USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 757 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 31 THR OG1 : rot 140:sc= -0.651 USER MOD Set 1.2: A 42 MET CE :methyl -152:sc= -0.0839 (180deg=-0.489) USER MOD Set 2.1: A 22 THR OG1 : rot -130:sc= -0.41 USER MOD Set 2.2: A 55 GLN : amide:sc= -2.13 K(o=-2.5,f=-4.7!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -129:sc= 0.102 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -14:sc= 0.667! USER MOD Single : A 30 GLN : amide:sc= -2.67! C(o=-2.7!,f=-3.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -35:sc= 0.106 USER MOD Single : A 35 SER OG : rot -120:sc= -1.2 USER MOD Single : A 36 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.35) USER MOD Single : A 62 TYR OH : rot -15:sc= -0.967 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -167:sc= -0.297 USER MOD Single : A 71 ASN : amide:sc= -0.595 K(o=-0.6,f=-2.4!) USER MOD Single : A 72 THR OG1 : rot 72:sc= 0.635 USER MOD Single : A 77 HIS : no HE2:sc= -0.0285 X(o=-0.028,f=-0.52) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0278 USER MOD Single : A 89 SER OG : rot -44:sc= 0.876 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 19:sc= 0.0744! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.094 -0.276 -0.410 1.00 61.22 N ATOM 2 CA PRO A 1 3.149 -0.173 -1.423 1.00 2.45 C ATOM 3 C PRO A 1 3.031 -1.249 -2.496 1.00 33.33 C ATOM 4 O PRO A 1 2.026 -1.957 -2.571 1.00 35.30 O ATOM 5 CB PRO A 1 4.436 -0.362 -0.615 1.00 34.02 C ATOM 6 CG PRO A 1 4.021 -1.151 0.579 1.00 73.13 C ATOM 7 CD PRO A 1 2.616 -0.717 0.894 1.00 20.13 C ATOM 0 H2 PRO A 1 1.382 -0.933 -0.729 1.00 61.22 H new ATOM 0 H3 PRO A 1 1.638 0.630 -0.303 1.00 61.22 H new ATOM 0 HA PRO A 1 3.103 0.772 -1.964 1.00 2.45 H new ATOM 0 HB2 PRO A 1 5.193 -0.890 -1.195 1.00 34.02 H new ATOM 0 HB3 PRO A 1 4.866 0.597 -0.326 1.00 34.02 H new ATOM 0 HG2 PRO A 1 4.062 -2.221 0.374 1.00 73.13 H new ATOM 0 HG3 PRO A 1 4.686 -0.962 1.422 1.00 73.13 H new ATOM 0 HD2 PRO A 1 2.026 -1.535 1.307 1.00 20.13 H new ATOM 0 HD3 PRO A 1 2.599 0.090 1.627 1.00 20.13 H new ATOM 15 N LEU A 2 4.062 -1.368 -3.324 1.00 63.50 N ATOM 16 CA LEU A 2 4.074 -2.360 -4.394 1.00 21.32 C ATOM 17 C LEU A 2 5.501 -2.667 -4.836 1.00 42.14 C ATOM 18 O LEU A 2 6.441 -1.955 -4.480 1.00 15.30 O ATOM 19 CB LEU A 2 3.254 -1.864 -5.586 1.00 12.44 C ATOM 20 CG LEU A 2 2.035 -2.708 -5.960 1.00 0.30 C ATOM 21 CD1 LEU A 2 0.762 -2.080 -5.413 1.00 5.13 C ATOM 22 CD2 LEU A 2 1.944 -2.873 -7.470 1.00 51.50 C ATOM 0 H LEU A 2 4.901 -0.790 -3.276 1.00 63.50 H new ATOM 0 HA LEU A 2 3.627 -3.277 -4.010 1.00 21.32 H new ATOM 0 HB2 LEU A 2 2.917 -0.850 -5.373 1.00 12.44 H new ATOM 0 HB3 LEU A 2 3.911 -1.806 -6.454 1.00 12.44 H new ATOM 0 HG LEU A 2 2.150 -3.695 -5.513 1.00 0.30 H new ATOM 0 HD11 LEU A 2 -0.095 -2.695 -5.689 1.00 5.13 H new ATOM 0 HD12 LEU A 2 0.826 -2.014 -4.327 1.00 5.13 H new ATOM 0 HD13 LEU A 2 0.641 -1.080 -5.830 1.00 5.13 H new ATOM 0 HD21 LEU A 2 1.071 -3.476 -7.718 1.00 51.50 H new ATOM 0 HD22 LEU A 2 1.853 -1.893 -7.938 1.00 51.50 H new ATOM 0 HD23 LEU A 2 2.843 -3.368 -7.837 1.00 51.50 H new ATOM 34 N THR A 3 5.657 -3.731 -5.618 1.00 23.00 N ATOM 35 CA THR A 3 6.969 -4.132 -6.111 1.00 1.53 C ATOM 36 C THR A 3 6.945 -4.358 -7.618 1.00 13.10 C ATOM 37 O THR A 3 5.877 -4.421 -8.228 1.00 64.54 O ATOM 38 CB THR A 3 7.461 -5.416 -5.418 1.00 22.30 C ATOM 39 OG1 THR A 3 8.789 -5.730 -5.853 1.00 51.20 O ATOM 40 CG2 THR A 3 6.534 -6.584 -5.721 1.00 51.40 C ATOM 0 H THR A 3 4.891 -4.331 -5.924 1.00 23.00 H new ATOM 0 HA THR A 3 7.656 -3.318 -5.880 1.00 1.53 H new ATOM 0 HB THR A 3 7.463 -5.243 -4.342 1.00 22.30 H new ATOM 0 HG1 THR A 3 9.095 -6.547 -5.406 1.00 51.20 H new ATOM 0 HG21 THR A 3 6.902 -7.480 -5.221 1.00 51.40 H new ATOM 0 HG22 THR A 3 5.531 -6.355 -5.363 1.00 51.40 H new ATOM 0 HG23 THR A 3 6.505 -6.756 -6.797 1.00 51.40 H new ATOM 48 N ARG A 4 8.127 -4.480 -8.213 1.00 10.34 N ATOM 49 CA ARG A 4 8.241 -4.699 -9.650 1.00 15.25 C ATOM 50 C ARG A 4 7.333 -5.840 -10.099 1.00 30.22 C ATOM 51 O ARG A 4 6.947 -6.705 -9.313 1.00 34.25 O ATOM 52 CB ARG A 4 9.691 -5.007 -10.027 1.00 34.21 C ATOM 53 CG ARG A 4 10.402 -3.850 -10.709 1.00 52.10 C ATOM 54 CD ARG A 4 11.669 -4.311 -11.412 1.00 31.21 C ATOM 55 NE ARG A 4 11.756 -3.798 -12.776 1.00 53.14 N ATOM 56 CZ ARG A 4 12.823 -3.951 -13.553 1.00 11.35 C ATOM 57 NH1 ARG A 4 13.888 -4.599 -13.101 1.00 53.21 N ATOM 58 NH2 ARG A 4 12.826 -3.455 -14.783 1.00 40.14 N ATOM 0 H ARG A 4 9.020 -4.431 -7.722 1.00 10.34 H new ATOM 0 HA ARG A 4 7.927 -3.787 -10.158 1.00 15.25 H new ATOM 0 HB2 ARG A 4 10.241 -5.281 -9.127 1.00 34.21 H new ATOM 0 HB3 ARG A 4 9.709 -5.874 -10.688 1.00 34.21 H new ATOM 0 HG2 ARG A 4 9.732 -3.385 -11.432 1.00 52.10 H new ATOM 0 HG3 ARG A 4 10.651 -3.088 -9.970 1.00 52.10 H new ATOM 0 HD2 ARG A 4 12.539 -3.981 -10.844 1.00 31.21 H new ATOM 0 HD3 ARG A 4 11.696 -5.400 -11.432 1.00 31.21 H new ATOM 0 HE ARG A 4 10.953 -3.294 -13.153 1.00 53.14 H new ATOM 0 HH11 ARG A 4 13.889 -4.981 -12.155 1.00 53.21 H new ATOM 0 HH12 ARG A 4 14.706 -4.715 -13.699 1.00 53.21 H new ATOM 0 HH21 ARG A 4 12.009 -2.955 -15.133 1.00 40.14 H new ATOM 0 HH22 ARG A 4 13.646 -3.573 -15.379 1.00 40.14 H new ATOM 72 N PRO A 5 6.983 -5.844 -11.394 1.00 4.22 N ATOM 73 CA PRO A 5 6.117 -6.873 -11.977 1.00 44.20 C ATOM 74 C PRO A 5 6.805 -8.232 -12.058 1.00 10.53 C ATOM 75 O PRO A 5 6.243 -9.248 -11.649 1.00 13.20 O ATOM 76 CB PRO A 5 5.826 -6.337 -13.381 1.00 13.11 C ATOM 77 CG PRO A 5 6.982 -5.452 -13.696 1.00 51.04 C ATOM 78 CD PRO A 5 7.407 -4.844 -12.388 1.00 40.04 C ATOM 0 HA PRO A 5 5.223 -7.042 -11.376 1.00 44.20 H new ATOM 0 HB2 PRO A 5 5.740 -7.148 -14.104 1.00 13.11 H new ATOM 0 HB3 PRO A 5 4.886 -5.785 -13.407 1.00 13.11 H new ATOM 0 HG2 PRO A 5 7.797 -6.020 -14.145 1.00 51.04 H new ATOM 0 HG3 PRO A 5 6.699 -4.680 -14.411 1.00 51.04 H new ATOM 0 HD2 PRO A 5 8.483 -4.675 -12.354 1.00 40.04 H new ATOM 0 HD3 PRO A 5 6.927 -3.880 -12.218 1.00 40.04 H new ATOM 86 N TYR A 6 8.023 -8.242 -12.586 1.00 64.15 N ATOM 87 CA TYR A 6 8.787 -9.477 -12.722 1.00 51.14 C ATOM 88 C TYR A 6 9.840 -9.590 -11.624 1.00 40.13 C ATOM 89 O TYR A 6 10.318 -8.583 -11.100 1.00 33.15 O ATOM 90 CB TYR A 6 9.457 -9.538 -14.096 1.00 25.12 C ATOM 91 CG TYR A 6 9.085 -10.765 -14.897 1.00 52.35 C ATOM 92 CD1 TYR A 6 9.743 -11.973 -14.702 1.00 11.32 C ATOM 93 CD2 TYR A 6 8.076 -10.716 -15.851 1.00 54.40 C ATOM 94 CE1 TYR A 6 9.406 -13.096 -15.432 1.00 45.04 C ATOM 95 CE2 TYR A 6 7.731 -11.834 -16.585 1.00 64.11 C ATOM 96 CZ TYR A 6 8.400 -13.022 -16.372 1.00 52.34 C ATOM 97 OH TYR A 6 8.061 -14.138 -17.103 1.00 11.34 O ATOM 0 H TYR A 6 8.503 -7.409 -12.927 1.00 64.15 H new ATOM 0 HA TYR A 6 8.096 -10.315 -12.625 1.00 51.14 H new ATOM 0 HB2 TYR A 6 9.185 -8.648 -14.663 1.00 25.12 H new ATOM 0 HB3 TYR A 6 10.539 -9.514 -13.965 1.00 25.12 H new ATOM 0 HD1 TYR A 6 10.532 -12.035 -13.967 1.00 11.32 H new ATOM 0 HD2 TYR A 6 7.552 -9.787 -16.022 1.00 54.40 H new ATOM 0 HE1 TYR A 6 9.928 -14.027 -15.267 1.00 45.04 H new ATOM 0 HE2 TYR A 6 6.943 -11.779 -17.321 1.00 64.11 H new ATOM 0 HH TYR A 6 7.333 -13.916 -17.720 1.00 11.34 H new ATOM 107 N LEU A 7 10.198 -10.822 -11.282 1.00 21.51 N ATOM 108 CA LEU A 7 11.196 -11.070 -10.247 1.00 14.34 C ATOM 109 C LEU A 7 12.588 -11.207 -10.854 1.00 21.12 C ATOM 110 O LEU A 7 12.754 -11.787 -11.926 1.00 44.42 O ATOM 111 CB LEU A 7 10.842 -12.334 -9.462 1.00 21.04 C ATOM 112 CG LEU A 7 10.480 -13.563 -10.296 1.00 71.02 C ATOM 113 CD1 LEU A 7 11.284 -14.772 -9.843 1.00 42.33 C ATOM 114 CD2 LEU A 7 8.988 -13.848 -10.206 1.00 30.54 C ATOM 0 H LEU A 7 9.812 -11.666 -11.706 1.00 21.51 H new ATOM 0 HA LEU A 7 11.199 -10.217 -9.568 1.00 14.34 H new ATOM 0 HB2 LEU A 7 11.687 -12.589 -8.823 1.00 21.04 H new ATOM 0 HB3 LEU A 7 10.003 -12.106 -8.804 1.00 21.04 H new ATOM 0 HG LEU A 7 10.728 -13.357 -11.337 1.00 71.02 H new ATOM 0 HD11 LEU A 7 11.013 -15.637 -10.448 1.00 42.33 H new ATOM 0 HD12 LEU A 7 12.348 -14.566 -9.961 1.00 42.33 H new ATOM 0 HD13 LEU A 7 11.068 -14.980 -8.795 1.00 42.33 H new ATOM 0 HD21 LEU A 7 8.748 -14.726 -10.806 1.00 30.54 H new ATOM 0 HD22 LEU A 7 8.715 -14.033 -9.167 1.00 30.54 H new ATOM 0 HD23 LEU A 7 8.430 -12.990 -10.581 1.00 30.54 H new ATOM 126 N GLY A 8 13.587 -10.671 -10.159 1.00 20.43 N ATOM 127 CA GLY A 8 14.953 -10.747 -10.644 1.00 14.21 C ATOM 128 C GLY A 8 15.826 -11.637 -9.782 1.00 11.21 C ATOM 129 O GLY A 8 16.959 -11.281 -9.458 1.00 42.21 O ATOM 0 H GLY A 8 13.475 -10.186 -9.269 1.00 20.43 H new ATOM 0 HA2 GLY A 8 14.952 -11.125 -11.666 1.00 14.21 H new ATOM 0 HA3 GLY A 8 15.380 -9.745 -10.675 1.00 14.21 H new ATOM 133 N PHE A 9 15.298 -12.797 -9.407 1.00 71.35 N ATOM 134 CA PHE A 9 16.036 -13.740 -8.575 1.00 41.00 C ATOM 135 C PHE A 9 15.500 -15.158 -8.752 1.00 11.40 C ATOM 136 O PHE A 9 14.372 -15.354 -9.205 1.00 1.12 O ATOM 137 CB PHE A 9 15.950 -13.330 -7.103 1.00 53.15 C ATOM 138 CG PHE A 9 14.607 -13.596 -6.485 1.00 0.20 C ATOM 139 CD1 PHE A 9 14.478 -14.490 -5.435 1.00 23.15 C ATOM 140 CD2 PHE A 9 13.474 -12.952 -6.954 1.00 55.15 C ATOM 141 CE1 PHE A 9 13.244 -14.737 -4.863 1.00 2.22 C ATOM 142 CE2 PHE A 9 12.237 -13.194 -6.387 1.00 21.35 C ATOM 143 CZ PHE A 9 12.122 -14.089 -5.340 1.00 41.33 C ATOM 0 H PHE A 9 14.361 -13.107 -9.666 1.00 71.35 H new ATOM 0 HA PHE A 9 17.080 -13.723 -8.889 1.00 41.00 H new ATOM 0 HB2 PHE A 9 16.713 -13.866 -6.539 1.00 53.15 H new ATOM 0 HB3 PHE A 9 16.177 -12.268 -7.016 1.00 53.15 H new ATOM 0 HD1 PHE A 9 15.352 -15.000 -5.059 1.00 23.15 H new ATOM 0 HD2 PHE A 9 13.558 -12.252 -7.772 1.00 55.15 H new ATOM 0 HE1 PHE A 9 13.158 -15.436 -4.044 1.00 2.22 H new ATOM 0 HE2 PHE A 9 11.361 -12.684 -6.762 1.00 21.35 H new ATOM 0 HZ PHE A 9 11.156 -14.281 -4.896 1.00 41.33 H new ATOM 153 N ARG A 10 16.317 -16.142 -8.392 1.00 32.01 N ATOM 154 CA ARG A 10 15.926 -17.541 -8.512 1.00 63.52 C ATOM 155 C ARG A 10 15.801 -18.191 -7.137 1.00 64.22 C ATOM 156 O ARG A 10 16.511 -17.826 -6.200 1.00 31.23 O ATOM 157 CB ARG A 10 16.945 -18.306 -9.359 1.00 22.40 C ATOM 158 CG ARG A 10 16.976 -17.872 -10.815 1.00 41.40 C ATOM 159 CD ARG A 10 17.958 -18.704 -11.624 1.00 62.13 C ATOM 160 NE ARG A 10 17.785 -18.511 -13.062 1.00 3.35 N ATOM 161 CZ ARG A 10 18.712 -18.820 -13.961 1.00 43.44 C ATOM 162 NH1 ARG A 10 19.871 -19.334 -13.574 1.00 62.23 N ATOM 163 NH2 ARG A 10 18.481 -18.614 -15.252 1.00 34.33 N ATOM 0 H ARG A 10 17.253 -15.996 -8.015 1.00 32.01 H new ATOM 0 HA ARG A 10 14.953 -17.580 -9.002 1.00 63.52 H new ATOM 0 HB2 ARG A 10 17.937 -18.172 -8.928 1.00 22.40 H new ATOM 0 HB3 ARG A 10 16.718 -19.371 -9.311 1.00 22.40 H new ATOM 0 HG2 ARG A 10 15.979 -17.965 -11.245 1.00 41.40 H new ATOM 0 HG3 ARG A 10 17.253 -16.819 -10.876 1.00 41.40 H new ATOM 0 HD2 ARG A 10 18.977 -18.437 -11.343 1.00 62.13 H new ATOM 