.413 -5.124 0.444 1.00 31.30 H new ATOM 0 HG21 VAL A 54 8.102 -2.358 1.804 1.00 55.05 H new ATOM 0 HG22 VAL A 54 9.689 -3.086 1.461 1.00 55.05 H new ATOM 0 HG23 VAL A 54 9.302 -1.464 0.840 1.00 55.05 H new ATOM 829 N GLY A 55 8.296 -2.762 -3.391 1.00 31.42 N ATOM 830 CA GLY A 55 7.683 -3.097 -4.673 1.00 73.13 C ATOM 831 C GLY A 55 6.170 -3.269 -4.581 1.00 33.22 C ATOM 832 O GLY A 55 5.413 -2.370 -4.943 1.00 52.43 O ATOM 0 H GLY A 55 8.289 -1.768 -3.164 1.00 31.42 H new ATOM 0 HA2 GLY A 55 7.911 -2.313 -5.395 1.00 73.13 H new ATOM 0 HA3 GLY A 55 8.126 -4.018 -5.052 1.00 73.13 H new ATOM 836 N TRP A 56 5.730 -4.426 -4.096 1.00 53.22 N ATOM 837 CA TRP A 56 4.297 -4.713 -3.940 1.00 71.42 C ATOM 838 C TRP A 56 3.957 -5.027 -2.474 1.00 43.15 C ATOM 839 O TRP A 56 4.741 -5.663 -1.769 1.00 35.22 O ATOM 840 CB TRP A 56 3.890 -5.888 -4.844 1.00 11.11 C ATOM 841 CG TRP A 56 4.561 -7.185 -4.488 1.00 11.20 C ATOM 842 CD1 TRP A 56 5.838 -7.564 -4.795 1.00 13.03 C ATOM 843 CD2 TRP A 56 3.983 -8.276 -3.759 1.00 42.42 C ATOM 844 NE1 TRP A 56 6.089 -8.817 -4.294 1.00 60.41 N ATOM 845 CE2 TRP A 56 4.966 -9.275 -3.655 1.00 45.43 C ATOM 846 CE3 TRP A 56 2.729 -8.498 -3.181 1.00 4.34 C ATOM 847 CZ2 TRP A 56 4.732 -10.481 -2.999 1.00 42.44 C ATOM 848 CZ3 TRP A 56 2.500 -9.693 -2.526 1.00 1.24 C ATOM 849 CH2 TRP A 56 3.497 -10.672 -2.442 1.00 15.12 C ATOM 0 H TRP A 56 6.343 -5.186 -3.802 1.00 53.22 H new ATOM 0 HA TRP A 56 3.736 -3.827 -4.237 1.00 71.42 H new ATOM 0 HB2 TRP A 56 2.810 -6.021 -4.788 1.00 11.11 H new ATOM 0 HB3 TRP A 56 4.127 -5.638 -5.878 1.00 11.11 H new ATOM 0 HD1 TRP A 56 6.545 -6.966 -5.350 1.00 13.03 H new ATOM 0 HE1 TRP A 56 6.969 -9.325 -4.383 1.00 60.41 H new ATOM 0 HE3 TRP A 56 1.954 -7.749 -3.245 1.00 4.34 H new ATOM 0 HZ2 TRP A 56 5.499 -11.239 -2.932 1.00 42.44 H new ATOM 0 HZ3 TRP A 56 1.537 -9.874 -2.072 1.00 1.24 H new ATOM 0 HH2 TRP A 56 3.287 -11.598 -1.927 1.00 15.12 H new ATOM 860 N MET A 57 2.792 -4.570 -2.010 1.00 3.13 N ATOM 861 CA MET A 57 2.353 -4.834 -0.631 1.00 55.30 C ATOM 862 C MET A 57 0.854 -5.172 -0.572 1.00 11.14 C ATOM 863 O MET A 57 0.052 -4.578 -1.293 1.00 4.04 O ATOM 864 CB MET A 57 2.636 -3.623 0.278 1.00 40.02 C ATOM 865 CG MET A 57 4.099 -3.199 0.319 1.00 4.41 C ATOM 866 SD MET A 57 4.413 -1.881 1.509 1.00 4.01 S ATOM 867 CE MET A 57 3.301 -0.601 0.924 1.00 54.42 C ATOM 0 H MET A 57 2.136 -4.018 -2.563 1.00 3.13 H new ATOM 0 HA MET A 57 2.921 -5.694 -0.275 1.00 55.30 H new ATOM 0 HB2 MET A 57 2.035 -2.780 -0.062 1.00 40.02 H new ATOM 0 HB3 MET A 57 2.310 -3.859 1.291 1.00 40.02 H new ATOM 0 HG2 MET A 57 4.716 -4.062 0.569 1.00 4.41 H new ATOM 0 HG3 MET A 57 4.404 -2.866 -0.673 1.00 4.41 H new ATOM 0 HE1 MET A 57 3.535 0.340 1.422 1.00 54.42 H new ATOM 0 HE2 MET A 57 3.419 -0.480 -0.153 1.00 54.42 H new ATOM 0 HE3 MET A 57 2.272 -0.883 1.146 1.00 54.42 H new ATOM 877 N PRO A 58 0.457 -6.141 0.278 1.00 23.41 N ATOM 878 CA PRO A 58 -0.960 -6.463 0.506 1.00 44.13 C ATOM 879 C PRO A 58 -1.619 -5.529 1.542 1.00 21.12 C ATOM 880 O PRO A 58 -1.221 -5.498 2.712 1.00 63.44 O ATOM 881 CB PRO A 58 -0.891 -7.900 1.031 1.00 75.03 C ATOM 882 CG PRO A 58 0.409 -7.968 1.768 1.00 72.41 C ATOM 883 CD PRO A 58 1.353 -7.019 1.063 1.00 62.33 C ATOM 0 HA PRO A 58 -1.567 -6.344 -0.391 1.00 44.13 H new ATOM 0 HB2 PRO A 58 -1.732 -8.123 1.688 1.00 75.03 H new ATOM 0 HB3 PRO A 58 -0.923 -8.622 0.215 1.00 75.03 H new ATOM 0 HG2 PRO A 58 0.279 -7.681 2.812 1.00 72.41 H new ATOM 0 HG3 PRO A 58 0.805 -8.984 1.763 1.00 72.41 H new ATOM 0 HD2 PRO A 58 1.949 -6.447 1.774 1.00 62.33 H new ATOM 0 HD3 PRO A 58 2.051 -7.555 0.420 1.00 62.33 H new ATOM 891 N GLY A 59 -2.627 -4.769 1.114 1.00 11.31 N ATOM 892 CA GLY A 59 -3.284 -3.824 2.014 1.00 73.20 C ATOM 893 C GLY A 59 -4.764 -3.608 1.706 1.00 0.31 C ATOM 894 O GLY A 59 -5.303 -4.175 0.749 1.00 43.43 O ATOM 0 H GLY A 59 -3.001 -4.788 0.165 1.00 11.31 H new ATOM 0 HA2 GLY A 59 -3.184 -4.183 3.038 1.00 73.20 H new ATOM 0 HA3 GLY A 59 -2.767 -2.866 1.960 1.00 73.20 H new ATOM 898 N LEU A 60 -5.418 -2.782 2.521 1.00 74.03 N ATOM 899 CA LEU A 60 -6.847 -2.488 2.355 1.00 64.43 C ATOM 900 C LEU A 60 -7.075 -1.093 1.742 1.00 60.00 C ATOM 901 O LEU A 60 -6.482 -0.104 2.178 1.00 22.35 O ATOM 902 CB LEU A 60 -7.562 -2.590 3.711 1.00 11.11 C ATOM 903 CG LEU A 60 -9.072 -2.288 3.694 1.00 43.04 C ATOM 904 CD1 LEU A 60 -9.816 -3.247 2.766 1.00 44.32 C ATOM 905 CD2 LEU A 60 -9.644 -2.352 5.107 1.00 1.22 C ATOM 0 H LEU A 60 -4.982 -2.301 3.307 1.00 74.03 H new ATOM 0 HA LEU A 60 -7.262 -3.224 1.666 1.00 64.43 H new ATOM 0 HB2 LEU A 60 -7.416 -3.596 4.103 1.00 11.11 H new ATOM 0 HB3 LEU A 60 -7.081 -1.903 4.407 1.00 11.11 H new ATOM 0 HG LEU A 60 -9.210 -1.278 3.309 1.00 43.04 H new ATOM 0 HD11 LEU A 60 -10.880 -3.010 2.775 1.00 44.32 H new ATOM 0 HD12 LEU A 60 -9.430 -3.145 1.752 1.00 44.32 H new ATOM 0 HD13 LEU A 60 -9.670 -4.271 3.109 1.00 44.32 H new ATOM 0 HD21 LEU A 60 -10.712 -2.136 5.077 1.00 1.22 H new ATOM 0 HD22 LEU A 60 -9.487 -3.349 5.518 1.00 1.22 H new ATOM 0 HD23 LEU A 60 -9.143 -1.617 5.736 1.00 1.22 H new ATOM 917 N ASN A 61 -7.943 -1.027 0.730 1.00 74.44 N ATOM 918 CA ASN A 61 -8.288 0.236 0.062 1.00 33.41 C ATOM 919 C ASN A 61 -9.635 0.795 0.576 1.00 64.24 C ATOM 920 O ASN A 61 -10.522 0.037 0.968 1.00 23.30 O ATOM 921 CB ASN A 61 -8.347 0.005 -1.454 1.00 63.21 C ATOM 922 CG ASN A 61 -8.695 1.257 -2.235 1.00 23.14 C ATOM 923 OD1 ASN A 61 -9.860 1.547 -2.463 1.00 3.13 O ATOM 924 ND2 ASN A 61 -7.695 2.008 -2.648 1.00 61.10 N ATOM 0 H ASN A 61 -8.426 -1.841 0.350 1.00 74.44 H new ATOM 0 HA ASN A 61 -7.519 0.974 0.291 1.00 33.41 H new ATOM 0 HB2 ASN A 61 -7.383 -0.372 -1.795 1.00 63.21 H new ATOM 0 HB3 ASN A 61 -9.086 -0.767 -1.669 1.00 63.21 H new ATOM 0 HD21 ASN A 61 -7.882 2.861 -3.175 1.00 61.10 H new ATOM 0 HD22 ASN A 61 -6.734 1.737 -2.440 1.00 61.10 H new ATOM 931 N GLU A 62 -9.776 2.124 0.578 1.00 12.24 N ATOM 932 CA GLU A 62 -11.019 2.786 1.022 1.00 13.31 C ATOM 933 C