USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 701 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 53 SER OG : rot 159:sc= 0.711 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.246 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -128:sc= 1.16 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= -0.0128 (180deg=-0.11) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0.44 (180deg=0.433) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0527 USER MOD Single : A 56 THR OG1 : rot 163:sc= 0.853 USER MOD Single : A 65 MET CE :methyl 165:sc= 0 (180deg=-0.13) USER MOD Single : A 66 GLN : amide:sc= -0.511 K(o=-0.51,f=-2.1) USER MOD Single : A 70 SER OG : rot 34:sc= 0.11 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 102 HIS : no HD1:sc= -0.856 X(o=-0.86,f=-0.96) USER MOD Single : A 105 THR OG1 : rot 153:sc= 0.205 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 -11.259 -12.234 5.082 1.00 20.25 N ATOM 42 CA LEU A 4 -11.224 -11.069 4.202 1.00 4.53 C ATOM 43 C LEU A 4 -10.918 -11.525 2.773 1.00 14.32 C ATOM 44 O LEU A 4 -10.539 -12.674 2.536 1.00 71.14 O ATOM 45 CB LEU A 4 -10.194 -10.060 4.740 1.00 12.13 C ATOM 46 CG LEU A 4 -10.591 -9.583 6.157 1.00 75.04 C ATOM 47 CD1 LEU A 4 -9.510 -9.904 7.193 1.00 33.25 C ATOM 48 CD2 LEU A 4 -10.954 -8.102 6.169 1.00 4.45 C ATOM 0 HA LEU A 4 -12.191 -10.566 4.181 1.00 4.53 H new ATOM 0 HB2 LEU A 4 -9.206 -10.520 4.768 1.00 12.13 H new ATOM 0 HB3 LEU A 4 -10.128 -9.205 4.067 1.00 12.13 H new ATOM 0 HG LEU A 4 -11.483 -10.141 6.442 1.00 75.04 H new ATOM 0 HD11 LEU A 4 -9.830 -9.552 8.174 1.00 33.25 H new ATOM 0 HD12 LEU A 4 -9.349 -10.981 7.229 1.00 33.25 H new ATOM 0 HD13 LEU A 4 -8.580 -9.408 6.915 1.00 33.25 H new ATOM 0 HD21 LEU A 4 -11.227 -7.803 7.181 1.00 4.45 H new ATOM 0 HD22 LEU A 4 -10.098 -7.515 5.836 1.00 4.45 H new ATOM 0 HD23 LEU A 4 -11.796 -7.928 5.499 1.00 4.45 H new ATOM 59 N SER A 5 -11.054 -10.614 1.816 1.00 43.41 N ATOM 60 CA SER A 5 -10.572 -10.804 0.453 1.00 20.21 C ATOM 61 C SER A 5 -9.656 -9.617 0.151 1.00 3.22 C ATOM 62 O SER A 5 -9.759 -8.590 0.828 1.00 13.11 O ATOM 63 CB SER A 5 -11.757 -10.912 -0.530 1.00 51.13 C ATOM 64 OG SER A 5 -12.898 -11.541 0.044 1.00 44.10 O ATOM 0 H SER A 5 -11.507 -9.713 1.967 1.00 43.41 H new ATOM 0 HA SER A 5 -10.016 -11.735 0.341 1.00 20.21 H new ATOM 0 HB2 SER A 5 -12.032 -9.914 -0.871 1.00 51.13 H new ATOM 0 HB3 SER A 5 -11.443 -11.474 -1.410 1.00 51.13 H new ATOM 0 HG SER A 5 -13.618 -11.582 -0.620 1.00 44.10 H new ATOM 69 N THR A 6 -8.797 -9.718 -0.861 1.00 35.41 N ATOM 70 CA THR A 6 -7.958 -8.602 -1.275 1.00 20.32 C ATOM 71 C THR A 6 -8.822 -7.373 -1.581 1.00 23.13 C ATOM 72 O THR A 6 -8.500 -6.262 -1.156 1.00 61.22 O ATOM 73 CB THR A 6 -7.101 -9.018 -2.480 1.00 22.25 C ATOM 74 OG1 THR A 6 -6.479 -10.269 -2.241 1.00 24.44 O ATOM 75 CG2 THR A 6 -6.023 -7.973 -2.743 1.00 15.42 C ATOM 0 H THR A 6 -8.665 -10.567 -1.410 1.00 35.41 H new ATOM 0 HA THR A 6 -7.283 -8.329 -0.464 1.00 20.32 H new ATOM 0 HB THR A 6 -7.755 -9.100 -3.348 1.00 22.25 H new ATOM 0 HG1 THR A 6 -5.516 -10.193 -2.408 1.00 24.44 H new ATOM 0 HG21 THR A 6 -5.422 -8.278 -3.599 1.00 15.42 H new ATOM 0 HG22 THR A 6 -6.492 -7.012 -2.953 1.00 15.42 H new ATOM 0 HG23 THR A 6 -5.384 -7.881 -1.865 1.00 15.42 H new ATOM 83 N ASP A 7 -9.953 -7.589 -2.263 1.00 51.52 N ATOM 84 CA ASP A 7 -10.882 -6.520 -2.624 1.00 44.50 C ATOM 85 C ASP A 7 -11.415 -5.778 -1.393 1.00 64.22 C ATOM 86 O ASP A 7 -11.596 -4.562 -1.450 1.00 53.43 O ATOM 87 CB ASP A 7 -12.023 -7.053 -3.504 1.00 13.51 C ATOM 88 CG ASP A 7 -13.369 -7.216 -2.784 1.00 62.44 C ATOM 89 OD1 ASP A 7 -13.562 -8.225 -2.076 1.00 54.33 O ATOM 90 OD2 ASP A 7 -14.251 -6.353 -3.010 1.00 23.04 O ATOM 0 H ASP A 7 -10.247 -8.513 -2.579 1.00 51.52 H new ATOM 0 HA ASP A 7 -10.324 -5.790 -3.210 1.00 44.50 H new ATOM 0 HB2 ASP A 7 -12.158 -6.377 -4.348 1.00 13.51 H new ATOM 0 HB3 ASP A 7 -11.727 -8.019 -3.913 1.00 13.51 H new ATOM 94 N ILE A 8 -11.606 -6.491 -0.275 1.00 73.02 N ATOM 95 CA ILE A 8 -12.148 -5.969 0.971 1.00 14.33 C ATOM 96 C ILE A 8 -11.194 -4.960 1.597 1.00 23.45 C ATOM 97 O ILE A 8 -11.638 -3.868 1.957 1.00 22.33 O ATOM 98 CB ILE A 8 -12.472 -7.099 1.968 1.00 40.24 C ATOM 99 CG1 ILE A 8 -13.475 -8.115 1.401 1.00 73.42 C ATOM 100 CG2 ILE A 8 -12.990 -6.522 3.298 1.00 32.12 C ATOM 101 CD1 ILE A 8 -14.821 -7.531 0.977 1.00 34.11 C ATOM 0 H ILE A 8 -11.376 -7.483 -0.219 1.00 73.02 H new ATOM 0 HA ILE A 8 -13.082 -5.460 0.732 1.00 14.33 H new ATOM 0 HB ILE A 8 -11.540 -7.633 2.150 1.00 40.24 H new ATOM 0 HG12 ILE A 8 -13.023 -8.607 0.540 1.00 73.42 H new ATOM 0 HG13 ILE A 8 -13.651 -8.885 2.152 1.00 73.42 H new ATOM 0 HG21 ILE A 8 -13.212 -7.337 3.986 1.00 32.12 H new ATOM 0 HG22 ILE A 8 -12.229 -5.875 3.735 1.00 32.12 H new ATOM 0 HG23 ILE A 8 -13.896 -5.944 3.116 1.00 32.12 H new ATOM 0 HD11 ILE A 8 -15.458 -8.327 0.591 1.00 34.11 H new ATOM 0 HD12 ILE A 8 -15.303 -7.066 1.837 1.00 34.11 H new ATOM 0 HD13 ILE A 8 -14.664 -6.783 0.200 1.00 34.11 H new ATOM 112 N TRP A 9 -9.914 -5.316 1.767 1.00 22.43 N ATOM 113 CA TRP A 9 -8.977 -4.401 2.407 1.00 23.04 C ATOM 114 C TRP A 9 -8.920 -3.118 1.606 1.00 2.45 C ATOM 115 O TRP A 9 -9.084 -2.052 2.190 1.00 33.01 O ATOM 116 CB TRP A 9 -7.572 -4.976 2.538 1.00 32.04 C ATOM 117 CG TRP A 9 -7.432 -6.191 3.396 1.00 22.01 C ATOM 118 CD1 TRP A 9 -7.850 -6.327 4.675 1.00 51.13 C ATOM 119 CD2 TRP A 9 -6.832 -7.466 3.035 1.00 32.41 C ATOM 120 NE1 TRP A 9 -7.513 -7.585 5.133 1.00 64.41 N ATOM 121 CE2 TRP A 9 -6.931 -8.350 4.145 1.00 22.05 C ATOM 122 CE3 TRP A 9 -6.228 -7.960 1.864 1.00 63.34 C ATOM 123 CZ2 TRP A 9 -6.487 -9.680 4.083 1.00 34.35 C ATOM 124 CZ3 TRP A 9 -5.789 -9.296 1.780 1.00 64.12 C ATOM 125 CH2 TRP A 9 -5.924 -10.156 2.886 1.00 44.22 C ATOM 0 H TRP A 9 -9.516 -6.209 1.477 1.00 22.43 H new ATOM 0 HA TRP A 9 -9.340 -4.220 3.419 1.00 23.04 H new ATOM 0 HB2 TRP A 9 -7.207 -5.218 1.540 1.00 32.04 H new ATOM 0 HB3 TRP A 9 -6.920 -4.199 2.936 1.00 32.04 H new ATOM 0 HD1 TRP A 9 -8.366 -5.571 5.248 1.00 51.13 H new ATOM 0 HE1 TRP A 9 -7.675 -7.909 6.087 1.00 64.41 H new ATOM 0 HE3 TRP A 9 -6.099 -7.304 1.016 1.00 63.34 H new ATOM 0 HZ2 TRP A 9 -6.577 -10.328 4.942 1.00 34.35 H new ATOM 0 HZ3 TRP A 9 -5.348 -9.661 0.864 1.00 64.12 H new ATOM 0 HH2 TRP A 9 -5.595 -11.182 2.815 1.00 44.22 H new ATOM 135 N VAL A 10 -8.741 -3.226 0.287 1.00 4.14 N ATOM 136 CA VAL A 10 -8.692 -2.078 -0.602 1.00 2.33 C ATOM 137 C VAL A 10 -9.994 -1.270 -0.472 1.00 60.11 C ATOM 138 O VAL A 10 -9.945 -0.042 -0.381 1.00 22.33 O ATOM 139 CB VAL A 10 -8.393 -2.565 -2.036 1.00 64.42 C ATOM 140 CG1 VAL A 10 -8.363 -1.405 -3.035 1.00 0.31 C ATOM 141 CG2 VAL A 10 -7.027 -3.276 -2.105 1.00 63.24 C ATOM 0 H VAL A 10 -8.626 -4.120 -0.190 1.00 4.14 H new ATOM 0 HA VAL A 10 -7.886 -1.397 -0.329 1.00 2.33 H new ATOM 0 HB VAL A 10 -9.196 -3.255 -2.297 1.00 64.42 H new ATOM 0 HG11 VAL A 10 -8.150 -1.789 -4.032 1.00 0.31 H new ATOM 0 HG12 VAL A 10 -9.331 -0.903 -3.039 1.00 0.31 H new ATOM 0 HG13 VAL A 10 -7.587 -0.696 -2.746 1.00 0.31 H new ATOM 0 HG21 VAL A 10 -6.841 -3.609 -3.126 1.00 63.24 H new ATOM 0 HG22 VAL A 10 -6.241 -2.585 -1.800 1.00 63.24 H new ATOM 0 HG23 VAL A 10 -7.031 -4.138 -1.438 1.00 63.24 H new ATOM 151 N ALA A 11 -11.156 -1.931 -0.429 1.00 54.31 N ATOM 152 CA ALA A 11 -12.447 -1.261 -0.342 1.00 3.33 C ATOM 153 C ALA A 11 -12.540 -0.399 0.920 1.00 11.31 C ATOM 154 O ALA A 11 -12.818 0.804 0.823 1.00 14.24 O ATOM 155 CB ALA A 11 -13.600 -2.279 -0.387 1.00 11.31 C ATOM 0 H ALA A 11 -11.222 -2.949 -0.454 1.00 54.31 H new ATOM 0 HA ALA A 11 -12.536 -0.604 -1.207 1.00 3.33 H new ATOM 0 HB1 ALA A 11 -14.552 -1.753 -0.320 1.00 11.31 H new ATOM 0 HB2 ALA A 11 -13.558 -2.836 -1.323 1.00 11.31 H new ATOM 0 HB3 ALA A 11 -13.508 -2.970 0.451 1.00 11.31 H new ATOM 161 N ALA A 12 -12.297 -1.016 2.080 1.00 21.32 N ATOM 162 CA ALA A 12 -12.352 -0.377 3.385 1.00 1.45 C ATOM 163 C ALA A 12 -11.307 0.732 3.470 1.00 12.24 C ATOM 164 O ALA A 12 -11.604 1.849 3.878 1.00 22.05 O ATOM 165 CB ALA A 12 -12.113 -1.431 4.473 1.00 75.22 C ATOM 0 H ALA A 12 -12.050 -2.004 2.131 1.00 21.32 H new ATOM 0 HA ALA A 12 -13.335 0.071 3.533 1.00 1.45 H new ATOM 0 HB1 ALA A 12 -12.153 -0.957 5.454 1.00 75.22 H new ATOM 0 HB2 ALA A 12 -12.883 -2.200 4.410 1.00 75.22 H new ATOM 0 HB3 ALA A 12 -11.133 -1.886 4.330 1.00 75.22 H new ATOM 171 N LEU A 13 -10.069 0.427 3.103 1.00 43.13 N ATOM 172 CA LEU A 13 -8.946 1.341 3.080 1.00 73.12 C ATOM 173 C LEU A 13 -9.268 2.622 2.326 1.00 64.30 C ATOM 174 O LEU A 13 -9.055 3.691 2.889 1.00 52.40 O ATOM 175 CB LEU A 13 -7.724 0.629 2.495 1.00 2.13 C ATOM 176 CG LEU A 13 -6.590 1.578 2.089 1.00 33.04 C ATOM 177 CD1 LEU A 13 -6.029 2.356 3.287 1.00 2.35 C ATOM 178 CD2 LEU A 13 -5.512 0.719 1.442 1.00 24.45 C ATOM 0 H LEU A 13 -9.814 -0.513 2.799 1.00 43.13 H new ATOM 0 HA LEU A 13 -8.722 1.643 4.103 1.00 73.12 H new ATOM 0 HB2 LEU A 13 -7.344 -0.083 3.228 1.00 2.13 H new ATOM 0 HB3 LEU A 13 -8.034 0.054 1.623 1.00 2.13 H new ATOM 0 HG LEU A 13 -6.963 2.333 1.396 1.00 33.04 H new ATOM 0 HD11 LEU A 13 -5.229 3.015 2.950 1.00 2.35 H new ATOM 0 HD12 LEU A 13 -6.823 2.951 3.739 1.00 2.35 H new ATOM 0 HD13 LEU A 13 -5.637 1.656 4.024 1.00 2.35 H new ATOM 0 HD21 LEU A 13 -4.679 1.351 1.134 1.00 24.45 H new ATOM 0 HD22 LEU A 13 -5.159 -0.023 2.158 1.00 24.45 H new ATOM 0 HD23 LEU A 13 -5.925 0.213 0.570 1.00 24.45 H new ATOM 189 N ILE A 14 -9.738 2.531 1.080 1.00 35.13 N ATOM 190 CA ILE A 14 -10.039 3.714 0.278 1.00 42.21 C ATOM 191 C ILE A 14 -10.993 4.625 1.049 1.00 23.35 C ATOM 192 O ILE A 14 -10.667 5.789 1.277 1.00 43.32 O ATOM 193 CB ILE A 14 -10.530 3.278 -1.122 1.00 64.21 C ATOM 194 CG1 ILE A 14 -9.350 2.793 -1.984 1.00 43.23 C ATOM 195 CG2 ILE A 14 -11.272 4.374 -1.900 1.00 0.45 C ATOM 196 CD1 ILE A 14 -8.349 3.895 -2.292 1.00 75.31 C ATOM 0 H ILE A 14 -9.918 1.646 0.605 1.00 35.13 H new ATOM 0 HA ILE A 14 -9.147 4.315 0.098 1.00 42.21 H new ATOM 0 HB ILE A 14 -11.240 2.473 -0.931 1.00 64.21 H new ATOM 0 HG12 ILE A 14 -8.840 1.980 -1.468 1.00 43.23 H new ATOM 0 HG13 ILE A 14 -9.733 2.386 -2.920 1.00 43.23 H new ATOM 0 HG21 ILE A 14 -11.582 3.985 -2.870 1.00 0.45 H new ATOM 0 HG22 ILE A 14 -12.151 4.688 -1.337 1.00 0.45 H new ATOM 0 HG23 ILE A 14 -10.611 5.228 -2.046 1.00 0.45 H new ATOM 0 HD11 ILE A 14 -7.541 3.492 -2.902 1.00 75.31 H new ATOM 0 HD12 ILE A 14 -8.848 4.698 -2.835 1.00 75.31 H new ATOM 0 HD13 ILE A 14 -7.940 4.286 -1.360 1.00 75.31 H new ATOM 207 N ARG A 15 -12.089 4.056 1.557 1.00 35.34 N ATOM 208 CA ARG A 15 -13.030 4.766 2.422 1.00 53.13 C ATOM 209 C ARG A 15 -12.294 5.434 3.587 1.00 63.14 C ATOM 210 O ARG A 15 -12.507 6.614 3.852 1.00 32.01 O ATOM 211 CB ARG A 15 -14.111 3.798 2.939 1.00 11.53 C ATOM 212 CG ARG A 15 -15.196 3.413 1.925 1.00 34.24 C ATOM 213 CD ARG A 15 -16.400 4.371 1.932 1.00 23.12 C ATOM 214 NE ARG A 15 -16.430 5.278 0.781 1.00 2.24 N ATOM 215 CZ ARG A 15 -16.752 4.961 -0.474 1.00 4.14 C ATOM 216 NH1 ARG A 15 -17.009 3.690 -0.784 1.00 40.24 N ATOM 217 NH2 ARG A 15 -16.864 5.903 -1.398 1.00 53.33 N ATOM 0 H ARG A 15 -12.348 3.086 1.378 1.00 35.34 H new ATOM 0 HA ARG A 15 -13.517 5.548 1.840 1.00 53.13 H new ATOM 0 HB2 ARG A 15 -13.622 2.887 3.285 1.00 11.53 H new ATOM 0 HB3 ARG A 15 -14.593 4.250 3.806 1.00 11.53 H new ATOM 0 HG2 ARG A 15 -14.760 3.395 0.926 1.00 34.24 H new ATOM 0 HG3 ARG A 15 -15.543 2.402 2.140 1.00 34.24 H new ATOM 0 HD2 ARG A 15 -17.320 3.786 1.948 1.00 23.12 H new ATOM 0 HD3 ARG A 15 -16.381 4.960 2.849 1.00 23.12 H new ATOM 0 HE ARG A 15 -16.179 6.251 0.958 1.00 2.24 H new ATOM 0 HH11 ARG A 15 -16.959 2.969 -0.064 1.00 40.24 H new ATOM 0 HH12 ARG A 15 -17.256 3.438 -1.741 1.00 40.24 H new ATOM 0 HH21 ARG A 15 -16.704 6.880 -1.152 1.00 