0 HD3 ARG A 10 17.826 -19.758 -11.381 1.00 62.13 H new ATOM 0 HE ARG A 10 16.904 -18.117 -13.393 1.00 3.35 H new ATOM 0 HH11 ARG A 10 20.053 -19.493 -12.583 1.00 62.23 H new ATOM 0 HH12 ARG A 10 20.581 -19.570 -14.267 1.00 62.23 H new ATOM 0 HH21 ARG A 10 17.591 -18.218 -15.554 1.00 34.33 H new ATOM 0 HH22 ARG A 10 19.194 -18.852 -15.942 1.00 34.33 H new ATOM 177 N VAL A 11 14.894 -19.156 -7.024 1.00 70.05 N ATOM 178 CA VAL A 11 14.676 -19.857 -5.765 1.00 21.22 C ATOM 179 C VAL A 11 14.562 -21.361 -5.986 1.00 24.43 C ATOM 180 O VAL A 11 13.821 -21.817 -6.856 1.00 11.13 O ATOM 181 CB VAL A 11 13.404 -19.356 -5.056 1.00 52.21 C ATOM 182 CG1 VAL A 11 13.611 -17.947 -4.521 1.00 34.23 C ATOM 183 CG2 VAL A 11 12.213 -19.406 -6.001 1.00 70.33 C ATOM 0 H VAL A 11 14.298 -19.470 -7.790 1.00 70.05 H new ATOM 0 HA VAL A 11 15.540 -19.650 -5.134 1.00 21.22 H new ATOM 0 HB VAL A 11 13.197 -20.013 -4.211 1.00 52.21 H new ATOM 0 HG11 VAL A 11 12.702 -17.610 -4.023 1.00 34.23 H new ATOM 0 HG12 VAL A 11 14.436 -17.946 -3.809 1.00 34.23 H new ATOM 0 HG13 VAL A 11 13.843 -17.275 -5.347 1.00 34.23 H new ATOM 0 HG21 VAL A 11 11.323 -19.049 -5.484 1.00 70.33 H new ATOM 0 HG22 VAL A 11 12.408 -18.773 -6.867 1.00 70.33 H new ATOM 0 HG23 VAL A 11 12.053 -20.432 -6.331 1.00 70.33 H new ATOM 193 N ALA A 12 15.302 -22.128 -5.191 1.00 62.14 N ATOM 194 CA ALA A 12 15.283 -23.582 -5.298 1.00 54.31 C ATOM 195 C ALA A 12 14.620 -24.213 -4.078 1.00 43.12 C ATOM 196 O ALA A 12 15.061 -24.012 -2.946 1.00 62.24 O ATOM 197 CB ALA A 12 16.696 -24.117 -5.470 1.00 23.31 C ATOM 0 H ALA A 12 15.922 -21.766 -4.466 1.00 62.14 H new ATOM 0 HA ALA A 12 14.696 -23.850 -6.177 1.00 54.31 H new ATOM 0 HB1 ALA A 12 16.667 -25.204 -5.549 1.00 23.31 H new ATOM 0 HB2 ALA A 12 17.135 -23.699 -6.376 1.00 23.31 H new ATOM 0 HB3 ALA A 12 17.300 -23.832 -4.609 1.00 23.31 H new ATOM 203 N VAL A 13 13.558 -24.976 -4.316 1.00 23.33 N ATOM 204 CA VAL A 13 12.835 -25.637 -3.236 1.00 21.30 C ATOM 205 C VAL A 13 13.519 -26.939 -2.833 1.00 73.11 C ATOM 206 O VAL A 13 13.749 -27.815 -3.665 1.00 74.35 O ATOM 207 CB VAL A 13 11.379 -25.938 -3.638 1.00 12.15 C ATOM 208 CG1 VAL A 13 11.336 -26.750 -4.923 1.00 30.43 C ATOM 209 CG2 VAL A 13 10.656 -26.664 -2.513 1.00 72.34 C ATOM 0 H VAL A 13 13.179 -25.152 -5.247 1.00 23.33 H new ATOM 0 HA VAL A 13 12.836 -24.952 -2.388 1.00 21.30 H new ATOM 0 HB VAL A 13 10.867 -24.993 -3.818 1.00 12.15 H new ATOM 0 HG11 VAL A 13 10.299 -26.953 -5.191 1.00 30.43 H new ATOM 0 HG12 VAL A 13 11.815 -26.188 -5.725 1.00 30.43 H new ATOM 0 HG13 VAL A 13 11.864 -27.692 -4.776 1.00 30.43 H new ATOM 0 HG21 VAL A 13 9.629 -26.869 -2.814 1.00 72.34 H new ATOM 0 HG22 VAL A 13 11.166 -27.603 -2.299 1.00 72.34 H new ATOM 0 HG23 VAL A 13 10.655 -26.040 -1.619 1.00 72.34 H new ATOM 219 N GLY A 14 13.841 -27.059 -1.549 1.00 22.13 N ATOM 220 CA GLY A 14 14.495 -28.258 -1.057 1.00 3.41 C ATOM 221 C GLY A 14 14.225 -28.504 0.414 1.00 12.41 C ATOM 222 O GLY A 14 13.241 -28.007 0.963 1.00 43.51 O ATOM 0 H GLY A 14 13.661 -26.348 -0.841 1.00 22.13 H new ATOM 0 HA2 GLY A 14 14.154 -29.117 -1.634 1.00 3.41 H new ATOM 0 HA3 GLY A 14 15.570 -28.173 -1.217 1.00 3.41 H new ATOM 226 N ARG A 15 15.098 -29.274 1.054 1.00 25.00 N ATOM 227 CA ARG A 15 14.947 -29.588 2.470 1.00 43.52 C ATOM 228 C ARG A 15 16.266 -29.395 3.213 1.00 31.01 C ATOM 229 O ARG A 15 17.301 -29.925 2.809 1.00 40.13 O ATOM 230 CB ARG A 15 14.455 -31.025 2.646 1.00 64.31 C ATOM 231 CG ARG A 15 13.101 -31.288 2.009 1.00 53.13 C ATOM 232 CD ARG A 15 12.065 -31.690 3.047 1.00 2.02 C ATOM 233 NE ARG A 15 10.718 -31.743 2.485 1.00 2.21 N ATOM 234 CZ ARG A 15 9.672 -32.248 3.129 1.00 24.44 C ATOM 235 NH1 ARG A 15 9.817 -32.742 4.352 1.00 45.55 N ATOM 236 NH2 ARG A 15 8.478 -32.261 2.551 1.00 1.23 N ATOM 0 H ARG A 15 15.918 -29.692 0.615 1.00 25.00 H new ATOM 0 HA ARG A 15 14.209 -28.905 2.891 1.00 43.52 H new ATOM 0 HB2 ARG A 15 15.188 -31.706 2.215 1.00 64.31 H new ATOM 0 HB3 ARG A 15 14.396 -31.252 3.710 1.00 64.31 H new ATOM 0 HG2 ARG A 15 12.764 -30.393 1.485 1.00 53.13 H new ATOM 0 HG3 ARG A 15 13.196 -32.077 1.263 1.00 53.13 H new ATOM 0 HD2 ARG A 15 12.324 -32.665 3.459 1.00 2.02 H new ATOM 0 HD3 ARG A 15 12.085 -30.979 3.873 1.00 2.02 H new ATOM 0 HE ARG A 15 10.573 -31.372 1.546 1.00 2.21 H new ATOM 0 HH11 ARG A 15 10.733 -32.734 4.800 1.00 45.55 H new ATOM 0 HH12 ARG A 15 9.012 -33.129 4.844 1.00 45.55 H new ATOM 0 HH21 ARG A 15 8.362 -31.883 1.611 1.00 1.23 H new ATOM 0 HH22 ARG A 15 7.676 -32.649 3.047 1.00 1.23 H new ATOM 250 N ASP A 16 16.220 -28.634 4.301 1.00 42.44 N ATOM 251 CA ASP A 16 17.411 -28.371 5.101 1.00 73.30 C ATOM 252 C ASP A 16 17.643 -29.490 6.112 1.00 42.21 C ATOM 253 O ASP A 16 16.866 -30.441 6.189 1.00 21.34 O ATOM 254 CB ASP A 16 17.279 -27.031 5.826 1.00 71.01 C ATOM 255 CG ASP A 16 15.956 -26.894 6.554 1.00 71.15 C ATOM 256 OD1 ASP A 16 15.282 -27.926 6.760 1.00 5.42 O ATOM 257 OD2 ASP A 16 15.594 -25.756 6.917 1.00 3.40 O ATOM 0 H ASP A 16 15.371 -28.188 4.649 1.00 42.44 H new ATOM 0 HA ASP A 16 18.268 -28.328 4.429 1.00 73.30 H new ATOM 0 HB2 ASP A 16 18.096 -26.926 6.540 1.00 71.01 H new ATOM 0 HB3 ASP A 16 17.379 -26.220 5.105 1.00 71.01 H new ATOM 262 N SER A 17 18.718 -29.369 6.884 1.00 3.30 N ATOM 263 CA SER A 17 19.056 -30.372 7.887 1.00 41.00 C ATOM 264 C SER A 17 17.890 -30.597 8.845 1.00 51.14 C ATOM 265 O SER A 17 17.747 -31.673 9.425 1.00 63.24 O ATOM 266 CB SER A 17 20.298 -29.943 8.670 1.00 3.20 C ATOM 267 OG SER A 17 21.479 -30.179 7.923 1.00 60.21 O ATOM 0 H SER A 17 19.370 -28.586 6.834 1.00 3.30 H new ATOM 0 HA SER A 17 19.266 -31.309 7.371 1.00 41.00 H new ATOM 0 HB2 SER A 17 20.227 -28.884 8.919 1.00 3.20 H new ATOM 0 HB3 SER A 17 20.345 -30.489 9.612 1.00 3.20 H new ATOM 0 HG SER A 17 22.258 -29.895 8.445 1.00 60.21 H new ATOM 273 N SER A 18 17.058 -29.573 9.005 1.00 41.41 N ATOM 274 CA SER A 18 15.906 -29.656 9.895 1.00 51.42 C ATOM 275 C SER A 18 14.788 -30.477 9.260 1.00 14.14 C ATOM 276 O SER A 18 14.148 -31.292 9.924 1.00 70.25 O ATOM 277 CB SER A 18 15.395 -28.254 10.234 1.00 21.14 C ATOM 278 OG SER A 18 14.048 -28.295 10.673 1.00 41.51 O ATOM 0 H SER A 18 17.160 -28.676 8.530 1.00 41.41 H new ATOM 0 HA SER A 18 16.222 -30.152 10.813 1.00 51.42 H new ATOM 0 HB2 SER A 18 16.021 -27.813 11.010 1.00 21.14 H new ATOM 0 HB3 SER A 18 15.476 -27.612 9.357 1.00 21.14 H new ATOM 0 HG SER A 18 13.745 -27.387 10.885 1.00 41.51 H new ATOM 284 N GLY A 19 14.558 -30.255 7.970 1.00 54.13 N ATOM 285 CA GLY A 19 13.517 -30.981 7.266 1.00 14.01 C ATOM 286 C GLY A 19 12.174 -30.281 7.335 1.00 72.22 C ATOM 287 O GLY A 19 11.145 -30.919 7.564 1.00 41.41 O ATOM 0 H GLY A 19 15.074 -29.585 7.399 1.00 54.13 H new ATOM 0 HA2 GLY A 19 13.806 -31.104 6.222 1.00 14.01 H new ATOM 0 HA3 GLY A 19 13.425 -31.981 7.691 1.00 14.01 H new ATOM 291 N CYS A 20 12.182 -28.968 7.138 1.00 44.41 N ATOM 292 CA CYS A 20 10.956 -28.180 7.181 1.00 15.12 C ATOM 293 C CYS A 20 10.630 -27.605 5.807 1.00 51.24 C ATOM 294 O CYS A 20 9.754 -26.750 5.670 1.00 2.43 O ATOM 295 CB CYS A 20 11.087 -27.049 8.203 1.00 74.14 C ATOM 296 SG CYS A 20 10.337 -27.413 9.807 1.00 20.22 S ATOM 0 H CYS A 20 13.025 -28.426 6.947 1.00 44.41 H new ATOM 0 HA CYS A 20 10.141 -28.839 7.481 1.00 15.12 H new ATOM 0 HB2 CYS A 20 12.144 -26.827 8.350 1.00 74.14 H new ATOM 0 HB3 CYS A 20 10.627 -26.149 7.794 1.00 74.14 H new ATOM 0 HG CYS A 20 9.546 -26.439 10.147 1.00 20.22 H new ATOM 302 N THR A 21 11.342 -28.079 4.789 1.00 51.53 N ATOM 303 CA THR A 21 11.131 -27.610 3.425 1.00 41.21 C ATOM 304 C THR A 21 11.334 -26.102 3.324 1.00 63.50 C ATOM 305 O THR A 21 10.427 -25.322 3.614 1.00 1.21 O ATOM 306 CB THR A 21 9.718 -27.961 2.922 1.00 11.34 C ATOM 307 OG1 THR A 21 9.386 -29.304 3.291 1.00 64.11 O ATOM 308 CG2 THR A 21 9.627 -27.807 1.412 1.00 50.42 C ATOM 0 H THR A 21 12.070 -28.787 4.884 1.00 51.53 H new ATOM 0 HA THR A 21 11.867 -28.116 2.800 1.00 41.21 H new ATOM 0 HB THR A 21 9.011 -27.273 3.384 1.00 11.34 H new ATOM 0 HG1 THR A 21 8.486 -29.519 2.969 1.00 64.11 H new ATOM 0 HG21 THR A 21 8.620 -28.060 1.080 1.00 50.42 H new ATOM 0 HG22 THR A 21 9.851 -26.776 1.137 1.00 50.42 H new ATOM 0 HG23 THR A 21 10.345 -28.474 0.934 1.00 50.42 H new ATOM 316 N THR A 22 12.531 -25.698 2.910 1.00 40.41 N ATOM 317 CA THR A 22 12.854 -24.283 2.771 1.00 75.11 C ATOM 318 C THR A 22 13.365 -23.971 1.369 1.00 25.04 C ATOM 319 O THR A 22 13.634 -24.877 0.579 1.00 31.03 O ATOM 320 CB THR A 22 13.911 -23.844 3.801 1.00 23.31 C ATOM 321 OG1 THR A 22 15.215 -24.249 3.368 1.00 53.34 O ATOM 322 CG2 THR A 22 13.617 -24.444 5.168 1.00 61.12 C ATOM 0 H THR A 22 13.293 -26.331 2.665 1.00 40.41 H new ATOM 0 HA THR A 22 11.932 -23.729 2.950 1.00 75.11 H new ATOM 0 HB THR A 22 13.876 -22.758 3.883 1.00 23.31 H new ATOM 0 HG1 THR A 22 15.673 -24.714 4.099 1.00 53.34 H new ATOM 0 HG21 THR A 22 14.377 -24.120 5.879 1.00 61.12 H new ATOM 0 HG22 THR A 22 12.636 -24.111 5.508 1.00 61.12 H new ATOM 0 HG23 THR A 22 13.627 -25.532 5.098 1.00 61.12 H new ATOM 330 N LEU A 23 13.500 -22.685 1.067 1.00 54.54 N ATOM 331 CA LEU A 23 13.981 -22.252 -0.241 1.00 31.40 C ATOM 332 C LEU A 23 15.181 -21.322 -0.099 1.00 65.42 C ATOM 333 O LEU A 23 15.112 -20.303 0.587 1.00 52.33 O ATOM 334 CB LEU A 23 12.863 -21.547 -1.010 1.00 53.22 C ATOM 335 CG LEU A 23 11.894 -22.454 -1.769 1.00 60.33 C ATOM 336 CD1 LEU A 23 11.238 -23.446 -0.821 1.00 73.04 C ATOM 337 CD2 LEU A 23 10.841 -21.626 -2.490 1.00 52.33 C ATOM 0 H LEU A 23 13.283 -21.923 1.710 1.00 54.54 H new ATOM 0 HA LEU A 23 14.294 -23.136 -0.797 1.00 31.40 H new ATOM 0 HB2 LEU A 23 12.289 -20.945 -0.306 1.00 53.22 H new ATOM 0 HB3 LEU A 23 13.318 -20.858 -1.722 1.00 53.22 H new ATOM 0 HG LEU A 23 12.459 -23.014 -2.514 1.00 60.33 H new ATOM 0 HD11 LEU A 23 10.552 -24.083 -1.379 1.00 73.04 H new ATOM 0 HD12 LEU A 23 12.005 -24.062 -0.352 1.00 73.04 H new ATOM 0 HD13 LEU A 23 10.687 -22.905 -0.052 1.00 73.04 H new ATOM 0 HD21 LEU A 23 10.160 -22.289 -3.025 1.00 52.33 H new ATOM 0 HD22 LEU A 23 10.280 -21.039 -1.763 1.00 52.33 H new ATOM 0 HD23 LEU A 23 11.327 -20.957 -3.199 1.00 52.33 H new ATOM 349 N SER A 24 16.281 -21.680 -0.754 1.00 63.22 N ATOM 350 CA SER A 24 17.498 -20.879 -0.700 1.00 42.50 C ATOM 351 C SER A 24 17.529 -19.860 -1.836 1.00 32.14 C ATOM 352 O SER A 24 17.057 -20.132 -2.940 1.00 51.51 O ATOM 353 CB SER A 24 18.732 -21.780 -0.775 1.00 71.21 C ATOM 354 OG SER A 24 19.888 -21.101 -0.318 1.00 25.03 O ATOM 0 H SER A 24 16.354 -22.520 -1.328 1.00 63.22 H new ATOM 0 HA SER A 24 17.507 -20.341 0.248 1.00 42.50 H new ATOM 0 HB2 SER A 24 18.570 -22.674 -0.173 1.00 71.21 H new ATOM 0 HB3 SER A 24 18.883 -22.110 -1.803 1.00 71.21 H new ATOM 0 HG SER A 24 20.662 -21.699 -0.374 1.00 25.03 H new ATOM 360 N ILE A 25 18.087 -18.687 -1.555 1.00 61.41 N ATOM 361 