GLU A 62 -12.000 3.045 -0.140 1.00 31.25 C ATOM 934 O GLU A 62 -13.217 2.961 0.037 1.00 65.43 O ATOM 935 CB GLU A 62 -10.685 4.109 1.729 1.00 33.33 C ATOM 936 CG GLU A 62 -10.217 3.945 3.173 1.00 15.45 C ATOM 937 CD GLU A 62 -11.361 3.640 4.132 1.00 74.31 C ATOM 938 OE1 GLU A 62 -11.738 2.458 4.269 1.00 62.55 O ATOM 939 OE2 GLU A 62 -11.900 4.588 4.742 1.00 73.42 O ATOM 0 H GLU A 62 -9.046 2.769 0.277 1.00 12.24 H new ATOM 0 HA GLU A 62 -11.514 2.107 1.717 1.00 13.31 H new ATOM 0 HB2 GLU A 62 -9.909 4.625 1.163 1.00 33.33 H new ATOM 0 HB3 GLU A 62 -11.568 4.749 1.715 1.00 33.33 H new ATOM 0 HG2 GLU A 62 -9.482 3.141 3.223 1.00 15.45 H new ATOM 0 HG3 GLU A 62 -9.714 4.857 3.493 1.00 15.45 H new ATOM 946 N ARG A 63 -11.469 3.367 -1.321 1.00 75.21 N ATOM 947 CA ARG A 63 -12.296 3.652 -2.505 1.00 23.14 C ATOM 948 C ARG A 63 -13.228 2.473 -2.833 1.00 54.55 C ATOM 949 O ARG A 63 -14.439 2.642 -2.997 1.00 32.25 O ATOM 950 CB ARG A 63 -11.391 3.935 -3.713 1.00 40.55 C ATOM 951 CG ARG A 63 -12.053 4.725 -4.838 1.00 70.32 C ATOM 952 CD ARG A 63 -12.258 6.191 -4.455 1.00 71.40 C ATOM 953 NE ARG A 63 -11.036 6.788 -3.914 1.00 53.41 N ATOM 954 CZ ARG A 63 -10.923 8.030 -3.529 1.00 30.52 C ATOM 955 NH1 ARG A 63 -11.902 8.863 -3.668 1.00 12.23 N ATOM 956 NH2 ARG A 63 -9.818 8.438 -3.002 1.00 44.23 N ATOM 0 H ARG A 63 -10.465 3.438 -1.488 1.00 75.21 H new ATOM 0 HA ARG A 63 -12.910 4.525 -2.285 1.00 23.14 H new ATOM 0 HB2 ARG A 63 -10.513 4.483 -3.371 1.00 40.55 H new ATOM 0 HB3 ARG A 63 -11.037 2.985 -4.114 1.00 40.55 H new ATOM 0 HG2 ARG A 63 -11.437 4.666 -5.735 1.00 70.32 H new ATOM 0 HG3 ARG A 63 -13.015 4.275 -5.082 1.00 70.32 H new ATOM 0 HD2 ARG A 63 -12.580 6.754 -5.331 1.00 71.40 H new ATOM 0 HD3 ARG A 63 -13.056 6.265 -3.717 1.00 71.40 H new ATOM 0 HE ARG A 63 -10.213 6.190 -3.832 1.00 53.41 H new ATOM 0 HH11 ARG A 63 -12.780 8.553 -4.084 1.00 12.23 H new ATOM 0 HH12 ARG A 63 -11.796 9.830 -3.361 1.00 12.23 H new ATOM 0 HH21 ARG A 63 -9.038 7.791 -2.888 1.00 44.23 H new ATOM 0 HH22 ARG A 63 -9.725 9.408 -2.700 1.00 44.23 H new ATOM 970 N THR A 64 -12.640 1.281 -2.928 1.00 4.24 N ATOM 971 CA THR A 64 -13.379 0.053 -3.254 1.00 32.43 C ATOM 972 C THR A 64 -13.685 -0.779 -2.003 1.00 62.55 C ATOM 973 O THR A 64 -14.514 -1.689 -2.046 1.00 4.14 O ATOM 974 CB THR A 64 -12.574 -0.835 -4.231 1.00 72.24 C ATOM 975 OG1 THR A 64 -11.365 -1.285 -3.596 1.00 24.50 O ATOM 976 CG2 THR A 64 -12.228 -0.073 -5.509 1.00 71.42 C ATOM 0 H THR A 64 -11.641 1.135 -2.782 1.00 4.24 H new ATOM 0 HA THR A 64 -14.314 0.372 -3.715 1.00 32.43 H new ATOM 0 HB THR A 64 -13.191 -1.693 -4.498 1.00 72.24 H new ATOM 0 HG1 THR A 64 -10.859 -1.849 -4.218 1.00 24.50 H new ATOM 0 HG21 THR A 64 -11.662 -0.722 -6.178 1.00 71.42 H new ATOM 0 HG22 THR A 64 -13.146 0.245 -6.003 1.00 71.42 H new ATOM 0 HG23 THR A 64 -11.629 0.803 -5.260 1.00 71.42 H new ATOM 984 N ARG A 65 -13.002 -0.467 -0.894 1.00 23.13 N ATOM 985 CA ARG A 65 -13.146 -1.215 0.371 1.00 50.01 C ATOM 