53.33 H new ATOM 0 HH22 ARG A 15 -17.111 5.652 -2.355 1.00 53.33 H new ATOM 228 N ARG A 16 -11.467 4.695 4.329 1.00 0.45 N ATOM 229 CA ARG A 16 -10.857 5.130 5.585 1.00 44.14 C ATOM 230 C ARG A 16 -9.826 6.231 5.368 1.00 75.31 C ATOM 231 O ARG A 16 -9.710 7.124 6.210 1.00 1.34 O ATOM 232 CB ARG A 16 -10.213 3.903 6.250 1.00 24.33 C ATOM 233 CG ARG A 16 -11.284 2.942 6.792 1.00 54.21 C ATOM 234 CD ARG A 16 -10.727 1.533 7.015 1.00 53.10 C ATOM 235 NE ARG A 16 -11.668 0.710 7.792 1.00 1.11 N ATOM 236 CZ ARG A 16 -11.730 0.648 9.127 1.00 72.03 C ATOM 237 NH1 ARG A 16 -11.026 1.494 9.876 1.00 15.33 N ATOM 238 NH2 ARG A 16 -12.503 -0.263 9.713 1.00 40.44 N ATOM 0 H ARG A 16 -11.196 3.748 4.063 1.00 0.45 H new ATOM 0 HA ARG A 16 -11.627 5.553 6.230 1.00 44.14 H new ATOM 0 HB2 ARG A 16 -9.584 3.382 5.528 1.00 24.33 H new ATOM 0 HB3 ARG A 16 -9.564 4.225 7.064 1.00 24.33 H new ATOM 0 HG2 ARG A 16 -11.677 3.330 7.732 1.00 54.21 H new ATOM 0 HG3 ARG A 16 -12.118 2.896 6.092 1.00 54.21 H new ATOM 0 HD2 ARG A 16 -10.532 1.059 6.053 1.00 53.10 H new ATOM 0 HD3 ARG A 16 -9.773 1.594 7.539 1.00 53.10 H new ATOM 0 HE ARG A 16 -12.330 0.138 7.268 1.00 1.11 H new ATOM 0 HH11 ARG A 16 -10.434 2.196 9.433 1.00 15.33 H new ATOM 0 HH12 ARG A 16 -11.079 1.440 10.893 1.00 15.33 H new ATOM 0 HH21 ARG A 16 -13.047 -0.912 9.145 1.00 40.44 H new ATOM 0 HH22 ARG A 16 -12.552 -0.312 10.731 1.00 40.44 H new ATOM 249 N ALA A 17 -9.082 6.167 4.265 1.00 35.03 N ATOM 250 CA ALA A 17 -8.108 7.171 3.874 1.00 51.12 C ATOM 251 C ALA A 17 -8.832 8.458 3.491 1.00 64.14 C ATOM 252 O ALA A 17 -8.525 9.524 4.020 1.00 62.33 O ATOM 253 CB ALA A 17 -7.289 6.636 2.699 1.00 72.44 C ATOM 0 H ALA A 17 -9.146 5.392 3.604 1.00 35.03 H new ATOM 0 HA ALA A 17 -7.435 7.389 4.703 1.00 51.12 H new ATOM 0 HB1 ALA A 17 -6.554 7.383 2.398 1.00 72.44 H new ATOM 0 HB2 ALA A 17 -6.776 5.723 2.999 1.00 72.44 H new ATOM 0 HB3 ALA A 17 -7.952 6.421 1.861 1.00 72.44 H new ATOM 259 N GLU A 18 -9.826 8.352 2.606 1.00 71.23 N ATOM 260 CA GLU A 18 -10.677 9.460 2.191 1.00 44.52 C ATOM 261 C GLU A 18 -11.288 10.162 3.417 1.00 42.43 C ATOM 262 O GLU A 18 -11.320 11.392 3.498 1.00 21.24 O ATOM 263 CB GLU A 18 -11.766 8.905 1.261 1.00 15.13 C ATOM 264 CG GLU A 18 -11.319 8.778 -0.209 1.00 51.32 C ATOM 265 CD GLU A 18 -12.511 8.707 -1.175 1.00 35.34 C ATOM 266 OE1 GLU A 18 -13.503 9.456 -1.025 1.00 22.34 O ATOM 267 OE2 GLU A 18 -12.460 7.911 -2.144 1.00 42.42 O ATOM 0 H GLU A 18 -10.064 7.471 2.150 1.00 71.23 H new ATOM 0 HA GLU A 18 -10.091 10.207 1.657 1.00 44.52 H new ATOM 0 HB2 GLU A 18 -12.076 7.925 1.623 1.00 15.13 H new ATOM 0 HB3 GLU A 18 -12.640 9.554 1.311 1.00 15.13 H new ATOM 0 HG2 GLU A 18 -10.692 9.630 -0.471 1.00 51.32 H new ATOM 0 HG3 GLU A 18 -10.706 7.884 -0.325 1.00 51.32 H new ATOM 272 N LEU A 19 -11.693 9.378 4.425 1.00 4.41 N ATOM 273 CA LEU A 19 -12.265 9.860 5.688 1.00 64.41 C ATOM 274 C LEU A 19 -11.349 10.825 6.427 1.00 51.31 C ATOM 275 O LEU A 19 -11.784 11.648 7.228 1.00 31.24 O ATOM 276 CB LEU A 19 -12.525 8.656 6.616 1.00 15.54 C ATOM 277 CG LEU A 19 -13.905 8.727 7.265 1.00 4.20 C ATOM 278 CD1 LEU A 19 -14.221 7.369 7.896 1.00 63.43 C ATOM 279 CD2 LEU A 19 -14.075 9.797 8.343 1.00 31.23 C ATOM 0 H LEU A 19 -11.630 8.361 4.382 1.00 4.41 H new ATOM 0 HA LEU A 19 -13.183 10.390 5.435 1.00 64.41 H new ATOM 0 HB2 LEU A 19 -12.439 7.732 6.045 1.00 15.54 H new ATOM 0 HB3 LEU A 19 -11.760 8.623 7.392 1.00 15.54 H new ATOM 0 HG LEU A 19 -14.587 8.999 6.459 1.00 4.20 H new ATOM 0 HD11 LEU A 19 -15.205 7.405 8.364 1.00 63.43 H new ATOM 0 HD12 LEU A 19 -14.214 6.599 7.125 1.00 63.43 H new ATOM 0 HD13 LEU A 19 -13.469 7.134 8.650 1.00 63.43 H new ATOM 0 HD21 LEU A 19 -15.091 9.759 8.736 1.00 31.23 H new ATOM 0 HD22 LEU A 19 -13.366 9.615 9.151 1.00 31.23 H new ATOM 0 HD23 LEU A 19 -13.889 10.781 7.912 1.00 31.23 H new ATOM 290 N GLY A 20 -10.056 10.638 6.233 1.00 35.00 N ATOM 291 CA GLY A 20 -8.995 11.409 6.859 1.00 43.12 C ATOM 292 C GLY A 20 -8.623 12.687 6.113 1.00 2.52 C ATOM 293 O GLY A 20 -7.864 13.493 6.656 1.00 51.55 O ATOM 0 H GLY A 20 -9.701 9.914 5.608 1.00 35.00 H new ATOM 0 HA2 GLY A 20 -9.301 11.670 7.872 1.00 43.12 H new ATOM 0 HA3 GLY A 20 -8.108 10.781 6.945 1.00 43.12 H new ATOM 297 N GLY A 21 -9.155 12.904 4.910 1.00 33.12 N ATOM 298 CA GLY A 21 -8.802 14.052 4.084 1.00 33.22 C ATOM 299 C GLY A 21 -7.543 13.775 3.269 1.00 73.44 C ATOM 300 O GLY A 21 -6.723 14.683 3.094 1.00 63.41 O ATOM 0 H GLY A 21 -9.844 12.285 4.483 1.00 33.12 H new ATOM 0 HA2 GLY A 21 -9.628 14.289 3.414 1.00 33.22 H new ATOM 0 HA3 GLY A 21 -8.644 14.925 4.717 1.00 33.22 H new ATOM 304 N ALA A 22 -7.398 12.531 2.797 1.00 32.04 N ATOM 305 CA ALA A 22 -6.407 12.096 1.818 1.00 41.53 C ATOM 306 C ALA A 22 -7.056 12.023 0.427 1.00 55.52 C ATOM 307 O ALA A 22 -8.293 12.063 0.314 1.00 61.42 O ATOM 308 CB ALA A 22 -5.910 10.703 2.227 1.00 75.42 C ATOM 0 H ALA A 22 -8.000 11.767 3.105 1.00 32.04 H new ATOM 0 HA ALA A 22 -5.575 12.799 1.784 1.00 41.53 H new ATOM 0 HB1 ALA A 22 -5.167 10.356 1.509 1.00 75.42 H new ATOM 0 HB2 ALA A 22 -5.460 10.754 3.219 1.00 75.42 H new ATOM 0 HB3 ALA A 22 -6.749 10.008 2.245 1.00 75.42 H new ATOM 314 N PHE A 23 -6.253 11.833 -0.626 1.00 2.51 N ATOM 315 CA PHE A 23 -6.734 11.470 -1.961 1.00 41.34 C ATOM 316 C PHE A 23 -6.230 10.066 -2.271 1.00 21.42 C ATOM 317 O PHE A 23 -5.127 9.873 -2.785 1.00 61.25 O ATOM 318 CB PHE A 23 -6.340 12.504 -3.027 1.00 44.43 C ATOM 319 CG PHE A 23 -7.155 12.427 -4.300 1.00 34.30 C ATOM 320 CD1 PHE A 23 -8.535 12.698 -4.266 1.00 12.52 C ATOM 321 CD2 PHE A 23 -6.534 12.128 -5.527 1.00 72.11 C ATOM 322 CE1 PHE A 23 -9.297 12.655 -5.445 1.00 20.21 C ATOM 323 CE2 PHE A 23 -7.292 12.097 -6.709 1.00 71.04 C ATOM 324 CZ PHE A 23 -8.672 12.358 -6.667 1.00 1.51 C ATOM 0 H PHE A 23 -5.239 11.928 -0.573 1.00 2.51 H new ATOM 0 HA PHE A 23 -7.824 11.471 -1.978 1.00 41.34 H new ATOM 0 HB2 PHE A 23 -6.443 13.503 -2.603 1.00 44.43 H new ATOM 0 HB3 PHE A 23 -5.287 12.370 -3.275 1.00 44.43 H new ATOM 0 HD1 PHE A 23 -9.011 12.941 -3.328 1.00 12.52 H new ATOM 0 HD2 PHE A 23 -5.474 11.922 -5.560 1.00 72.11 H new ATOM 0 HE1 PHE A 23 -10.359 12.849 -5.412 1.00 20.21 H new ATOM 0 HE2 PHE A 23 -6.814 11.872 -7.651 1.00 71.04 H new ATOM 0 HZ PHE A 23 -9.253 12.330 -7.577 1.00 1.51 H new ATOM 333 N ALA A 24 -7.027 9.069 -1.891 1.00 55.54 N ATOM 334 CA ALA A 24 -6.699 7.669 -2.081 1.00 53.41 C ATOM 335 C ALA A 24 -7.456 7.124 -3.286 1.00 13.24 C ATOM 336 O ALA A 24 -8.624 7.463 -3.469 1.00 15.43 O ATOM 337 CB ALA A 24 -7.022 6.911 -0.796 1.00 63.10 C ATOM 0 H ALA A 24 -7.928 9.219 -1.438 1.00 55.54 H new ATOM 0 HA ALA A 24 -5.636 7.543 -2.288 1.00 53.41 H new ATOM 0 HB1 ALA A 24 -6.780 5.856 -0.925 1.00 63.10 H new ATOM 0 HB2 ALA A 24 -6.434 7.320 0.025 1.00 63.10 H new ATOM 0 HB3 ALA A 24 -8.083 7.015 -0.569 1.00 63.10 H new ATOM 343 N THR A 25 -6.836 6.242 -4.069 1.00 72.41 N ATOM 344 CA THR A 25 -7.515 5.517 -5.141 1.00 51.21 C ATOM 345 C THR A 25 -6.765 4.224 -5.452 1.00 71.02 C ATOM 346 O THR A 25 -5.628 4.016 -5.013 1.00 2.14 O ATOM 347 CB THR A 25 -7.725 6.405 -6.378 1.00 61.00 C ATOM 348 OG1 THR A 25 -8.825 5.932 -7.137 1.00 2.54 O ATOM 349 CG2 THR A 25 -6.469 6.493 -7.245 1.00 11.23 C ATOM 0 H THR A 25 -5.847 6.010 -3.977 1.00 72.41 H new ATOM 0 HA THR A 25 -8.514 5.240 -4.806 1.00 51.21 H new ATOM 0 HB THR A 25 -7.940 7.414 -6.026 1.00 61.00 H new ATOM 0 HG1 THR A 25 -8.952 6.505 -7.922 1.00 2.54 H new ATOM 0 HG21 THR A 25 -6.666 7.131 -8.107 1.00 11.23 H new ATOM 0 HG22 THR A 25 -5.652 6.915 -6.660 1.00 11.23 H new ATOM 0 HG23 THR A 25 -6.193 5.496 -7.587 1.00 11.23 H new ATOM 357 N VAL A 26 -7.429 3.319 -6.159 1.00 44.50 N ATOM 358 CA VAL A 26 -6.867 2.037 -6.561 1.00 23.01 C ATOM 359 C VAL A 26 -6.308 2.160 -7.986 1.00 12.31 C ATOM 360 O VAL A 26 -7.048 2.431 -8.927 1.00 61.14 O ATOM 361 CB VAL A 26 -7.910 0.924 -6.321 1.00 54.54 C ATOM 362 CG1 VAL A 26 -9.158 0.946 -7.213 1.00 4.34 C ATOM 363 CG2 VAL A 26 -7.222 -0.430 -6.439 1.00 43.22 C ATOM 0 H VAL A 26 -8.389 3.458 -6.474 1.00 44.50 H new ATOM 0 HA VAL A 26 -6.012 1.743 -5.952 1.00 23.01 H new ATOM 0 HB VAL A 26 -8.296 1.113 -5.319 1.00 54.54 H new ATOM 0 HG11 VAL A 26 -9.811 0.115 -6.946 1.00 4.34 H new ATOM 0 HG12 VAL A 26 -9.691 1.886 -7.070 1.00 4.34 H new ATOM 0 HG13 VAL A 26 -8.860 0.852 -8.257 1.00 4.34 H new ATOM 0 HG21 VAL A 26 -7.950 -1.224 -6.271 1.00 43.22 H new ATOM 0 HG22 VAL A 26 -6.794 -0.535 -7.436 1.00 43.22 H new ATOM 0 HG23 VAL A 26 -6.429 -0.501 -5.694 1.00 43.22 H new ATOM 373 N ALA A 27 -4.990 2.009 -8.146 1.00 41.10 N ATOM 374 CA ALA A 27 -4.310 2.206 -9.426 1.00 43.31 C ATOM 375 C ALA A 27 -4.209 0.906 -10.241 1.00 60.22 C ATOM 376 O ALA A 27 -3.867 0.932 -11.424 1.00 64.23 O ATOM 377 CB ALA A 27 -2.916 2.787 -9.154 1.00 40.42 C ATOM 0 H ALA A 27 -4.363 1.745 -7.386 1.00 41.10 H new ATOM 0 HA ALA A 27 -4.897 2.899 -10.028 1.00 43.31 H new ATOM 0 HB1 ALA A 27 -2.395 2.940 -10.099 1.00 40.42 H new ATOM 0 HB2 ALA A 27 -3.014 3.741 -8.635 1.00 40.42 H new ATOM 0 HB3 ALA A 27 -2.347 2.094 -8.534 1.00 40.42 H new ATOM 383 N ARG A 28 -4.489 -0.258 -9.643 1.00 20.33 N ATOM 384 CA ARG A 28 -4.291 -1.571 -10.277 1.00 40.11 C ATOM 385 C ARG A 28 -5.344 -2.555 -9.793 1.00 72.01 C ATOM 386 O ARG A 28 -5.847 -2.397 -8.682 1.00 4.14 O ATOM 387 CB ARG A 28 -2.885 -2.077 -9.938 1.00 51.42 C ATOM 388 CG ARG A 28 -2.428 -3.327 -10.708 1.00 41.20 C ATOM 389 CD ARG A 28 -0.981 -3.216 -11.221 1.00 33.21 C ATOM 390 NE ARG A 28 -0.909 -3.503 -12.660 1.00 71.10 N ATOM 391 CZ ARG A 28 -1.503 -2.803 -13.636 1.00 44.13 C ATOM 392 NH1 ARG A 28 -2.091 -1.635 -13.369 1.00 21.13 N ATOM 393 NH2 ARG A 28 -1.522 -3.287 -14.870 1.00 15.24 N ATOM 0 H ARG A 28 -4.863 -0.318 -8.696 1.00 20.33 H new ATOM 0 HA ARG A 28 -4.392 -1.476 -11.358 1.00 40.11 H new ATOM 0 HB2 ARG A 28 -2.173 -1.274 -10.128 1.00 51.42 H new ATOM 0 HB3 ARG A 28 -2.843 -2.294 -8.871 1.00 51.42 H new ATOM 0 HG2 ARG A 28 -2.513 -4.199 -10.059 1.00 41.20 H new ATOM 0 HG3 ARG A 28 -3.096 -3.492 -11.553 1.00 41.20 H new ATOM 0 HD2 ARG A 28 -0.598 -2.214 -11.027 1.00 33.21 H new ATOM 0 HD3 ARG A 28 -0.344 -3.912 -10.675 1.00 33.21 H new ATOM 0 HE ARG A 28 -0.355 -4.311 -12.943 1.00 71.10 H new ATOM 0 HH11 ARG A 28 -2.090 -1.270 -12.417 1.00 21.13 H new ATOM 0 HH12 ARG A 28 -2.541 -1.108 -14.117 1.00 21.13 H new ATOM 0 HH21 ARG A 28 -1.086 -4.187 -15.072 1.00 15.24 H new ATOM 0 HH22 ARG A 28 -1.972 -2.759 -15.618 1.00 15.24 H new ATOM 404 N LYS A 29 -5.607 -3.595 -10.578 1.00 73.24 N ATOM 405 CA LYS A 29 -6.446 -4.719 -10.206 1.00 60.23 C ATOM 406 C LYS A 29 -5.591 -5.978 -10.240 1.00 0.45 C ATOM 407 O LYS A 29 -4.691 -6.105 -11.078 1.00 54.41 O ATOM 408 CB LYS A 29 -7.627 -4.800 -11.185 1.00 73.01 C ATOM 409 CG LYS A 29 -8.593 -5.967 -10.934 1.00 3.52 C ATOM 410 CD LYS A 29 -9.411 -5.858 -9.638 1.00 34.04 C ATOM 411 CE LYS A 29 -10.348 -4.644 -9.617 1.00 20.25 C ATOM 412 NZ LYS A 29 -11.290 -4.630 -10.757 1.00 34.22 N ATOM 0 H LYS A 29 -5.227 -3.677 -11.521 1.00 73.24 H new ATOM 0 HA LYS A 29 -6.853 -4.604 -9.201 1.00 60.23 H new ATOM 0 HB2 LYS A 29 -8.187 -3.866 -11.135 1.00 73.01 H new ATOM 0 HB3 LYS A 29 -7.235 -4.883 -12.199 1.00 73.01 H new ATOM 0 HG2 LYS A 29 -9.281 -6.039 -11.776 1.00 3.52 H new ATOM 0 HG3 LYS A 29 -8.021 -6.895 -10.909 1.00 3.52 H new ATOM 0 HD2 LYS A 29 -10.000 -6.766 -9.510 1.00 34.04 H new ATOM 0 HD3 LYS A 29 -8.729 -5.798 -8.789 1.00 34.04 H new ATOM 0 HE2 LYS A 29 -10.912 -4.642 -8.685 1.00 20.25 H new ATOM 0 HE3 LYS A 29 -9.753 -3.731 -9.631 1.00 20.25 H new ATOM 0 HZ1 LYS A 29 -11.986 -3.868 -10.623 1.00 34.22 H new ATOM 0 HZ2 LYS A 29 -10.764 -4.468 -11.640 1.00 34.22 H new ATOM 0 HZ3 LYS A 29 -11.783 -5.544 -10.811 1.00 34.22 H new