USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 827 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 27 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 120 SER OG : rot -54:sc= 0.918 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.799 (180deg=-0.00503) USER MOD Single : A 4 THR OG1 : rot 115:sc= 0.477 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -122:sc= -1.03 (180deg=-2.34!) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.512 F(o=-2.7!,f=-0.51) USER MOD Single : A 21 THR OG1 : rot 76:sc= 0.234 USER MOD Single : A 24 GLN : amide:sc= -0.0495 K(o=-0.049,f=-1.5) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -140:sc= -0.111 USER MOD Single : A 70 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.2) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 152:sc= 0.655 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 90:sc= -0.271 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -132:sc= -0.148 USER MOD Single : A 105 LYS NZ :NH3+ -128:sc= 0.0441 (180deg=-0.00314) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 3.543 -0.400 -0.989 1.00 31.33 C ATOM 4 O MET A 1 3.935 -0.659 0.150 1.00 40.43 O ATOM 5 CB MET A 1 2.039 1.380 -1.900 1.00 24.24 C ATOM 6 CG MET A 1 2.657 2.480 -1.052 1.00 51.53 C ATOM 7 SD MET A 1 1.453 3.292 0.017 1.00 21.21 S ATOM 8 CE MET A 1 1.457 4.948 -0.665 1.00 12.24 C ATOM 0 H1 MET A 1 0.461 -0.559 -0.126 1.00 0.00 H new ATOM 0 H2 MET A 1 1.902 -0.418 0.761 1.00 0.00 H new ATOM 0 H3 MET A 1 1.078 0.977 0.253 1.00 0.00 H new ATOM 0 HA MET A 1 1.646 -0.734 -1.914 1.00 52.33 H new ATOM 0 HB2 MET A 1 2.556 1.337 -2.859 1.00 24.24 H new ATOM 0 HB3 MET A 1 1.000 1.634 -2.109 1.00 24.24 H new ATOM 0 HG2 MET A 1 3.454 2.057 -0.440 1.00 51.53 H new ATOM 0 HG3 MET A 1 3.116 3.222 -1.705 1.00 51.53 H new ATOM 0 HE1 MET A 1 0.759 5.573 -0.108 1.00 12.24 H new ATOM 0 HE2 MET A 1 2.459 5.370 -0.591 1.00 12.24 H new ATOM 0 HE3 MET A 1 1.155 4.911 -1.712 1.00 12.24 H new ATOM 18 N ILE A 2 4.334 -0.449 -2.055 1.00 74.34 N ATOM 19 CA ILE A 2 5.740 -0.817 -1.947 1.00 10.31 C ATOM 20 C ILE A 2 6.549 0.295 -1.288 1.00 44.10 C ATOM 21 O ILE A 2 6.456 1.459 -1.677 1.00 52.25 O ATOM 22 CB ILE A 2 6.348 -1.130 -3.327 1.00 30.43 C ATOM 23 CG1 ILE A 2 5.447 -2.098 -4.097 1.00 25.41 C ATOM 24 CG2 ILE A 2 7.746 -1.710 -3.170 1.00 40.42 C ATOM 25 CD1 ILE A 2 5.306 -3.450 -3.433 1.00 30.11 C ATOM 0 H ILE A 2 4.025 -0.238 -3.004 1.00 74.34 H new ATOM 0 HA ILE A 2 5.785 -1.713 -1.328 1.00 10.31 H new ATOM 0 HB ILE A 2 6.422 -0.202 -3.895 1.00 30.43 H new ATOM 0 HG12 ILE A 2 4.459 -1.652 -4.208 1.00 25.41 H new ATOM 0 HG13 ILE A 2 5.849 -2.235 -5.101 1.00 25.41 H new ATOM 0 HG21 ILE A 2 8.163 -1.926 -4.154 1.00 40.42 H new ATOM 0 HG22 ILE A 2 8.383 -0.990 -2.656 1.00 40.42 H new ATOM 0 HG23 ILE A 2 7.695 -2.630 -2.587 1.00 40.42 H new ATOM 0 HD11 ILE A 2 4.654 -4.084 -4.034 1.00 30.11 H new ATOM 0 HD12 ILE A 2 6.287 -3.917 -3.347 1.00 30.11 H new ATOM 0 HD13 ILE A 2 4.875 -3.324 -2.440 1.00 30.11 H new ATOM 37 N ARG A 3 7.345 -0.072 -0.289 1.00 62.20 N ATOM 38 CA ARG A 3 8.172 0.894 0.424 1.00 41.02 C ATOM 39 C ARG A 3 9.650 