986 C ARG A 65 -12.672 -2.676 0.239 1.00 44.42 C ATOM 987 O ARG A 65 -12.992 -3.524 1.075 1.00 5.40 O ATOM 988 CB ARG A 65 -14.599 -1.161 0.862 1.00 4.13 C ATOM 989 CG ARG A 65 -15.081 0.253 1.173 1.00 32.44 C ATOM 990 CD ARG A 65 -16.560 0.278 1.523 1.00 40.24 C ATOM 991 NE ARG A 65 -16.860 -0.526 2.705 1.00 34.24 N ATOM 992 CZ ARG A 65 -17.928 -1.259 2.842 1.00 44.15 C ATOM 993 NH1 ARG A 65 -18.771 -1.378 1.868 1.00 73.44 N ATOM 994 NH2 ARG A 65 -18.139 -1.899 3.944 1.00 41.22 N ATOM 0 H ARG A 65 -12.337 0.305 -0.843 1.00 23.13 H new ATOM 0 HA ARG A 65 -12.504 -0.734 1.109 1.00 50.01 H new ATOM 0 HB2 ARG A 65 -15.248 -1.599 0.104 1.00 4.13 H new ATOM 0 HB3 ARG A 65 -14.695 -1.775 1.757 1.00 4.13 H new ATOM 0 HG2 ARG A 65 -14.504 0.660 2.003 1.00 32.44 H new ATOM 0 HG3 ARG A 65 -14.900 0.897 0.312 1.00 32.44 H new ATOM 0 HD2 ARG A 65 -16.873 1.307 1.697 1.00 40.24 H new ATOM 0 HD3 ARG A 65 -17.138 -0.093 0.677 1.00 40.24 H new ATOM 0 HE ARG A 65 -16.189 -0.513 3.473 1.00 34.24 H new ATOM 0 HH11 ARG A 65 -18.602 -0.896 0.985 1.00 73.44 H new ATOM 0 HH12 ARG A 65 -19.605 -1.954 1.983 1.00 73.44 H new ATOM 0 HH21 ARG A 65 -17.468 -1.831 4.710 1.00 41.22 H new ATOM 0 HH22 ARG A 65 -18.976 -2.472 4.049 1.00 41.22 H new ATOM 1008 N GLN A 66 -11.887 -2.957 -0.799 1.00 3.14 N ATOM 1009 CA GLN A 66 -11.391 -4.317 -1.058 1.00 14.00 C ATOM 1010 C GLN A 66 -9.916 -4.486 -0.652 1.00 0.23 C ATOM 1011 O GLN A 66 -9.163 -3.511 -0.559 1.00 20.04 O ATOM 1012 CB GLN A 66 -11.556 -4.663 -2.547 1.00 72.21 C ATOM 1013 CG GLN A 66 -12.998 -4.628 -3.043 1.00 45.52 C ATOM 1014 CD GLN A 66 -13.902 -5.597 -2.298 1.00 53.44 C ATOM 1015 OE1 GLN A 66 -14.531 -5.247 -1.305 1.00 64.10 O ATOM 1016 NE2 GLN A 66 -13.959 -6.831 -2.758 1.00 40.12 N ATOM 0 H GLN A 66 -11.577 -2.263 -1.479 1.00 3.14 H new ATOM 0 HA GLN A 66 -11.984 -4.998 -0.448 1.00 14.00 H new ATOM 0 HB2 GLN A 66 -10.964 -3.965 -3.138 1.00 72.21 H new ATOM 0 HB3 GLN A 66 -11.147 -5.658 -2.724 1.00 72.21 H new ATOM 0 HG2 GLN A 66 -13.390 -3.617 -2.935 1.00 45.52 H new ATOM 0 HG3 GLN A 66 -13.017 -4.865 -4.107 1.00 45.52 H new ATOM 0 HE21 GLN A 66 -13.424 -7.092 -3.586 1.00 40.12 H new ATOM 0 HE22 GLN A 66 -14.538 -7.525 -2.286 1.00 40.12 H new ATOM 1025 N ARG A 67 -9.512 -5.733 -0.406 1.00 23.05 N ATOM 1026 CA ARG A 67 -8.108 -6.062 -0.122 1.00 50.33 C ATOM 1027 C ARG A 67 -7.395 -6.582 -1.375 1.00 64.53 C ATOM 1028 O ARG A 67 -8.015 -7.204 -2.244 1.00 41.14 O ATOM 1029 CB ARG A 67 -8.012 -7.118 0.987 1.00 71.43 C ATOM 1030 CG ARG A 67 -8.403 -6.612 2.367 1.00 54.33 C ATOM 1031 CD ARG A 67 -8.318 -7.714 3.417 1.00 71.22 C ATOM 1032 NE ARG A 67 -6.987 -8.328 3.482 1.00 31.44 N ATOM 1033 CZ ARG A 67 -6.323 -8.515 4.591 1.00 31.32 C ATOM 1034 NH1 ARG A 67 -6.789 -8.072 5.713 1.00 1.21 N ATOM 1035 NH2 ARG A 67 -5.185 -9.132 4.570 1.00 44.51 N ATOM 0 H ARG A 67 -10.138 -6.538 -0.397 1.00 23.05 H new ATOM 0 HA ARG A 67 -7.620 -5.144 0.207 1.00 50.33 H new ATOM 0 HB2 ARG A 67 -8.652 -7.961 