CA ILE A 25 18.181 -17.628 -2.552 1.00 74.43 C ATOM 362 C ILE A 25 19.542 -17.638 -3.238 1.00 44.13 C ATOM 363 O ILE A 25 20.577 -17.753 -2.582 1.00 43.13 O ATOM 364 CB ILE A 25 17.944 -16.242 -1.925 1.00 10.11 C ATOM 365 CG1 ILE A 25 17.643 -15.210 -3.014 1.00 32.02 C ATOM 366 CG2 ILE A 25 19.154 -15.818 -1.106 1.00 13.13 C ATOM 367 CD1 ILE A 25 17.344 -13.830 -2.472 1.00 13.30 C ATOM 0 H ILE A 25 18.481 -18.446 -0.645 1.00 61.41 H new ATOM 0 HA ILE A 25 17.403 -17.821 -3.291 1.00 74.43 H new ATOM 0 HB ILE A 25 17.082 -16.303 -1.260 1.00 10.11 H new ATOM 0 HG12 ILE A 25 18.495 -15.149 -3.691 1.00 32.02 H new ATOM 0 HG13 ILE A 25 16.792 -15.553 -3.603 1.00 32.02 H new ATOM 0 HG21 ILE A 25 18.972 -14.836 -0.669 1.00 13.13 H new ATOM 0 HG22 ILE A 25 19.327 -16.543 -0.311 1.00 13.13 H new ATOM 0 HG23 ILE A 25 20.031 -15.771 -1.751 1.00 13.13 H new ATOM 0 HD11 ILE A 25 17.140 -13.150 -3.299 1.00 13.30 H new ATOM 0 HD12 ILE A 25 16.473 -13.877 -1.818 1.00 13.30 H new ATOM 0 HD13 ILE A 25 18.203 -13.467 -1.907 1.00 13.30 H new ATOM 379 N GLN A 26 19.533 -17.514 -4.562 1.00 22.44 N ATOM 380 CA GLN A 26 20.768 -17.508 -5.336 1.00 45.33 C ATOM 381 C GLN A 26 21.053 -16.117 -5.895 1.00 60.40 C ATOM 382 O GLN A 26 22.165 -15.832 -6.337 1.00 63.34 O ATOM 383 CB GLN A 26 20.685 -18.522 -6.478 1.00 54.13 C ATOM 384 CG GLN A 26 20.813 -19.966 -6.020 1.00 41.34 C ATOM 385 CD GLN A 26 19.943 -20.912 -6.823 1.00 60.44 C ATOM 386 OE1 GLN A 26 20.418 -21.585 -7.739 1.00 40.21 O ATOM 387 NE2 GLN A 26 18.661 -20.970 -6.484 1.00 35.00 N ATOM 0 H GLN A 26 18.685 -17.416 -5.120 1.00 22.44 H new ATOM 0 HA GLN A 26 21.585 -17.787 -4.671 1.00 45.33 H new ATOM 0 HB2 GLN A 26 19.734 -18.397 -6.996 1.00 54.13 H new ATOM 0 HB3 GLN A 26 21.472 -18.308 -7.201 1.00 54.13 H new ATOM 0 HG2 GLN A 26 21.854 -20.278 -6.102 1.00 41.34 H new ATOM 0 HG3 GLN A 26 20.541 -20.034 -4.967 1.00 41.34 H new ATOM 0 HE21 GLN A 26 18.309 -20.395 -5.718 1.00 35.00 H new ATOM 0 HE22 GLN A 26 18.027 -21.590 -6.989 1.00 35.00 H new ATOM 396 N GLU A 27 20.040 -15.257 -5.872 1.00 1.35 N ATOM 397 CA GLU A 27 20.182 -13.897 -6.377 1.00 45.53 C ATOM 398 C GLU A 27 19.765 -12.877 -5.321 1.00 41.04 C ATOM 399 O GLU A 27 19.601 -13.213 -4.149 1.00 13.14 O ATOM 400 CB GLU A 27 19.343 -13.709 -7.643 1.00 44.10 C ATOM 401 CG GLU A 27 20.119 -13.111 -8.805 1.00 24.43 C ATOM 402 CD GLU A 27 19.697 -13.684 -10.144 1.00 43.41 C ATOM 403 OE1 GLU A 27 19.966 -14.878 -10.389 1.00 73.51 O ATOM 404 OE2 GLU A 27 19.099 -12.937 -10.947 1.00 23.22 O ATOM 0 H GLU A 27 19.113 -15.478 -5.509 1.00 1.35 H new ATOM 0 HA GLU A 27 21.233 -13.735 -6.618 1.00 45.53 H new ATOM 0 HB2 GLU A 27 18.937 -14.674 -7.946 1.00 44.10 H new ATOM 0 HB3 GLU A 27 18.494 -13.064 -7.414 1.00 44.10 H new ATOM 0 HG2 GLU A 27 19.976 -12.030 -8.815 1.00 24.43 H new ATOM 0 HG3 GLU A 27 21.184 -13.290 -8.657 1.00 24.43 H new ATOM 411 N VAL A 28 19.596 -11.629 -5.747 1.00 12.13 N ATOM 412 CA VAL A 28 19.197 -10.560 -4.839 1.00 42.53 C ATOM 413 C VAL A 28 17.901 -9.902 -5.300 1.00 61.31 C ATOM 414 O VAL A 28 17.821 -9.371 -6.408 1.00 55.12 O ATOM 415 CB VAL A 28 20.293 -9.483 -4.724 1.00 61.34 C ATOM 416 CG1 VAL A 28 20.055 -8.606 -3.505 1.00 33.22 C ATOM 417 CG2 VAL A 28 21.669 -10.129 -4.666 1.00 63.02 C ATOM 0 H VAL A 28 19.729 -11.334 -6.714 1.00 12.13 H new ATOM 0 HA VAL A 28 19.042 -11.017 -3.862 1.00 42.53 H new ATOM 0 HB VAL A 28 20.250 -8.850 -5.610 1.00 61.34 H new ATOM 0 HG11 VAL A 28 20.839 -7.852 -3.441 1.00 33.22 H new ATOM 0 HG12 VAL A 28 19.086 -8.115 -3.593 1.00 33.22 H new ATOM 0 HG13 VAL A 28 20.069 -9.222 -2.606 1.00 33.22 H new ATOM 0 HG21 VAL A 28 22.432 -9.354 -4.585 1.00 63.02 H new ATOM 0 HG22 VAL A 28 21.726 -10.786 -3.798 1.00 63.02 H new ATOM 0 HG23 VAL A 28 21.837 -10.710 -5.573 1.00 63.02 H new ATOM 427 N THR A 29 16.886 -9.941 -4.442 1.00 25.12 N ATOM 428 CA THR A 29 15.593 -9.350 -4.760 1.00 70.14 C ATOM 429 C THR A 29 15.281 -8.179 -3.836 1.00 32.24 C ATOM 430 O THR A 29 14.343 -7.419 -4.077 1.00 65.33 O ATOM 431 CB THR A 29 14.460 -10.388 -4.656 1.00 31.42 C ATOM 432 OG1 THR A 29 13.188 -9.736 -4.744 1.00 62.22 O ATOM 433 CG2 THR A 29 14.551 -11.158 -3.347 1.00 73.40 C ATOM 0 H THR A 29 16.935 -10.376 -3.521 1.00 25.12 H new ATOM 0 HA THR A 29 15.654 -8.992 -5.788 1.00 70.14 H new ATOM 0 HB THR A 29 14.565 -11.092 -5.482 1.00 31.42 H new ATOM 0 HG1 THR A 29 13.307 -8.770 -4.627 1.00 62.22 H new ATOM 0 HG21 THR A 29 13.741 -11.885 -3.296 1.00 73.40 H new ATOM 0 HG22 THR A 29 15.508 -11.677 -3.296 1.00 73.40 H new ATOM 0 HG23 THR A 29 14.469 -10.464 -2.510 1.00 73.40 H new ATOM 441 N GLN A 30 16.072 -8.040 -2.777 1.00 44.32 N ATOM 442 CA GLN A 30 15.879 -6.960 -1.816 1.00 62.04 C ATOM 443 C GLN A 30 16.638 -5.708 -2.244 1.00 62.32 C ATOM 444 O GLN A 30 16.737 -4.740 -1.489 1.00 63.33 O ATOM 445 CB GLN A 30 16.339 -7.399 -0.425 1.00 13.11 C ATOM 446 CG GLN A 30 15.583 -8.603 0.114 1.00 64.25 C ATOM 447 CD GLN A 30 16.456 -9.838 0.224 1.00 50.04 C ATOM 448 OE1 GLN A 30 17.476 -9.954 -0.457 1.00 33.32 O ATOM 449 NE2 GLN A 30 16.059 -10.769 1.084 1.00 44.34 N ATOM 0 H GLN A 30 16.852 -8.661 -2.563 1.00 44.32 H new ATOM 0 HA GLN A 30 14.815 -6.724 -1.782 1.00 62.04 H new ATOM 0 HB2 GLN A 30 17.403 -7.635 -0.461 1.00 13.11 H new ATOM 0 HB3 GLN A 30 16.220 -6.566 0.268 1.00 13.11 H new ATOM 0 HG2 GLN A 30 15.176 -8.362 1.096 1.00 64.25 H new ATOM 0 HG3 GLN A 30 14.737 -8.818 -0.538 1.00 64.25 H new ATOM 0 HE21 GLN A 30 15.207 -10.631 1.628 1.00 44.34 H new ATOM 0 HE22 GLN A 30 16.606 -11.622 1.201 1.00 44.34 H new ATOM 458 N THR A 31 17.174 -5.734 -3.461 1.00 12.43 N ATOM 459 CA THR A 31 17.925 -4.602 -3.989 1.00 23.03 C ATOM 460 C THR A 31 17.179 -3.935 -5.139 1.00 3.15 C ATOM 461 O THR A 31 17.766 -3.189 -5.922 1.00 44.43 O ATOM 462 CB THR A 31 19.320 -5.034 -4.479 1.00 4.43 C ATOM 463 OG1 THR A 31 19.242 -6.314 -5.114 1.00 71.51 O ATOM 464 CG2 THR A 31 20.305 -5.096 -3.321 1.00 3.21 C ATOM 0 H THR A 31 17.102 -6.527 -4.099 1.00 12.43 H new ATOM 0 HA THR A 31 18.039 -3.889 -3.172 1.00 23.03 H new ATOM 0 HB THR A 31 19.673 -4.294 -5.197 1.00 4.43 H new ATOM 0 HG1 THR A 31 19.818 -6.321 -5.907 1.00 71.51 H new ATOM 0 HG21 THR A 31 21.283 -5.403 -3.691 1.00 3.21 H new ATOM 0 HG22 THR A 31 20.385 -4.112 -2.858 1.00 3.21 H new ATOM 0 HG23 THR A 31 19.954 -5.817 -2.583 1.00 3.21 H new ATOM 472 N TYR A 32 15.883 -4.208 -5.233 1.00 52.45 N ATOM 473 CA TYR A 32 15.057 -3.635 -6.289 1.00 55.44 C ATOM 474 C TYR A 32 13.902 -2.829 -5.701 1.00 41.03 C ATOM 475 O TYR A 32 13.386 -3.150 -4.630 1.00 63.41 O ATOM 476 CB TYR A 32 14.512 -4.740 -7.196 1.00 41.31 C ATOM 477 CG TYR A 32 15.591 -5.573 -7.850 1.00 41.21 C ATOM 478 CD1 TYR A 32 15.499 -6.959 -7.887 1.00 51.24 C ATOM 479 CD2 TYR A 32 16.703 -4.975 -8.430 1.00 11.42 C ATOM 480 CE1 TYR A 32 16.483 -7.724 -8.483 1.00 74.42 C ATOM 481 CE2 TYR A 32 17.691 -5.732 -9.029 1.00 54.01 C ATOM 482 CZ TYR A 32 17.576 -7.106 -9.053 1.00 61.30 C ATOM 483 OH TYR A 32 18.559 -7.864 -9.648 1.00 35.42 O ATOM 0 H TYR A 32 15.382 -4.822 -4.591 1.00 52.45 H new ATOM 0 HA TYR A 32 15.681 -2.964 -6.879 1.00 55.44 H new ATOM 0 HB2 TYR A 32 13.865 -5.393 -6.610 1.00 41.31 H new ATOM 0 HB3 TYR A 32 13.892 -4.290 -7.971 1.00 41.31 H new ATOM 0 HD1 TYR A 32 14.644 -7.446 -7.442 1.00 51.24 H new ATOM 0 HD2 TYR A 32 16.797 -3.899 -8.412 1.00 11.42 H new ATOM 0 HE1 TYR A 32 16.397 -8.800 -8.502 1.00 74.42 H new ATOM 0 HE2 TYR A 32 18.548 -5.251 -9.476 1.00 54.01 H new ATOM 0 HH TYR A 32 19.258 -7.275 -10.001 1.00 35.42 H new ATOM 493 N THR A 33 13.500 -1.779 -6.411 1.00 1.24 N ATOM 494 CA THR A 33 12.408 -0.926 -5.961 1.00 15.33 C ATOM 495 C THR A 33 11.829 -0.118 -7.117 1.00 34.23 C ATOM 496 O THR A 33 12.477 0.064 -8.146 1.00 65.40 O ATOM 497 CB THR A 33 12.869 0.042 -4.854 1.00 61.52 C ATOM 498 OG1 THR A 33 13.728 -0.641 -3.934 1.00 45.23 O ATOM 499 CG2 THR A 33 11.676 0.619 -4.108 1.00 52.42 C ATOM 0 H THR A 33 13.915 -1.500 -7.300 1.00 1.24 H new ATOM 0 HA THR A 33 11.638 -1.585 -5.560 1.00 15.33 H new ATOM 0 HB THR A 33 13.415 0.861 -5.322 1.00 61.52 H new ATOM 0 HG1 THR A 33 13.429 -1.569 -3.835 1.00 45.23 H new ATOM 0 HG21 THR A 33 12.027 1.299 -3.332 1.00 52.42 H new ATOM 0 HG22 THR A 33 11.039 1.162 -4.806 1.00 52.42 H new ATOM 0 HG23 THR A 33 11.106 -0.190 -3.651 1.00 52.42 H new ATOM 507 N GLY A 34 10.603 0.365 -6.940 1.00 13.54 N ATOM 508 CA GLY A 34 9.957 1.149 -7.977 1.00 23.12 C ATOM 509 C GLY A 34 8.616 1.701 -7.536 1.00 42.23 C ATOM 510 O GLY A 34 8.205 2.775 -7.976 1.00 74.30 O ATOM 0 H GLY A 34 10.045 0.227 -6.097 1.00 13.54 H new ATOM 0 HA2 GLY A 34 10.609 1.974 -8.264 1.00 23.12 H new ATOM 0 HA3 GLY A 34 9.818 0.529 -8.863 1.00 23.12 H new ATOM 514 N SER A 35 7.932 0.965 -6.666 1.00 53.25 N ATOM 515 CA SER A 35 6.626 1.385 -6.171 1.00 22.05 C ATOM 516 C SER A 35 6.732 1.918 -4.745 1.00 24.21 C ATOM 517 O SER A 35 7.312 1.274 -3.872 1.00 32.34 O ATOM 518 CB SER A 35 5.639 0.217 -6.218 1.00 42.04 C ATOM 519 OG SER A 35 6.203 -0.900 -6.883 1.00 61.22 O ATOM 0 H SER A 35 8.260 0.076 -6.289 1.00 53.25 H new ATOM 0 HA SER A 35 6.261 2.186 -6.814 1.00 22.05 H new ATOM 0 HB2 SER A 35 5.355 -0.065 -5.204 1.00 42.04 H new ATOM 0 HB3 SER A 35 4.728 0.527 -6.730 1.00 42.04 H new ATOM 0 HG SER A 35 5.656 -1.127 -7.664 1.00 61.22 H new ATOM 525 N ASN A 36 6.168 3.100 -4.518 1.00 60.40 N ATOM 526 CA ASN A 36 6.199 3.721 -3.199 1.00 21.21 C ATOM 527 C ASN A 36 7.627 3.798 -2.667 1.00 61.05 C ATOM 528 O ASN A 36 7.852 3.780 -1.458 1.00 65.32 O ATOM 529 CB ASN A 36 5.321 2.936 -2.222 1.00 1.20 C ATOM 530 CG ASN A 36 3.857 3.319 -2.324 1.00 43.14 C ATOM 531 OD1 ASN A 36 3.210 3.075 -3.343 1.00 21.33 O ATOM 532 ND2 ASN A 36 3.329 3.923 -1.267 1.00 14.33 N ATOM 0 H ASN A 36 5.684 3.647 -5.230 1.00 60.40 H new ATOM 0 HA ASN A 36 5.810 4.735 -3.293 1.00 21.21 H new ATOM 0 HB2 ASN A 36 5.429 1.869 -2.417 1.00 1.20 H new ATOM 0 HB3 ASN A 36 5.669 3.111 -1.204 1.00 1.20 H new ATOM 0 HD21 ASN A 36 2.349 4.205 -1.278 1.00 14.33 H new ATOM 0 HD22 ASN A 36 3.903 4.105 -0.444 1.00 14.33 H new ATOM 539 N GLY A 37 8.589 3.885 -3.581 1.00 62.13 N ATOM 540 CA GLY A 37 9.983 3.964 -3.186 1.00 2.14 C ATOM 541 C GLY A 37 10.874 4.477 -4.300 1.00 31.03 C ATOM 542 O GLY A 37 11.582 5.468 -4.131 1.00 5.40 O ATOM 0 H GLY A 37 8.427 3.902 -4.588 1.00 62.13 H new ATOM 0 HA2 GLY A 37 10.075 4.620 -2.320 1.00 2.14 H new ATOM 0 HA3 GLY A 37 10.326 2.977 -2.876 1.00 2.14 H new ATOM 546 N GLY A 38 10.839 3.799 -5.443 1.00 25.52 N ATOM 547 CA GLY A 38 11.656 4.205 -6.572 1.00 13.33 C ATOM 548 C GLY A 38 13.110 4.407 -6.193 1.00 54.01 C ATOM 549 O GLY A 38 13.540 5.530 -5.934 1.00 44.33 O ATOM 0 H GLY A 38 10.260 2.976 -5.607 1.00 25.52 H new ATOM 0 HA2 GLY A 38 11.589 3.450 -7.355 1.00 13.33 H new ATOM 0 HA3 GLY A 38 11.260 5.131 -6.988 1.00 13.33 