ATOM 422 N GLY A 30 -5.949 -6.907 -9.366 1.00 33.25 N ATOM 423 CA GLY A 30 -5.395 -8.229 -9.237 1.00 0.34 C ATOM 424 C GLY A 30 -6.508 -9.165 -8.787 1.00 74.42 C ATOM 425 O GLY A 30 -7.685 -8.856 -9.005 1.00 64.40 O ATOM 0 H GLY A 30 -6.688 -6.735 -8.684 1.00 33.25 H new ATOM 0 HA2 GLY A 30 -4.979 -8.562 -10.188 1.00 0.34 H new ATOM 0 HA3 GLY A 30 -4.580 -8.231 -8.514 1.00 0.34 H new ATOM 429 N ASP A 31 -6.167 -10.292 -8.158 1.00 63.43 N ATOM 430 CA ASP A 31 -7.198 -11.225 -7.699 1.00 74.44 C ATOM 431 C ASP A 31 -8.005 -10.551 -6.599 1.00 63.14 C ATOM 432 O ASP A 31 -7.410 -10.052 -5.643 1.00 72.23 O ATOM 433 CB ASP A 31 -6.664 -12.543 -7.115 1.00 12.51 C ATOM 434 CG ASP A 31 -7.626 -13.673 -7.446 1.00 42.40 C ATOM 435 OD1 ASP A 31 -8.832 -13.546 -7.134 1.00 75.44 O ATOM 436 OD2 ASP A 31 -7.218 -14.708 -8.012 1.00 13.41 O ATOM 0 H ASP A 31 -5.208 -10.576 -7.958 1.00 63.43 H new ATOM 0 HA ASP A 31 -7.783 -11.475 -8.584 1.00 74.44 H new ATOM 0 HB2 ASP A 31 -5.677 -12.760 -7.524 1.00 12.51 H new ATOM 0 HB3 ASP A 31 -6.549 -12.454 -6.035 1.00 12.51 H new ATOM 440 N ALA A 32 -9.335 -10.564 -6.676 1.00 33.01 N ATOM 441 CA ALA A 32 -10.151 -10.148 -5.545 1.00 12.53 C ATOM 442 C ALA A 32 -9.977 -11.078 -4.340 1.00 35.35 C ATOM 443 O ALA A 32 -10.151 -10.619 -3.212 1.00 42.12 O ATOM 444 CB ALA A 32 -11.620 -10.060 -5.957 1.00 60.42 C ATOM 0 H ALA A 32 -9.862 -10.855 -7.500 1.00 33.01 H new ATOM 0 HA ALA A 32 -9.811 -9.159 -5.237 1.00 12.53 H new ATOM 0 HB1 ALA A 32 -12.220 -9.748 -5.102 1.00 60.42 H new ATOM 0 HB2 ALA A 32 -11.729 -9.333 -6.762 1.00 60.42 H new ATOM 0 HB3 ALA A 32 -11.960 -11.036 -6.302 1.00 60.42 H new ATOM 450 N ARG A 33 -9.634 -12.357 -4.542 1.00 31.12 N ATOM 451 CA ARG A 33 -9.563 -13.338 -3.467 1.00 62.14 C ATOM 452 C ARG A 33 -8.184 -13.336 -2.842 1.00 75.03 C ATOM 453 O ARG A 33 -8.081 -13.171 -1.626 1.00 55.21 O ATOM 454 CB ARG A 33 -9.971 -14.725 -4.007 1.00 62.33 C ATOM 455 CG ARG A 33 -11.477 -14.929 -3.796 1.00 42.21 C ATOM 456 CD ARG A 33 -12.129 -15.835 -4.842 1.00 0.34 C ATOM 457 NE ARG A 33 -13.527 -16.099 -4.463 1.00 64.13 N ATOM 458 CZ ARG A 33 -14.590 -16.142 -5.270 1.00 11.25 C ATOM 459 NH1 ARG A 33 -14.469 -16.255 -6.585 1.00 62.33 N ATOM 460 NH2 ARG A 33 -15.789 -16.079 -4.717 1.00 0.53 N ATOM 0 H ARG A 33 -9.399 -12.735 -5.460 1.00 31.12 H new ATOM 0 HA ARG A 33 -10.264 -13.075 -2.675 1.00 62.14 H new ATOM 0 HB2 ARG A 33 -9.727 -14.801 -5.067 1.00 62.33 H new ATOM 0 HB3 ARG A 33 -9.411 -15.507 -3.494 1.00 62.33 H new ATOM 0 HG2 ARG A 33 -11.641 -15.355 -2.806 1.00 42.21 H new ATOM 0 HG3 ARG A 33 -11.972 -13.958 -3.811 1.00 42.21 H new ATOM 0 HD2 ARG A 33 -12.091 -15.361 -5.823 1.00 0.34 H new ATOM 0 HD3 ARG A 33 -11.579 -16.773 -4.919 1.00 0.34 H new ATOM 0 HE ARG A 33 -13.703 -16.268 -3.473 1.00 64.13 H new ATOM 0 HH11 ARG A 33 -13.543 -16.312 -7.009 1.00 62.33 H new ATOM 0 HH12 ARG A 33 -15.302 -16.285 -7.173 1.00 62.33 H new ATOM 0 HH21 ARG A 33 -15.880 -16.000 -3.704 1.00 0.53 H new ATOM 0 HH22 ARG A 33 -16.623 -16.109 -5.303 1.00 0.53 H new ATOM 471 N ALA A 34 -7.140 -13.569 -3.639 1.00 42.34 N ATOM 472 CA ALA A 34 -5.791 -13.804 -3.147 1.00 60.12 C ATOM 473 C ALA A 34 -4.758 -13.128 -4.029 1.00 31.33 C ATOM 474 O ALA A 34 -3.762 -13.728 -4.444 1.00 3.55 O ATOM 475 CB ALA A 34 -5.553 -15.306 -2.968 1.00 55.13 C ATOM 0 H ALA A 34 -7.213 -13.599 -4.656 1.00 42.34 H new ATOM 0 HA ALA A 34 -5.680 -13.346 -2.164 1.00 60.12 H new ATOM 0 HB1 ALA A 34 -4.541 -15.473 -2.599 1.00 55.13 H new ATOM 0 HB2 ALA A 34 -6.270 -15.705 -2.251 1.00 55.13 H new ATOM 0 HB3 ALA A 34 -5.678 -15.811 -3.926 1.00 55.13 H new ATOM 481 N GLY A 35 -5.018 -11.857 -4.303 1.00 1.33 N ATOM 482 CA GLY A 35 -4.065 -10.967 -4.912 1.00 62.14 C ATOM 483 C GLY A 35 -3.216 -10.365 -3.801 1.00 14.54 C ATOM 484 O GLY A 35 -3.716 -10.156 -2.689 1.00 41.44 O ATOM 0 H GLY A 35 -5.916 -11.417 -4.101 1.00 1.33 H new ATOM 0 HA2 GLY A 35 -3.438 -11.506 -5.622 1.00 62.14 H new ATOM 0 HA3 GLY A 35 -4.577 -10.183 -5.470 1.00 62.14 H new ATOM 488 N ALA A 36 -1.950 -10.081 -4.102 1.00 1.34 N ATOM 489 CA ALA A 36 -1.111 -9.275 -3.227 1.00 43.21 C ATOM 490 C ALA A 36 -1.489 -7.800 -3.383 1.00 52.42 C ATOM 491 O ALA A 36 -2.228 -7.430 -4.295 1.00 12.44 O ATOM 492 CB ALA A 36 0.366 -9.515 -3.554 1.00 71.40 C ATOM 0 H ALA A 36 -1.484 -10.401 -4.951 1.00 1.34 H new ATOM 0 HA ALA A 36 -1.271 -9.562 -2.188 1.00 43.21 H new ATOM 0 HB1 ALA A 36 0.988 -8.909 -2.895 1.00 71.40 H new ATOM 0 HB2 ALA A 36 0.604 -10.569 -3.409 1.00 71.40 H new ATOM 0 HB3 ALA A 36 0.559 -9.239 -4.591 1.00 71.40 H new ATOM 498 N VAL A 37 -0.941 -6.932 -2.539 1.00 73.14 N ATOM 499 CA VAL A 37 -1.202 -5.498 -2.562 1.00 72.10 C ATOM 500 C VAL A 37 0.141 -4.760 -2.428 1.00 23.23 C ATOM 501 O VAL A 37 1.092 -5.284 -1.841 1.00 42.13 O ATOM 502 CB VAL A 37 -2.229 -5.152 -1.451 1.00 43.12 C ATOM 503 CG1 VAL A 37 -2.723 -3.701 -1.550 1.00 52.10 C ATOM 504 CG2 VAL A 37 -3.476 -6.046 -1.467 1.00 55.11 C ATOM 0 H VAL A 37 -0.290 -7.212 -1.805 1.00 73.14 H new ATOM 0 HA VAL A 37 -1.650 -5.175 -3.502 1.00 72.10 H new ATOM 0 HB VAL A 37 -1.676 -5.315 -0.526 1.00 43.12 H new ATOM 0 HG11 VAL A 37 -3.440 -3.505 -0.752 1.00 52.10 H new ATOM 0 HG12 VAL A 37 -1.877 -3.021 -1.452 1.00 52.10 H new ATOM 0 HG13 VAL A 37 -3.204 -3.545 -2.516 1.00 52.10 H new ATOM 0 HG21 VAL A 37 -4.149 -5.746 -0.663 1.00 55.11 H new ATOM 0 HG22 VAL A 37 -3.986 -5.942 -2.425 1.00 55.11 H new ATOM 0 HG23 VAL A 37 -3.180 -7.085 -1.324 1.00 55.11 H new ATOM 514 N LEU A 38 0.205 -3.525 -2.933 1.00 64.43 N ATOM 515 CA LEU A 38 1.277 -2.544 -2.742 1.00 35.34 C ATOM 516 C LEU A 38 0.656 -1.251 -2.243 1.00 42.21 C ATOM 517 O LEU A 38 -0.470 -0.962 -2.639 1.00 55.40 O ATOM 518 CB LEU A 38 1.963 -2.234 -4.086 1.00 24.05 C ATOM 519 CG LEU A 38 3.065 -3.233 -4.436 1.00 22.22 C ATOM 520 CD1 LEU A 38 3.438 -3.114 -5.916 1.00 53.22 C ATOM 521 CD2 LEU A 38 4.317 -2.976 -3.597 1.00 61.40 C ATOM 0 H LEU A 38 -0.540 -3.160 -3.526 1.00 64.43 H new ATOM 0 HA LEU A 38 2.004 -2.945 -2.036 1.00 35.34 H new ATOM 0 HB2 LEU A 38 1.215 -2.234 -4.879 1.00 24.05 H new ATOM 0 HB3 LEU A 38 2.388 -1.231 -4.048 1.00 24.05 H new ATOM 0 HG LEU A 38 2.686 -4.233 -4.226 1.00 22.22 H new ATOM 0 HD11 LEU A 38 4.224 -3.831 -6.152 1.00 53.22 H new ATOM 0 HD12 LEU A 38 2.562 -3.321 -6.530 1.00 53.22 H new ATOM 0 HD13 LEU A 38 3.794 -2.105 -6.121 1.00 53.22 H new ATOM 0 HD21 LEU A 38 5.088 -3.699 -3.863 1.00 61.40 H new ATOM 0 HD22 LEU A 38 4.683 -1.968 -3.789 1.00 61.40 H new ATOM 0 HD23 LEU A 38 4.074 -3.078 -2.539 1.00 61.40 H new ATOM 532 N VAL A 39 1.378 -0.454 -1.449 1.00 61.00 N ATOM 533 CA VAL A 39 0.890 0.808 -0.892 1.00 11.23 C ATOM 534 C VAL A 39 2.005 1.851 -0.970 1.00 21.45 C ATOM 535 O VAL A 39 2.870 1.899 -0.094 1.00 35.01 O ATOM 536 CB VAL A 39 0.421 0.602 0.564 1.00 54.21 C ATOM 537 CG1 VAL A 39 0.033 1.927 1.240 1.00 4.55 C ATOM 538 CG2 VAL A 39 -0.752 -0.368 0.733 1.00 3.42 C ATOM 0 H VAL A 39 2.335 -0.673 -1.171 1.00 61.00 H new ATOM 0 HA VAL A 39 0.035 1.161 -1.468 1.00 11.23 H new ATOM 0 HB VAL A 39 1.294 0.160 1.044 1.00 54.21 H new ATOM 0 HG11 VAL A 39 -0.290 1.733 2.263 1.00 4.55 H new ATOM 0 HG12 VAL A 39 0.894 2.595 1.253 1.00 4.55 H new ATOM 0 HG13 VAL A 39 -0.780 2.394 0.685 1.00 4.55 H new ATOM 0 HG21 VAL A 39 -1.009 -0.447 1.789 1.00 3.42 H new ATOM 0 HG22 VAL A 39 -1.613 0.002 0.177 1.00 3.42 H new ATOM 0 HG23 VAL A 39 -0.470 -1.350 0.354 1.00 3.42 H new ATOM 548 N LYS A 40 1.999 2.724 -1.974 1.00 75.40 N ATOM 549 CA LYS A 40 2.920 3.863 -2.015 1.00 51.51 C ATOM 550 C LYS A 40 2.139 5.028 -1.398 1.00 20.11 C ATOM 551 O LYS A 40 1.234 5.592 -2.013 1.00 60.21 O ATOM 552 CB LYS A 40 3.436 4.018 -3.460 1.00 61.41 C ATOM 553 CG LYS A 40 4.675 4.896 -3.781 1.00 54.23 C ATOM 554 CD LYS A 40 4.602 6.425 -3.720 1.00 43.10 C ATOM 555 CE LYS A 40 3.706 7.017 -4.799 1.00 53.41 C ATOM 556 NZ LYS A 40 4.184 6.846 -6.197 1.00 41.13 N ATOM 0 H LYS A 40 1.367 2.667 -2.772 1.00 75.40 H new ATOM 0 HA LYS A 40 3.839 3.768 -1.436 1.00 51.51 H new ATOM 0 HB2 LYS A 40 3.651 3.016 -3.830 1.00 61.41 H new ATOM 0 HB3 LYS A 40 2.608 4.406 -4.054 1.00 61.41 H new ATOM 0 HG2 LYS A 40 5.468 4.588 -3.100 1.00 54.23 H new ATOM 0 HG3 LYS A 40 4.999 4.633 -4.788 1.00 54.23 H new ATOM 0 HD2 LYS A 40 4.232 6.728 -2.740 1.00 43.10 H new ATOM 0 HD3 LYS A 40 5.606 6.836 -3.822 1.00 43.10 H new ATOM 0 HE2 LYS A 40 2.718 6.565 -4.714 1.00 53.41 H new ATOM 0 HE3 LYS A 40 3.587 8.083 -4.603 1.00 53.41 H new ATOM 0 HZ1 LYS A 40 3.451 7.176 -6.857 1.00 41.13 H new ATOM 0 HZ2 LYS A 40 5.052 7.401 -6.337 1.00 41.13 H new ATOM 0 HZ3 LYS A 40 4.383 5.841 -6.375 1.00 41.13 H new ATOM 566 N ALA A 41 2.361 5.247 -0.101 1.00 53.31 N ATOM 567 CA ALA A 41 1.794 6.342 0.671 1.00 52.52 C ATOM 568 C ALA A 41 2.687 7.549 0.356 1.00 43.31 C ATOM 569 O ALA A 41 3.901 7.379 0.229 1.00 33.00 O ATOM 570 CB ALA A 41 1.775 5.982 2.181 1.00 73.22 C ATOM 0 H ALA A 41 2.963 4.642 0.457 1.00 53.31 H new ATOM 0 HA ALA A 41 0.756 6.556 0.415 1.00 52.52 H new ATOM 0 HB1 ALA A 41 1.348 6.810 2.747 1.00 73.22 H new ATOM 0 HB2 ALA A 41 1.171 5.088 2.334 1.00 73.22 H new ATOM 0 HB3 ALA A 41 2.793 5.795 2.523 1.00 73.22 H new ATOM 576 N VAL A 42 2.114 8.738 0.187 1.00 1.41 N ATOM 577 CA VAL A 42 2.838 9.901 -0.322 1.00 44.25 C ATOM 578 C VAL A 42 2.835 10.971 0.774 1.00 64.24 C ATOM 579 O VAL A 42 1.896 11.027 1.573 1.00 32.13 O ATOM 580 CB VAL A 42 2.209 10.381 -1.652 1.00 64.34 C ATOM 581 CG1 VAL A 42 3.248 11.129 -2.493 1.00 41.31 C ATOM 582 CG2 VAL A 42 1.683 9.246 -2.559 1.00 64.14 C ATOM 0 H VAL A 42 1.134 8.923 0.399 1.00 1.41 H new ATOM 0 HA VAL A 42 3.874 9.657 -0.556 1.00 44.25 H new ATOM 0 HB VAL A 42 1.372 11.006 -1.341 1.00 64.34 H new ATOM 0 HG11 VAL A 42 2.791 11.461 -3.425 1.00 41.31 H new ATOM 0 HG12 VAL A 42 3.610 11.995 -1.938 1.00 41.31 H new ATOM 0 HG13 VAL A 42 4.083 10.465 -2.714 1.00 41.31 H new ATOM 0 HG21 VAL A 42 1.260 9.673 -3.468 1.00 64.14 H new ATOM 0 HG22 VAL A 42 2.504 8.579 -2.820 1.00 64.14 H new ATOM 0 HG23 VAL A 42 0.913 8.684 -2.030 1.00 64.14 H new ATOM 592 N ASP A 43 3.868 11.815 0.817 1.00 3.14 N ATOM 593 CA ASP A 43 4.165 12.711 1.930 1.00 54.32 C ATOM 594 C ASP A 43 4.279 14.162 1.426 1.00 2.24 C ATOM 595 O ASP A 43 5.327 14.812 1.502 1.00 33.14 O ATOM 596 CB ASP A 43 5.446 12.271 2.659 1.00 64.24 C ATOM 597 CG ASP A 43 5.369 10.982 3.455 1.00 74.13 C ATOM 598 OD1 ASP A 43 5.381 9.875 2.877 1.00 44.44 O ATOM 599 OD2 ASP A 43 5.353 11.073 4.698 1.00 3.42 O ATOM 0 H ASP A 43 4.540 11.894 0.054 1.00 3.14 H new ATOM 0 HA ASP A 43 3.346 12.662 2.647 1.00 54.32 H new ATOM 0 HB2 ASP A 43 6.240 12.167 1.919 1.00 64.24 H new ATOM 0 HB3 ASP A 43 5.744 13.072 3.336 1.00 64.24 H new ATOM 603 N ARG A 44 3.165 14.700 0.922 1.00 44.21 N ATOM 604 CA ARG A 44 3.016 16.018 0.297 1.00 42.14 C ATOM 605 C ARG A 44 3.257 17.210 1.242 1.00 61.04 C ATOM 606 O ARG A 44 3.089 18.340 0.787 1.00 32.32 O ATOM 607 CB ARG A 44 1.608 16.120 -0.323 1.00 24.23 C ATOM 608 CG ARG A 44 1.453 15.264 -1.592 1.00 55.52 C ATOM 609 CD ARG A 44 1.817 16.073 -2.850 1.00 52.15 C ATOM 610 NE ARG A 44 0.719 16.974 -3.262 1.00 60.21 N ATOM 611 CZ ARG A 44 -0.385 16.581 -3.909 1.00 0.53 C ATOM 612 NH1 ARG A 44 -0.530 15.327 -4.301 1.00 44.22 N ATOM 613 NH2 ARG A 44 -1.364 17.437 -4.161 1.00 33.03 N ATOM 0 H ARG A 44 2.281 14.191 0.941 1.00 44.21 H new ATOM 0 HA ARG A 44 3.795 16.088 -0.462 1.00 42.14 H new ATOM 0 HB2 ARG A 44 0.868 15.807 0.414 1.00 24.23 H new ATOM 0 HB3 ARG A 44 1.397 17.162 -0.565 1.00 24.23 H new ATOM 0 HG2 ARG A 44 2.094 14.385 -1.523 1.00 55.52 H new ATOM 0 HG3 ARG A 44 0.427 14.905 -1.670 1.00 55.52 H new ATOM 0 HD2 ARG A 44 2.715 16.660 -2.657 1.00 52.15 H new ATOM 0 HD3 ARG A 44 2.052 15.390 -3.666 1.00 52.15 