0.727 1.00 71.43 H new ATOM 0 HB3 ARG A 67 -6.990 -7.495 1.027 1.00 71.43 H new ATOM 0 HG2 ARG A 67 -7.749 -5.788 2.651 1.00 54.33 H new ATOM 0 HG3 ARG A 67 -9.418 -6.217 2.335 1.00 54.33 H new ATOM 0 HD2 ARG A 67 -8.572 -7.301 4.393 1.00 71.22 H new ATOM 0 HD3 ARG A 67 -9.058 -8.482 3.193 1.00 71.22 H new ATOM 0 HE ARG A 67 -6.554 -8.627 2.608 1.00 31.44 H new ATOM 0 HH11 ARG A 67 -7.679 -7.574 5.735 1.00 1.21 H new ATOM 0 HH12 ARG A 67 -6.267 -8.221 6.576 1.00 1.21 H new ATOM 0 HH21 ARG A 67 -4.806 -9.473 3.687 1.00 44.51 H new ATOM 0 HH22 ARG A 67 -4.668 -9.277 5.437 1.00 44.51 H new ATOM 1049 N GLY A 68 -6.093 -6.331 -1.458 1.00 45.31 N ATOM 1050 CA GLY A 68 -5.306 -6.822 -2.581 1.00 74.12 C ATOM 1051 C GLY A 68 -3.858 -6.354 -2.539 1.00 23.44 C ATOM 1052 O GLY A 68 -3.448 -5.652 -1.610 1.00 63.25 O ATOM 0 H GLY A 68 -5.565 -5.796 -0.768 1.00 45.31 H new ATOM 0 HA2 GLY A 68 -5.330 -7.912 -2.586 1.00 74.12 H new ATOM 0 HA3 GLY A 68 -5.764 -6.488 -3.512 1.00 74.12 H new ATOM 1056 N ASP A 69 -3.083 -6.741 -3.547 1.00 52.44 N ATOM 1057 CA ASP A 69 -1.673 -6.356 -3.634 1.00 14.45 C ATOM 1058 C ASP A 69 -1.501 -5.121 -4.527 1.00 60.13 C ATOM 1059 O ASP A 69 -1.940 -5.114 -5.682 1.00 63.40 O ATOM 1060 CB ASP A 69 -0.849 -7.524 -4.185 1.00 74.52 C ATOM 1061 CG ASP A 69 -1.180 -8.830 -3.486 1.00 74.22 C ATOM 1062 OD1 ASP A 69 -0.917 -8.945 -2.273 1.00 63.23 O ATOM 1063 OD2 ASP A 69 -1.734 -9.740 -4.141 1.00 13.10 O ATOM 0 H ASP A 69 -3.406 -7.323 -4.319 1.00 52.44 H new ATOM 0 HA ASP A 69 -1.318 -6.107 -2.634 1.00 14.45 H new ATOM 0 HB2 ASP A 69 -1.035 -7.627 -5.254 1.00 74.52 H new ATOM 0 HB3 ASP A 69 0.213 -7.307 -4.066 1.00 74.52 H new ATOM 1068 N PHE A 70 -0.872 -4.078 -3.996 1.00 60.31 N ATOM 1069 CA PHE A 70 -0.671 -2.833 -4.747 1.00 51.24 C ATOM 1070 C PHE A 70 0.818 -2.451 -4.826 1.00 62.01 C ATOM 1071 O PHE A 70 1.578 -2.664 -3.875 1.00 30.45 O ATOM 1072 CB PHE A 70 -1.477 -1.689 -4.104 1.00 0.22 C ATOM 1073 CG PHE A 70 -1.060 -1.359 -2.690 1.00 20.13 C ATOM 1074 CD1 PHE A 70 -1.613 -2.036 -1.612 1.00 54.31 C ATOM 1075 CD2 PHE A 70 -0.109 -0.377 -2.441 1.00 32.02 C ATOM 1076 CE1 PHE A 70 -1.227 -1.740 -0.318 1.00 23.31 C ATOM 1077 CE2 PHE A 70 0.276 -0.079 -1.148 1.00 63.44 C ATOM 1078 CZ PHE A 70 -0.282 -0.761 -0.088 1.00 21.40 C ATOM 0 H PHE A 70 -0.491 -4.065 -3.050 1.00 60.31 H new ATOM 0 HA PHE A 70 -1.027 -2.998 -5.764 1.00 51.24 H new ATOM 0 HB2 PHE A 70 -1.374 -0.795 -4.720 1.00 0.22 H new ATOM 0 HB3 PHE A 70 -2.533 -1.957 -4.106 1.00 0.22 H new ATOM 0 HD1 PHE A 70 -2.353 -2.803 -1.786 1.00 54.31 H new ATOM 0 HD2 PHE A 70 0.334 0.159 -3.267 1.00 32.02 H new ATOM 0 HE1 PHE A 70 -1.665 -2.274 0.512 1.00 23.31 H new ATOM 0 HE2 PHE A 70 1.014 0.688 -0.968 1.00 63.44 H new ATOM 0 HZ PHE A 70 0.020 -0.529 0.923 1.00 21.40 H new ATOM 1088 N PRO A 71 1.261 -1.896 -5.974 1.00 54.04 N ATOM 1089 CA PRO A 71 2.632 -1.379 -6.130 1.00 62.14 C ATOM 1090 C PRO A 71 2.883 -0.116 -5.281 1.00 23.23 C ATOM 1091 O PRO A 71 