H new ATOM 553 N ALA A 39 13.867 3.316 -6.159 1.00 24.20 N ATOM 554 CA ALA A 39 15.281 3.378 -5.809 1.00 41.25 C ATOM 555 C ALA A 39 15.917 1.993 -5.846 1.00 22.23 C ATOM 556 O ALA A 39 16.427 1.507 -4.836 1.00 31.31 O ATOM 557 CB ALA A 39 15.458 4.006 -4.435 1.00 13.40 C ATOM 0 H ALA A 39 13.525 2.378 -6.369 1.00 24.20 H new ATOM 0 HA ALA A 39 15.786 4.000 -6.548 1.00 41.25 H new ATOM 0 HB1 ALA A 39 16.519 4.046 -4.187 1.00 13.40 H new ATOM 0 HB2 ALA A 39 15.049 5.016 -4.441 1.00 13.40 H new ATOM 0 HB3 ALA A 39 14.934 3.407 -3.691 1.00 13.40 H new ATOM 563 N ASP A 40 15.883 1.362 -7.014 1.00 63.22 N ATOM 564 CA ASP A 40 16.457 0.032 -7.182 1.00 21.31 C ATOM 565 C ASP A 40 17.978 0.077 -7.066 1.00 54.22 C ATOM 566 O ASP A 40 18.660 0.629 -7.930 1.00 44.02 O ATOM 567 CB ASP A 40 16.054 -0.554 -8.536 1.00 34.11 C ATOM 568 CG ASP A 40 16.538 0.289 -9.699 1.00 52.10 C ATOM 569 OD1 ASP A 40 17.474 -0.149 -10.401 1.00 35.01 O ATOM 570 OD2 ASP A 40 15.981 1.387 -9.908 1.00 75.30 O ATOM 0 H ASP A 40 15.464 1.750 -7.859 1.00 63.22 H new ATOM 0 HA ASP A 40 16.069 -0.606 -6.388 1.00 21.31 H new ATOM 0 HB2 ASP A 40 16.460 -1.562 -8.628 1.00 34.11 H new ATOM 0 HB3 ASP A 40 14.969 -0.642 -8.582 1.00 34.11 H new ATOM 575 N LEU A 41 18.502 -0.505 -5.993 1.00 53.04 N ATOM 576 CA LEU A 41 19.942 -0.530 -5.763 1.00 61.35 C ATOM 577 C LEU A 41 20.286 -1.398 -4.557 1.00 13.32 C ATOM 578 O LEU A 41 19.454 -2.167 -4.077 1.00 23.54 O ATOM 579 CB LEU A 41 20.470 0.890 -5.552 1.00 33.11 C ATOM 580 CG LEU A 41 21.809 1.214 -6.215 1.00 20.05 C ATOM 581 CD1 LEU A 41 21.593 1.751 -7.621 1.00 32.50 C ATOM 582 CD2 LEU A 41 22.591 2.213 -5.375 1.00 5.31 C ATOM 0 H LEU A 41 17.951 -0.966 -5.269 1.00 53.04 H new ATOM 0 HA LEU A 41 20.418 -0.960 -6.644 1.00 61.35 H new ATOM 0 HB2 LEU A 41 19.724 1.592 -5.924 1.00 33.11 H new ATOM 0 HB3 LEU A 41 20.566 1.065 -4.480 1.00 33.11 H new ATOM 0 HG LEU A 41 22.390 0.294 -6.285 1.00 20.05 H new ATOM 0 HD11 LEU A 41 22.557 1.976 -8.077 1.00 32.50 H new ATOM 0 HD12 LEU A 41 21.074 1.003 -8.220 1.00 32.50 H new ATOM 0 HD13 LEU A 41 20.993 2.660 -7.575 1.00 32.50 H new ATOM 0 HD21 LEU A 41 23.541 2.432 -5.862 1.00 5.31 H new ATOM 0 HD22 LEU A 41 22.015 3.133 -5.273 1.00 5.31 H new ATOM 0 HD23 LEU A 41 22.778 1.791 -4.388 1.00 5.31 H new ATOM 594 N MET A 42 21.516 -1.266 -4.071 1.00 15.34 N ATOM 595 CA MET A 42 21.968 -2.035 -2.917 1.00 73.24 C ATOM 596 C MET A 42 22.206 -1.126 -1.716 1.00 43.54 C ATOM 597 O MET A 42 23.058 -0.239 -1.757 1.00 0.22 O ATOM 598 CB MET A 42 23.250 -2.798 -3.257 1.00 52.20 C ATOM 599 CG MET A 42 23.227 -3.442 -4.634 1.00 2.32 C ATOM 600 SD MET A 42 24.019 -5.061 -4.656 1.00 65.22 S ATOM 601 CE MET A 42 23.042 -5.899 -5.901 1.00 72.22 C ATOM 0 H MET A 42 22.217 -0.634 -4.458 1.00 15.34 H new ATOM 0 HA MET A 42 21.186 -2.749 -2.659 1.00 73.24 H new ATOM 0 HB2 MET A 42 24.096 -2.114 -3.199 1.00 52.20 H new ATOM 0 HB3 MET A 42 23.413 -3.571 -2.506 1.00 52.20 H new ATOM 0 HG2 MET A 42 22.194 -3.543 -4.967 1.00 2.32 H new ATOM 0 HG3 MET A 42 23.729 -2.787 -5.346 1.00 2.32 H new ATOM 0 HE1 MET A 42 23.041 -6.971 -5.702 1.00 72.22 H new ATOM 0 HE2 MET A 42 22.019 -5.524 -5.874 1.00 72.22 H new ATOM 0 HE3 MET A 42 23.471 -5.713 -6.886 1.00 72.22 H new ATOM 611 N GLY A 43 21.448 -1.352 -0.648 1.00 54.30 N ATOM 612 CA GLY A 43 21.592 -0.544 0.549 1.00 41.22 C ATOM 613 C GLY A 43 20.912 -1.165 1.753 1.00 41.41 C ATOM 614 O GLY A 43 21.562 -1.614 2.697 1.00 65.13 O ATOM 0 H GLY A 43 20.736 -2.080 -0.590 1.00 54.30 H new ATOM 0 HA2 GLY A 43 22.651 -0.406 0.765 1.00 41.22 H new ATOM 0 HA3 GLY A 43 21.172 0.445 0.368 1.00 41.22 H new ATOM 618 N PRO A 44 19.571 -1.194 1.731 1.00 43.53 N ATOM 619 CA PRO A 44 18.774 -1.760 2.822 1.00 35.31 C ATOM 620 C PRO A 44 18.902 -3.277 2.907 1.00 25.32 C ATOM 621 O PRO A 44 18.708 -3.868 3.969 1.00 0.53 O ATOM 622 CB PRO A 44 17.341 -1.365 2.456 1.00 34.13 C ATOM 623 CG PRO A 44 17.361 -1.195 0.976 1.00 13.45 C ATOM 624 CD PRO A 44 18.731 -0.676 0.638 1.00 11.30 C ATOM 0 HA PRO A 44 19.097 -1.392 3.796 1.00 35.31 H new ATOM 0 HB2 PRO A 44 16.629 -2.134 2.757 1.00 34.13 H new ATOM 0 HB3 PRO A 44 17.044 -0.443 2.956 1.00 34.13 H new ATOM 0 HG2 PRO A 44 17.167 -2.142 0.472 1.00 13.45 H new ATOM 0 HG3 PRO A 44 16.589 -0.497 0.653 1.00 13.45 H new ATOM 0 HD2 PRO A 44 19.069 -1.036 -0.334 1.00 11.30 H new ATOM 0 HD3 PRO A 44 18.750 0.413 0.598 1.00 11.30 H new ATOM 632 N ALA A 45 19.232 -3.903 1.782 1.00 40.43 N ATOM 633 CA ALA A 45 19.389 -5.351 1.730 1.00 4.23 C ATOM 634 C ALA A 45 20.726 -5.779 2.327 1.00 35.34 C ATOM 635 O ALA A 45 20.786 -6.702 3.140 1.00 23.02 O ATOM 636 CB ALA A 45 19.267 -5.844 0.296 1.00 24.32 C ATOM 0 H ALA A 45 19.396 -3.429 0.894 1.00 40.43 H new ATOM 0 HA ALA A 45 18.594 -5.800 2.325 1.00 4.23 H new ATOM 0 HB1 ALA A 45 19.386 -6.927 0.272 1.00 24.32 H new ATOM 0 HB2 ALA A 45 18.286 -5.578 -0.098 1.00 24.32 H new ATOM 0 HB3 ALA A 45 20.041 -5.380 -0.315 1.00 24.32 H new ATOM 642 N PHE A 46 21.795 -5.104 1.919 1.00 73.24 N ATOM 643 CA PHE A 46 23.131 -5.417 2.412 1.00 11.42 C ATOM 644 C PHE A 46 23.280 -5.008 3.875 1.00 52.43 C ATOM 645 O PHE A 46 24.083 -5.579 4.612 1.00 74.45 O ATOM 646 CB PHE A 46 24.189 -4.710 1.563 1.00 65.00 C ATOM 647 CG PHE A 46 25.585 -5.208 1.808 1.00 21.30 C ATOM 648 CD1 PHE A 46 25.899 -6.546 1.629 1.00 51.25 C ATOM 649 CD2 PHE A 46 26.583 -4.339 2.218 1.00 20.15 C ATOM 650 CE1 PHE A 46 27.182 -7.008 1.853 1.00 42.42 C ATOM 651 CE2 PHE A 46 27.868 -4.795 2.444 1.00 41.02 C ATOM 652 CZ PHE A 46 28.168 -6.131 2.262 1.00 71.00 C ATOM 0 H PHE A 46 21.762 -4.336 1.248 1.00 73.24 H new ATOM 0 HA PHE A 46 23.276 -6.495 2.337 1.00 11.42 H new ATOM 0 HB2 PHE A 46 23.945 -4.841 0.509 1.00 65.00 H new ATOM 0 HB3 PHE A 46 24.152 -3.640 1.768 1.00 65.00 H new ATOM 0 HD1 PHE A 46 25.132 -7.236 1.311 1.00 51.25 H new ATOM 0 HD2 PHE A 46 26.354 -3.293 2.363 1.00 20.15 H new ATOM 0 HE1 PHE A 46 27.414 -8.053 1.709 1.00 42.42 H new ATOM 0 HE2 PHE A 46 28.637 -4.107 2.763 1.00 41.02 H new ATOM 0 HZ PHE A 46 29.171 -6.489 2.439 1.00 71.00 H new ATOM 662 N ALA A 47 22.500 -4.013 4.287 1.00 23.42 N ATOM 663 CA ALA A 47 22.544 -3.528 5.661 1.00 73.11 C ATOM 664 C ALA A 47 21.875 -4.514 6.613 1.00 54.13 C ATOM 665 O ALA A 47 22.303 -4.677 7.755 1.00 65.14 O ATOM 666 CB ALA A 47 21.880 -2.163 5.760 1.00 54.34 C ATOM 0 H ALA A 47 21.831 -3.528 3.689 1.00 23.42 H new ATOM 0 HA ALA A 47 23.590 -3.433 5.954 1.00 73.11 H new ATOM 0 HB1 ALA A 47 21.920 -1.813 6.791 1.00 54.34 H new ATOM 0 HB2 ALA A 47 22.404 -1.456 5.116 1.00 54.34 H new ATOM 0 HB3 ALA A 47 20.840 -2.241 5.443 1.00 54.34 H new ATOM 672 N ALA A 48 20.821 -5.168 6.135 1.00 21.21 N ATOM 673 CA ALA A 48 20.094 -6.139 6.944 1.00 52.15 C ATOM 674 C ALA A 48 20.819 -7.480 6.976 1.00 4.33 C ATOM 675 O ALA A 48 20.625 -8.280 7.890 1.00 13.22 O ATOM 676 CB ALA A 48 18.679 -6.315 6.411 1.00 3.13 C ATOM 0 H ALA A 48 20.452 -5.043 5.192 1.00 21.21 H new ATOM 0 HA ALA A 48 20.043 -5.759 7.964 1.00 52.15 H new ATOM 0 HB1 ALA A 48 18.147 -7.043 7.024 1.00 3.13 H new ATOM 0 HB2 ALA A 48 18.156 -5.360 6.446 1.00 3.13 H new ATOM 0 HB3 ALA A 48 18.720 -6.669 5.381 1.00 3.13 H new ATOM 682 N GLY A 49 21.657 -7.719 5.972 1.00 60.04 N ATOM 683 CA GLY A 49 22.398 -8.965 5.905 1.00 43.24 C ATOM 684 C GLY A 49 21.842 -9.915 4.862 1.00 4.24 C ATOM 685 O GLY A 49 22.158 -11.105 4.865 1.00 23.42 O ATOM 0 H GLY A 49 21.836 -7.072 5.204 1.00 60.04 H new ATOM 0 HA2 GLY A 49 23.442 -8.751 5.677 1.00 43.24 H new ATOM 0 HA3 GLY A 49 22.377 -9.449 6.881 1.00 43.24 H new ATOM 689 N LEU A 50 21.011 -9.390 3.969 1.00 10.22 N ATOM 690 CA LEU A 50 20.408 -10.200 2.917 1.00 52.14 C ATOM 691 C LEU A 50 21.356 -10.346 1.731 1.00 23.10 C ATOM 692 O LEU A 50 21.626 -9.381 1.016 1.00 55.20 O ATOM 693 CB LEU A 50 19.090 -9.574 2.456 1.00 42.01 C ATOM 694 CG LEU A 50 18.285 -8.840 3.529 1.00 74.14 C ATOM 695 CD1 LEU A 50 17.061 -8.176 2.916 1.00 31.43 C ATOM 696 CD2 LEU A 50 17.875 -9.799 4.637 1.00 2.32 C ATOM 0 H LEU A 50 20.739 -8.407 3.952 1.00 10.22 H new ATOM 0 HA LEU A 50 20.210 -11.191 3.325 1.00 52.14 H new ATOM 0 HB2 LEU A 50 19.306 -8.873 1.649 1.00 42.01 H new ATOM 0 HB3 LEU A 50 18.464 -10.361 2.036 1.00 42.01 H new ATOM 0 HG LEU A 50 18.916 -8.064 3.963 1.00 74.14 H new ATOM 0 HD11 LEU A 50 16.500 -7.658 3.694 1.00 31.43 H new ATOM 0 HD12 LEU A 50 17.377 -7.459 2.158 1.00 31.43 H new ATOM 0 HD13 LEU A 50 16.428 -8.934 2.456 1.00 31.43 H new ATOM 0 HD21 LEU A 50 17.303 -9.260 5.392 1.00 2.32 H new ATOM 0 HD22 LEU A 50 17.262 -10.597 4.219 1.00 2.32 H new ATOM 0 HD23 LEU A 50 18.766 -10.228 5.095 1.00 2.32 H new ATOM 708 N ARG A 51 21.858 -11.560 1.528 1.00 41.24 N ATOM 709 CA ARG A 51 22.776 -11.833 0.428 1.00 53.30 C ATOM 710 C ARG A 51 22.520 -13.216 -0.163 1.00 21.22 C ATOM 711 O ARG A 51 21.889 -14.065 0.467 1.00 14.20 O ATOM 712 CB ARG A 51 24.225 -11.731 0.908 1.00 52.04 C ATOM 713 CG ARG A 51 25.071 -10.769 0.090 1.00 71.04 C ATOM 714 CD ARG A 51 26.499 -11.271 -0.059 1.00 13.13 C ATOM 715 NE ARG A 51 27.072 -10.915 -1.354 1.00 2.22 N ATOM 716 CZ ARG A 51 28.150 -11.499 -1.866 1.00 11.32 C ATOM 717 NH1 ARG A 51 28.767 -12.462 -1.196 1.00 64.01 N ATOM 718 NH2 ARG A 51 28.612 -11.119 -3.051 1.00 33.54 N ATOM 0 H ARG A 51 21.645 -12.370 2.110 1.00 41.24 H new ATOM 0 HA ARG A 51 22.605 -11.088 -0.349 1.00 53.30 H new ATOM 0 HB2 ARG A 51 24.232 -11.412 1.950 1.00 52.04 H new ATOM 0 HB3 ARG A 51 24.680 -12.721 0.875 1.00 52.04 H new ATOM 0 HG2 ARG A 51 24.625 -10.639 -0.896 1.00 71.04 H new ATOM 0 HG3 ARG A 51 25.076 -9.790 0.569 1.00 71.04 H new ATOM 0 HD2 ARG A 51 27.115 -10.853 0.737 1.00 13.13 H new ATOM 0 HD3 ARG A 51 26.517 -12.354 0.060 1.00 13.13 H new ATOM 0 HE ARG A 51 26.620 -10.178 -1.895 1.00 2.22 H new ATOM 0 HH11 ARG A 51 28.414 -12.756 -0.285 1.00 64.01 H new ATOM 0 HH12 ARG A 51 29.594 -12.909 -1.591 1.00 64.01 H new ATOM 0 HH21 ARG A 51 28.139 -10.378 -3.569 1.00 33.54 H new ATOM 0 HH22 ARG A 51 29.440 -11.568 -3.444 1.00 33.54 H new ATOM 732 N VAL A 52 23.015 -13.436 -1.377 1.00 31.42 N ATOM 733 CA VAL A 52 22.841 -14.716 -2.053 1.00 31.53 C ATOM 734 C VAL A 52 23.368 -15.865 -1.199 1.00 42.44 C ATOM 735 O VAL A 52 24.554 -15.917 -0.874 1.00 55.31 O ATOM 736 CB VAL A 52 23.558 -14.733 -3.416 1.00 35.31 C ATOM 737 CG1 VAL A 52 22.862 -13.801 -4.396 1.00 61.45 C ATOM 738 CG2 VAL A 52 25.021 -14.353 -3.253 1.00 3.24 C ATOM 0 H VAL A 52 23.540 -12.744 -1.912 1.00 31.42 H new ATOM 0 HA VAL A 52 21.771 -14.847 -2.212 1.00 31.53 H new ATOM 0 HB VAL A 52 23.513 -15.745 -3.819 1.00 35.31 H new ATOM 0 HG11 VAL A 52 23.382 -13.826 -5.354 1.00 61.45 H new ATOM 0 HG12 VAL A 52 21.830 -14.124 -4.535 1.00 61.45 H new ATOM 0 HG13 VAL A 52 22.874 -12.785 -4.003 1.00 61.45 H new ATOM 0 HG21 VAL A 52 25.512 -14.370 -4.226 1.00 3.24 H new ATOM 