H new ATOM 0 HE ARG A 44 0.809 17.965 -3.037 1.00 60.21 H new ATOM 0 HH11 ARG A 44 0.205 14.645 -4.111 1.00 44.22 H new ATOM 0 HH12 ARG A 44 -1.376 15.041 -4.793 1.00 44.22 H new ATOM 0 HH21 ARG A 44 -1.282 18.408 -3.861 1.00 33.03 H new ATOM 0 HH22 ARG A 44 -2.200 17.125 -4.655 1.00 33.03 H new ATOM 624 N ARG A 45 3.593 17.035 2.531 1.00 34.31 N ATOM 625 CA ARG A 45 4.088 18.152 3.349 1.00 75.43 C ATOM 626 C ARG A 45 5.560 18.380 3.034 1.00 60.44 C ATOM 627 O ARG A 45 5.967 19.520 2.811 1.00 12.11 O ATOM 628 CB ARG A 45 3.883 17.936 4.866 1.00 33.24 C ATOM 629 CG ARG A 45 2.868 18.943 5.430 1.00 62.45 C ATOM 630 CD ARG A 45 2.677 18.772 6.943 1.00 61.13 C ATOM 631 NE ARG A 45 1.701 19.743 7.480 1.00 14.11 N ATOM 632 CZ ARG A 45 1.818 20.575 8.528 1.00 2.53 C ATOM 633 NH1 ARG A 45 2.960 20.765 9.179 1.00 44.35 N ATOM 634 NH2 ARG A 45 0.745 21.248 8.927 1.00 63.01 N ATOM 0 H ARG A 45 3.532 16.143 3.023 1.00 34.31 H new ATOM 0 HA ARG A 45 3.502 19.035 3.092 1.00 75.43 H new ATOM 0 HB2 ARG A 45 3.534 16.920 5.049 1.00 33.24 H new ATOM 0 HB3 ARG A 45 4.835 18.044 5.385 1.00 33.24 H new ATOM 0 HG2 ARG A 45 3.206 19.957 5.219 1.00 62.45 H new ATOM 0 HG3 ARG A 45 1.910 18.815 4.926 1.00 62.45 H new ATOM 0 HD2 ARG A 45 2.337 17.758 7.155 1.00 61.13 H new ATOM 0 HD3 ARG A 45 3.634 18.900 7.448 1.00 61.13 H new ATOM 0 HE ARG A 45 0.811 19.788 6.984 1.00 14.11 H new ATOM 0 HH11 ARG A 45 3.802 20.267 8.888 1.00 44.35 H new ATOM 0 HH12 ARG A 45 2.995 21.409 9.969 1.00 44.35 H new ATOM 0 HH21 ARG A 45 -0.143 21.127 8.440 1.00 63.01 H new ATOM 0 HH22 ARG A 45 0.809 21.886 9.720 1.00 63.01 H new ATOM 645 N GLU A 46 6.375 17.325 3.044 1.00 2.43 N ATOM 646 CA GLU A 46 7.799 17.406 2.716 1.00 35.03 C ATOM 647 C GLU A 46 8.041 17.227 1.210 1.00 24.02 C ATOM 648 O GLU A 46 9.161 17.433 0.734 1.00 22.00 O ATOM 649 CB GLU A 46 8.576 16.370 3.541 1.00 10.20 C ATOM 650 CG GLU A 46 8.548 16.718 5.035 1.00 11.30 C ATOM 651 CD GLU A 46 9.490 15.835 5.859 1.00 41.13 C ATOM 652 OE1 GLU A 46 10.725 16.037 5.816 1.00 74.03 O ATOM 653 OE2 GLU A 46 9.034 14.927 6.593 1.00 11.51 O ATOM 0 H GLU A 46 6.064 16.383 3.282 1.00 2.43 H new ATOM 0 HA GLU A 46 8.163 18.401 2.974 1.00 35.03 H new ATOM 0 HB2 GLU A 46 8.145 15.381 3.387 1.00 10.20 H new ATOM 0 HB3 GLU A 46 9.608 16.325 3.194 1.00 10.20 H new ATOM 0 HG2 GLU A 46 8.827 17.763 5.167 1.00 11.30 H new ATOM 0 HG3 GLU A 46 7.531 16.609 5.411 1.00 11.30 H new ATOM 658 N GLY A 47 7.005 16.864 0.450 1.00 4.43 N ATOM 659 CA GLY A 47 7.103 16.533 -0.964 1.00 73.15 C ATOM 660 C GLY A 47 7.775 15.183 -1.186 1.00 43.22 C ATOM 661 O GLY A 47 8.161 14.879 -2.318 1.00 74.15 O ATOM 0 H GLY A 47 6.055 16.792 0.814 1.00 4.43 H new ATOM 0 HA2 GLY A 47 6.106 16.519 -1.404 1.00 73.15 H new ATOM 0 HA3 GLY A 47 7.668 17.309 -1.480 1.00 73.15 H new ATOM 665 N THR A 48 7.926 14.383 -0.133 1.00 71.33 N ATOM 666 CA THR A 48 8.529 13.066 -0.178 1.00 72.43 C ATOM 667 C THR A 48 7.447 12.022 -0.483 1.00 52.34 C ATOM 668 O THR A 48 6.266 12.347 -0.647 1.00 72.44 O ATOM 669 CB THR A 48 9.289 12.811 1.143 1.00 3.50 C ATOM 670 OG1 THR A 48 8.532 13.210 2.267 1.00 72.31 O ATOM 671 CG2 THR A 48 10.589 13.624 1.212 1.00 24.41 C ATOM 0 H THR A 48 7.620 14.649 0.803 1.00 71.33 H new ATOM 0 HA THR A 48 9.264 12.992 -0.980 1.00 72.43 H new ATOM 0 HB THR A 48 9.487 11.739 1.159 1.00 3.50 H new ATOM 0 HG1 THR A 48 9.042 13.033 3.085 1.00 72.31 H new ATOM 0 HG21 THR A 48 11.097 13.419 2.155 1.00 24.41 H new ATOM 0 HG22 THR A 48 11.238 13.344 0.382 1.00 24.41 H new ATOM 0 HG23 THR A 48 10.357 14.687 1.148 1.00 24.41 H new ATOM 679 N ALA A 49 7.834 10.754 -0.537 1.00 0.11 N ATOM 680 CA ALA A 49 6.939 9.620 -0.583 1.00 75.05 C ATOM 681 C ALA A 49 7.598 8.467 0.168 1.00 12.12 C ATOM 682 O ALA A 49 8.761 8.541 0.588 1.00 5.33 O ATOM 683 CB ALA A 49 6.642 9.260 -2.045 1.00 12.23 C ATOM 0 H ALA A 49 8.818 10.484 -0.550 1.00 0.11 H new ATOM 0 HA ALA A 49 5.986 9.849 -0.107 1.00 75.05 H new ATOM 0 HB1 ALA A 49 5.967 8.405 -2.079 1.00 12.23 H new ATOM 0 HB2 ALA A 49 6.175 10.111 -2.542 1.00 12.23 H new ATOM 0 HB3 ALA A 49 7.572 9.008 -2.554 1.00 12.23 H new ATOM 689 N ARG A 50 6.850 7.385 0.335 1.00 25.10 N ATOM 690 CA ARG A 50 7.319 6.114 0.878 1.00 1.21 C ATOM 691 C ARG A 50 6.773 5.015 -0.028 1.00 54.44 C ATOM 692 O ARG A 50 5.902 5.277 -0.855 1.00 2.35 O ATOM 693 CB ARG A 50 6.784 5.950 2.311 1.00 11.32 C ATOM 694 CG ARG A 50 7.272 7.048 3.271 1.00 21.43 C ATOM 695 CD ARG A 50 6.442 7.051 4.556 1.00 3.52 C ATOM 696 NE ARG A 50 6.420 8.388 5.161 1.00 1.40 N ATOM 697 CZ ARG A 50 7.021 8.812 6.275 1.00 2.22 C ATOM 698 NH1 ARG A 50 7.884 8.044 6.933 1.00 50.13 N ATOM 699 NH2 ARG A 50 6.743 10.019 6.730 1.00 11.50 N ATOM 0 H ARG A 50 5.861 7.366 0.087 1.00 25.10 H new ATOM 0 HA ARG A 50 8.407 6.068 0.915 1.00 1.21 H new ATOM 0 HB2 ARG A 50 5.694 5.955 2.288 1.00 11.32 H new ATOM 0 HB3 ARG A 50 7.090 4.977 2.697 1.00 11.32 H new ATOM 0 HG2 ARG A 50 8.323 6.887 3.511 1.00 21.43 H new ATOM 0 HG3 ARG A 50 7.202 8.021 2.785 1.00 21.43 H new ATOM 0 HD2 ARG A 50 5.424 6.730 4.337 1.00 3.52 H new ATOM 0 HD3 ARG A 50 6.857 6.334 5.264 1.00 3.52 H new ATOM 0 HE ARG A 50 5.871 9.088 4.663 1.00 1.40 H new ATOM 0 HH11 ARG A 50 8.100 7.108 6.589 1.00 50.13 H new ATOM 0 HH12 ARG A 50 8.331 8.390 7.782 1.00 50.13 H new ATOM 0 HH21 ARG A 50 6.078 10.611 6.232 1.00 11.50 H new ATOM 0 HH22 ARG A 50 7.193 10.360 7.580 1.00 11.50 H new ATOM 710 N LEU A 51 7.241 3.779 0.140 1.00 33.44 N ATOM 711 CA LEU A 51 6.583 2.610 -0.434 1.00 72.22 C ATOM 712 C LEU A 51 6.488 1.572 0.661 1.00 14.53 C ATOM 713 O LEU A 51 7.496 1.267 1.299 1.00 45.40 O ATOM 714 CB LEU A 51 7.334 2.069 -1.654 1.00 33.31 C ATOM 715 CG LEU A 51 6.421 1.816 -2.863 1.00 51.34 C ATOM 716 CD1 LEU A 51 7.294 1.745 -4.097 1.00 54.23 C ATOM 717 CD2 LEU A 51 5.657 0.502 -2.815 1.00 55.43 C ATOM 0 H LEU A 51 8.082 3.562 0.675 1.00 33.44 H new ATOM 0 HA LEU A 51 5.591 2.880 -0.796 1.00 72.22 H new ATOM 0 HB2 LEU A 51 8.113 2.777 -1.937 1.00 33.31 H new ATOM 0 HB3 LEU A 51 7.833 1.139 -1.382 1.00 33.31 H new ATOM 0 HG LEU A 51 5.693 2.628 -2.866 1.00 51.34 H new ATOM 0 HD11 LEU A 51 6.671 1.566 -4.973 1.00 54.23 H new ATOM 0 HD12 LEU A 51 7.829 2.687 -4.219 1.00 54.23 H new ATOM 0 HD13 LEU A 51 8.011 0.931 -3.989 1.00 54.23 H new ATOM 0 HD21 LEU A 51 5.039 0.408 -3.708 1.00 55.43 H new ATOM 0 HD22 LEU A 51 6.363 -0.328 -2.773 1.00 55.43 H new ATOM 0 HD23 LEU A 51 5.021 0.483 -1.930 1.00 55.43 H new ATOM 728 N PHE A 52 5.283 1.058 0.889 1.00 64.20 N ATOM 729 CA PHE A 52 5.077 -0.113 1.716 1.00 5.55 C ATOM 730 C PHE A 52 4.790 -1.286 0.788 1.00 45.51 C ATOM 731 O PHE A 52 3.988 -1.168 -0.143 1.00 1.13 O ATOM 732 CB PHE A 52 3.954 0.095 2.736 1.00 45.44 C ATOM 733 CG PHE A 52 4.211 1.176 3.770 1.00 42.31 C ATOM 734 CD1 PHE A 52 5.149 0.963 4.794 1.00 31.15 C ATOM 735 CD2 PHE A 52 3.530 2.405 3.705 1.00 1.25 C ATOM 736 CE1 PHE A 52 5.441 1.990 5.706 1.00 34.31 C ATOM 737 CE2 PHE A 52 3.897 3.464 4.556 1.00 4.22 C ATOM 738 CZ PHE A 52 4.840 3.251 5.573 1.00 4.13 C ATOM 0 H PHE A 52 4.424 1.447 0.502 1.00 64.20 H new ATOM 0 HA PHE A 52 5.971 -0.313 2.306 1.00 5.55 H new ATOM 0 HB2 PHE A 52 3.038 0.339 2.199 1.00 45.44 H new ATOM 0 HB3 PHE A 52 3.778 -0.847 3.255 1.00 45.44 H new ATOM 0 HD1 PHE A 52 5.646 0.008 4.880 1.00 31.15 H new ATOM 0 HD2 PHE A 52 2.723 2.536 3.000 1.00 1.25 H new ATOM 0 HE1 PHE A 52 6.133 1.808 6.515 1.00 34.31 H new ATOM 0 HE2 PHE A 52 3.453 4.440 4.426 1.00 4.22 H new ATOM 0 HZ PHE A 52 5.101 4.052 6.249 1.00 4.13 H new ATOM 747 N SER A 53 5.419 -2.426 1.059 1.00 31.01 N ATOM 748 CA SER A 53 5.177 -3.677 0.359 1.00 72.14 C ATOM 749 C SER A 53 4.698 -4.679 1.404 1.00 11.45 C ATOM 750 O SER A 53 4.915 -4.484 2.604 1.00 50.31 O ATOM 751 CB SER A 53 6.477 -4.137 -0.307 1.00 62.11 C ATOM 752 OG SER A 53 6.285 -4.916 -1.474 1.00 52.54 O ATOM 0 H SER A 53 6.127 -2.504 1.789 1.00 31.01 H new ATOM 0 HA SER A 53 4.426 -3.573 -0.424 1.00 72.14 H new ATOM 0 HB2 SER A 53 7.072 -3.260 -0.562 1.00 62.11 H new ATOM 0 HB3 SER A 53 7.056 -4.716 0.412 1.00 62.11 H new ATOM 0 HG SER A 53 7.098 -4.893 -2.020 1.00 52.54 H new ATOM 757 N GLU A 54 4.033 -5.736 0.959 1.00 65.10 N ATOM 758 CA GLU A 54 3.600 -6.812 1.824 1.00 52.30 C ATOM 759 C GLU A 54 4.796 -7.635 2.296 1.00 73.00 C ATOM 760 O GLU A 54 5.852 -7.655 1.656 1.00 14.45 O ATOM 761 CB GLU A 54 2.549 -7.664 1.101 1.00 51.33 C ATOM 762 CG GLU A 54 3.063 -8.437 -0.130 1.00 44.43 C ATOM 763 CD GLU A 54 2.795 -9.943 -0.038 1.00 5.31 C ATOM 764 OE1 GLU A 54 3.499 -10.652 0.711 1.00 22.31 O ATOM 765 OE2 GLU A 54 1.789 -10.406 -0.631 1.00 74.31 O ATOM 0 H GLU A 54 3.780 -5.867 -0.020 1.00 65.10 H new ATOM 0 HA GLU A 54 3.132 -6.399 2.718 1.00 52.30 H new ATOM 0 HB2 GLU A 54 2.133 -8.379 1.811 1.00 51.33 H new ATOM 0 HB3 GLU A 54 1.732 -7.015 0.787 1.00 51.33 H new ATOM 0 HG2 GLU A 54 2.586 -8.042 -1.027 1.00 44.43 H new ATOM 0 HG3 GLU A 54 4.135 -8.269 -0.238 1.00 44.43 H new ATOM 770 N ALA A 55 4.608 -8.316 3.420 1.00 50.21 N ATOM 771 CA ALA A 55 5.472 -9.329 3.975 1.00 2.32 C ATOM 772 C ALA A 55 4.594 -10.142 4.930 1.00 13.22 C ATOM 773 O ALA A 55 3.426 -9.791 5.176 1.00 25.24 O ATOM 774 CB ALA A 55 6.658 -8.693 4.714 1.00 11.44 C ATOM 0 H ALA A 55 3.786 -8.157 4.003 1.00 50.21 H new ATOM 0 HA ALA A 55 5.903 -9.960 3.198 1.00 2.32 H new ATOM 0 HB1 ALA A 55 7.295 -9.477 5.123 1.00 11.44 H new ATOM 0 HB2 ALA A 55 7.235 -8.083 4.019 1.00 11.44 H new ATOM 0 HB3 ALA A 55 6.287 -8.066 5.525 1.00 11.44 H new ATOM 780 N THR A 56 5.165 -11.191 5.517 1.00 31.02 N ATOM 781 CA THR A 56 4.491 -11.955 6.546 1.00 45.20 C ATOM 782 C THR A 56 5.524 -12.505 7.514 1.00 74.23 C ATOM 783 O THR A 56 6.621 -12.922 7.121 1.00 61.12 O ATOM 784 CB THR A 56 3.662 -13.107 5.965 1.00 4.14 C ATOM 785 OG1 THR A 56 3.447 -13.047 4.562 1.00 41.42 O ATOM 786 CG2 THR A 56 2.271 -13.088 6.583 1.00 10.55 C ATOM 0 H THR A 56 6.101 -11.528 5.290 1.00 31.02 H new ATOM 0 HA THR A 56 3.801 -11.287 7.062 1.00 45.20 H new ATOM 0 HB THR A 56 4.244 -14.001 6.190 1.00 4.14 H new ATOM 0 HG1 THR A 56 3.160 -13.926 4.237 1.00 41.42 H new ATOM 0 HG21 THR A 56 1.679 -13.906 6.172 1.00 10.55 H new ATOM 0 HG22 THR A 56 2.351 -13.206 7.664 1.00 10.55 H new ATOM 0 HG23 THR A 56 1.785 -12.139 6.356 1.00 10.55 H new ATOM 794 N ARG A 57 5.187 -12.461 8.798 1.00 41.12 N ATOM 795 CA ARG A 57 6.127 -12.769 9.861 1.00 11.51 C ATOM 796 C ARG A 57 6.118 -14.250 10.210 1.00 34.25 C ATOM 797 O ARG A 57 5.305 -15.000 9.671 1.00 10.11 O ATOM 798 CB ARG A 57 5.884 -11.809 11.022 1.00 43.23 C ATOM 799 CG ARG A 57 4.531 -11.943 11.722 1.00 4.13 C ATOM 800 CD ARG A 57 4.576 -12.489 13.151 1.00 61.10 C ATOM 801 NE ARG A 57 4.905 -11.449 14.139 1.00 1.52 N ATOM 802 CZ ARG A 57 4.522 -11.437 15.426 1.00 1.32 C ATOM 803 NH1 ARG A 57 3.762 -12.401 15.944 1.00 14.12 N ATOM 804 NH2 ARG A 57 4.892 -10.446 16.225 1.00 72.13 N ATOM 0 H ARG A 57 4.255 -12.211 9.128 1.00 41.12 H new ATOM 0 HA ARG A 57 7.154 -12.602 9.535 1.00 11.51 H new ATOM 0 HB2 ARG A 57 6.671 -11.956 11.762 1.00 43.23 H new ATOM 0 HB3 ARG A 57 5.981 -10.788 10.652 1.00 43.23 H new ATOM 0 HG2 ARG A 57 4.054 -10.963 11.742 1.00 4.13 H new ATOM 0 HG3 ARG A 57 3.895 -12.595 11.123 1.00 4.13 H new ATOM 0 HD2 ARG A 57 3.610 -12.930 13.399 1.00 61.10 H new ATOM 0 HD3 ARG A 57 5.315 -13.288 13.209 1.00 61.10 H new ATOM 0 HE ARG A 57 5.475 -10.667 13.817 1.00 1.52 H new ATOM 0 HH11 ARG A 57 3.454 -13.178 15.359 1.00 14.12 H new ATOM 0 HH12 ARG A 57 3.488 -12.362 16.926 1.00 14.12 H new ATOM 0 HH21 ARG A 57 5.470 -9.688 15.863 1.00 72.13 H new ATOM 0 HH22 ARG A 57 4.598 -10.442 17.202 1.00 72.13 H new ATOM 815 N GLY A 58 7.013 -14.669 11.103 1.00 54.11 N ATOM 816 CA GLY A 58 7.151 -16.055 11.543 1.00 3.25 C ATOM 817 C