2.275 0.936 -5.504 1.00 71.33 O ATOM 1092 CB PRO A 71 2.731 -1.069 -7.631 1.00 23.05 C ATOM 1093 CG PRO A 71 1.321 -0.861 -8.075 1.00 75.42 C ATOM 1094 CD PRO A 71 0.471 -1.760 -7.215 1.00 11.04 C ATOM 0 HA PRO A 71 3.381 -2.093 -5.788 1.00 62.14 H new ATOM 0 HB2 PRO A 71 3.337 -0.181 -7.812 1.00 23.05 H new ATOM 0 HB3 PRO A 71 3.199 -1.890 -8.174 1.00 23.05 H new ATOM 0 HG2 PRO A 71 1.026 0.182 -7.958 1.00 75.42 H new ATOM 0 HG3 PRO A 71 1.205 -1.109 -9.130 1.00 75.42 H new ATOM 0 HD2 PRO A 71 -0.508 -1.322 -7.022 1.00 11.04 H new ATOM 0 HD3 PRO A 71 0.300 -2.726 -7.690 1.00 11.04 H new ATOM 1102 N GLY A 72 3.797 -0.227 -4.318 1.00 64.55 N ATOM 1103 CA GLY A 72 4.051 0.855 -3.370 1.00 55.43 C ATOM 1104 C GLY A 72 4.502 2.173 -4.008 1.00 0.54 C ATOM 1105 O GLY A 72 4.432 3.224 -3.374 1.00 42.53 O ATOM 0 H GLY A 72 4.374 -1.056 -4.174 1.00 64.55 H new ATOM 0 HA2 GLY A 72 3.143 1.037 -2.796 1.00 55.43 H new ATOM 0 HA3 GLY A 72 4.815 0.529 -2.664 1.00 55.43 H new ATOM 1109 N THR A 73 4.959 2.120 -5.257 1.00 32.22 N ATOM 1110 CA THR A 73 5.433 3.321 -5.971 1.00 60.24 C ATOM 1111 C THR A 73 4.365 4.430 -6.049 1.00 42.03 C ATOM 1112 O THR A 73 4.693 5.621 -6.019 1.00 62.40 O ATOM 1113 CB THR A 73 5.915 2.977 -7.404 1.00 43.13 C ATOM 1114 OG1 THR A 73 6.220 4.175 -8.135 1.00 42.03 O ATOM 1115 CG2 THR A 73 4.873 2.168 -8.165 1.00 12.34 C ATOM 0 H THR A 73 5.014 1.260 -5.803 1.00 32.22 H new ATOM 0 HA THR A 73 6.271 3.698 -5.386 1.00 60.24 H new ATOM 0 HB THR A 73 6.817 2.372 -7.307 1.00 43.13 H new ATOM 0 HG1 THR A 73 7.172 4.384 -8.038 1.00 42.03 H new ATOM 0 HG21 THR A 73 5.245 1.945 -9.165 1.00 12.34 H new ATOM 0 HG22 THR A 73 4.677 1.236 -7.634 1.00 12.34 H new ATOM 0 HG23 THR A 73 3.950 2.743 -8.241 1.00 12.34 H new ATOM 1123 N TYR A 74 3.088 4.043 -6.125 1.00 64.04 N ATOM 1124 CA TYR A 74 1.989 5.019 -6.255 1.00 74.40 C ATOM 1125 C TYR A 74 1.586 5.640 -4.908 1.00 12.33 C ATOM 1126 O TYR A 74 0.917 6.671 -4.878 1.00 30.13 O ATOM 1127 CB TYR A 74 0.753 4.367 -6.894 1.00 25.22 C ATOM 1128 CG TYR A 74 0.984 3.863 -8.306 1.00 32.12 C ATOM 1129 CD1 TYR A 74 1.485 2.590 -8.531 1.00 63.01 C ATOM 1130 CD2 TYR A 74 0.698 4.659 -9.414 1.00 43.30 C ATOM 1131 CE1 TYR A 74 1.696 2.121 -9.810 1.00 71.23 C ATOM 1132 CE2 TYR A 74 0.907 4.192 -10.698 1.00 54.42 C ATOM 1133 CZ TYR A 74 1.408 2.922 -10.887 1.00 10.25 C ATOM 1134 OH TYR A 74 1.616 2.444 -12.159 1.00 50.01 O ATOM 0 H TYR A 74 2.786 3.069 -6.099 1.00 64.04 H new ATOM 0 HA TYR A 74 2.365 5.816 -6.896 1.00 74.40 H new ATOM 0 HB2 TYR A 74 0.430 3.534 -6.270 1.00 25.22 H new ATOM 0 HB3 TYR A 74 -0.062 5.091 -6.906 1.00 25.22 H new ATOM 0 HD1 TYR A 74 1.714 1.954 -7.689 1.00 63.01 H new ATOM 0 HD2 TYR A 74 0.307 5.655 -9.267 1.00 43.30 H new ATOM 0 HE1 TYR A 74 2.087 1.126 -9.964 1.00 71.23 H new ATOM 0 HE2 TYR A 74 0.679 4.818 -11.548 1.00 54.42 H new ATOM 0 HH TYR A 74 1.363 3.130 -12.812 1.00 50.01 H new ATOM 1144 N VAL A 75 1.986 5.015 -3.799 1.00 4.04 N ATOM 1145 CA VAL