0 HG22 VAL A 52 25.092 -13.352 -2.829 1.00 3.24 H new ATOM 0 HG23 VAL A 52 25.510 -15.064 -2.587 1.00 3.24 H new ATOM 748 N GLY A 53 22.478 -16.785 -0.840 1.00 4.11 N ATOM 749 CA GLY A 53 22.873 -17.921 -0.028 1.00 0.15 C ATOM 750 C GLY A 53 22.086 -18.011 1.265 1.00 74.14 C ATOM 751 O GLY A 53 22.097 -19.043 1.935 1.00 34.43 O ATOM 0 H GLY A 53 21.491 -16.764 -1.097 1.00 4.11 H new ATOM 0 HA2 GLY A 53 22.733 -18.838 -0.600 1.00 0.15 H new ATOM 0 HA3 GLY A 53 23.936 -17.848 0.202 1.00 0.15 H new ATOM 755 N ASP A 54 21.402 -16.928 1.616 1.00 51.44 N ATOM 756 CA ASP A 54 20.606 -16.888 2.837 1.00 74.33 C ATOM 757 C ASP A 54 19.158 -17.277 2.554 1.00 32.22 C ATOM 758 O ASP A 54 18.612 -16.950 1.501 1.00 64.44 O ATOM 759 CB ASP A 54 20.659 -15.493 3.461 1.00 24.23 C ATOM 760 CG ASP A 54 22.064 -14.924 3.487 1.00 24.20 C ATOM 761 OD1 ASP A 54 22.207 -13.689 3.369 1.00 11.11 O ATOM 762 OD2 ASP A 54 23.021 -15.714 3.626 1.00 45.11 O ATOM 0 H ASP A 54 21.383 -16.065 1.072 1.00 51.44 H new ATOM 0 HA ASP A 54 21.027 -17.608 3.539 1.00 74.33 H new ATOM 0 HB2 ASP A 54 20.009 -14.822 2.900 1.00 24.23 H new ATOM 0 HB3 ASP A 54 20.269 -15.538 4.478 1.00 24.23 H new ATOM 767 N GLN A 55 18.543 -17.977 3.502 1.00 73.21 N ATOM 768 CA GLN A 55 17.159 -18.412 3.353 1.00 11.13 C ATOM 769 C GLN A 55 16.201 -17.405 3.982 1.00 45.22 C ATOM 770 O GLN A 55 16.485 -16.839 5.039 1.00 74.03 O ATOM 771 CB GLN A 55 16.963 -19.788 3.993 1.00 51.43 C ATOM 772 CG GLN A 55 17.686 -20.907 3.261 1.00 31.03 C ATOM 773 CD GLN A 55 17.917 -22.122 4.137 1.00 24.44 C ATOM 774 OE1 GLN A 55 18.204 -21.998 5.328 1.00 12.05 O ATOM 775 NE2 GLN A 55 17.794 -23.307 3.551 1.00 61.41 N ATOM 0 H GLN A 55 18.981 -18.255 4.380 1.00 73.21 H new ATOM 0 HA GLN A 55 16.939 -18.479 2.288 1.00 11.13 H new ATOM 0 HB2 GLN A 55 17.314 -19.753 5.024 1.00 51.43 H new ATOM 0 HB3 GLN A 55 15.898 -20.016 4.026 1.00 51.43 H new ATOM 0 HG2 GLN A 55 17.105 -21.199 2.387 1.00 31.03 H new ATOM 0 HG3 GLN A 55 18.645 -20.538 2.897 1.00 31.03 H new ATOM 0 HE21 GLN A 55 17.555 -23.364 2.561 1.00 61.41 H new ATOM 0 HE22 GLN A 55 17.939 -24.160 4.091 1.00 61.41 H new ATOM 784 N LEU A 56 15.068 -17.185 3.326 1.00 54.15 N ATOM 785 CA LEU A 56 14.067 -16.245 3.820 1.00 63.11 C ATOM 786 C LEU A 56 12.672 -16.860 3.774 1.00 24.51 C ATOM 787 O LEU A 56 12.163 -17.191 2.703 1.00 11.22 O ATOM 788 CB LEU A 56 14.097 -14.958 2.994 1.00 14.44 C ATOM 789 CG LEU A 56 14.380 -15.124 1.501 1.00 24.11 C ATOM 790 CD1 LEU A 56 13.692 -14.029 0.702 1.00 52.15 C ATOM 791 CD2 LEU A 56 15.879 -15.116 1.239 1.00 24.10 C ATOM 0 H LEU A 56 14.819 -17.645 2.450 1.00 54.15 H new ATOM 0 HA LEU A 56 14.306 -16.010 4.857 1.00 63.11 H new ATOM 0 HB2 LEU A 56 13.137 -14.455 3.107 1.00 14.44 H new ATOM 0 HB3 LEU A 56 14.855 -14.297 3.415 1.00 14.44 H new ATOM 0 HG LEU A 56 13.980 -16.086 1.180 1.00 24.11 H new ATOM 0 HD11 LEU A 56 13.905 -14.164 -0.358 1.00 52.15 H new ATOM 0 HD12 LEU A 56 12.616 -14.081 0.865 1.00 52.15 H new ATOM 0 HD13 LEU A 56 14.061 -13.056 1.025 1.00 52.15 H new ATOM 0 HD21 LEU A 56 16.062 -15.235 0.171 1.00 24.10 H new ATOM 0 HD22 LEU A 56 16.302 -14.170 1.576 1.00 24.10 H new ATOM 0 HD23 LEU A 56 16.348 -15.937 1.781 1.00 24.10 H new ATOM 803 N VAL A 57 12.058 -17.010 4.944 1.00 44.24 N ATOM 804 CA VAL A 57 10.721 -17.582 5.037 1.00 33.22 C ATOM 805 C VAL A 57 9.744 -16.596 5.666 1.00 14.54 C ATOM 806 O VAL A 57 8.580 -16.522 5.272 1.00 52.43 O ATOM 807 CB VAL A 57 10.723 -18.883 5.863 1.00 41.44 C ATOM 808 CG1 VAL A 57 11.267 -18.627 7.260 1.00 61.20 C ATOM 809 CG2 VAL A 57 9.323 -19.475 5.926 1.00 24.15 C ATOM 0 H VAL A 57 12.466 -16.743 5.840 1.00 44.24 H new ATOM 0 HA VAL A 57 10.402 -17.807 4.019 1.00 33.22 H new ATOM 0 HB VAL A 57 11.376 -19.605 5.372 1.00 41.44 H new ATOM 0 HG11 VAL A 57 11.261 -19.557 7.829 1.00 61.20 H new ATOM 0 HG12 VAL A 57 12.288 -18.251 7.190 1.00 61.20 H new ATOM 0 HG13 VAL A 57 10.643 -17.889 7.764 1.00 61.20 H new ATOM 0 HG21 VAL A 57 9.342 -20.393 6.513 1.00 24.15 H new ATOM 0 HG22 VAL A 57 8.646 -18.760 6.393 1.00 24.15 H new ATOM 0 HG23 VAL A 57 8.976 -19.697 4.917 1.00 24.15 H new ATOM 819 N ARG A 58 10.225 -15.838 6.647 1.00 72.50 N ATOM 820 CA ARG A 58 9.393 -14.856 7.332 1.00 45.01 C ATOM 821 C ARG A 58 8.091 -15.488 7.815 1.00 42.22 C ATOM 822 O ARG A 58 7.060 -14.820 7.902 1.00 22.44 O ATOM 823 CB ARG A 58 9.088 -13.679 6.404 1.00 42.13 C ATOM 824 CG ARG A 58 9.159 -12.326 7.092 1.00 3.23 C ATOM 825 CD ARG A 58 7.783 -11.851 7.531 1.00 51.12 C ATOM 826 NE ARG A 58 6.864 -11.719 6.403 1.00 23.30 N ATOM 827 CZ ARG A 58 5.547 -11.611 6.537 1.00 42.42 C ATOM 828 NH1 ARG A 58 4.997 -11.617 7.743 1.00 23.22 N ATOM 829 NH2 ARG A 58 4.777 -11.494 5.462 1.00 24.43 N ATOM 0 H ARG A 58 11.186 -15.885 6.985 1.00 72.50 H new ATOM 0 HA ARG A 58 9.943 -14.493 8.200 1.00 45.01 H new ATOM 0 HB2 ARG A 58 9.792 -13.691 5.572 1.00 42.13 H new ATOM 0 HB3 ARG A 58 8.092 -13.810 5.981 1.00 42.13 H new ATOM 0 HG2 ARG A 58 9.816 -12.392 7.959 1.00 3.23 H new ATOM 0 HG3 ARG A 58 9.598 -11.594 6.414 1.00 3.23 H new ATOM 0 HD2 ARG A 58 7.370 -12.554 8.254 1.00 51.12 H new ATOM 0 HD3 ARG A 58 7.876 -10.890 8.038 1.00 51.12 H new ATOM 0 HE ARG A 58 7.255 -11.709 5.461 1.00 23.30 H new ATOM 0 HH11 ARG A 58 5.585 -11.705 8.571 1.00 23.22 H new ATOM 0 HH12 ARG A 58 3.985 -11.534 7.843 1.00 23.22 H new ATOM 0 HH21 ARG A 58 5.197 -11.487 4.532 1.00 24.43 H new ATOM 0 HH22 ARG A 58 3.766 -11.411 5.566 1.00 24.43 H new ATOM 843 N PHE A 59 8.146 -16.778 8.127 1.00 73.44 N ATOM 844 CA PHE A 59 6.971 -17.501 8.599 1.00 34.12 C ATOM 845 C PHE A 59 7.348 -18.500 9.689 1.00 2.01 C ATOM 846 O PHE A 59 8.445 -19.058 9.681 1.00 31.13 O ATOM 847 CB PHE A 59 6.292 -18.229 7.437 1.00 20.41 C ATOM 848 CG PHE A 59 5.622 -17.306 6.460 1.00 12.14 C ATOM 849 CD1 PHE A 59 5.836 -17.442 5.098 1.00 24.44 C ATOM 850 CD2 PHE A 59 4.778 -16.301 6.904 1.00 13.24 C ATOM 851 CE1 PHE A 59 5.221 -16.595 4.197 1.00 50.52 C ATOM 852 CE2 PHE A 59 4.159 -15.450 6.008 1.00 62.34 C ATOM 853 CZ PHE A 59 4.382 -15.597 4.652 1.00 0.53 C ATOM 0 H PHE A 59 8.992 -17.345 8.062 1.00 73.44 H new ATOM 0 HA PHE A 59 6.275 -16.776 9.020 1.00 34.12 H new ATOM 0 HB2 PHE A 59 7.035 -18.826 6.909 1.00 20.41 H new ATOM 0 HB3 PHE A 59 5.551 -18.922 7.836 1.00 20.41 H new ATOM 0 HD1 PHE A 59 6.492 -18.220 4.736 1.00 24.44 H new ATOM 0 HD2 PHE A 59 4.602 -16.181 7.963 1.00 13.24 H new ATOM 0 HE1 PHE A 59 5.396 -16.713 3.138 1.00 50.52 H new ATOM 0 HE2 PHE A 59 3.502 -14.671 6.367 1.00 62.34 H new ATOM 0 HZ PHE A 59 3.901 -14.933 3.949 1.00 0.53 H new ATOM 863 N ALA A 60 6.431 -18.719 10.626 1.00 63.32 N ATOM 864 CA ALA A 60 6.667 -19.651 11.722 1.00 75.23 C ATOM 865 C ALA A 60 6.562 -21.096 11.246 1.00 70.14 C ATOM 866 O ALA A 60 5.467 -21.606 11.013 1.00 14.33 O ATOM 867 CB ALA A 60 5.683 -19.394 12.854 1.00 52.14 C ATOM 0 H ALA A 60 5.518 -18.264 10.648 1.00 63.32 H new ATOM 0 HA ALA A 60 7.680 -19.490 12.091 1.00 75.23 H new ATOM 0 HB1 ALA A 60 5.871 -20.097 13.666 1.00 52.14 H new ATOM 0 HB2 ALA A 60 5.808 -18.375 13.220 1.00 52.14 H new ATOM 0 HB3 ALA A 60 4.665 -19.526 12.488 1.00 52.14 H new ATOM 873 N GLY A 61 7.710 -21.752 11.102 1.00 51.45 N ATOM 874 CA GLY A 61 7.725 -23.132 10.653 1.00 53.42 C ATOM 875 C GLY A 61 8.773 -23.383 9.587 1.00 74.41 C ATOM 876 O GLY A 61 8.978 -24.522 9.165 1.00 51.31 O ATOM 0 H GLY A 61 8.630 -21.352 11.288 1.00 51.45 H new ATOM 0 HA2 GLY A 61 7.913 -23.786 11.504 1.00 53.42 H new ATOM 0 HA3 GLY A 61 6.742 -23.394 10.261 1.00 53.42 H new ATOM 880 N TYR A 62 9.436 -22.319 9.149 1.00 22.31 N ATOM 881 CA TYR A 62 10.466 -22.430 8.122 1.00 13.45 C ATOM 882 C TYR A 62 9.896 -23.033 6.842 1.00 0.12 C ATOM 883 O TYR A 62 10.551 -23.832 6.172 1.00 21.13 O ATOM 884 CB TYR A 62 11.630 -23.283 8.628 1.00 70.53 C ATOM 885 CG TYR A 62 11.967 -23.048 10.083 1.00 74.21 C ATOM 886 CD1 TYR A 62 12.127 -24.114 10.960 1.00 14.11 C ATOM 887 CD2 TYR A 62 12.124 -21.761 10.581 1.00 54.21 C ATOM 888 CE1 TYR A 62 12.434 -23.904 12.291 1.00 55.04 C ATOM 889 CE2 TYR A 62 12.432 -21.541 11.909 1.00 31.44 C ATOM 890 CZ TYR A 62 12.586 -22.616 12.760 1.00 34.03 C ATOM 891 OH TYR A 62 12.891 -22.402 14.085 1.00 43.32 O ATOM 0 H TYR A 62 9.279 -21.370 9.489 1.00 22.31 H new ATOM 0 HA TYR A 62 10.830 -21.427 7.898 1.00 13.45 H new ATOM 0 HB2 TYR A 62 11.386 -24.336 8.486 1.00 70.53 H new ATOM 0 HB3 TYR A 62 12.512 -23.075 8.022 1.00 70.53 H new ATOM 0 HD1 TYR A 62 12.009 -25.124 10.595 1.00 14.11 H new ATOM 0 HD2 TYR A 62 12.003 -20.917 9.918 1.00 54.21 H new ATOM 0 HE1 TYR A 62 12.554 -24.743 12.960 1.00 55.04 H new ATOM 0 HE2 TYR A 62 12.552 -20.534 12.279 1.00 31.44 H new ATOM 0 HH TYR A 62 12.729 -23.223 14.595 1.00 43.32 H new ATOM 901 N THR A 63 8.670 -22.644 6.507 1.00 52.40 N ATOM 902 CA THR A 63 8.010 -23.145 5.308 1.00 13.12 C ATOM 903 C THR A 63 7.809 -22.033 4.285 1.00 1.32 C ATOM 904 O THR A 63 7.253 -20.980 4.599 1.00 71.15 O ATOM 905 CB THR A 63 6.643 -23.774 5.640 1.00 5.24 C ATOM 906 OG1 THR A 63 5.921 -24.041 4.434 1.00 73.25 O ATOM 907 CG2 THR A 63 5.826 -22.852 6.533 1.00 23.33 C ATOM 0 H THR A 63 8.114 -21.983 7.050 1.00 52.40 H new ATOM 0 HA THR A 63 8.661 -23.910 4.886 1.00 13.12 H new ATOM 0 HB THR A 63 6.818 -24.709 6.173 1.00 5.24 H new ATOM 0 HG1 THR A 63 5.054 -24.442 4.654 1.00 73.25 H new ATOM 0 HG21 THR A 63 4.865 -23.317 6.754 1.00 23.33 H new ATOM 0 HG22 THR A 63 6.366 -22.674 7.463 1.00 23.33 H new ATOM 0 HG23 THR A 63 5.661 -21.903 6.022 1.00 23.33 H new ATOM 915 N VAL A 64 8.265 -22.273 3.060 1.00 41.32 N ATOM 916 CA VAL A 64 8.134 -21.291 1.989 1.00 31.45 C ATOM 917 C VAL A 64 7.383 -21.875 0.798 1.00 63.22 C ATOM 918 O VAL A 64 7.374 -23.089 0.589 1.00 43.23 O ATOM 919 CB VAL A 64 9.511 -20.787 1.518 1.00 31.51 C ATOM 920 CG1 VAL A 64 9.353 -19.592 0.591 1.00 5.32 C ATOM 921 CG2 VAL A 64 10.386 -20.436 2.712 1.00 42.25 C ATOM 0 H VAL A 64 8.728 -23.139 2.784 1.00 41.32 H new ATOM 0 HA VAL A 64 7.569 -20.452 2.395 1.00 31.45 H new ATOM 0 HB VAL A 64 10.001 -21.586 0.961 1.00 31.51 H new ATOM 0 HG11 VAL A 64 10.336 -19.249 0.268 1.00 5.32 H new ATOM 0 HG12 VAL A 64 8.766 -19.882 -0.280 1.00 5.32 H new ATOM 0 HG13 VAL A 64 8.844 -18.786 1.120 1.00 5.32 H new ATOM 0 HG21 VAL A 64 11.355 -20.082 2.361 1.00 42.25 H new ATOM 0 HG22 VAL A 64 9.904 -19.654 3.299 1.00 42.25 H new ATOM 0 HG23 VAL A 64 10.526 -21.321 3.333 1.00 42.25 H new ATOM 931 N THR A 65 6.754 -21.003 0.017 1.00 55.32 N ATOM 932 CA THR A 65 5.999 -21.431 -1.154 1.00 41.13 C ATOM 933 C THR A 65 6.855 -21.363 -2.414 1.00 75.22 C ATOM 934 O THR A 65 7.210 -22.391 -2.989 1.00 63.22 O ATOM 935 CB THR A 65 4.739 -20.569 -1.356 1.00 75.24 C ATOM 936 OG1 THR A 65 4.719 -19.499 -0.406 1.00 3.44 O ATOM 937 CG2 THR A 65 3.479 -21.409 -1.207 1.00 61.32 C ATOM 0 H THR A 65 6.752 -19.995 