GLY A 58 5.797 -16.688 11.862 1.00 52.42 C ATOM 818 O GLY A 58 5.481 -17.752 11.343 1.00 61.03 O ATOM 0 H GLY A 58 7.678 -14.038 11.551 1.00 54.11 H new ATOM 0 HA2 GLY A 58 7.649 -16.635 10.766 1.00 3.25 H new ATOM 0 HA3 GLY A 58 7.787 -16.094 12.427 1.00 3.25 H new ATOM 822 N ASP A 59 4.972 -15.989 12.642 1.00 22.24 N ATOM 823 CA ASP A 59 3.660 -16.468 13.087 1.00 42.50 C ATOM 824 C ASP A 59 2.550 -16.349 12.022 1.00 50.43 C ATOM 825 O ASP A 59 1.381 -16.610 12.304 1.00 32.44 O ATOM 826 CB ASP A 59 3.274 -15.702 14.348 1.00 42.44 C ATOM 827 CG ASP A 59 2.276 -16.462 15.213 1.00 1.51 C ATOM 828 OD1 ASP A 59 2.656 -17.463 15.864 1.00 62.12 O ATOM 829 OD2 ASP A 59 1.151 -15.948 15.391 1.00 70.33 O ATOM 0 H ASP A 59 5.199 -15.057 12.989 1.00 22.24 H new ATOM 0 HA ASP A 59 3.751 -17.536 13.284 1.00 42.50 H new ATOM 0 HB2 ASP A 59 4.171 -15.495 14.932 1.00 42.44 H new ATOM 0 HB3 ASP A 59 2.847 -14.739 14.067 1.00 42.44 H new ATOM 833 N GLY A 60 2.876 -15.895 10.809 1.00 64.20 N ATOM 834 CA GLY A 60 1.938 -15.760 9.697 1.00 42.52 C ATOM 835 C GLY A 60 1.093 -14.491 9.743 1.00 23.31 C ATOM 836 O GLY A 60 0.027 -14.447 9.137 1.00 1.34 O ATOM 0 H GLY A 60 3.824 -15.604 10.569 1.00 64.20 H new ATOM 0 HA2 GLY A 60 2.496 -15.778 8.761 1.00 42.52 H new ATOM 0 HA3 GLY A 60 1.275 -16.625 9.689 1.00 42.52 H new ATOM 840 N GLU A 61 1.564 -13.454 10.439 1.00 61.04 N ATOM 841 CA GLU A 61 0.885 -12.168 10.524 1.00 43.22 C ATOM 842 C GLU A 61 1.370 -11.278 9.375 1.00 42.13 C ATOM 843 O GLU A 61 2.584 -11.107 9.217 1.00 32.24 O ATOM 844 CB GLU A 61 1.213 -11.498 11.873 1.00 4.44 C ATOM 845 CG GLU A 61 -0.028 -10.885 12.498 1.00 71.23 C ATOM 846 CD GLU A 61 -0.755 -11.871 13.413 1.00 63.33 C ATOM 847 OE1 GLU A 61 -0.246 -12.145 14.524 1.00 30.35 O ATOM 848 OE2 GLU A 61 -1.875 -12.306 13.056 1.00 30.45 O ATOM 0 H GLU A 61 2.438 -13.488 10.964 1.00 61.04 H new ATOM 0 HA GLU A 61 -0.193 -12.312 10.452 1.00 43.22 H new ATOM 0 HB2 GLU A 61 1.640 -12.235 12.554 1.00 4.44 H new ATOM 0 HB3 GLU A 61 1.968 -10.726 11.725 1.00 4.44 H new ATOM 0 HG2 GLU A 61 0.253 -10.000 13.069 1.00 71.23 H new ATOM 0 HG3 GLU A 61 -0.705 -10.554 11.710 1.00 71.23 H new ATOM 853 N ARG A 62 0.454 -10.719 8.579 1.00 62.24 N ATOM 854 CA ARG A 62 0.781 -9.765 7.518 1.00 61.22 C ATOM 855 C ARG A 62 0.981 -8.365 8.092 1.00 11.41 C ATOM 856 O ARG A 62 0.363 -8.028 9.112 1.00 31.23 O ATOM 857 CB ARG A 62 -0.346 -9.812 6.478 1.00 12.15 C ATOM 858 CG ARG A 62 -0.082 -8.997 5.201 1.00 33.44 C ATOM 859 CD ARG A 62 -0.475 -9.807 3.964 1.00 73.23 C ATOM 860 NE ARG A 62 0.500 -10.881 3.696 1.00 43.23 N ATOM 861 CZ ARG A 62 0.779 -11.416 2.505 1.00 32.15 C ATOM 862 NH1 ARG A 62 0.100 -11.056 1.421 1.00 53.34 N ATOM 863 NH2 ARG A 62 1.727 -12.331 2.394 1.00 74.10 N ATOM 0 H ARG A 62 -0.544 -10.918 8.654 1.00 62.24 H new ATOM 0 HA ARG A 62 1.722 -10.032 7.037 1.00 61.22 H new ATOM 0 HB2 ARG A 62 -0.520 -10.851 6.199 1.00 12.15 H new ATOM 0 HB3 ARG A 62 -1.263 -9.448 6.941 1.00 12.15 H new ATOM 0 HG2 ARG A 62 -0.650 -8.067 5.231 1.00 33.44 H new ATOM 0 HG3 ARG A 62 0.972 -8.725 5.146 1.00 33.44 H new ATOM 0 HD2 ARG A 62 -1.465 -10.239 4.109 1.00 73.23 H new ATOM 0 HD3 ARG A 62 -0.539 -9.147 3.099 1.00 73.23 H new ATOM 0 HE ARG A 62 1.010 -11.251 4.498 1.00 43.23 H new ATOM 0 HH11 ARG A 62 -0.645 -10.363 1.493 1.00 53.34 H new ATOM 0 HH12 ARG A 62 0.324 -11.473 0.517 1.00 53.34 H new ATOM 0 HH21 ARG A 62 2.247 -12.629 3.219 1.00 74.10 H new ATOM 0 HH22 ARG A 62 1.938 -12.738 1.483 1.00 74.10 H new ATOM 874 N PHE A 63 1.825 -7.566 7.435 1.00 44.11 N ATOM 875 CA PHE A 63 2.198 -6.211 7.818 1.00 42.50 C ATOM 876 C PHE A 63 2.635 -5.406 6.588 1.00 53.54 C ATOM 877 O PHE A 63 2.773 -5.975 5.502 1.00 3.34 O ATOM 878 CB PHE A 63 3.303 -6.256 8.883 1.00 21.22 C ATOM 879 CG PHE A 63 4.617 -6.937 8.524 1.00 34.03 C ATOM 880 CD1 PHE A 63 4.708 -8.345 8.538 1.00 3.52 C ATOM 881 CD2 PHE A 63 5.786 -6.173 8.299 1.00 73.10 C ATOM 882 CE1 PHE A 63 5.957 -8.968 8.372 1.00 5.12 C ATOM 883 CE2 PHE A 63 7.034 -6.809 8.159 1.00 12.23 C ATOM 884 CZ PHE A 63 7.117 -8.202 8.200 1.00 24.21 C ATOM 0 H PHE A 63 2.288 -7.867 6.577 1.00 44.11 H new ATOM 0 HA PHE A 63 1.332 -5.708 8.248 1.00 42.50 H new ATOM 0 HB2 PHE A 63 3.528 -5.230 9.174 1.00 21.22 H new ATOM 0 HB3 PHE A 63 2.898 -6.756 9.763 1.00 21.22 H new ATOM 0 HD1 PHE A 63 3.819 -8.943 8.676 1.00 3.52 H new ATOM 0 HD2 PHE A 63 5.721 -5.097 8.234 1.00 73.10 H new ATOM 0 HE1 PHE A 63 6.023 -10.046 8.377 1.00 5.12 H new ATOM 0 HE2 PHE A 63 7.928 -6.219 8.020 1.00 12.23 H new ATOM 0 HZ PHE A 63 8.076 -8.689 8.099 1.00 24.21 H new ATOM 893 N TRP A 64 2.907 -4.109 6.769 1.00 41.40 N ATOM 894 CA TRP A 64 3.378 -3.162 5.771 1.00 4.11 C ATOM 895 C TRP A 64 4.738 -2.590 6.157 1.00 12.43 C ATOM 896 O TRP A 64 4.810 -1.618 6.904 1.00 64.31 O ATOM 897 CB TRP A 64 2.364 -2.022 5.663 1.00 63.42 C ATOM 898 CG TRP A 64 1.115 -2.374 4.964 1.00 12.44 C ATOM 899 CD1 TRP A 64 -0.117 -2.389 5.500 1.00 53.54 C ATOM 900 CD2 TRP A 64 0.973 -2.796 3.587 1.00 14.41 C ATOM 901 NE1 TRP A 64 -1.020 -2.751 4.525 1.00 14.54 N ATOM 902 CE2 TRP A 64 -0.404 -3.016 3.323 1.00 45.13 C ATOM 903 CE3 TRP A 64 1.884 -3.015 2.540 1.00 4.41 C ATOM 904 CZ2 TRP A 64 -0.861 -3.419 2.063 1.00 55.10 C ATOM 905 CZ3 TRP A 64 1.445 -3.448 1.284 1.00 33.42 C ATOM 906 CH2 TRP A 64 0.079 -3.652 1.047 1.00 60.20 C ATOM 0 H TRP A 64 2.794 -3.670 7.683 1.00 41.40 H new ATOM 0 HA TRP A 64 3.482 -3.678 4.816 1.00 4.11 H new ATOM 0 HB2 TRP A 64 2.118 -1.676 6.667 1.00 63.42 H new ATOM 0 HB3 TRP A 64 2.832 -1.186 5.144 1.00 63.42 H new ATOM 0 HD1 TRP A 64 -0.359 -2.156 6.526 1.00 53.54 H new ATOM 0 HE1 TRP A 64 -2.027 -2.815 4.676 1.00 14.54 H new ATOM 0 HE3 TRP A 64 2.938 -2.847 2.707 1.00 4.41 H new ATOM 0 HZ2 TRP A 64 -1.917 -3.548 1.876 1.00 55.10 H new ATOM 0 HZ3 TRP A 64 2.161 -3.625 0.495 1.00 33.42 H new ATOM 0 HH2 TRP A 64 -0.253 -3.991 0.077 1.00 60.20 H new ATOM 916 N MET A 65 5.822 -3.167 5.668 1.00 33.42 N ATOM 917 CA MET A 65 7.180 -2.673 5.873 1.00 33.01 C ATOM 918 C MET A 65 7.709 -1.930 4.654 1.00 22.45 C ATOM 919 O MET A 65 7.035 -1.873 3.621 1.00 11.11 O ATOM 920 CB MET A 65 8.084 -3.856 6.171 1.00 5.55 C ATOM 921 CG MET A 65 8.326 -4.772 4.960 1.00 4.51 C ATOM 922 SD MET A 65 10.070 -4.839 4.508 1.00 12.45 S ATOM 923 CE MET A 65 10.623 -5.792 5.938 1.00 32.11 C ATOM 0 H MET A 65 5.785 -4.015 5.102 1.00 33.42 H new ATOM 0 HA MET A 65 7.166 -1.969 6.705 1.00 33.01 H new ATOM 0 HB2 MET A 65 9.043 -3.486 6.533 1.00 5.55 H new ATOM 0 HB3 MET A 65 7.644 -4.443 6.977 1.00 5.55 H new ATOM 0 HG2 MET A 65 7.971 -5.777 5.188 1.00 4.51 H new ATOM 0 HG3 MET A 65 7.744 -4.413 4.111 1.00 4.51 H new ATOM 0 HE1 MET A 65 11.622 -6.185 5.749 1.00 32.11 H new ATOM 0 HE2 MET A 65 10.647 -5.148 6.817 1.00 32.11 H new ATOM 0 HE3 MET A 65 9.935 -6.619 6.112 1.00 32.11 H new ATOM 931 N GLN A 66 8.931 -1.399 4.751 1.00 31.44 N ATOM 932 CA GLN A 66 9.512 -0.539 3.735 1.00 14.12 C ATOM 933 C GLN A 66 10.771 -1.150 3.100 1.00 25.03 C ATOM 934 O GLN A 66 11.886 -0.767 3.452 1.00 45.20 O ATOM 935 CB GLN A 66 9.788 0.840 4.344 1.00 72.12 C ATOM 936 CG GLN A 66 8.554 1.436 5.020 1.00 34.15 C ATOM 937 CD GLN A 66 8.816 2.829 5.563 1.00 45.11 C ATOM 938 OE1 GLN A 66 9.748 3.086 6.311 1.00 24.33 O ATOM 939 NE2 GLN A 66 7.978 3.783 5.213 1.00 52.24 N ATOM 0 H GLN A 66 9.546 -1.560 5.549 1.00 31.44 H new ATOM 0 HA GLN A 66 8.797 -0.432 2.919 1.00 14.12 H new ATOM 0 HB2 GLN A 66 10.594 0.757 5.073 1.00 72.12 H new ATOM 0 HB3 GLN A 66 10.133 1.517 3.562 1.00 72.12 H new ATOM 0 HG2 GLN A 66 7.733 1.475 4.304 1.00 34.15 H new ATOM 0 HG3 GLN A 66 8.237 0.784 5.834 1.00 34.15 H new ATOM 0 HE21 GLN A 66 7.199 3.574 4.589 1.00 52.24 H new ATOM 0 HE22 GLN A 66 8.108 4.731 5.566 1.00 52.24 H new ATOM 946 N PRO A 67 10.632 -2.057 2.118 1.00 5.14 N ATOM 947 CA PRO A 67 11.774 -2.641 1.419 1.00 65.43 C ATOM 948 C PRO A 67 12.488 -1.665 0.467 1.00 12.11 C ATOM 949 O PRO A 67 13.478 -2.057 -0.149 1.00 14.14 O ATOM 950 CB PRO A 67 11.203 -3.843 0.662 1.00 24.25 C ATOM 951 CG PRO A 67 9.779 -3.400 0.362 1.00 2.32 C ATOM 952 CD PRO A 67 9.391 -2.640 1.628 1.00 31.03 C ATOM 0 HA PRO A 67 12.550 -2.920 2.132 1.00 65.43 H new ATOM 0 HB2 PRO A 67 11.763 -4.051 -0.249 1.00 24.25 H new ATOM 0 HB3 PRO A 67 11.227 -4.751 1.265 1.00 24.25 H new ATOM 0 HG2 PRO A 67 9.730 -2.765 -0.523 1.00 2.32 H new ATOM 0 HG3 PRO A 67 9.120 -4.249 0.181 1.00 2.32 H new ATOM 0 HD2 PRO A 67 8.651 -1.869 1.413 1.00 31.03 H new ATOM 0 HD3 PRO A 67 8.950 -3.307 2.368 1.00 31.03 H new ATOM 957 N VAL A 68 12.010 -0.425 0.295 1.00 71.02 N ATOM 958 CA VAL A 68 12.702 0.628 -0.441 1.00 2.31 C ATOM 959 C VAL A 68 12.843 1.829 0.497 1.00 22.42 C ATOM 960 O VAL A 68 11.875 2.548 0.780 1.00 54.44 O ATOM 961 CB VAL A 68 12.063 0.883 -1.823 1.00 72.43 C ATOM 962 CG1 VAL A 68 10.539 1.015 -1.794 1.00 11.43 C ATOM 963 CG2 VAL A 68 12.717 2.080 -2.539 1.00 3.23 C ATOM 0 H VAL A 68 11.112 -0.125 0.674 1.00 71.02 H new ATOM 0 HA VAL A 68 13.714 0.338 -0.723 1.00 2.31 H new ATOM 0 HB VAL A 68 12.266 -0.017 -2.403 1.00 72.43 H new ATOM 0 HG11 VAL A 68 10.170 1.193 -2.804 1.00 11.43 H new ATOM 0 HG12 VAL A 68 10.102 0.096 -1.404 1.00 11.43 H new ATOM 0 HG13 VAL A 68 10.258 1.851 -1.153 1.00 11.43 H new ATOM 0 HG21 VAL A 68 12.241 2.229 -3.508 1.00 3.23 H new ATOM 0 HG22 VAL A 68 12.594 2.978 -1.933 1.00 3.23 H new ATOM 0 HG23 VAL A 68 13.779 1.882 -2.683 1.00 3.23 H new ATOM 973 N ARG A 69 14.044 2.013 1.034 1.00 30.11 N ATOM 974 CA ARG A 69 14.415 3.050 1.994 1.00 11.23 C ATOM 975 C ARG A 69 15.329 4.040 1.280 1.00 73.34 C ATOM 976 O ARG A 69 16.550 4.001 1.412 1.00 41.20 O ATOM 977 CB ARG A 69 15.061 2.365 3.203 1.00 71.20 C ATOM 978 CG ARG A 69 15.346 3.248 4.432 1.00 41.52 C ATOM 979 CD ARG A 69 16.686 3.984 4.347 1.00 21.42 C ATOM 980 NE ARG A 69 17.140 4.484 5.653 1.00 24.23 N ATOM 981 CZ ARG A 69 17.567 5.723 5.914 1.00 52.51 C ATOM 982 NH1 ARG A 69 17.352 6.717 5.060 1.00 32.14 N ATOM 983 NH2 ARG A 69 18.216 5.964 7.046 1.00 30.14 N ATOM 0 H ARG A 69 14.831 1.408 0.798 1.00 30.11 H new ATOM 0 HA ARG A 69 13.561 3.615 2.368 1.00 11.23 H new ATOM 0 HB2 ARG A 69 14.413 1.546 3.516 1.00 71.20 H new ATOM 0 HB3 ARG A 69 16.002 1.920 2.879 1.00 71.20 H new ATOM 0 HG2 ARG A 69 14.544 3.978 4.541 1.00 41.52 H new ATOM 0 HG3 ARG A 69 15.336 2.627 5.328 1.00 41.52 H new ATOM 0 HD2 ARG A 69 17.440 3.312 3.937 1.00 21.42 H new ATOM 0 HD3 ARG A 69 16.594 4.820 3.654 1.00 21.42 H new ATOM 0 HE ARG A 69 17.128 3.825 6.431 1.00 24.23 H new ATOM 0 HH11 ARG A 69 16.853 6.541 4.188 1.00 32.14 H new ATOM 0 HH12 ARG A 69 17.685 7.656 5.276 1.00 32.14 H new ATOM 0 HH21 ARG A 69 18.385 5.207 7.708 1.00 30.14 H new ATOM 0 HH22 ARG A 69 18.546 6.907 7.254 1.00 30.14 H new ATOM 994 N SER A 70 14.716 4.891 0.474 1.00 41.43 N ATOM 995 CA SER A 70 15.295 6.007 -0.245 1.00 24.23 C ATOM 996 C SER A 70 14.152 6.962 -0.602 1.00 41.54 C ATOM 997 O SER A 70 13.010 6.526 -0.787 1.00 12.43 O ATOM 998 CB SER A 70 15.882 5.464 -1.542 1.00 33.03 C ATOM 999 OG SER A 70 17.201 4.960 -1.463 1.00 12.45 O ATOM 0 H SER A 70 13.716 4.809 0.293 1.00 41.43 H new ATOM 0 HA SER A 70 16.059 6.513 0.345 1.00 24.23 H new ATOM 0 HB2 SER A 70 15.232 4.669 -1.907 1.00 33.03 H new ATOM 0 HB3 SER A 70 15.862 6.259 -2.287 1.00 33.03 H new ATOM 0 HG SER A 70 17.342 4.548 -0.585 1.00 12.45 H new ATOM 1004 N THR A 71 14.466 8.242 -0.800 1.00 61.12 N ATOM 1005 CA THR A 71 13.493 9.282 -1.134 1.00 3.44 C ATOM 1006 C THR A 71 13.377 9.570 -2.644 1.00 43.21 C ATOM 1007 O THR A 71 12.607 10.445 -3.036 1.00 54.32 O ATOM 1008 CB THR A 71 13.846 10.553 -0.329 1.00 13.12 C ATOM 1009 OG1 THR A 71 15.252 10.787 -0.293 1.00 43.22 O ATOM 1010 CG2 THR A 71 13.366 10.430 1.121 1.00 43.54 C ATOM 0 