A 75 1.563 5.468 -2.466 1.00 12.44 C ATOM 1146 C VAL A 75 2.711 6.114 -1.675 1.00 54.42 C ATOM 1147 O VAL A 75 3.872 5.718 -1.797 1.00 3.52 O ATOM 1148 CB VAL A 75 0.966 4.300 -1.630 1.00 45.25 C ATOM 1149 CG1 VAL A 75 -0.214 3.659 -2.359 1.00 52.41 C ATOM 1150 CG2 VAL A 75 2.030 3.251 -1.302 1.00 4.03 C ATOM 0 H VAL A 75 2.598 4.199 -3.793 1.00 4.04 H new ATOM 0 HA VAL A 75 0.795 6.222 -2.638 1.00 12.44 H new ATOM 0 HB VAL A 75 0.605 4.716 -0.690 1.00 45.25 H new ATOM 0 HG11 VAL A 75 -0.615 2.845 -1.756 1.00 52.41 H new ATOM 0 HG12 VAL A 75 -0.990 4.407 -2.522 1.00 52.41 H new ATOM 0 HG13 VAL A 75 0.121 3.268 -3.320 1.00 52.41 H new ATOM 0 HG21 VAL A 75 1.581 2.448 -0.717 1.00 4.03 H new ATOM 0 HG22 VAL A 75 2.436 2.843 -2.228 1.00 4.03 H new ATOM 0 HG23 VAL A 75 2.832 3.714 -0.727 1.00 4.03 H new ATOM 1160 N GLU A 76 2.374 7.125 -0.874 1.00 3.04 N ATOM 1161 CA GLU A 76 3.340 7.762 0.033 1.00 2.13 C ATOM 1162 C GLU A 76 2.996 7.458 1.500 1.00 31.24 C ATOM 1163 O GLU A 76 1.838 7.196 1.836 1.00 52.00 O ATOM 1164 CB GLU A 76 3.374 9.285 -0.190 1.00 32.22 C ATOM 1165 CG GLU A 76 2.024 9.979 0.012 1.00 2.33 C ATOM 1166 CD GLU A 76 2.126 11.499 -0.018 1.00 4.14 C ATOM 1167 OE1 GLU A 76 2.670 12.047 -1.001 1.00 24.54 O ATOM 1168 OE2 GLU A 76 1.669 12.151 0.944 1.00 43.00 O ATOM 0 H GLU A 76 1.436 7.525 -0.832 1.00 3.04 H new ATOM 0 HA GLU A 76 4.325 7.351 -0.188 1.00 2.13 H new ATOM 0 HB2 GLU A 76 4.102 9.725 0.492 1.00 32.22 H new ATOM 0 HB3 GLU A 76 3.725 9.485 -1.202 1.00 32.22 H new ATOM 0 HG2 GLU A 76 1.333 9.651 -0.765 1.00 2.33 H new ATOM 0 HG3 GLU A 76 1.601 9.667 0.967 1.00 2.33 H new ATOM 1175 N PHE A 77 4.000 7.503 2.372 1.00 11.54 N ATOM 1176 CA PHE A 77 3.806 7.212 3.797 1.00 4.13 C ATOM 1177 C PHE A 77 3.315 8.448 4.565 1.00 60.10 C ATOM 1178 O PHE A 77 3.932 9.513 4.508 1.00 21.54 O ATOM 1179 CB PHE A 77 5.116 6.695 4.410 1.00 13.15 C ATOM 1180 CG PHE A 77 5.060 6.523 5.909 1.00 52.33 C ATOM 1181 CD1 PHE A 77 4.243 5.561 6.486 1.00 71.52 C ATOM 1182 CD2 PHE A 77 5.820 7.334 6.744 1.00 0.31 C ATOM 1183 CE1 PHE A 77 4.186 5.413 7.857 1.00 61.32 C ATOM 1184 CE2 PHE A 77 5.764 7.187 8.116 1.00 34.44 C ATOM 1185 CZ PHE A 77 4.946 6.226 8.674 1.00 22.31 C ATOM 0 H PHE A 77 4.960 7.738 2.120 1.00 11.54 H new ATOM 0 HA PHE A 77 3.038 6.443 3.880 1.00 4.13 H new ATOM 0 HB2 PHE A 77 5.368 5.738 3.953 1.00 13.15 H new ATOM 0 HB3 PHE A 77 5.920 7.388 4.163 1.00 13.15 H new ATOM 0 HD1 PHE A 77 3.645 4.921 5.855 1.00 71.52 H new ATOM 0 HD2 PHE A 77 6.462 8.088 6.314 1.00 0.31 H new ATOM 0 HE1 PHE A 77 3.546 4.660 8.292 1.00 61.32 H new ATOM 0 HE2 PHE A 77 6.360 7.824 8.752 1.00 34.44 H new ATOM 0 HZ PHE A 77 4.900 6.110 9.747 1.00 22.31 H new ATOM 1195 N LEU A 78 2.204 8.294 5.288 1.00 51.21 N ATOM 1196 CA LEU A 78 1.651 9.386 6.100 1.00 65.32 C ATOM 1197 C LEU A 78 2.031 9.225 7.585 1.00 43.22 C ATOM 1198 O LEU A 78 2.822 10.004 8.129 1.00 3.45 O ATOM 1199 CB LEU A 78 0.122 9.433 5.951 1.00 42.30 C ATOM 1200 CG LEU