0.174 1.00 55.32 H new ATOM 0 HA THR A 65 5.699 -22.464 -0.977 1.00 41.13 H new ATOM 0 HB THR A 65 4.766 -20.158 -2.365 1.00 75.24 H new ATOM 0 HG1 THR A 65 3.832 -19.083 -0.400 1.00 3.44 H new ATOM 0 HG21 THR A 65 2.602 -20.779 -1.354 1.00 61.32 H new ATOM 0 HG22 THR A 65 3.482 -22.205 -1.951 1.00 61.32 H new ATOM 0 HG23 THR A 65 3.449 -21.846 -0.209 1.00 61.32 H new ATOM 945 N GLU A 66 7.182 -20.146 -2.837 1.00 75.13 N ATOM 946 CA GLU A 66 7.996 -19.946 -4.030 1.00 52.03 C ATOM 947 C GLU A 66 8.229 -18.460 -4.287 1.00 1.12 C ATOM 948 O GLU A 66 7.686 -17.604 -3.586 1.00 60.54 O ATOM 949 CB GLU A 66 7.323 -20.585 -5.247 1.00 24.30 C ATOM 950 CG GLU A 66 5.849 -20.242 -5.378 1.00 41.32 C ATOM 951 CD GLU A 66 5.175 -20.988 -6.513 1.00 51.11 C ATOM 952 OE1 GLU A 66 4.005 -20.673 -6.817 1.00 20.22 O ATOM 953 OE2 GLU A 66 5.816 -21.886 -7.097 1.00 43.12 O ATOM 0 H GLU A 66 6.896 -19.285 -2.372 1.00 75.13 H new ATOM 0 HA GLU A 66 8.961 -20.425 -3.864 1.00 52.03 H new ATOM 0 HB2 GLU A 66 7.843 -20.264 -6.149 1.00 24.30 H new ATOM 0 HB3 GLU A 66 7.431 -21.668 -5.184 1.00 24.30 H new ATOM 0 HG2 GLU A 66 5.341 -20.476 -4.442 1.00 41.32 H new ATOM 0 HG3 GLU A 66 5.742 -19.169 -5.539 1.00 41.32 H new ATOM 960 N LEU A 67 9.041 -18.160 -5.295 1.00 13.02 N ATOM 961 CA LEU A 67 9.347 -16.777 -5.645 1.00 24.42 C ATOM 962 C LEU A 67 8.070 -15.984 -5.899 1.00 12.45 C ATOM 963 O LEU A 67 8.041 -14.765 -5.730 1.00 34.03 O ATOM 964 CB LEU A 67 10.245 -16.731 -6.883 1.00 35.01 C ATOM 965 CG LEU A 67 9.786 -17.571 -8.076 1.00 3.13 C ATOM 966 CD1 LEU A 67 8.792 -16.794 -8.925 1.00 63.21 C ATOM 967 CD2 LEU A 67 10.981 -18.005 -8.913 1.00 32.25 C ATOM 0 H LEU A 67 9.499 -18.855 -5.884 1.00 13.02 H new ATOM 0 HA LEU A 67 9.873 -16.323 -4.805 1.00 24.42 H new ATOM 0 HB2 LEU A 67 10.332 -15.694 -7.206 1.00 35.01 H new ATOM 0 HB3 LEU A 67 11.244 -17.060 -6.595 1.00 35.01 H new ATOM 0 HG LEU A 67 9.289 -18.464 -7.698 1.00 3.13 H new ATOM 0 HD11 LEU A 67 8.477 -17.407 -9.769 1.00 63.21 H new ATOM 0 HD12 LEU A 67 7.923 -16.534 -8.321 1.00 63.21 H new ATOM 0 HD13 LEU A 67 9.263 -15.883 -9.295 1.00 63.21 H new ATOM 0 HD21 LEU A 67 10.636 -18.602 -9.758 1.00 32.25 H new ATOM 0 HD22 LEU A 67 11.506 -17.124 -9.282 1.00 32.25 H new ATOM 0 HD23 LEU A 67 11.657 -18.601 -8.300 1.00 32.25 H new ATOM 979 N ALA A 68 7.015 -16.684 -6.303 1.00 11.41 N ATOM 980 CA ALA A 68 5.733 -16.045 -6.576 1.00 23.05 C ATOM 981 C ALA A 68 5.114 -15.489 -5.298 1.00 30.44 C ATOM 982 O ALA A 68 4.599 -14.372 -5.281 1.00 43.32 O ATOM 983 CB ALA A 68 4.783 -17.031 -7.240 1.00 2.44 C ATOM 0 H ALA A 68 7.023 -17.694 -6.449 1.00 11.41 H new ATOM 0 HA ALA A 68 5.907 -15.211 -7.256 1.00 23.05 H new ATOM 0 HB1 ALA A 68 3.830 -16.541 -7.438 1.00 2.44 H new ATOM 0 HB2 ALA A 68 5.215 -17.377 -8.179 1.00 2.44 H new ATOM 0 HB3 ALA A 68 4.622 -17.883 -6.579 1.00 2.44 H new ATOM 989 N ALA A 69 5.167 -16.278 -4.229 1.00 13.52 N ATOM 990 CA ALA A 69 4.612 -15.863 -2.946 1.00 71.31 C ATOM 991 C ALA A 69 5.422 -14.722 -2.341 1.00 14.23 C ATOM 992 O ALA A 69 4.872 -13.838 -1.683 1.00 52.11 O ATOM 993 CB ALA A 69 4.561 -17.044 -1.987 1.00 42.52 C ATOM 0 H ALA A 69 5.588 -17.207 -4.226 1.00 13.52 H new ATOM 0 HA ALA A 69 3.597 -15.503 -3.116 1.00 71.31 H new ATOM 0 HB1 ALA A 69 4.145 -16.720 -1.033 1.00 42.52 H new ATOM 0 HB2 ALA A 69 3.933 -17.829 -2.409 1.00 42.52 H new ATOM 0 HB3 ALA A 69 5.568 -17.430 -1.831 1.00 42.52 H new ATOM 999 N PHE A 70 6.731 -14.747 -2.566 1.00 40.21 N ATOM 1000 CA PHE A 70 7.617 -13.714 -2.041 1.00 60.40 C ATOM 1001 C PHE A 70 7.368 -12.379 -2.736 1.00 40.01 C ATOM 1002 O PHE A 70 7.498 -11.317 -2.129 1.00 23.35 O ATOM 1003 CB PHE A 70 9.079 -14.129 -2.218 1.00 22.25 C ATOM 1004 CG PHE A 70 10.057 -13.101 -1.725 1.00 25.40 C ATOM 1005 CD1 PHE A 70 10.677 -12.235 -2.611 1.00 25.30 C ATOM 1006 CD2 PHE A 70 10.358 -13.002 -0.376 1.00 15.11 C ATOM 1007 CE1 PHE A 70 11.578 -11.288 -2.161 1.00 60.00 C ATOM 1008 CE2 PHE A 70 11.257 -12.057 0.080 1.00 53.51 C ATOM 1009 CZ PHE A 70 11.869 -11.199 -0.814 1.00 33.42 C ATOM 0 H PHE A 70 7.202 -15.471 -3.108 1.00 40.21 H new ATOM 0 HA PHE A 70 7.406 -13.595 -0.978 1.00 60.40 H new ATOM 0 HB2 PHE A 70 9.250 -15.065 -1.687 1.00 22.25 H new ATOM 0 HB3 PHE A 70 9.268 -14.322 -3.274 1.00 22.25 H new ATOM 0 HD1 PHE A 70 10.454 -12.301 -3.666 1.00 25.30 H new ATOM 0 HD2 PHE A 70 9.884 -13.671 0.327 1.00 15.11 H new ATOM 0 HE1 PHE A 70 12.054 -10.618 -2.862 1.00 60.00 H new ATOM 0 HE2 PHE A 70 11.481 -11.989 1.134 1.00 53.51 H new ATOM 0 HZ PHE A 70 12.573 -10.461 -0.460 1.00 33.42 H new ATOM 1019 N ASN A 71 7.009 -12.442 -4.014 1.00 44.24 N ATOM 1020 CA ASN A 71 6.743 -11.238 -4.794 1.00 21.15 C ATOM 1021 C ASN A 71 5.609 -10.428 -4.173 1.00 74.41 C ATOM 1022 O ASN A 71 5.647 -9.198 -4.154 1.00 1.44 O ATOM 1023 CB ASN A 71 6.392 -11.607 -6.236 1.00 52.23 C ATOM 1024 CG ASN A 71 7.429 -11.115 -7.228 1.00 31.14 C ATOM 1025 OD1 ASN A 71 8.618 -11.404 -7.094 1.00 30.54 O ATOM 1026 ND2 ASN A 71 6.982 -10.367 -8.229 1.00 74.04 N ATOM 0 H ASN A 71 6.896 -13.314 -4.532 1.00 44.24 H new ATOM 0 HA ASN A 71 7.645 -10.627 -4.793 1.00 21.15 H new ATOM 0 HB2 ASN A 71 6.299 -12.690 -6.319 1.00 52.23 H new ATOM 0 HB3 ASN A 71 5.420 -11.183 -6.490 1.00 52.23 H new ATOM 0 HD21 ASN A 71 7.633 -10.007 -8.927 1.00 74.04 H new ATOM 0 HD22 ASN A 71 5.987 -10.152 -8.301 1.00 74.04 H new ATOM 1033 N THR A 72 4.598 -11.128 -3.666 1.00 2.13 N ATOM 1034 CA THR A 72 3.452 -10.475 -3.045 1.00 24.30 C ATOM 1035 C THR A 72 3.816 -9.911 -1.677 1.00 1.44 C ATOM 1036 O THR A 72 3.322 -8.856 -1.278 1.00 33.15 O ATOM 1037 CB THR A 72 2.269 -11.448 -2.888 1.00 74.31 C ATOM 1038 OG1 THR A 72 2.650 -12.758 -3.324 1.00 11.03 O ATOM 1039 CG2 THR A 72 1.067 -10.972 -3.689 1.00 54.35 C ATOM 0 H THR A 72 4.550 -12.147 -3.673 1.00 2.13 H new ATOM 0 HA THR A 72 3.157 -9.659 -3.705 1.00 24.30 H new ATOM 0 HB THR A 72 1.993 -11.482 -1.834 1.00 74.31 H new ATOM 0 HG1 THR A 72 3.269 -13.152 -2.674 1.00 11.03 H new ATOM 0 HG21 THR A 72 0.244 -11.675 -3.563 1.00 54.35 H new ATOM 0 HG22 THR A 72 0.761 -9.988 -3.335 1.00 54.35 H new ATOM 0 HG23 THR A 72 1.334 -10.912 -4.744 1.00 54.35 H new ATOM 1047 N VAL A 73 4.684 -10.619 -0.961 1.00 2.41 N ATOM 1048 CA VAL A 73 5.116 -10.187 0.363 1.00 12.50 C ATOM 1049 C VAL A 73 6.023 -8.964 0.274 1.00 73.42 C ATOM 1050 O VAL A 73 5.819 -7.974 0.976 1.00 53.23 O ATOM 1051 CB VAL A 73 5.861 -11.312 1.105 1.00 13.25 C ATOM 1052 CG1 VAL A 73 6.429 -10.799 2.420 1.00 21.30 C ATOM 1053 CG2 VAL A 73 4.937 -12.497 1.341 1.00 74.13 C ATOM 0 H VAL A 73 5.102 -11.495 -1.276 1.00 2.41 H new ATOM 0 HA VAL A 73 4.216 -9.928 0.921 1.00 12.50 H new ATOM 0 HB VAL A 73 6.692 -11.646 0.483 1.00 13.25 H new ATOM 0 HG11 VAL A 73 6.952 -11.608 2.931 1.00 21.30 H new ATOM 0 HG12 VAL A 73 7.126 -9.984 2.222 1.00 21.30 H new ATOM 0 HG13 VAL A 73 5.617 -10.437 3.051 1.00 21.30 H new ATOM 0 HG21 VAL A 73 5.480 -13.283 1.866 1.00 74.13 H new ATOM 0 HG22 VAL A 73 4.085 -12.180 1.943 1.00 74.13 H new ATOM 0 HG23 VAL A 73 4.583 -12.879 0.383 1.00 74.13 H new ATOM 1063 N VAL A 74 7.026 -9.041 -0.595 1.00 52.32 N ATOM 1064 CA VAL A 74 7.964 -7.940 -0.778 1.00 41.03 C ATOM 1065 C VAL A 74 7.239 -6.662 -1.185 1.00 4.11 C ATOM 1066 O VAL A 74 7.624 -5.564 -0.784 1.00 50.21 O ATOM 1067 CB VAL A 74 9.024 -8.277 -1.844 1.00 20.32 C ATOM 1068 CG1 VAL A 74 8.368 -8.505 -3.197 1.00 15.31 C ATOM 1069 CG2 VAL A 74 10.066 -7.172 -1.927 1.00 21.14 C ATOM 0 H VAL A 74 7.210 -9.854 -1.183 1.00 52.32 H new ATOM 0 HA VAL A 74 8.459 -7.784 0.180 1.00 41.03 H new ATOM 0 HB VAL A 74 9.527 -9.199 -1.552 1.00 20.32 H new ATOM 0 HG11 VAL A 74 9.133 -8.742 -3.937 1.00 15.31 H new ATOM 0 HG12 VAL A 74 7.664 -9.334 -3.125 1.00 15.31 H new ATOM 0 HG13 VAL A 74 7.837 -7.603 -3.500 1.00 15.31 H new ATOM 0 HG21 VAL A 74 10.807 -7.427 -2.685 1.00 21.14 H new ATOM 0 HG22 VAL A 74 9.581 -6.234 -2.195 1.00 21.14 H new ATOM 0 HG23 VAL A 74 10.558 -7.063 -0.961 1.00 21.14 H new ATOM 1079 N ALA A 75 6.188 -6.813 -1.983 1.00 73.03 N ATOM 1080 CA ALA A 75 5.407 -5.671 -2.443 1.00 31.15 C ATOM 1081 C ALA A 75 4.780 -4.927 -1.268 1.00 74.15 C ATOM 1082 O ALA A 75 4.807 -3.697 -1.215 1.00 21.54 O ATOM 1083 CB ALA A 75 4.331 -6.125 -3.418 1.00 32.34 C ATOM 0 H ALA A 75 5.857 -7.715 -2.325 1.00 73.03 H new ATOM 0 HA ALA A 75 6.080 -4.985 -2.957 1.00 31.15 H new ATOM 0 HB1 ALA A 75 3.756 -5.262 -3.753 1.00 32.34 H new ATOM 0 HB2 ALA A 75 4.798 -6.605 -4.278 1.00 32.34 H new ATOM 0 HB3 ALA A 75 3.667 -6.833 -2.923 1.00 32.34 H new ATOM 1089 N ARG A 76 4.214 -5.680 -0.331 1.00 24.23 N ATOM 1090 CA ARG A 76 3.578 -5.091 0.842 1.00 64.34 C ATOM 1091 C ARG A 76 4.615 -4.750 1.908 1.00 33.15 C ATOM 1092 O ARG A 76 4.374 -3.911 2.777 1.00 32.11 O ATOM 1093 CB ARG A 76 2.535 -6.050 1.418 1.00 55.15 C ATOM 1094 CG ARG A 76 1.547 -6.567 0.384 1.00 14.44 C ATOM 1095 CD ARG A 76 1.001 -5.439 -0.477 1.00 52.23 C ATOM 1096 NE ARG A 76 -0.352 -5.717 -0.951 1.00 34.52 N ATOM 1097 CZ ARG A 76 -1.043 -4.893 -1.730 1.00 44.35 C ATOM 1098 NH1 ARG A 76 -0.509 -3.744 -2.123 1.00 31.03 N ATOM 1099 NH2 ARG A 76 -2.269 -5.217 -2.120 1.00 0.31 N ATOM 0 H ARG A 76 4.183 -6.699 -0.361 1.00 24.23 H new ATOM 0 HA ARG A 76 3.083 -4.170 0.533 1.00 64.34 H new ATOM 0 HB2 ARG A 76 3.046 -6.897 1.876 1.00 55.15 H new ATOM 0 HB3 ARG A 76 1.986 -5.543 2.211 1.00 55.15 H new ATOM 0 HG2 ARG A 76 2.036 -7.306 -0.250 1.00 14.44 H new ATOM 0 HG3 ARG A 76 0.723 -7.073 0.887 1.00 14.44 H new ATOM 0 HD2 ARG A 76 1.001 -4.513 0.097 1.00 52.23 H new ATOM 0 HD3 ARG A 76 1.660 -5.284 -1.332 1.00 52.23 H new ATOM 0 HE ARG A 76 -0.791 -6.593 -0.668 1.00 34.52 H new ATOM 0 HH11 ARG A 76 0.434 -3.492 -1.827 1.00 31.03 H new ATOM 0 HH12 ARG A 76 -1.041 -3.112 -2.721 1.00 31.03 H new ATOM 0 HH21 ARG A 76 -2.682 -6.100 -1.821 1.00 0.31 H new ATOM 0 HH22 ARG A 76 -2.798 -4.583 -2.718 1.00 0.31 H new ATOM 1113 N HIS A 77 5.768 -5.407 1.837 1.00 3.40 N ATOM 1114 CA HIS A 77 6.842 -5.173 2.797 1.00 53.24 C ATOM 1115 C HIS A 77 7.581 -3.876 2.480 1.00 35.01 C ATOM 1116 O HIS A 77 7.741 -3.014 3.344 1.00 23.24 O ATOM 1117 CB HIS A 77 7.822 -6.346 2.793 1.00 62.01 C ATOM 1118 CG HIS A 77 7.554 -7.354 3.867 1.00 30.25 C ATOM 1119 ND1 HIS A 77 8.553 -8.064 4.500 1.00 11.30 N ATOM 1120 CD2 HIS A 77 6.391 -7.769 4.422 1.00 71.12 C ATOM 1121 CE1 HIS A 77 8.016 -8.873 5.396 1.00 52.32 C ATOM 1122 NE2 HIS A 77 6.705 -8.713 5.369 1.00 51.14 N ATOM 0 H HIS A 77 5.983 -6.105 1.125 1.00 3.40 H new ATOM 0 HA HIS A 77 6.397 -5.084 3.788 1.00 53.24 H new ATOM 0 HB2 HIS A 77 7.779 -6.841 1.823 1.00 62.01 H new ATOM 0 HB3 HIS A 77 8.835 -5.962 2.911 1.00 62.01 H new ATOM 0 HD1 HIS A 77 9.551 -7.978 4.307 1.00 11.30 H new ATOM 0 HD2 HIS A 77 5.400 -7.422 4.167 1.00 71.12 H new ATOM 0 HE1 HIS A 77 8.557 -9.550 6.041 1.00 52.32 H new ATOM 