H THR A 71 15.422 8.592 -0.731 1.00 61.12 H new ATOM 0 HA THR A 71 12.503 8.921 -0.855 1.00 3.44 H new ATOM 0 HB THR A 71 13.348 11.381 -0.834 1.00 13.12 H new ATOM 0 HG1 THR A 71 15.435 11.600 0.223 1.00 43.22 H new ATOM 0 HG21 THR A 71 13.626 11.336 1.668 1.00 43.54 H new ATOM 0 HG22 THR A 71 12.285 10.294 1.136 1.00 43.54 H new ATOM 0 HG23 THR A 71 13.846 9.572 1.592 1.00 43.54 H new ATOM 1018 N PHE A 72 14.165 8.919 -3.504 1.00 33.12 N ATOM 1019 CA PHE A 72 14.097 9.153 -4.947 1.00 42.34 C ATOM 1020 C PHE A 72 12.759 8.647 -5.488 1.00 25.10 C ATOM 1021 O PHE A 72 12.509 7.440 -5.424 1.00 73.21 O ATOM 1022 CB PHE A 72 15.265 8.459 -5.669 1.00 42.13 C ATOM 1023 CG PHE A 72 16.611 9.100 -5.403 1.00 12.30 C ATOM 1024 CD1 PHE A 72 16.900 10.375 -5.926 1.00 62.03 C ATOM 1025 CD2 PHE A 72 17.571 8.437 -4.617 1.00 65.25 C ATOM 1026 CE1 PHE A 72 18.126 11.000 -5.635 1.00 41.52 C ATOM 1027 CE2 PHE A 72 18.798 9.060 -4.333 1.00 64.41 C ATOM 1028 CZ PHE A 72 19.071 10.347 -4.827 1.00 64.21 C ATOM 0 H PHE A 72 14.858 8.225 -3.224 1.00 33.12 H new ATOM 0 HA PHE A 72 14.176 10.224 -5.132 1.00 42.34 H new ATOM 0 HB2 PHE A 72 15.302 7.414 -5.360 1.00 42.13 H new ATOM 0 HB3 PHE A 72 15.074 8.467 -6.742 1.00 42.13 H new ATOM 0 HD1 PHE A 72 16.177 10.875 -6.553 1.00 62.03 H new ATOM 0 HD2 PHE A 72 17.365 7.449 -4.232 1.00 65.25 H new ATOM 0 HE1 PHE A 72 18.340 11.981 -6.033 1.00 41.52 H new ATOM 0 HE2 PHE A 72 19.535 8.547 -3.732 1.00 64.41 H new ATOM 0 HZ PHE A 72 20.005 10.833 -4.586 1.00 64.21 H new ATOM 1037 N GLU A 73 11.935 9.526 -6.074 1.00 52.35 N ATOM 1038 CA GLU A 73 10.667 9.121 -6.694 1.00 60.23 C ATOM 1039 C GLU A 73 10.871 8.018 -7.752 1.00 11.52 C ATOM 1040 O GLU A 73 10.201 6.991 -7.652 1.00 74.23 O ATOM 1041 CB GLU A 73 9.872 10.282 -7.318 1.00 51.44 C ATOM 1042 CG GLU A 73 10.092 11.702 -6.795 1.00 54.32 C ATOM 1043 CD GLU A 73 9.169 12.678 -7.525 1.00 11.51 C ATOM 1044 OE1 GLU A 73 9.542 13.117 -8.639 1.00 20.04 O ATOM 1045 OE2 GLU A 73 8.051 12.956 -7.022 1.00 20.12 O ATOM 0 H GLU A 73 12.126 10.526 -6.131 1.00 52.35 H new ATOM 0 HA GLU A 73 10.074 8.732 -5.866 1.00 60.23 H new ATOM 0 HB2 GLU A 73 10.086 10.289 -8.387 1.00 51.44 H new ATOM 0 HB3 GLU A 73 8.812 10.052 -7.206 1.00 51.44 H new ATOM 0 HG2 GLU A 73 9.897 11.738 -5.723 1.00 54.32 H new ATOM 0 HG3 GLU A 73 11.132 11.995 -6.940 1.00 54.32 H new ATOM 1050 N PRO A 74 11.798 8.141 -8.730 1.00 52.52 N ATOM 1051 CA PRO A 74 11.927 7.159 -9.814 1.00 34.40 C ATOM 1052 C PRO A 74 12.622 5.859 -9.375 1.00 71.32 C ATOM 1053 O PRO A 74 12.893 4.981 -10.202 1.00 15.21 O ATOM 1054 CB PRO A 74 12.717 7.874 -10.916 1.00 41.52 C ATOM 1055 CG PRO A 74 13.639 8.779 -10.112 1.00 53.12 C ATOM 1056 CD PRO A 74 12.722 9.244 -8.981 1.00 32.02 C ATOM 0 HA PRO A 74 10.944 6.835 -10.155 1.00 34.40 H new ATOM 0 HB2 PRO A 74 13.274 7.173 -11.538 1.00 41.52 H new ATOM 0 HB3 PRO A 74 12.066 8.442 -11.581 1.00 41.52 H new ATOM 0 HG2 PRO A 74 14.511 8.243 -9.736 1.00 53.12 H new ATOM 0 HG3 PRO A 74 14.010 9.614 -10.706 1.00 53.12 H new ATOM 0 HD2 PRO A 74 13.297 9.482 -8.086 1.00 32.02 H new ATOM 0 HD3 PRO A 74 12.182 10.148 -9.263 1.00 32.02 H new ATOM 1061 N ASP A 75 12.930 5.711 -8.086 1.00 60.22 N ATOM 1062 CA ASP A 75 13.379 4.449 -7.507 1.00 54.53 C ATOM 1063 C ASP A 75 12.217 3.804 -6.739 1.00 64.34 C ATOM 1064 O ASP A 75 12.180 2.581 -6.602 1.00 5.32 O ATOM 1065 CB ASP A 75 14.555 4.668 -6.548 1.00 51.13 C ATOM 1066 CG ASP A 75 15.890 5.144 -7.133 1.00 53.41 C ATOM 1067 OD1 ASP A 75 15.991 5.523 -8.325 1.00 43.43 O ATOM 1068 OD2 ASP A 75 16.872 5.149 -6.354 1.00 23.22 O ATOM 0 H ASP A 75 12.873 6.473 -7.410 1.00 60.22 H new ATOM 0 HA ASP A 75 13.709 3.797 -8.316 1.00 54.53 H new ATOM 0 HB2 ASP A 75 14.242 5.395 -5.799 1.00 51.13 H new ATOM 0 HB3 ASP A 75 14.737 3.729 -6.025 1.00 51.13 H new ATOM 1072 N LEU A 76 11.254 4.600 -6.250 1.00 32.03 N ATOM 1073 CA LEU A 76 10.041 4.139 -5.583 1.00 61.14 C ATOM 1074 C LEU A 76 9.138 3.510 -6.628 1.00 75.41 C ATOM 1075 O LEU A 76 8.891 2.314 -6.552 1.00 61.14 O ATOM 1076 CB LEU A 76 9.328 5.292 -4.832 1.00 64.31 C ATOM 1077 CG LEU A 76 10.084 5.807 -3.594 1.00 22.24 C ATOM 1078 CD1 LEU A 76 9.441 7.097 -3.090 1.00 20.22 C ATOM 1079 CD2 LEU A 76 10.081 4.817 -2.428 1.00 41.10 C ATOM 0 H LEU A 76 11.306 5.617 -6.314 1.00 32.03 H new ATOM 0 HA LEU A 76 10.298 3.399 -4.825 1.00 61.14 H new ATOM 0 HB2 LEU A 76 9.179 6.122 -5.523 1.00 64.31 H new ATOM 0 HB3 LEU A 76 8.339 4.952 -4.524 1.00 64.31 H new ATOM 0 HG LEU A 76 11.113 5.961 -3.918 1.00 22.24 H new ATOM 0 HD11 LEU A 76 9.982 7.455 -2.214 1.00 20.22 H new ATOM 0 HD12 LEU A 76 9.479 7.853 -3.874 1.00 20.22 H new ATOM 0 HD13 LEU A 76 8.402 6.905 -2.822 1.00 20.22 H new ATOM 0 HD21 LEU A 76 10.631 5.242 -1.588 1.00 41.10 H new ATOM 0 HD22 LEU A 76 9.054 4.615 -2.125 1.00 41.10 H new ATOM 0 HD23 LEU A 76 10.557 3.887 -2.739 1.00 41.10 H new ATOM 1090 N ASP A 77 8.672 4.258 -7.629 1.00 52.13 N ATOM 1091 CA ASP A 77 7.682 3.706 -8.565 1.00 41.10 C ATOM 1092 C ASP A 77 8.250 2.552 -9.396 1.00 35.42 C ATOM 1093 O ASP A 77 7.492 1.683 -9.836 1.00 71.12 O ATOM 1094 CB ASP A 77 7.071 4.805 -9.451 1.00 15.42 C ATOM 1095 CG ASP A 77 5.876 5.502 -8.791 1.00 20.14 C ATOM 1096 OD1 ASP A 77 5.189 4.890 -7.941 1.00 31.15 O ATOM 1097 OD2 ASP A 77 5.631 6.688 -9.097 1.00 23.14 O ATOM 0 H ASP A 77 8.952 5.221 -7.813 1.00 52.13 H new ATOM 0 HA ASP A 77 6.875 3.287 -7.964 1.00 41.10 H new ATOM 0 HB2 ASP A 77 7.836 5.546 -9.683 1.00 15.42 H new ATOM 0 HB3 ASP A 77 6.754 4.368 -10.398 1.00 15.42 H new ATOM 1101 N ALA A 78 9.581 2.471 -9.517 1.00 15.34 N ATOM 1102 CA ALA A 78 10.294 1.343 -10.101 1.00 72.30 C ATOM 1103 C ALA A 78 10.045 0.039 -9.330 1.00 22.02 C ATOM 1104 O ALA A 78 9.952 -1.031 -9.934 1.00 24.04 O ATOM 1105 CB ALA A 78 11.787 1.666 -10.106 1.00 22.43 C ATOM 0 H ALA A 78 10.204 3.214 -9.200 1.00 15.34 H new ATOM 0 HA ALA A 78 9.927 1.189 -11.116 1.00 72.30 H new ATOM 0 HB1 ALA A 78 12.338 0.832 -10.540 1.00 22.43 H new ATOM 0 HB2 ALA A 78 11.963 2.564 -10.698 1.00 22.43 H new ATOM 0 HB3 ALA A 78 12.127 1.832 -9.084 1.00 22.43 H new ATOM 1111 N TYR A 79 9.898 0.109 -8.005 1.00 42.43 N ATOM 1112 CA TYR A 79 9.542 -1.036 -7.177 1.00 53.11 C ATOM 1113 C TYR A 79 8.228 -1.630 -7.690 1.00 33.33 C ATOM 1114 O TYR A 79 8.106 -2.840 -7.906 1.00 3.41 O ATOM 1115 CB TYR A 79 9.371 -0.596 -5.712 1.00 11.13 C ATOM 1116 CG TYR A 79 9.200 -1.760 -4.770 1.00 65.00 C ATOM 1117 CD1 TYR A 79 7.965 -2.431 -4.722 1.00 44.13 C ATOM 1118 CD2 TYR A 79 10.300 -2.238 -4.036 1.00 30.44 C ATOM 1119 CE1 TYR A 79 7.879 -3.676 -4.078 1.00 30.21 C ATOM 1120 CE2 TYR A 79 10.186 -3.433 -3.309 1.00 11.51 C ATOM 1121 CZ TYR A 79 8.997 -4.188 -3.386 1.00 50.43 C ATOM 1122 OH TYR A 79 8.947 -5.422 -2.822 1.00 64.10 O ATOM 0 H TYR A 79 10.025 0.972 -7.476 1.00 42.43 H new ATOM 0 HA TYR A 79 10.334 -1.783 -7.230 1.00 53.11 H new ATOM 0 HB2 TYR A 79 10.241 -0.013 -5.408 1.00 11.13 H new ATOM 0 HB3 TYR A 79 8.504 0.060 -5.633 1.00 11.13 H new ATOM 0 HD1 TYR A 79 7.089 -1.992 -5.177 1.00 44.13 H new ATOM 0 HD2 TYR A 79 11.229 -1.688 -4.032 1.00 30.44 H new ATOM 0 HE1 TYR A 79 6.959 -4.240 -4.112 1.00 30.21 H new ATOM 0 HE2 TYR A 79 11.005 -3.773 -2.693 1.00 11.51 H new ATOM 0 HH TYR A 79 9.803 -5.618 -2.386 1.00 64.10 H new ATOM 1131 N ALA A 80 7.218 -0.766 -7.830 1.00 0.45 N ATOM 1132 CA ALA A 80 5.881 -1.144 -8.242 1.00 35.34 C ATOM 1133 C ALA A 80 5.836 -1.619 -9.698 1.00 63.00 C ATOM 1134 O ALA A 80 4.940 -2.396 -10.032 1.00 13.25 O ATOM 1135 CB ALA A 80 4.931 0.038 -8.019 1.00 15.51 C ATOM 0 H ALA A 80 7.319 0.234 -7.654 1.00 0.45 H new ATOM 0 HA ALA A 80 5.561 -1.989 -7.633 1.00 35.34 H new ATOM 0 HB1 ALA A 80 3.924 -0.242 -8.328 1.00 15.51 H new ATOM 0 HB2 ALA A 80 4.926 0.306 -6.963 1.00 15.51 H new ATOM 0 HB3 ALA A 80 5.267 0.891 -8.608 1.00 15.51 H new ATOM 1141 N GLU A 81 6.771 -1.193 -10.554 1.00 73.43 N ATOM 1142 CA GLU A 81 6.897 -1.706 -11.907 1.00 34.45 C ATOM 1143 C GLU A 81 7.341 -3.157 -11.807 1.00 23.35 C ATOM 1144 O GLU A 81 6.672 -4.050 -12.338 1.00 63.40 O ATOM 1145 CB GLU A 81 7.918 -0.900 -12.729 1.00 2.22 C ATOM 1146 CG GLU A 81 7.409 0.481 -13.148 1.00 73.00 C ATOM 1147 CD GLU A 81 8.450 1.227 -13.984 1.00 14.54 C ATOM 1148 OE1 GLU A 81 8.928 0.671 -15.005 1.00 4.35 O ATOM 1149 OE2 GLU A 81 8.796 2.380 -13.634 1.00 42.13 O ATOM 0 H GLU A 81 7.461 -0.479 -10.319 1.00 73.43 H new ATOM 0 HA GLU A 81 5.938 -1.621 -12.418 1.00 34.45 H new ATOM 0 HB2 GLU A 81 8.830 -0.780 -12.144 1.00 2.22 H new ATOM 0 HB3 GLU A 81 8.183 -1.467 -13.621 1.00 2.22 H new ATOM 0 HG2 GLU A 81 6.488 0.373 -13.722 1.00 73.00 H new ATOM 0 HG3 GLU A 81 7.165 1.066 -12.261 1.00 73.00 H new ATOM 1154 N ARG A 82 8.454 -3.381 -11.099 1.00 24.35 N ATOM 1155 CA ARG A 82 9.075 -4.685 -11.005 1.00 23.24 C ATOM 1156 C ARG A 82 8.095 -5.692 -10.439 1.00 20.32 C ATOM 1157 O ARG A 82 7.841 -6.718 -11.065 1.00 12.43 O ATOM 1158 CB ARG A 82 10.389 -4.586 -10.206 1.00 34.32 C ATOM 1159 CG ARG A 82 10.993 -5.953 -9.836 1.00 45.44 C ATOM 1160 CD ARG A 82 12.307 -5.798 -9.062 1.00 73.40 C ATOM 1161 NE ARG A 82 13.474 -5.663 -9.947 1.00 32.35 N ATOM 1162 CZ ARG A 82 14.746 -5.914 -9.609 1.00 53.12 C ATOM 1163 NH1 ARG A 82 15.096 -6.305 -8.389 1.00 74.00 N ATOM 1164 NH2 ARG A 82 15.709 -5.764 -10.503 1.00 65.42 N ATOM 0 H ARG A 82 8.942 -2.653 -10.577 1.00 24.35 H new ATOM 0 HA ARG A 82 9.343 -5.046 -11.998 1.00 23.24 H new ATOM 0 HB2 ARG A 82 11.117 -4.023 -10.790 1.00 34.32 H new ATOM 0 HB3 ARG A 82 10.207 -4.020 -9.292 1.00 34.32 H new ATOM 0 HG2 ARG A 82 10.280 -6.516 -9.234 1.00 45.44 H new ATOM 0 HG3 ARG A 82 11.170 -6.531 -10.743 1.00 45.44 H new ATOM 0 HD2 ARG A 82 12.243 -4.922 -8.416 1.00 73.40 H new ATOM 0 HD3 ARG A 82 12.446 -6.663 -8.413 1.00 73.40 H new ATOM 0 HE ARG A 82 13.300 -5.351 -10.902 1.00 32.35 H new ATOM 0 HH11 ARG A 82 14.384 -6.425 -7.668 1.00 74.00 H new ATOM 0 HH12 ARG A 82 16.076 -6.486 -8.173 1.00 74.00 H new ATOM 0 HH21 ARG A 82 15.483 -5.457 -11.449 1.00 65.42 H new ATOM 0 HH22 ARG A 82 16.678 -5.955 -10.246 1.00 65.42 H new ATOM 1175 N ALA A 83 7.540 -5.417 -9.261 1.00 32.03 N ATOM 1176 CA ALA A 83 6.744 -6.410 -8.558 1.00 54.12 C ATOM 1177 C ALA A 83 5.537 -6.854 -9.374 1.00 14.32 C ATOM 1178 O ALA A 83 5.205 -8.040 -9.450 1.00 72.03 O ATOM 1179 CB ALA A 83 6.301 -5.839 -7.208 1.00 2.45 C ATOM 0 H ALA A 83 7.628 -4.522 -8.780 1.00 32.03 H new ATOM 0 HA ALA A 83 7.362 -7.294 -8.399 1.00 54.12 H new ATOM 0 HB1 ALA A 83 5.704 -6.581 -6.678 1.00 2.45 H new ATOM 0 HB2 ALA A 83 7.179 -5.588 -6.613 1.00 2.45 H new ATOM 0 HB3 ALA A 83 5.704 -4.942 -7.371 1.00 2.45 H new ATOM 1185 N ALA A 84 4.898 -5.886 -10.024 1.00 53.23 N ATOM 1186 CA ALA A 84 3.656 -6.097 -10.738 1.00 22.33 C ATOM 1187 C ALA A 84 3.862 -6.867 -12.044 1.00 11.25 C ATOM 1188 O ALA A 84 2.875 -7.274 -12.663 1.00 4.53 O ATOM 1189 CB ALA A 84 3.002 -4.734 -10.972 1.00 74.31 C ATOM 0 H ALA A 84 5.237 -4.925 -10.067 1.00 53.23 H new ATOM 0 HA ALA A 84 2.995 -6.721 -10.137 1.00 22.33 H new ATOM 0 HB1 ALA A 84 2.063 -4.868 -11.509 1.00 74.31 H new ATOM 0 HB2 ALA A 84 2.806 -4.255 -10.013 1.00 74.31 H new ATOM 0 HB3 ALA A 84 3.670 -4.106 -11.561 1.00 74.31 H new ATOM 1195 N ARG A 85 5.113 -7.100 -12.465 1.00 32.44 N ATOM 1196 CA ARG A 85 5.386 -7.848 -13.691 1.00 20.45 C ATOM 1197 C ARG A 85 5.414 -9.359 -13.426 1.00 53.43 C ATOM 1198 O ARG A 85 5.409 -10.131 -14.377 1.00 34.15 O ATOM 1199 CB ARG A 85 6.648 -7.298 -14.382 1.00 13.12 C ATOM 1200 CG ARG A 85 7.923 -8.066 -14.045 1.00 73.13 C ATOM 1201 CD ARG A 85 9.183 -7.405 -14.619 1.00 73.01 C ATOM 1202 NE ARG A 85 10.225 -8.412 -14.887 1.00 24.14 N ATOM 1203 CZ ARG A 85 10.187 -9.301 -15.889 1.00 54.53 C ATOM 1204 NH1 ARG A 85 9.211 -9.261 -16.791 