A 78 -0.402 9.603 4.514 1.00 62.51 C ATOM 1201 CD1 LEU A 78 -1.928 9.602 4.495 1.00 55.42 C ATOM 1202 CD2 LEU A 78 0.145 10.883 3.884 1.00 73.21 C ATOM 0 H LEU A 78 1.669 7.427 5.330 1.00 51.21 H new ATOM 0 HA LEU A 78 2.077 10.323 5.740 1.00 65.32 H new ATOM 0 HB2 LEU A 78 -0.294 8.514 6.364 1.00 42.30 H new ATOM 0 HB3 LEU A 78 -0.259 10.255 6.557 1.00 42.30 H new ATOM 0 HG LEU A 78 -0.051 8.758 3.922 1.00 62.51 H new ATOM 0 HD11 LEU A 78 -2.279 9.723 3.470 1.00 55.42 H new ATOM 0 HD12 LEU A 78 -2.296 8.657 4.895 1.00 55.42 H new ATOM 0 HD13 LEU A 78 -2.300 10.425 5.106 1.00 55.42 H new ATOM 0 HD21 LEU A 78 -0.239 10.982 2.869 1.00 73.21 H new ATOM 0 HD22 LEU A 78 -0.169 11.743 4.476 1.00 73.21 H new ATOM 0 HD23 LEU A 78 1.234 10.839 3.857 1.00 73.21 H new ATOM 1214 N GLY A 79 1.479 8.197 8.228 1.00 40.02 N ATOM 1215 CA GLY A 79 1.743 7.960 9.644 1.00 43.21 C ATOM 1216 C GLY A 79 1.079 6.691 10.173 1.00 60.23 C ATOM 1217 O GLY A 79 0.431 5.966 9.415 1.00 12.11 O ATOM 0 H GLY A 79 0.851 7.520 7.794 1.00 40.02 H new ATOM 0 HA2 GLY A 79 2.820 7.892 9.800 1.00 43.21 H new ATOM 0 HA3 GLY A 79 1.391 8.815 10.221 1.00 43.21 H new ATOM 1221 N PRO A 80 1.235 6.390 11.476 1.00 2.30 N ATOM 1222 CA PRO A 80 0.637 5.197 12.110 1.00 34.13 C ATOM 1223 C PRO A 80 -0.889 5.311 12.303 1.00 31.44 C ATOM 1224 O PRO A 80 -1.464 6.393 12.186 1.00 2.14 O ATOM 1225 CB PRO A 80 1.352 5.114 13.476 1.00 33.41 C ATOM 1226 CG PRO A 80 2.464 6.115 13.413 1.00 2.21 C ATOM 1227 CD PRO A 80 2.015 7.169 12.444 1.00 44.01 C ATOM 0 HA PRO A 80 0.767 4.311 11.488 1.00 34.13 H new ATOM 0 HB2 PRO A 80 0.666 5.342 14.292 1.00 33.41 H new ATOM 0 HB3 PRO A 80 1.738 4.111 13.655 1.00 33.41 H new ATOM 0 HG2 PRO A 80 2.658 6.545 14.396 1.00 2.21 H new ATOM 0 HG3 PRO A 80 3.391 5.648 13.080 1.00 2.21 H new ATOM 0 HD2 PRO A 80 1.412 7.937 12.929 1.00 44.01 H new ATOM 0 HD3 PRO A 80 2.858 7.675 11.974 1.00 44.01 H new ATOM 1235 N LEU A 81 -1.539 4.185 12.600 1.00 2.13 N ATOM 1236 CA LEU A 81 -2.996 4.157 12.803 1.00 25.41 C ATOM 1237 C LEU A 81 -3.388 3.494 14.138 1.00 53.20 C ATOM 1238 O LEU A 81 -2.685 2.620 14.644 1.00 73.41 O ATOM 1239 CB LEU A 81 -3.678 3.455 11.613 1.00 75.21 C ATOM 1240 CG LEU A 81 -3.088 2.089 11.203 1.00 11.42 C ATOM 1241 CD1 LEU A 81 -3.577 0.963 12.110 1.00 44.30 C ATOM 1242 CD2 LEU A 81 -3.407 1.783 9.743 1.00 21.15 C ATOM 0 H LEU A 81 -1.084 3.278 12.706 1.00 2.13 H new ATOM 0 HA LEU A 81 -3.345 5.188 12.855 1.00 25.41 H new ATOM 0 HB2 LEU A 81 -4.732 3.315 11.855 1.00 75.21 H new ATOM 0 HB3 LEU A 81 -3.634 4.121 10.751 1.00 75.21 H new ATOM 0 HG LEU A 81 -2.006 2.152 11.318 1.00 11.42 H new ATOM 0 HD11 LEU A 81 -3.138 0.019 11.787 1.00 44.30 H new ATOM 0 HD12 LEU A 81 -3.279 1.169 13.138 1.00 44.30 H new ATOM 0 HD13 LEU A 81 -4.663 0.896 12.054 1.00 44.30 H new ATOM 0 HD21 LEU A 81 -2.983 0.816 9.473 1.00 21.15 H new ATOM 0 HD22 LEU A 81 -4.488 1.756 9.605 1.00 21.15 H new ATOM 0 HD23 LEU A 81 -2.979 2.558 9.107 1.00 21.15 H new