1130 N VAL A 78 8.029 -3.745 1.236 1.00 51.44 N ATOM 1131 CA VAL A 78 8.750 -2.553 0.805 1.00 64.12 C ATOM 1132 C VAL A 78 8.006 -1.285 1.206 1.00 10.32 C ATOM 1133 O VAL A 78 6.917 -1.006 0.703 1.00 23.22 O ATOM 1134 CB VAL A 78 8.966 -2.548 -0.720 1.00 73.03 C ATOM 1135 CG1 VAL A 78 9.969 -3.618 -1.122 1.00 24.24 C ATOM 1136 CG2 VAL A 78 7.643 -2.747 -1.445 1.00 62.12 C ATOM 0 H VAL A 78 7.906 -4.449 0.509 1.00 51.44 H new ATOM 0 HA VAL A 78 9.720 -2.574 1.302 1.00 64.12 H new ATOM 0 HB VAL A 78 9.371 -1.578 -1.009 1.00 73.03 H new ATOM 0 HG11 VAL A 78 10.108 -3.599 -2.203 1.00 24.24 H new ATOM 0 HG12 VAL A 78 10.923 -3.426 -0.630 1.00 24.24 H new ATOM 0 HG13 VAL A 78 9.596 -4.597 -0.822 1.00 24.24 H new ATOM 0 HG21 VAL A 78 7.814 -2.741 -2.522 1.00 62.12 H new ATOM 0 HG22 VAL A 78 7.208 -3.702 -1.152 1.00 62.12 H new ATOM 0 HG23 VAL A 78 6.959 -1.940 -1.181 1.00 62.12 H new ATOM 1146 N ARG A 79 8.601 -0.519 2.115 1.00 54.30 N ATOM 1147 CA ARG A 79 7.993 0.721 2.585 1.00 64.32 C ATOM 1148 C ARG A 79 9.061 1.709 3.044 1.00 42.42 C ATOM 1149 O ARG A 79 10.199 1.341 3.335 1.00 65.14 O ATOM 1150 CB ARG A 79 7.021 0.435 3.731 1.00 24.10 C ATOM 1151 CG ARG A 79 5.559 0.560 3.335 1.00 23.21 C ATOM 1152 CD ARG A 79 4.780 1.396 4.338 1.00 31.22 C ATOM 1153 NE ARG A 79 3.451 0.846 4.594 1.00 25.22 N ATOM 1154 CZ ARG A 79 2.610 1.345 5.492 1.00 11.34 C ATOM 1155 NH1 ARG A 79 2.957 2.401 6.216 1.00 30.41 N ATOM 1156 NH2 ARG A 79 1.418 0.789 5.668 1.00 51.32 N ATOM 0 H ARG A 79 9.503 -0.735 2.540 1.00 54.30 H new ATOM 0 HA ARG A 79 7.444 1.165 1.755 1.00 64.32 H new ATOM 0 HB2 ARG A 79 7.202 -0.572 4.107 1.00 24.10 H new ATOM 0 HB3 ARG A 79 7.227 1.123 4.551 1.00 24.10 H new ATOM 0 HG2 ARG A 79 5.486 1.014 2.347 1.00 23.21 H new ATOM 0 HG3 ARG A 79 5.114 -0.432 3.263 1.00 23.21 H new ATOM 0 HD2 ARG A 79 5.336 1.451 5.274 1.00 31.22 H new ATOM 0 HD3 ARG A 79 4.685 2.415 3.964 1.00 31.22 H new ATOM 0 HE ARG A 79 3.153 0.034 4.053 1.00 25.22 H new ATOM 0 HH11 ARG A 79 3.872 2.832 6.084 1.00 30.41 H new ATOM 0 HH12 ARG A 79 2.309 2.782 6.905 1.00 30.41 H new ATOM 0 HH21 ARG A 79 1.147 -0.023 5.113 1.00 51.32 H new ATOM 0 HH22 ARG A 79 0.773 1.173 6.358 1.00 51.32 H new ATOM 1170 N PRO A 80 8.688 2.996 3.110 1.00 35.24 N ATOM 1171 CA PRO A 80 9.598 4.064 3.533 1.00 23.12 C ATOM 1172 C PRO A 80 9.936 3.984 5.018 1.00 64.51 C ATOM 1173 O PRO A 80 9.096 4.266 5.872 1.00 50.12 O ATOM 1174 CB PRO A 80 8.811 5.341 3.233 1.00 55.45 C ATOM 1175 CG PRO A 80 7.381 4.925 3.278 1.00 30.42 C ATOM 1176 CD PRO A 80 7.347 3.507 2.779 1.00 71.24 C ATOM 0 HA PRO A 80 10.558 4.008 3.019 1.00 23.12 H new ATOM 0 HB2 PRO A 80 9.021 6.117 3.969 1.00 55.45 H new ATOM 0 HB3 PRO A 80 9.074 5.748 2.257 1.00 55.45 H new ATOM 0 HG2 PRO A 80 6.987 4.991 4.292 1.00 30.42 H new ATOM 0 HG3 PRO A 80 6.766 5.573 2.654 1.00 30.42 H new ATOM 0 HD2 PRO A 80 6.564 2.928 3.268 1.00 71.24 H new ATOM 0 HD3 PRO A 80 7.153 3.463 1.707 1.00 71.24 H new ATOM 1184 N SER A 81 11.172 3.597 5.319 1.00 60.13 N ATOM 1185 CA SER A 81 11.620 3.476 6.701 1.00 0.21 C ATOM 1186 C SER A 81 10.772 2.460 7.460 1.00 23.02 C ATOM 1187 O SER A 81 10.431 2.666 8.624 1.00 1.04 O ATOM 1188 CB SER A 81 11.556 4.835 7.401 1.00 55.22 C ATOM 1189 OG SER A 81 12.622 4.986 8.321 1.00 3.13 O ATOM 0 H SER A 81 11.881 3.362 4.624 1.00 60.13 H new ATOM 0 HA SER A 81 12.653 3.128 6.693 1.00 0.21 H new ATOM 0 HB2 SER A 81 11.597 5.632 6.659 1.00 55.22 H new ATOM 0 HB3 SER A 81 10.604 4.934 7.923 1.00 55.22 H new ATOM 0 HG SER A 81 12.559 5.863 8.754 1.00 3.13 H new ATOM 1195 N ALA A 82 10.436 1.362 6.791 1.00 30.02 N ATOM 1196 CA ALA A 82 9.630 0.312 7.402 1.00 42.12 C ATOM 1197 C ALA A 82 10.499 -0.862 7.841 1.00 41.41 C ATOM 1198 O ALA A 82 11.017 -1.608 7.010 1.00 1.31 O ATOM 1199 CB ALA A 82 8.555 -0.158 6.434 1.00 74.11 C ATOM 0 H ALA A 82 10.709 1.176 5.826 1.00 30.02 H new ATOM 0 HA ALA A 82 9.150 0.726 8.289 1.00 42.12 H new ATOM 0 HB1 ALA A 82 7.961 -0.942 6.903 1.00 74.11 H new ATOM 0 HB2 ALA A 82 7.909 0.680 6.173 1.00 74.11 H new ATOM 0 HB3 ALA A 82 9.024 -0.549 5.531 1.00 74.11 H new ATOM 1205 N SER A 83 10.655 -1.019 9.152 1.00 40.25 N ATOM 1206 CA SER A 83 11.465 -2.100 9.701 1.00 44.53 C ATOM 1207 C SER A 83 10.583 -3.233 10.215 1.00 10.35 C ATOM 1208 O SER A 83 9.703 -3.018 11.049 1.00 34.43 O ATOM 1209 CB SER A 83 12.353 -1.576 10.831 1.00 4.21 C ATOM 1210 OG SER A 83 12.767 -0.244 10.579 1.00 24.21 O ATOM 0 H SER A 83 10.231 -0.411 9.853 1.00 40.25 H new ATOM 0 HA SER A 83 12.097 -2.489 8.903 1.00 44.53 H new ATOM 0 HB2 SER A 83 11.809 -1.619 11.775 1.00 4.21 H new ATOM 0 HB3 SER A 83 13.227 -2.218 10.938 1.00 4.21 H new ATOM 0 HG SER A 83 13.332 0.068 11.317 1.00 24.21 H new ATOM 1216 N ILE A 84 10.826 -4.438 9.712 1.00 33.23 N ATOM 1217 CA ILE A 84 10.055 -5.606 10.121 1.00 15.43 C ATOM 1218 C ILE A 84 10.964 -6.803 10.377 1.00 14.22 C ATOM 1219 O ILE A 84 11.847 -7.124 9.582 1.00 32.40 O ATOM 1220 CB ILE A 84 9.007 -5.988 9.059 1.00 32.54 C ATOM 1221 CG1 ILE A 84 8.086 -4.802 8.769 1.00 50.42 C ATOM 1222 CG2 ILE A 84 8.199 -7.192 9.522 1.00 10.32 C ATOM 1223 CD1 ILE A 84 8.609 -3.882 7.688 1.00 52.41 C ATOM 0 H ILE A 84 11.551 -4.632 9.021 1.00 33.23 H new ATOM 0 HA ILE A 84 9.543 -5.339 11.045 1.00 15.43 H new ATOM 0 HB ILE A 84 9.525 -6.254 8.138 1.00 32.54 H new ATOM 0 HG12 ILE A 84 7.106 -5.177 8.473 1.00 50.42 H new ATOM 0 HG13 ILE A 84 7.945 -4.229 9.686 1.00 50.42 H new ATOM 0 HG21 ILE A 84 7.462 -7.450 8.761 1.00 10.32 H new ATOM 0 HG22 ILE A 84 8.867 -8.038 9.683 1.00 10.32 H new ATOM 0 HG23 ILE A 84 7.688 -6.951 10.454 1.00 10.32 H new ATOM 0 HD11 ILE A 84 7.905 -3.064 7.535 1.00 52.41 H new ATOM 0 HD12 ILE A 84 9.575 -3.478 7.990 1.00 52.41 H new ATOM 0 HD13 ILE A 84 8.724 -4.440 6.759 1.00 52.41 H new ATOM 1235 N PRO A 85 10.743 -7.481 11.513 1.00 31.21 N ATOM 1236 CA PRO A 85 11.530 -8.656 11.899 1.00 4.34 C ATOM 1237 C PRO A 85 11.248 -9.861 11.009 1.00 22.33 C ATOM 1238 O PRO A 85 10.107 -10.309 10.897 1.00 20.43 O ATOM 1239 CB PRO A 85 11.075 -8.932 13.334 1.00 35.13 C ATOM 1240 CG PRO A 85 9.704 -8.354 13.414 1.00 0.44 C ATOM 1241 CD PRO A 85 9.707 -7.154 12.507 1.00 21.34 C ATOM 0 HA PRO A 85 12.601 -8.478 11.804 1.00 4.34 H new ATOM 0 HB2 PRO A 85 11.067 -10.001 13.548 1.00 35.13 H new ATOM 0 HB3 PRO A 85 11.744 -8.467 14.058 1.00 35.13 H new ATOM 0 HG2 PRO A 85 8.955 -9.080 13.098 1.00 0.44 H new ATOM 0 HG3 PRO A 85 9.460 -8.069 14.437 1.00 0.44 H new ATOM 0 HD2 PRO A 85 8.735 -7.002 12.039 1.00 21.34 H new ATOM 0 HD3 PRO A 85 9.946 -6.240 13.051 1.00 21.34 H new ATOM 1249 N VAL A 86 12.295 -10.383 10.378 1.00 41.12 N ATOM 1250 CA VAL A 86 12.160 -11.538 9.499 1.00 71.15 C ATOM 1251 C VAL A 86 12.988 -12.714 10.004 1.00 3.33 C ATOM 1252 O VAL A 86 14.075 -12.531 10.554 1.00 54.21 O ATOM 1253 CB VAL A 86 12.592 -11.201 8.059 1.00 70.30 C ATOM 1254 CG1 VAL A 86 12.476 -12.427 7.166 1.00 72.11 C ATOM 1255 CG2 VAL A 86 11.762 -10.051 7.510 1.00 44.35 C ATOM 0 H VAL A 86 13.246 -10.024 10.459 1.00 41.12 H new ATOM 0 HA VAL A 86 11.105 -11.814 9.499 1.00 71.15 H new ATOM 0 HB VAL A 86 13.637 -10.890 8.075 1.00 70.30 H new ATOM 0 HG11 VAL A 86 12.785 -12.170 6.153 1.00 72.11 H new ATOM 0 HG12 VAL A 86 13.118 -13.220 7.551 1.00 72.11 H new ATOM 0 HG13 VAL A 86 11.442 -12.771 7.153 1.00 72.11 H new ATOM 0 HG21 VAL A 86 12.080 -9.826 6.492 1.00 44.35 H new ATOM 0 HG22 VAL A 86 10.709 -10.331 7.507 1.00 44.35 H new ATOM 0 HG23 VAL A 86 11.901 -9.170 8.137 1.00 44.35 H new ATOM 1265 N VAL A 87 12.468 -13.922 9.814 1.00 22.25 N ATOM 1266 CA VAL A 87 13.160 -15.129 10.250 1.00 64.31 C ATOM 1267 C VAL A 87 13.966 -15.742 9.110 1.00 24.01 C ATOM 1268 O VAL A 87 13.437 -15.997 8.028 1.00 3.30 O ATOM 1269 CB VAL A 87 12.171 -16.180 10.787 1.00 22.55 C ATOM 1270 CG1 VAL A 87 11.072 -16.449 9.771 1.00 65.35 C ATOM 1271 CG2 VAL A 87 12.903 -17.465 11.147 1.00 74.14 C ATOM 0 H VAL A 87 11.570 -14.091 9.361 1.00 22.25 H new ATOM 0 HA VAL A 87 13.836 -14.834 11.052 1.00 64.31 H new ATOM 0 HB VAL A 87 11.707 -15.787 11.692 1.00 22.55 H new ATOM 0 HG11 VAL A 87 10.383 -17.194 10.169 1.00 65.35 H new ATOM 0 HG12 VAL A 87 10.530 -15.525 9.568 1.00 65.35 H new ATOM 0 HG13 VAL A 87 11.514 -16.820 8.847 1.00 65.35 H new ATOM 0 HG21 VAL A 87 12.189 -18.197 11.525 1.00 74.14 H new ATOM 0 HG22 VAL A 87 13.396 -17.863 10.260 1.00 74.14 H new ATOM 0 HG23 VAL A 87 13.649 -17.256 11.914 1.00 74.14 H new ATOM 1281 N PHE A 88 15.250 -15.977 9.360 1.00 22.13 N ATOM 1282 CA PHE A 88 16.131 -16.560 8.355 1.00 72.12 C ATOM 1283 C PHE A 88 16.662 -17.914 8.816 1.00 31.11 C ATOM 1284 O PHE A 88 16.662 -18.220 10.009 1.00 53.54 O ATOM 1285 CB PHE A 88 17.298 -15.616 8.059 1.00 12.31 C ATOM 1286 CG PHE A 88 17.031 -14.671 6.922 1.00 2.24 C ATOM 1287 CD1 PHE A 88 17.962 -14.504 5.910 1.00 72.45 C ATOM 1288 CD2 PHE A 88 15.850 -13.949 6.867 1.00 11.42 C ATOM 1289 CE1 PHE A 88 17.719 -13.636 4.862 1.00 43.11 C ATOM 1290 CE2 PHE A 88 15.602 -13.079 5.822 1.00 71.11 C ATOM 1291 CZ PHE A 88 16.538 -12.922 4.819 1.00 41.43 C ATOM 0 H PHE A 88 15.704 -15.772 10.250 1.00 22.13 H new ATOM 0 HA PHE A 88 15.552 -16.708 7.443 1.00 72.12 H new ATOM 0 HB2 PHE A 88 17.524 -15.039 8.955 1.00 12.31 H new ATOM 0 HB3 PHE A 88 18.184 -16.208 7.829 1.00 12.31 H new ATOM 0 HD1 PHE A 88 18.888 -15.058 5.940 1.00 72.45 H new ATOM 0 HD2 PHE A 88 15.115 -14.067 7.649 1.00 11.42 H new ATOM 0 HE1 PHE A 88 18.452 -13.516 4.078 1.00 43.11 H new ATOM 0 HE2 PHE A 88 14.677 -12.522 5.790 1.00 71.11 H new ATOM 0 HZ PHE A 88 16.347 -12.242 4.002 1.00 41.43 H new ATOM 1301 N SER A 89 17.114 -18.722 7.862 1.00 34.12 N ATOM 1302 CA SER A 89 17.644 -20.046 8.169 1.00 14.50 C ATOM 1303 C SER A 89 18.970 -20.279 7.452 1.00 20.13 C ATOM 1304 O SER A 89 19.192 -19.771 6.353 1.00 2.33 O ATOM 1305 CB SER A 89 16.637 -21.126 7.769 1.00 64.31 C ATOM 1306 OG SER A 89 15.858 -21.534 8.880 1.00 51.11 O ATOM 0 H SER A 89 17.124 -18.483 6.870 1.00 34.12 H new ATOM 0 HA SER A 89 17.818 -20.102 9.244 1.00 14.50 H new ATOM 0 HB2 SER A 89 15.984 -20.746 6.983 1.00 64.31 H new ATOM 0 HB3 SER A 89 17.165 -21.985 7.356 1.00 64.31 H new ATOM 0 HG SER A 89 16.439 -21.659 9.659 1.00 51.11 H new ATOM 1312 N ARG A 90 19.848 -21.052 8.083 1.00 1.11 N ATOM 1313 CA ARG A 90 21.153 -21.353 7.507 1.00 4.54 C ATOM 1314 C ARG A 90 21.377 -22.860 7.425 1.00 3.34 C ATOM 1315 O ARG A 90 22.014 -23.451 8.298 1.00 72.14 O ATOM 1316 CB ARG A 90 22.263 -20.706 8.339 1.00 15.12 C ATOM 1317 CG ARG A 90 22.847 -19.454 7.706 1.00 1.34 C ATOM 1318 CD ARG A 90 23.979 -19.790 6.748 1.00 75.23 C ATOM 1319 NE ARG A 90 24.926 -18.688 6.611 1.00 43.51 N ATOM 1320 CZ ARG A 90 25.897 -18.661 5.704 1.00 12.14 C ATOM 1321 NH1 ARG A 90 26.047 -19.671 4.859 1.00 54.03 N ATOM 1322 NH2 ARG A 90 26.720 -17.622 5.642 1.00 12.21 N ATOM 0 H ARG