1.00 21.22 N ATOM 1205 NH2 ARG A 85 11.102 -10.256 -15.982 1.00 51.20 N ATOM 0 H ARG A 85 5.947 -6.780 -11.973 1.00 32.44 H new ATOM 0 HA ARG A 85 4.569 -7.702 -14.398 1.00 20.45 H new ATOM 0 HB2 ARG A 85 6.498 -7.319 -15.461 1.00 13.12 H new ATOM 0 HB3 ARG A 85 6.779 -6.254 -14.099 1.00 13.12 H new ATOM 0 HG2 ARG A 85 8.020 -8.143 -12.962 1.00 73.13 H new ATOM 0 HG3 ARG A 85 7.843 -9.082 -14.431 1.00 73.13 H new ATOM 0 HD2 ARG A 85 8.935 -6.877 -15.540 1.00 73.01 H new ATOM 0 HD3 ARG A 85 9.561 -6.661 -13.917 1.00 73.01 H new ATOM 0 HE ARG A 85 11.033 -8.434 -14.265 1.00 24.14 H new ATOM 0 HH11 ARG A 85 8.483 -8.550 -16.724 1.00 21.22 H new ATOM 0 HH12 ARG A 85 9.190 -9.942 -17.550 1.00 21.22 H new ATOM 0 HH21 ARG A 85 11.845 -10.320 -15.286 1.00 51.20 H new ATOM 0 HH22 ARG A 85 11.063 -10.927 -16.749 1.00 51.20 H new ATOM 1216 N ILE A 86 5.476 -9.775 -12.157 1.00 71.14 N ATOM 1217 CA ILE A 86 5.608 -11.168 -11.723 1.00 63.10 C ATOM 1218 C ILE A 86 4.314 -11.615 -11.035 1.00 12.33 C ATOM 1219 O ILE A 86 3.951 -12.791 -11.102 1.00 22.11 O ATOM 1220 CB ILE A 86 6.835 -11.270 -10.787 1.00 73.41 C ATOM 1221 CG1 ILE A 86 8.152 -10.983 -11.549 1.00 73.13 C ATOM 1222 CG2 ILE A 86 6.957 -12.635 -10.090 1.00 55.23 C ATOM 1223 CD1 ILE A 86 9.137 -10.177 -10.694 1.00 15.45 C ATOM 0 H ILE A 86 5.434 -9.124 -11.373 1.00 71.14 H new ATOM 0 HA ILE A 86 5.766 -11.833 -12.572 1.00 63.10 H new ATOM 0 HB ILE A 86 6.672 -10.512 -10.020 1.00 73.41 H new ATOM 0 HG12 ILE A 86 8.614 -11.925 -11.846 1.00 73.13 H new ATOM 0 HG13 ILE A 86 7.931 -10.434 -12.464 1.00 73.13 H new ATOM 0 HG21 ILE A 86 7.838 -12.639 -9.449 1.00 55.23 H new ATOM 0 HG22 ILE A 86 6.068 -12.816 -9.486 1.00 55.23 H new ATOM 0 HG23 ILE A 86 7.051 -13.420 -10.841 1.00 55.23 H new ATOM 0 HD11 ILE A 86 10.049 -9.996 -11.263 1.00 15.45 H new ATOM 0 HD12 ILE A 86 8.685 -9.224 -10.419 1.00 15.45 H new ATOM 0 HD13 ILE A 86 9.378 -10.738 -9.791 1.00 15.45 H new ATOM 1234 N ASP A 87 3.615 -10.678 -10.392 1.00 52.42 N ATOM 1235 CA ASP A 87 2.326 -10.867 -9.748 1.00 4.11 C ATOM 1236 C ASP A 87 1.269 -10.217 -10.649 1.00 34.12 C ATOM 1237 O ASP A 87 0.967 -9.033 -10.466 1.00 44.43 O ATOM 1238 CB ASP A 87 2.292 -10.234 -8.345 1.00 34.04 C ATOM 1239 CG ASP A 87 2.891 -11.073 -7.221 1.00 32.03 C ATOM 1240 OD1 ASP A 87 4.108 -11.338 -7.216 1.00 71.00 O ATOM 1241 OD2 ASP A 87 2.140 -11.443 -6.285 1.00 72.33 O ATOM 0 H ASP A 87 3.955 -9.720 -10.305 1.00 52.42 H new ATOM 0 HA ASP A 87 2.132 -11.932 -9.616 1.00 4.11 H new ATOM 0 HB2 ASP A 87 2.822 -9.282 -8.384 1.00 34.04 H new ATOM 0 HB3 ASP A 87 1.255 -10.011 -8.093 1.00 34.04 H new ATOM 1245 N PRO A 88 0.716 -10.908 -11.663 1.00 62.01 N ATOM 1246 CA PRO A 88 -0.395 -10.365 -12.444 1.00 55.41 C ATOM 1247 C PRO A 88 -1.660 -10.156 -11.595 1.00 74.43 C ATOM 1248 O PRO A 88 -2.606 -9.514 -12.056 1.00 52.40 O ATOM 1249 CB PRO A 88 -0.630 -11.363 -13.580 1.00 43.23 C ATOM 1250 CG PRO A 88 -0.195 -12.684 -12.950 1.00 75.03 C ATOM 1251 CD PRO A 88 0.990 -12.277 -12.074 1.00 73.12 C ATOM 0 HA PRO A 88 -0.153 -9.374 -12.828 1.00 55.41 H new ATOM 0 HB2 PRO A 88 -1.674 -11.386 -13.891 1.00 43.23 H new ATOM 0 HB3 PRO A 88 -0.039 -11.120 -14.463 1.00 43.23 H new ATOM 0 HG2 PRO A 88 -0.995 -13.133 -12.362 1.00 75.03 H new ATOM 0 HG3 PRO A 88 0.094 -13.415 -13.705 1.00 75.03 H new ATOM 0 HD2 PRO A 88 1.084 -12.935 -11.210 1.00 73.12 H new ATOM 0 HD3 PRO A 88 1.927 -12.341 -12.627 1.00 73.12 H new ATOM 1256 N ASP A 89 -1.667 -10.661 -10.359 1.00 24.32 N ATOM 1257 CA ASP A 89 -2.756 -10.586 -9.399 1.00 44.51 C ATOM 1258 C ASP A 89 -2.463 -9.562 -8.294 1.00 33.21 C ATOM 1259 O ASP A 89 -3.183 -9.533 -7.298 1.00 52.10 O ATOM 1260 CB ASP A 89 -3.055 -11.993 -8.838 1.00 74.24 C ATOM 1261 CG ASP A 89 -3.988 -12.801 -9.734 1.00 54.30 C ATOM 1262 OD1 ASP A 89 -4.922 -12.234 -10.342 1.00 62.41 O ATOM 1263 OD2 ASP A 89 -3.783 -14.030 -9.877 1.00 43.33 O ATOM 0 H ASP A 89 -0.861 -11.162 -9.985 1.00 24.32 H new ATOM 0 HA ASP A 89 -3.653 -10.231 -9.907 1.00 44.51 H new ATOM 0 HB2 ASP A 89 -2.118 -12.536 -8.713 1.00 74.24 H new ATOM 0 HB3 ASP A 89 -3.502 -11.897 -7.848 1.00 74.24 H new ATOM 1267 N ILE A 90 -1.449 -8.698 -8.435 1.00 12.13 N ATOM 1268 CA ILE A 90 -1.202 -7.646 -7.449 1.00 34.23 C ATOM 1269 C ILE A 90 -2.234 -6.514 -7.583 1.00 15.31 C ATOM 1270 O ILE A 90 -2.779 -6.271 -8.660 1.00 63.42 O ATOM 1271 CB ILE A 90 0.259 -7.152 -7.566 1.00 61.11 C ATOM 1272 CG1 ILE A 90 0.786 -6.543 -6.249 1.00 42.10 C ATOM 1273 CG2 ILE A 90 0.479 -6.181 -8.735 1.00 74.32 C ATOM 1274 CD1 ILE A 90 2.312 -6.639 -6.136 1.00 43.20 C ATOM 0 H ILE A 90 -0.793 -8.709 -9.216 1.00 12.13 H new ATOM 0 HA ILE A 90 -1.328 -8.050 -6.444 1.00 34.23 H new ATOM 0 HB ILE A 90 0.842 -8.048 -7.778 1.00 61.11 H new ATOM 0 HG12 ILE A 90 0.484 -5.497 -6.188 1.00 42.10 H new ATOM 0 HG13 ILE A 90 0.328 -7.057 -5.404 1.00 42.10 H new ATOM 0 HG21 ILE A 90 1.524 -5.873 -8.760 1.00 74.32 H new ATOM 0 HG22 ILE A 90 0.224 -6.676 -9.672 1.00 74.32 H new ATOM 0 HG23 ILE A 90 -0.155 -5.304 -8.604 1.00 74.32 H new ATOM 0 HD11 ILE A 90 2.636 -6.198 -5.193 1.00 43.20 H new ATOM 0 HD12 ILE A 90 2.614 -7.686 -6.169 1.00 43.20 H new ATOM 0 HD13 ILE A 90 2.773 -6.102 -6.965 1.00 43.20 H new ATOM 1285 N TRP A 91 -2.422 -5.750 -6.512 1.00 63.01 N ATOM 1286 CA TRP A 91 -3.181 -4.509 -6.442 1.00 35.11 C ATOM 1287 C TRP A 91 -2.225 -3.380 -6.053 1.00 53.23 C ATOM 1288 O TRP A 91 -1.163 -3.630 -5.485 1.00 32.43 O ATOM 1289 CB TRP A 91 -4.287 -4.647 -5.392 1.00 54.12 C ATOM 1290 CG TRP A 91 -5.436 -5.553 -5.725 1.00 71.10 C ATOM 1291 CD1 TRP A 91 -5.364 -6.894 -5.874 1.00 71.43 C ATOM 1292 CD2 TRP A 91 -6.850 -5.217 -5.871 1.00 21.11 C ATOM 1293 NE1 TRP A 91 -6.631 -7.405 -6.063 1.00 15.45 N ATOM 1294 CE2 TRP A 91 -7.591 -6.416 -6.066 1.00 64.21 C ATOM 1295 CE3 TRP A 91 -7.586 -4.018 -5.828 1.00 52.10 C ATOM 1296 CZ2 TRP A 91 -8.991 -6.422 -6.192 1.00 3.41 C ATOM 1297 CZ3 TRP A 91 -8.989 -4.002 -5.960 1.00 15.54 C ATOM 1298 CH2 TRP A 91 -9.694 -5.206 -6.131 1.00 4.51 C ATOM 0 H TRP A 91 -2.020 -6.000 -5.609 1.00 63.01 H new ATOM 0 HA TRP A 91 -3.639 -4.288 -7.406 1.00 35.11 H new ATOM 0 HB2 TRP A 91 -3.833 -5.002 -4.467 1.00 54.12 H new ATOM 0 HB3 TRP A 91 -4.687 -3.654 -5.189 1.00 54.12 H new ATOM 0 HD1 TRP A 91 -4.455 -7.476 -5.849 1.00 71.43 H new ATOM 0 HE1 TRP A 91 -6.834 -8.397 -6.186 1.00 15.45 H new ATOM 0 HE3 TRP A 91 -7.061 -3.084 -5.690 1.00 52.10 H new ATOM 0 HZ2 TRP A 91 -9.522 -7.352 -6.334 1.00 3.41 H new ATOM 0 HZ3 TRP A 91 -9.523 -3.064 -5.930 1.00 15.54 H new ATOM 0 HH2 TRP A 91 -10.771 -5.197 -6.215 1.00 4.51 H new ATOM 1308 N VAL A 92 -2.597 -2.128 -6.320 1.00 72.04 N ATOM 1309 CA VAL A 92 -1.747 -0.966 -6.088 1.00 3.11 C ATOM 1310 C VAL A 92 -2.623 0.114 -5.472 1.00 4.11 C ATOM 1311 O VAL A 92 -3.598 0.565 -6.084 1.00 72.32 O ATOM 1312 CB VAL A 92 -1.067 -0.509 -7.395 1.00 43.34 C ATOM 1313 CG1 VAL A 92 -0.149 0.702 -7.186 1.00 60.14 C ATOM 1314 CG2 VAL A 92 -0.196 -1.607 -8.029 1.00 3.11 C ATOM 0 H VAL A 92 -3.510 -1.892 -6.709 1.00 72.04 H new ATOM 0 HA VAL A 92 -0.932 -1.204 -5.405 1.00 3.11 H new ATOM 0 HB VAL A 92 -1.899 -0.255 -8.052 1.00 43.34 H new ATOM 0 HG11 VAL A 92 0.305 0.983 -8.136 1.00 60.14 H new ATOM 0 HG12 VAL A 92 -0.732 1.538 -6.801 1.00 60.14 H new ATOM 0 HG13 VAL A 92 0.634 0.446 -6.472 1.00 60.14 H new ATOM 0 HG21 VAL A 92 0.257 -1.228 -8.945 1.00 3.11 H new ATOM 0 HG22 VAL A 92 0.588 -1.898 -7.330 1.00 3.11 H new ATOM 0 HG23 VAL A 92 -0.815 -2.474 -8.261 1.00 3.11 H new ATOM 1324 N VAL A 93 -2.275 0.487 -4.251 1.00 13.34 N ATOM 1325 CA VAL A 93 -2.900 1.494 -3.428 1.00 75.02 C ATOM 1326 C VAL A 93 -1.991 2.722 -3.491 1.00 60.40 C ATOM 1327 O VAL A 93 -0.790 2.628 -3.222 1.00 32.35 O ATOM 1328 CB VAL A 93 -2.986 0.934 -1.995 1.00 13.34 C ATOM 1329 CG1 VAL A 93 -3.448 1.955 -0.961 1.00 42.32 C ATOM 1330 CG2 VAL A 93 -3.819 -0.355 -1.867 1.00 60.11 C ATOM 0 H VAL A 93 -1.482 0.054 -3.777 1.00 13.34 H new ATOM 0 HA VAL A 93 -3.904 1.761 -3.757 1.00 75.02 H new ATOM 0 HB VAL A 93 -1.950 0.676 -1.773 1.00 13.34 H new ATOM 0 HG11 VAL A 93 -3.483 1.486 0.022 1.00 42.32 H new ATOM 0 HG12 VAL A 93 -2.750 2.792 -0.939 1.00 42.32 H new ATOM 0 HG13 VAL A 93 -4.441 2.317 -1.226 1.00 42.32 H new ATOM 0 HG21 VAL A 93 -3.828 -0.681 -0.827 1.00 60.11 H new ATOM 0 HG22 VAL A 93 -4.840 -0.162 -2.195 1.00 60.11 H new ATOM 0 HG23 VAL A 93 -3.379 -1.135 -2.488 1.00 60.11 H new ATOM 1340 N GLU A 94 -2.575 3.880 -3.777 1.00 73.21 N ATOM 1341 CA GLU A 94 -1.921 5.178 -3.704 1.00 13.32 C ATOM 1342 C GLU A 94 -2.706 6.074 -2.754 1.00 12.21 C ATOM 1343 O GLU A 94 -3.938 6.086 -2.833 1.00 12.55 O ATOM 1344 CB GLU A 94 -1.893 5.755 -5.122 1.00 62.43 C ATOM 1345 CG GLU A 94 -0.866 5.066 -6.031 1.00 72.14 C ATOM 1346 CD GLU A 94 0.563 5.595 -5.880 1.00 40.14 C ATOM 1347 OE1 GLU A 94 0.737 6.728 -5.376 1.00 3.44 O ATOM 1348 OE2 GLU A 94 1.480 4.876 -6.346 1.00 33.14 O ATOM 0 H GLU A 94 -3.548 3.941 -4.076 1.00 73.21 H new ATOM 0 HA GLU A 94 -0.902 5.099 -3.324 1.00 13.32 H new ATOM 0 HB2 GLU A 94 -2.884 5.660 -5.566 1.00 62.43 H new ATOM 0 HB3 GLU A 94 -1.667 6.820 -5.070 1.00 62.43 H new ATOM 0 HG2 GLU A 94 -0.870 3.997 -5.819 1.00 72.14 H new ATOM 0 HG3 GLU A 94 -1.178 5.186 -7.069 1.00 72.14 H new ATOM 1353 N ILE A 95 -2.017 6.739 -1.820 1.00 12.43 N ATOM 1354 CA ILE A 95 -2.597 7.586 -0.787 1.00 42.34 C ATOM 1355 C ILE A 95 -1.881 8.940 -0.848 1.00 54.41 C ATOM 1356 O ILE A 95 -0.778 9.060 -0.305 1.00 3.13 O ATOM 1357 CB ILE A 95 -2.407 6.940 0.616 1.00 1.35 C ATOM 1358 CG1 ILE A 95 -2.639 5.418 0.696 1.00 74.40 C ATOM 1359 CG2 ILE A 95 -3.243 7.680 1.676 1.00 73.13 C ATOM 1360 CD1 ILE A 95 -4.091 4.991 0.496 1.00 32.24 C ATOM 0 H ILE A 95 -0.999 6.696 -1.766 1.00 12.43 H new ATOM 0 HA ILE A 95 -3.667 7.709 -0.952 1.00 42.34 H new ATOM 0 HB ILE A 95 -1.344 7.059 0.826 1.00 1.35 H new ATOM 0 HG12 ILE A 95 -2.022 4.928 -0.057 1.00 74.40 H new ATOM 0 HG13 ILE A 95 -2.299 5.061 1.668 1.00 74.40 H new ATOM 0 HG21 ILE A 95 -3.095 7.211 2.649 1.00 73.13 H new ATOM 0 HG22 ILE A 95 -2.929 8.723 1.724 1.00 73.13 H new ATOM 0 HG23 ILE A 95 -4.298 7.631 1.407 1.00 73.13 H new ATOM 0 HD11 ILE A 95 -4.164 3.906 0.568 1.00 32.24 H new ATOM 0 HD12 ILE A 95 -4.714 5.448 1.265 1.00 32.24 H new ATOM 0 HD13 ILE A 95 -4.433 5.313 -0.487 1.00 32.24 H new ATOM 1371 N GLU A 96 -2.462 9.959 -1.490 1.00 61.13 N ATOM 1372 CA GLU A 96 -1.933 11.309 -1.324 1.00 44.22 C ATOM 1373 C GLU A 96 -2.258 11.769 0.085 1.00 43.55 C ATOM 1374 O GLU A 96 -3.432 11.937 0.428 1.00 32.13 O ATOM 1375 CB GLU A 96 -2.508 12.354 -2.281 1.00 54.22 C ATOM 1376 CG GLU A 96 -2.384 11.974 -3.748 1.00 21.14 C ATOM 1377 CD GLU A 96 -2.625 13.181 -4.660 1.00 55.53 C ATOM 1378 OE1 GLU A 96 -3.434 14.082 -4.326 1.00 22.43 O ATOM 1379 OE2 GLU A 96 -1.876 13.324 -5.654 1.00 14.21 O ATOM 0 H GLU A 96 -3.270 9.878 -2.107 1.00 61.13 H new ATOM 0 HA GLU A 96 -0.866 11.240 -1.536 1.00 44.22 H new ATOM 0 HB2 GLU A 96 -3.560 12.511 -2.043 1.00 54.22 H new ATOM 0 HB3 GLU A 96 -1.999 13.304 -2.117 1.00 54.22 H new ATOM 0 HG2 GLU A 96 -1.391 11.566 -3.937 1.00 21.14 H new ATOM 0 HG3 GLU A 96 -3.102 11.189 -3.984 1.00 21.14 H new ATOM 1384 N ASP A 97 -1.229 12.024 0.880 1.00 15.54 N ATOM 1385 CA ASP A 97 -1.373 12.662 2.179 1.00 23.43 C ATOM 1386 C ASP A 97 -0.209 13.596 2.429 1.00 72.35 C ATOM 1387 O ASP A 97 0.704 13.692 1.612 1.00 22.01 O ATOM 1388 CB ASP A 97 -1.507 11.612 3.283 1.00 31.41 C ATOM 1389 CG ASP A 97 -2.583 12.059 4.263 1.00 72.31 C ATOM 1390 OD1 ASP A 97 -2.564 13.228 4.724 1.00 71.33 O ATOM 1391 OD2 ASP A 97 -3.468 11.233 4.562 1.00 21.12 O ATOM 0 H ASP A 97 -0.265 11.792 0.640 1.00 15.54 H new ATOM 0 HA ASP A 97 -2.287 13.256 2.186 1.00 23.43 H new ATOM 0 HB2 ASP A 97 -1.767 10.645 2.853 1.00 31.41 H new ATOM 0 HB3 ASP A 97 -0.556 11.485 3.800 1.00 31.41 H new ATOM 1395 N ARG A 98 -0.269 14.330 3.534 1.00 73.23 N ATOM 1396 CA ARG A 98 0.760 15.273 3.955 1.00 40.43 C ATOM 1397 C ARG A 98 1.932 14.530 4.574 1.00 75.03 C ATOM 1398 O ARG A 98 3.049 14.636 4.080 1.00 54.43 O ATOM 1399 CB ARG A 98 0.188 16.331 4.906 1.00 22.23 C ATOM 1400 CG ARG A 98 -0.920 15.794 5.809 1.00 2.42 C ATOM 1401 CD ARG A 98 -1.243 16.692 7.005 1.00 15.13 C ATOM 1402 NE ARG A 98 -2.693 16.690 7.253 1.00 33.20 N ATOM 1403 CZ ARG A 98 -3.442 15.628 7.562 1.00 52.11 C ATOM 1404 NH1 ARG A 98 -2.878 14.500 7.990 1.00 64.41 N ATOM 1405 NH2 ARG A 98 -4.759 15.686 7.412 1.00 51.52 N ATOM 0 H ARG A 98 -1.057 14.284 4.180 1.00 73.23 H new ATOM 0 HA ARG A 98 1.126 15.803 3.076 1.00 40.43 H new ATOM 0 HB2 ARG A 98 0.993 16.726 5.526 1.00 22.23 H new ATOM 0 HB3 ARG A 98 -0.201 17.164 4.320 1.00 22.23 H new ATOM 0 HG2 ARG A 98 -1.824 15.659 5.215 1.00 2.42 H new ATOM 0 HG3 ARG A 98 -0.630 14.809 6.176 1.00 2.42 H new ATOM 0 HD2 ARG A 98 -0.713 16.339 7.890 1.00 15.13 H new ATOM 0 HD3 ARG A 98 -0.899 17.708 6.812 1.00 15.13 H new ATOM 0 HE ARG A 98 -3.173 17.587 7.182 1.00 33.20 H new ATOM 0 HH11 ARG A 98 -1.864 14.441 8.085 1.00 64.41 H new ATOM 0 HH12 ARG A 98 -3.460 13.695 8.223 1.00 64.41 H new ATOM 0 HH21 ARG A 98 -5.195 16.539 7.062 1.00 51.52 H new ATOM 0 HH22 ARG A 98 -5.335 14.878 7.647 1.00 51.52 H new ATOM 1416 N ASP A 99 1.683 13.789 5.647 1.00 40.51 N ATOM 1417 CA ASP A 99 2.674 13.054 6.422 1.00 1.40 C ATOM 1418 C ASP A 99 2.454 11.563 6.177 1.00 13.10 C ATOM 1419 O ASP A 99 2.294 10.779 7.122 1.00 54.33 O ATOM 1420 CB ASP A 99 2.573 13.399 7.918 1.00 44.52 C ATOM 1421 CG ASP A 99 2.734 14.880 8.240 1.00 50.41 C ATOM 1422 OD1 ASP A 99 1.765 15.643 8.047 1.00 42.31 O ATOM 1423 OD2 ASP A 99 3.811 15.278 8.739 1.00 31.40 O ATOM 0 H ASP A 99 0.739 13.679 6.018 1.00 40.51 H new ATOM 0 HA ASP A 99 3.679 13.334 6.106 1.00 1.40 H new ATOM 0 HB2 ASP A 99 1.605 13.063 8.290 1.00 44.52 H new ATOM 0 HB3 ASP A 99 3.335 12.838 8.459 1.00 44.52 H new ATOM 1427 N GLY A 100 2.366 11.177 4.902 1.00 3.40 N ATOM 1428 CA GLY A 100 2.646 9.810 4.498 1.00 53.52 C ATOM 1429 C GLY A 100 1.613 8.786 4.952 1.00 32.02 C ATOM 1430 O GLY A 100 1.962 7.616 5.101 1.00 24.41 O ATOM 0 H GLY A 100 2.102 11.797 4.136 1.00 3.40 H new ATOM 0 HA2 GLY A 100 2.719 9.775 3.411 1.00 53.52 H new ATOM 0 HA3 GLY A 100 3.621 9.522 4.892 1.00 53.52 H new ATOM 1434 N ARG A 101 0.367 9.197 5.238 1.00 74.45 N ATOM 1435 CA ARG A 101 -0.595 8.415 6.016 1.00 21.23 C ATOM 1436 C ARG A 101 -0.828 7.047 5.451 1.00 75.24 C ATOM 1437 O ARG A 101 -1.594 6.800 4.524 1.00 14.41 O ATOM 1438 CB ARG A 101 -1.887 9.174 6.281 1.00 2.52 C ATOM 1439 CG ARG A 101 -2.304 9.171 7.758 1.00 74.11 C ATOM 1440 CD ARG A 101 -2.590 7.754 8.269 1.00 24.00 C ATOM 1441 NE ARG A 101 -3.254 7.763 9.580 1.00 63.13 N ATOM 1442 CZ ARG A 101 -3.369 6.739 10.439 1.00 51.22 C ATOM 1443 NH1 ARG A 101 -2.873 5.527 10.172 1.00 61.30 N ATOM 1444 NH2 ARG A 101 -3.983 6.948 11.599 1.00 4.10 N ATOM 0 H ARG A 101 -0.001 10.096 4.928 1.00 74.45 H new ATOM 0 HA ARG A 101 -0.134 8.256 6.991 1.00 21.23 H new ATOM 0 HB2 ARG A 101 -1.769 10.205 5.947 1.00 2.52 H new ATOM 0 HB3 ARG A 101 -2.687 8.735 5.685 1.00 2.52 H new ATOM 0 HG2 ARG A 101 -1.514 9.621 8.359 1.00 74.11 H new ATOM 0 HG3 ARG A 101 -3.193 9.789 7.885 1.00 74.11 H new ATOM 0 HD2 ARG A 101 -3.218 7.229 7.549 1.00 24.00 H new ATOM 0 HD3 ARG A 101 -1.655 7.199 8.341 1.00 24.00 H new ATOM 0 HE ARG A 101 -3.674 8.646 9.869 1.00 63.13 H new ATOM 0 HH11 ARG A 101 -2.388 5.357 9.291 1.00 61.30 H new ATOM 0 HH12 ARG A 101 -2.979 4.772 10.849 1.00 61.30 H new ATOM 0 HH21 ARG A 101 -4.355 7.872 11.820 1.00 4.10 H new ATOM 0 HH22 ARG A 101 -4.083 6.185 12.268 1.00 4.10 H new ATOM 1455 N HIS A 102 -0.208 6.107 6.134 1.00 54.32 N ATOM 1456 CA HIS A 102 -0.403 4.722 5.922 1.00 50.50 C ATOM 1457 C HIS A 102 -1.564 4.411 6.837 1.00 34.23 C ATOM 1458 O HIS A 102 -1.447 4.072 8.011 1.00 64.33 O ATOM 1459 CB HIS A 102 0.923 3.986 6.156 1.00 22.15 C ATOM 1460 CG HIS A 102 1.737 4.528 7.317 1.00 73.20 C ATOM 1461 ND1 HIS A 102 1.509 4.254 8.647 1.00 61.30 N ATOM 1462 CD2 HIS A 102 2.758 5.440 7.261 1.00 42.34 C ATOM 1463 CE1 HIS A 102 2.397 4.949 9.377 1.00 63.10 C ATOM 1464 NE2 HIS A 102 3.159 5.709 8.576 1.00 34.22 N ATOM 0 H HIS A 102 0.465 6.313 6.873 1.00 54.32 H new ATOM 0 HA HIS A 102 -0.662 4.396 4.915 1.00 50.50 H new ATOM 0 HB2 HIS A 102 0.714 2.931 6.334 1.00 22.15 H new ATOM 0 HB3 HIS A 102 1.523 4.043 5.248 1.00 22.15 H new ATOM 0 HD2 HIS A 102 3.178 5.873 6.365 1.00 42.34 H new ATOM 0 HE1 HIS A 102 2.485 4.903 10.452 1.00 63.10 H new ATOM 0 HE2 HIS A 102 3.890 6.358 8.868 1.00 34.22 H new ATOM 1471 N PHE A 103 -2.727 4.659 6.261 1.00 22.14 N ATOM 1472 CA PHE A 103 -4.049 4.428 6.852 1.00 2.53 C ATOM 1473 C PHE A 103 -4.402 2.941 7.013 1.00 72.23 C ATOM 1474 O PHE A 103 -5.534 2.603 7.355 1.00 44.22 O ATOM 1475 CB PHE A 103 -5.147 5.100 6.001 1.00 64.01 C ATOM 1476 CG PHE A 103 -5.431 6.507 6.443 1.00 34.45 C ATOM 1477 CD1 PHE A 103 -6.085 6.748 7.666 1.00 4.41 C ATOM 1478 CD2 PHE A 103 -4.994 7.574 5.648 1.00 22.20 C ATOM 1479 CE1 PHE A 103 -6.322 8.068 8.086 1.00 42.51 C ATOM 1480 CE2 PHE A 103 -5.305 8.886 6.037 1.00 73.35 C ATOM 1481 CZ PHE A 103 -5.943 9.139 7.263 1.00 0.24 C ATOM 0 H PHE A 103 -2.786 5.047 5.320 1.00 22.14 H new ATOM 0 HA PHE A 103 -4.002 4.867 7.848 1.00 2.53 H new ATOM 0 HB2 PHE A 103 -4.840 5.105 4.955 1.00 64.01 H new ATOM 0 HB3 PHE A 103 -6.062 4.511 6.062 1.00 64.01 H new ATOM 0 HD1 PHE A 103 -6.404 5.919 8.281 1.00 4.41 H new ATOM 0 HD2 PHE A 103 -4.426 7.390 4.748 1.00 22.20 H new ATOM 0 HE1 PHE A 103 -6.794 8.257 9.039 1.00 42.51 H new ATOM 0 HE2 PHE A 103 -5.051 9.710 5.387 1.00 73.35 H new ATOM 0 HZ PHE A 103 -6.141 10.155 7.571 1.00 0.24 H new ATOM 1490 N LEU A 104 -3.479 2.043 6.681 1.00 52.21 N ATOM 1491 CA LEU A 104 -3.737 0.670 6.292 1.00 15.15 C ATOM 1492 C LEU A 104 -4.436 -0.130 7.391 1.00 20.11 C ATOM 1493 O LEU A 104 -4.368 0.205 8.575 1.00 53.44 O ATOM 1494 CB LEU A 104 -2.423 0.043 5.779 1.00 1.45 C ATOM 1495 CG LEU A 104 -1.808 0.792 4.565 1.00 13.44 C ATOM 1496 CD1 LEU A 104 -2.805 1.332 3.547 1.00 44.34 C ATOM 1497 CD2 LEU A 104 -0.771 1.759 4.992 1.00 51.23 C ATOM 0 H LEU A 104 -2.484 2.269 6.677 1.00 52.21 H new ATOM 0 HA LEU A 104 -4.454 0.648 5.471 1.00 15.15 H new ATOM 0 HB2 LEU A 104 -1.696 0.027 6.591 1.00 1.45 H new ATOM 0 HB3 LEU A 104 -2.610 -0.994 5.499 1.00 1.45 H new ATOM 0 HG LEU A 104 -1.298 0.027 3.980 1.00 13.44 H new ATOM 0 HD11 LEU A 104 -2.268 1.835 2.743 1.00 44.34 H new ATOM 0 HD12 LEU A 104 -3.386 0.507 3.134 1.00 44.34 H new ATOM 0 HD13 LEU A 104 -3.475 2.040 4.034 1.00 44.34 H new ATOM 0 HD21 LEU A 104 -0.363 2.265 4.117 1.00 51.23 H new ATOM 0 HD22 LEU A 104 -1.214 2.495 5.663 1.00 51.23 H new ATOM 0 HD23 LEU A 104 0.028 1.230 5.511 1.00 51.23 H new ATOM 1508 N THR A 105 -5.142 -1.182 6.990 1.00 43.40 N ATOM 1509 CA THR A 105 -5.953 -2.062 7.835 1.00 22.02 C ATOM 1510 C THR A 105 -5.091 -2.965 8.738 1.00 2.35 C ATOM 1511 O THR A 105 -5.598 -3.902 9.360 1.00 44.21 O ATOM 1512 CB THR A 105 -6.886 -2.883 6.914 1.00 42.21 C ATOM 1513 OG1 THR A 105 -6.193 -3.449 5.818 1.00 0.11 O ATOM 1514 CG2 THR A 105 -7.988 -2.024 6.289 1.00 2.43 C ATOM 0 H THR A 105 -5.167 -1.463 6.010 1.00 43.40 H new ATOM 0 HA THR A 105 -6.549 -1.459 8.520 1.00 22.02 H new ATOM 0 HB THR A 105 -7.300 -3.651 7.567 1.00 42.21 H new ATOM 0 HG1 THR A 105 -6.656 -4.260 5.521 1.00 0.11 H new ATOM 0 HG21 THR A 105 -8.616 -2.646 5.651 1.00 2.43 H new ATOM 0 HG22 THR A 105 -8.597 -1.582 7.078 1.00 2.43 H new ATOM 0 HG23 THR A 105 -7.537 -1.231 5.692 1.00 2.43 H new ATOM 1522 N GLU A 106 -3.776 -2.762 8.727 1.00 63.24 N ATOM 1523 CA GLU A 106 -2.725 -3.709 9.067 1.00 43.54 C ATOM 1524 C GLU A 106 -1.590 -2.901 9.735 1.00 13.22 C ATOM 1525 O GLU A 106 -1.549 -1.670 9.578 1.00 42.53 O ATOM 1526 CB GLU A 106 -2.288 -4.402 7.755 1.00 43.23 C ATOM 1527 CG GLU A 106 -3.390 -5.334 7.213 1.00 12.33 C ATOM 1528 CD GLU A 106 -3.227 -5.753 5.755 1.00 53.11 C ATOM 1529 OE1 GLU A 106 -3.215 -4.838 4.898 1.00 33.12 O ATOM 1530 OE2 GLU A 106 -3.323 -6.974 5.493 1.00 62.01 O ATOM 0 H GLU A 106 -3.390 -1.857 8.458 1.00 63.24 H new ATOM 0 HA GLU A 106 -3.041 -4.486 9.763 1.00 43.54 H new ATOM 0 HB2 GLU A 106 -2.048 -3.647 7.006 1.00 43.23 H new ATOM 0 HB3 GLU A 106 -1.379 -4.976 7.931 1.00 43.23 H new ATOM 0 HG2 GLU A 106 -3.421 -6.231 7.831 1.00 12.33 H new ATOM 0 HG3 GLU A 106 -4.353 -4.836 7.326 1.00 12.33 H new ATOM 1535 N PRO A 107 -0.669 -3.535 10.482 1.00 25.21 N ATOM 1536 CA PRO A 107 0.426 -2.836 11.141 1.00 45.10 C ATOM 1537 C PRO A 107 1.466 -2.409 10.107 1.00 31.43 C ATOM 1538 O PRO A 107 1.561 -2.998 9.026 1.00 61.30 O ATOM 1539 CB PRO A 107 0.984 -3.831 12.160 1.00 65.04 C ATOM 1540 CG PRO A 107 0.706 -5.182 11.512 1.00 42.44 C ATOM 1541 CD PRO A 107 -0.617 -4.954 10.788 1.00 70.23 C ATOM 0 HA PRO A 107 0.109 -1.920 11.640 1.00 45.10 H new ATOM 0 HB2 PRO A 107 2.049 -3.678 12.331 1.00 65.04 H new ATOM 0 HB3 PRO A 107 0.489 -3.738 13.127 1.00 65.04 H new ATOM 0 HG2 PRO A 107 1.499 -5.468 10.821 1.00 42.44 H new ATOM 0 HG3 PRO A 107 0.627 -5.976 12.254 1.00 42.44 H new ATOM 0 HD2 PRO A 107 -0.671 -5.551 9.878 1.00 70.23 H new ATOM 0 HD3 PRO A 107 -1.460 -5.249 11.413 1.00 70.23 H new ATOM 1546 N VAL A 108 2.257 -1.395 10.454 1.00 2.14 N ATOM 1547 CA VAL A 108 3.148 -0.703 9.543 1.00 33.22 C ATOM 1548 C VAL A 108 4.527 -0.578 10.198 1.00 44.23 C ATOM 1549 O VAL A 108 4.668 0.031 11.262 1.00 23.42 O ATOM 1550 CB VAL A 108 2.550 0.654 9.107 1.00 30.22 C ATOM 1551 CG1 VAL A 108 3.347 1.200 7.920 1.00 42.54 C ATOM 1552 CG2 VAL A 108 1.062 0.582 8.710 1.00 24.41 C ATOM 0 H VAL A 108 2.292 -1.027 11.405 1.00 2.14 H new ATOM 0 HA VAL A 108 3.268 -1.276 8.624 1.00 33.22 H new ATOM 0 HB VAL A 108 2.616 1.310 9.975 1.00 30.22 H new ATOM 0 HG11 VAL A 108 2.928 2.157 7.610 1.00 42.54 H new ATOM 0 HG12 VAL A 108 4.388 1.337 8.213 1.00 42.54 H new ATOM 0 HG13 VAL A 108 3.294 0.495 7.091 1.00 42.54 H new ATOM 0 HG21 VAL A 108 0.715 1.573 8.417 1.00 24.41 H new ATOM 0 HG22 VAL A 108 0.941 -0.107 7.874 1.00 24.41 H new ATOM 0 HG23 VAL A 108 0.476 0.229 9.558 1.00 24.41 H new ATOM 1562 N GLU A 109 5.532 -1.178 9.573 1.00 72.42 N ATOM 1563 CA GLU A 109 6.946 -1.165 9.905 1.00 2.22 C ATOM 1564 C GLU A 109 7.650 0.026 9.248 1.00 50.53 C ATOM 1565 O GLU A 109 7.016 0.931 8.701 1.00 63.24 O ATOM 1566 CB GLU A 109 7.533 -2.517 9.460 1.00 11.12 C ATOM 1567 CG GLU A 109 7.297 -3.597 10.506 1.00 62.04 C ATOM 1568 CD GLU A 109 8.548 -4.403 10.846 1.00 71.34 C ATOM 1569 OE1 GLU A 109 9.157 -5.017 9.945 1.00 72.43 O ATOM 1570 OE2 GLU A 109 8.857 -4.528 12.053 1.00 1.45 O ATOM 0 H GLU A 109 5.357 -1.740 8.740 1.00 72.42 H new ATOM 0 HA GLU A 109 7.096 -1.041 10.977 1.00 2.22 H new ATOM 0 HB2 GLU A 109 7.080 -2.818 8.515 1.00 11.12 H new ATOM 0 HB3 GLU A 109 8.603 -2.410 9.281 1.00 11.12 H new ATOM 0 HG2 GLU A 109 6.916 -3.133 11.416 1.00 62.04 H new ATOM 0 HG3 GLU A 109 6.524 -4.276 10.147 1.00 62.04 H new ATOM 1575 N SER A 110 8.970 0.074 9.393 1.00 24.13 N ATOM 1576 CA SER A 110 9.854 1.126 8.917 1.00 25.14 C ATOM 1577 C SER A 110 10.843 0.512 7.922 1.00 72.44 C ATOM 1578 O SER A 110 10.558 -0.579 7.372 1.00 52.22 O ATOM 1579 CB SER A 110 10.528 1.762 10.143 1.00 25.21 C ATOM 1580 OG SER A 110 11.371 2.821 9.746 1.00 14.44 O ATOM 0 H SER A 110 9.480 -0.666 9.875 1.00 24.13 H new ATOM 0 HA SER A 110 9.323 1.917 8.388 1.00 25.14 H new ATOM 0 HB2 SER A 110 9.769 2.132 10.832 1.00 25.21 H new ATOM 0 HB3 SER A 110 11.106 1.010 10.679 1.00 25.21 H new ATOM 0 HG SER A 110 11.792 3.218 10.537 1.00 14.44 H new