A 90 19.679 -21.481 8.993 1.00 1.11 H new ATOM 0 HA ARG A 90 21.179 -20.944 6.497 1.00 4.54 H new ATOM 0 HB2 ARG A 90 21.868 -20.455 9.323 1.00 15.12 H new ATOM 0 HB3 ARG A 90 23.061 -21.432 8.491 1.00 15.12 H new ATOM 0 HG2 ARG A 90 22.064 -18.916 7.171 1.00 1.34 H new ATOM 0 HG3 ARG A 90 23.215 -18.788 8.487 1.00 1.34 H new ATOM 0 HD2 ARG A 90 24.504 -20.677 7.104 1.00 75.23 H new ATOM 0 HD3 ARG A 90 23.565 -20.036 5.770 1.00 75.23 H new ATOM 0 HE ARG A 90 24.838 -17.895 7.246 1.00 43.51 H new ATOM 0 HH11 ARG A 90 25.416 -20.471 4.904 1.00 54.03 H new ATOM 0 HH12 ARG A 90 26.793 -19.648 4.164 1.00 54.03 H new ATOM 0 HH21 ARG A 90 26.608 -16.843 6.291 1.00 12.21 H new ATOM 0 HH22 ARG A 90 27.465 -17.602 4.946 1.00 12.21 H new ATOM 1336 N ASP A 91 20.849 -23.474 6.373 1.00 65.43 N ATOM 1337 CA ASP A 91 20.992 -24.912 6.176 1.00 31.42 C ATOM 1338 C ASP A 91 20.345 -25.684 7.322 1.00 24.23 C ATOM 1339 O ASP A 91 20.869 -26.703 7.771 1.00 33.10 O ATOM 1340 CB ASP A 91 22.470 -25.289 6.061 1.00 72.11 C ATOM 1341 CG ASP A 91 23.285 -24.225 5.352 1.00 32.14 C ATOM 1342 OD1 ASP A 91 24.396 -23.913 5.829 1.00 23.12 O ATOM 1343 OD2 ASP A 91 22.812 -23.705 4.321 1.00 73.04 O ATOM 0 H ASP A 91 20.318 -22.999 5.643 1.00 65.43 H new ATOM 0 HA ASP A 91 20.484 -25.179 5.249 1.00 31.42 H new ATOM 0 HB2 ASP A 91 22.879 -25.452 7.058 1.00 72.11 H new ATOM 0 HB3 ASP A 91 22.561 -26.232 5.521 1.00 72.11 H new ATOM 1348 N GLY A 92 19.204 -25.190 7.793 1.00 41.14 N ATOM 1349 CA GLY A 92 18.506 -25.845 8.883 1.00 14.21 C ATOM 1350 C GLY A 92 18.736 -25.158 10.215 1.00 62.13 C ATOM 1351 O GLY A 92 18.336 -25.667 11.262 1.00 73.14 O ATOM 0 H GLY A 92 18.751 -24.348 7.439 1.00 41.14 H new ATOM 0 HA2 GLY A 92 17.438 -25.864 8.667 1.00 14.21 H new ATOM 0 HA3 GLY A 92 18.836 -26.882 8.951 1.00 14.21 H new ATOM 1355 N VAL A 93 19.385 -23.999 10.176 1.00 4.24 N ATOM 1356 CA VAL A 93 19.670 -23.241 11.389 1.00 35.23 C ATOM 1357 C VAL A 93 18.538 -22.271 11.709 1.00 34.44 C ATOM 1358 O VAL A 93 17.924 -21.697 10.810 1.00 62.45 O ATOM 1359 CB VAL A 93 20.986 -22.452 11.263 1.00 64.42 C ATOM 1360 CG1 VAL A 93 21.159 -21.508 12.443 1.00 54.25 C ATOM 1361 CG2 VAL A 93 22.168 -23.404 11.154 1.00 44.42 C ATOM 0 H VAL A 93 19.724 -23.564 9.318 1.00 4.24 H new ATOM 0 HA VAL A 93 19.766 -23.965 12.199 1.00 35.23 H new ATOM 0 HB VAL A 93 20.945 -21.853 10.353 1.00 64.42 H new ATOM 0 HG11 VAL A 93 22.095 -20.959 12.336 1.00 54.25 H new ATOM 0 HG12 VAL A 93 20.327 -20.804 12.471 1.00 54.25 H new ATOM 0 HG13 VAL A 93 21.179 -22.083 13.369 1.00 54.25 H new ATOM 0 HG21 VAL A 93 23.090 -22.830 11.066 1.00 44.42 H new ATOM 0 HG22 VAL A 93 22.214 -24.030 12.045 1.00 44.42 H new ATOM 0 HG23 VAL A 93 22.047 -24.035 10.273 1.00 44.42 H new ATOM 1371 N VAL A 94 18.266 -22.093 12.998 1.00 14.52 N ATOM 1372 CA VAL A 94 17.208 -21.190 13.438 1.00 21.53 C ATOM 1373 C VAL A 94 17.788 -19.911 14.030 1.00 42.21 C ATOM 1374 O VAL A 94 18.420 -19.934 15.086 1.00 53.11 O ATOM 1375 CB VAL A 94 16.298 -21.861 14.485 1.00 4.41 C ATOM 1376 CG1 VAL A 94 15.216 -20.897 14.947 1.00 0.02 C ATOM 1377 CG2 VAL A 94 15.685 -23.133 13.921 1.00 62.31 C ATOM 0 H VAL A 94 18.763 -22.562 13.756 1.00 14.52 H new ATOM 0 HA VAL A 94 16.616 -20.943 12.557 1.00 21.53 H new ATOM 0 HB VAL A 94 16.905 -22.130 15.350 1.00 4.41 H new ATOM 0 HG11 VAL A 94 14.583 -21.388 15.686 1.00 0.02 H new ATOM 0 HG12 VAL A 94 15.679 -20.017 15.393 1.00 0.02 H new ATOM 0 HG13 VAL A 94 14.610 -20.594 14.093 1.00 0.02 H new ATOM 0 HG21 VAL A 94 15.045 -23.594 14.674 1.00 62.31 H new ATOM 0 HG22 VAL A 94 15.091 -22.891 13.039 1.00 62.31 H new ATOM 0 HG23 VAL A 94 16.478 -23.828 13.645 1.00 62.31 H new ATOM 1387 N MET A 95 17.569 -18.795 13.342 1.00 51.00 N ATOM 1388 CA MET A 95 18.069 -17.504 13.801 1.00 72.13 C ATOM 1389 C MET A 95 17.082 -16.390 13.468 1.00 11.42 C ATOM 1390 O MET A 95 16.245 -16.534 12.577 1.00 21.22 O ATOM 1391 CB MET A 95 19.428 -17.204 13.165 1.00 32.31 C ATOM 1392 CG MET A 95 20.251 -16.189 13.941 1.00 53.31 C ATOM 1393 SD MET A 95 20.799 -16.815 15.540 1.00 30.13 S ATOM 1394 CE MET A 95 22.478 -16.195 15.589 1.00 5.43 C ATOM 0 H MET A 95 17.049 -18.759 12.465 1.00 51.00 H new ATOM 0 HA MET A 95 18.185 -17.551 14.884 1.00 72.13 H new ATOM 0 HB2 MET A 95 19.994 -18.132 13.083 1.00 32.31 H new ATOM 0 HB3 MET A 95 19.272 -16.835 12.151 1.00 32.31 H new ATOM 0 HG2 MET A 95 21.121 -15.904 13.349 1.00 53.31 H new ATOM 0 HG3 MET A 95 19.659 -15.286 14.092 1.00 53.31 H new ATOM 0 HE1 MET A 95 22.952 -16.501 16.522 1.00 5.43 H new ATOM 0 HE2 MET A 95 23.040 -16.599 14.747 1.00 5.43 H new ATOM 0 HE3 MET A 95 22.466 -15.107 15.528 1.00 5.43 H new ATOM 1404 N SER A 96 17.186 -15.278 14.190 1.00 35.53 N ATOM 1405 CA SER A 96 16.299 -14.141 13.974 1.00 1.03 C ATOM 1406 C SER A 96 17.101 -12.860 13.764 1.00 15.25 C ATOM 1407 O SER A 96 17.999 -12.542 14.543 1.00 63.52 O ATOM 1408 CB SER A 96 15.351 -13.974 15.163 1.00 55.31 C ATOM 1409 OG SER A 96 16.017 -13.390 16.269 1.00 52.41 O ATOM 0 H SER A 96 17.875 -15.141 14.929 1.00 35.53 H new ATOM 0 HA SER A 96 15.713 -14.334 13.076 1.00 1.03 H new ATOM 0 HB2 SER A 96 14.506 -13.350 14.873 1.00 55.31 H new ATOM 0 HB3 SER A 96 14.947 -14.945 15.449 1.00 55.31 H new ATOM 0 HG SER A 96 16.837 -12.950 15.962 1.00 52.41 H new ATOM 1415 N ALA A 97 16.768 -12.128 12.706 1.00 14.35 N ATOM 1416 CA ALA A 97 17.454 -10.880 12.394 1.00 32.31 C ATOM 1417 C ALA A 97 16.477 -9.832 11.872 1.00 11.04 C ATOM 1418 O ALA A 97 15.573 -10.142 11.095 1.00 1.14 O ATOM 1419 CB ALA A 97 18.559 -11.126 11.378 1.00 24.22 C ATOM 0 H ALA A 97 16.027 -12.378 12.050 1.00 14.35 H new ATOM 0 HA ALA A 97 17.898 -10.498 13.313 1.00 32.31 H new ATOM 0 HB1 ALA A 97 19.063 -10.186 11.154 1.00 24.22 H new ATOM 0 HB2 ALA A 97 19.279 -11.835 11.788 1.00 24.22 H new ATOM 0 HB3 ALA A 97 18.128 -11.534 10.463 1.00 24.22 H new ATOM 1425 N THR A 98 16.663 -8.589 12.305 1.00 43.31 N ATOM 1426 CA THR A 98 15.798 -7.495 11.883 1.00 15.10 C ATOM 1427 C THR A 98 16.247 -6.923 10.544 1.00 44.24 C ATOM 1428 O THR A 98 17.422 -6.605 10.357 1.00 25.31 O ATOM 1429 CB THR A 98 15.771 -6.364 12.929 1.00 61.04 C ATOM 1430 OG1 THR A 98 15.498 -6.903 14.227 1.00 75.24 O ATOM 1431 CG2 THR A 98 14.719 -5.324 12.574 1.00 3.30 C ATOM 0 H THR A 98 17.406 -8.315 12.948 1.00 43.31 H new ATOM 0 HA THR A 98 14.795 -7.908 11.780 1.00 15.10 H new ATOM 0 HB THR A 98 16.748 -5.881 12.935 1.00 61.04 H new ATOM 0 HG1 THR A 98 15.484 -6.178 14.886 1.00 75.24 H new ATOM 0 HG21 THR A 98 14.718 -4.536 13.327 1.00 3.30 H new ATOM 0 HG22 THR A 98 14.947 -4.894 11.598 1.00 3.30 H new ATOM 0 HG23 THR A 98 13.737 -5.796 12.542 1.00 3.30 H new ATOM 1439 N ILE A 99 15.306 -6.793 9.615 1.00 62.12 N ATOM 1440 CA ILE A 99 15.607 -6.257 8.293 1.00 33.11 C ATOM 1441 C ILE A 99 14.984 -4.878 8.105 1.00 72.05 C ATOM 1442 O ILE A 99 13.780 -4.698 8.289 1.00 70.10 O ATOM 1443 CB ILE A 99 15.102 -7.192 7.178 1.00 25.53 C ATOM 1444 CG1 ILE A 99 15.596 -8.621 7.419 1.00 41.42 C ATOM 1445 CG2 ILE A 99 15.561 -6.690 5.817 1.00 0.15 C ATOM 1446 CD1 ILE A 99 15.146 -9.602 6.359 1.00 31.03 C ATOM 0 H ILE A 99 14.329 -7.051 9.753 1.00 62.12 H new ATOM 0 HA ILE A 99 16.692 -6.176 8.224 1.00 33.11 H new ATOM 0 HB ILE A 99 14.012 -7.196 7.193 1.00 25.53 H new ATOM 0 HG12 ILE A 99 16.685 -8.618 7.461 1.00 41.42 H new ATOM 0 HG13 ILE A 99 15.240 -8.961 8.392 1.00 41.42 H new ATOM 0 HG21 ILE A 99 15.196 -7.361 5.040 1.00 0.15 H new ATOM 0 HG22 ILE A 99 15.166 -5.689 5.646 1.00 0.15 H new ATOM 0 HG23 ILE A 99 16.650 -6.660 5.789 1.00 0.15 H new ATOM 0 HD11 ILE A 99 15.532 -10.594 6.594 1.00 31.03 H new ATOM 0 HD12 ILE A 99 14.057 -9.634 6.332 1.00 31.03 H new ATOM 0 HD13 ILE A 99 15.524 -9.286 5.387 1.00 31.03 H new ATOM 1458 N VAL A 100 15.812 -3.906 7.734 1.00 72.41 N ATOM 1459 CA VAL A 100 15.342 -2.543 7.517 1.00 63.21 C ATOM 1460 C VAL A 100 15.308 -2.204 6.031 1.00 4.40 C ATOM 1461 O VAL A 100 16.350 -2.100 5.383 1.00 71.12 O ATOM 1462 CB VAL A 100 16.233 -1.520 8.246 1.00 42.00 C ATOM 1463 CG1 VAL A 100 15.990 -1.573 9.747 1.00 61.55 C ATOM 1464 CG2 VAL A 100 17.700 -1.767 7.926 1.00 74.51 C ATOM 0 H VAL A 100 16.811 -4.037 7.578 1.00 72.41 H new ATOM 0 HA VAL A 100 14.332 -2.488 7.922 1.00 63.21 H new ATOM 0 HB VAL A 100 15.971 -0.522 7.895 1.00 42.00 H new ATOM 0 HG11 VAL A 100 16.628 -0.843 10.245 1.00 61.55 H new ATOM 0 HG12 VAL A 100 14.945 -1.343 9.955 1.00 61.55 H new ATOM 0 HG13 VAL A 100 16.222 -2.571 10.118 1.00 61.55 H new ATOM 0 HG21 VAL A 100 18.315 -1.035 8.450 1.00 74.51 H new ATOM 0 HG22 VAL A 100 17.978 -2.771 8.247 1.00 74.51 H new ATOM 0 HG23 VAL A 100 17.859 -1.672 6.852 1.00 74.51 H new ATOM 1474 N VAL A 101 14.104 -2.030 5.496 1.00 33.54 N ATOM 1475 CA VAL A 101 13.933 -1.701 4.086 1.00 2.45 C ATOM 1476 C VAL A 101 13.612 -0.222 3.903 1.00 2.41 C ATOM 1477 O VAL A 101 12.671 0.299 4.500 1.00 32.22 O ATOM 1478 CB VAL A 101 12.813 -2.541 3.445 1.00 64.22 C ATOM 1479 CG1 VAL A 101 13.294 -3.961 3.184 1.00 53.42 C ATOM 1480 CG2 VAL A 101 11.576 -2.543 4.329 1.00 14.41 C ATOM 0 H VAL A 101 13.232 -2.111 6.018 1.00 33.54 H new ATOM 0 HA VAL A 101 14.877 -1.930 3.591 1.00 2.45 H new ATOM 0 HB VAL A 101 12.547 -2.091 2.489 1.00 64.22 H new ATOM 0 HG11 VAL A 101 12.489 -4.540 2.731 1.00 53.42 H new ATOM 0 HG12 VAL A 101 14.149 -3.937 2.508 1.00 53.42 H new ATOM 0 HG13 VAL A 101 13.589 -4.424 4.126 1.00 53.42 H new ATOM 0 HG21 VAL A 101 10.795 -3.141 3.860 1.00 14.41 H new ATOM 0 HG22 VAL A 101 11.824 -2.968 5.301 1.00 14.41 H new ATOM 0 HG23 VAL A 101 11.221 -1.521 4.460 1.00 14.41 H new ATOM 1490 N GLY A 102 14.402 0.451 3.071 1.00 11.35 N ATOM 1491 CA GLY A 102 14.185 1.865 2.823 1.00 25.34 C ATOM 1492 C GLY A 102 13.720 2.140 1.408 1.00 53.25 C ATOM 1493 O GLY A 102 14.489 2.001 0.457 1.00 55.31 O ATOM 0 H GLY A 102 15.188 0.043 2.565 1.00 11.35 H new ATOM 0 HA2 GLY A 102 13.444 2.244 3.526 1.00 25.34 H new ATOM 0 HA3 GLY A 102 15.110 2.410 3.011 1.00 25.34 H new ATOM 1497 N GLU A 103 12.457 2.530 1.267 1.00 55.01 N ATOM 1498 CA GLU A 103 11.890 2.823 -0.044 1.00 74.23 C ATOM 1499 C GLU A 103 12.015 4.308 -0.372 1.00 62.11 C ATOM 1500 O GLU A 103 12.236 4.685 -1.524 1.00 32.31 O ATOM 1501 CB GLU A 103 10.420 2.401 -0.095 1.00 33.32 C ATOM 1502 CG GLU A 103 10.216 0.952 -0.504 1.00 63.41 C ATOM 1503 CD GLU A 103 11.215 0.015 0.148 1.00 42.51 C ATOM 1504 OE1 GLU A 103 11.922 -0.704 -0.589 1.00 52.22 O ATOM 1505 OE2 GLU A 103 11.290 0.002 1.394 1.00 24.32 O ATOM 0 H GLU A 103 11.807 2.650 2.044 1.00 55.01 H new ATOM 0 HA GLU A 103 12.450 2.256 -0.788 1.00 74.23 H new ATOM 0 HB2 GLU A 103 9.971 2.559 0.886 1.00 33.32 H new ATOM 0 HB3 GLU A 103 9.890 3.046 -0.796 1.00 33.32 H new ATOM 0 HG2 GLU A 103 9.206 0.642 -0.238 1.00 63.41 H new ATOM 0 HG3 GLU A 103 10.300 0.869 -1.588 1.00 63.41 H new