0.533 0.310 1.00 4.12 C ATOM 40 O ARG A 3 10.485 1.380 -0.010 1.00 61.02 O ATOM 41 CB ARG A 3 7.764 0.958 1.897 1.00 53.43 C ATOM 42 CG ARG A 3 6.706 2.010 2.190 1.00 2.00 C ATOM 43 CD ARG A 3 5.317 1.525 1.807 1.00 32.11 C ATOM 44 NE ARG A 3 4.274 2.444 2.254 1.00 34.24 N ATOM 45 CZ ARG A 3 3.816 2.486 3.501 1.00 63.01 C ATOM 46 NH1 ARG A 3 4.308 1.666 4.419 1.00 22.31 N ATOM 47 NH2 ARG A 3 2.865 3.350 3.831 1.00 3.41 N ATOM 0 H ARG A 3 7.435 -1.032 0.045 1.00 62.20 H new ATOM 0 HA ARG A 3 8.018 1.872 -0.031 1.00 41.02 H new ATOM 0 HB2 ARG A 3 7.389 -0.018 2.204 1.00 53.43 H new ATOM 0 HB3 ARG A 3 8.647 1.165 2.501 1.00 53.43 H new ATOM 0 HG2 ARG A 3 6.725 2.261 3.250 1.00 2.00 H new ATOM 0 HG3 ARG A 3 6.938 2.923 1.642 1.00 2.00 H new ATOM 0 HD2 ARG A 3 5.259 1.410 0.725 1.00 32.11 H new ATOM 0 HD3 ARG A 3 5.144 0.541 2.242 1.00 32.11 H new ATOM 0 HE ARG A 3 3.875 3.089 1.572 1.00 34.24 H new ATOM 0 HH11 ARG A 3 5.040 1.001 4.169 1.00 22.31 H new ATOM 0 HH12 ARG A 3 3.955 1.700 5.375 1.00 22.31 H new ATOM 0 HH21 ARG A 3 2.485 3.983 3.127 1.00 3.41 H new ATOM 0 HH22 ARG A 3 2.514 3.381 4.788 1.00 3.41 H new ATOM 61 N THR A 4 9.968 -0.730 0.575 1.00 30.44 N ATOM 62 CA THR A 4 11.345 -1.203 0.505 1.00 73.32 C ATOM 63 C THR A 4 11.421 -2.578 -0.150 1.00 11.13 C ATOM 64 O THR A 4 10.485 -3.373 -0.056 1.00 42.11 O ATOM 65 CB THR A 4 11.986 -1.277 1.903 1.00 12.04 C ATOM 66 OG1 THR A 4 11.259 -2.196 2.728 1.00 45.54 O ATOM 67 CG2 THR A 4 12.008 0.094 2.561 1.00 10.45 C ATOM 0 H THR A 4 9.290 -1.444 0.840 1.00 30.44 H new ATOM 0 HA THR A 4 11.896 -0.483 -0.101 1.00 73.32 H new ATOM 0 HB THR A 4 13.013 -1.625 1.790 1.00 12.04 H new ATOM 0 HG1 THR A 4 11.830 -2.963 2.945 1.00 45.54 H new ATOM 0 HG21 THR A 4 12.465 0.017 3.547 1.00 10.45 H new ATOM 0 HG22 THR A 4 12.586 0.784 1.946 1.00 10.45 H new ATOM 0 HG23 THR A 4 10.988 0.466 2.662 1.00 10.45 H new ATOM 75 N ILE A 5 12.540 -2.852 -0.811 1.00 42.23 N ATOM 76 CA ILE A 5 12.738 -4.132 -1.480 1.00 1.14 C ATOM 77 C ILE A 5 14.110 -4.715 -1.156 1.00 52.43 C ATOM 78 O ILE A 5 15.089 -3.982 -1.008 1.00 14.30 O ATOM 79 CB ILE A 5 12.597 -3.997 -3.007 1.00 63.14 C ATOM 80 CG1 ILE A 5 11.228 -3.417 -3.366 1.00 13.21 C ATOM 81 CG2 ILE A 5 12.799 -5.347 -3.679 1.00 72.20 C ATOM 82 CD1 ILE A 5 11.094 -3.041 -4.825 1.00 10.51 C ATOM 0 H ILE A 5 13.324 -2.205 -0.898 1.00 42.23 H new ATOM 0 HA ILE A 5 11.964 -4.804 -1.111 1.00 1.14 H new ATOM 0 HB ILE A 5 13.366 -3.314 -3.369 1.00 63.14 H new ATOM 0 HG12 ILE A 5 10.457 -4.145 -3.115 1.00 13.21 H new ATOM 0 HG13 ILE A 5 11.045 -2.534 -2.753 1.00 13.21 H new ATOM 0 HG21 ILE A 5 12.696 -5.235 -4.758 1.00 72.20 H new ATOM 0 HG22 ILE A 5 13.795 -5.724 -3.446 1.00 72.20 H new ATOM 0 HG23 ILE A 5 12.051 -6.051 -3.314 1.00 72.20 H new ATOM 0 HD11 ILE A 5 10.098 -2.637 -5.007 1.00 10.51 H new ATOM 0 HD12 ILE A 5 11.842 -2.289 -5.077 1.00 10.51 H new ATOM 0 HD13 ILE A 5 11.245 -3.925 -5.444 1.00 10.51 H new ATOM 94 N LEU A 6 14.174 -6.037 -1.050 1.00 24.11 N ATOM 95 CA LEU A 6 15.427 -6.720 -0.746 1.00 42.01 C ATOM 96 C LEU A 6 15.698 -7.834 -1.752 1.00 31.20 C ATOM 97 O LEU A 6 14.790 -8.571 -2.137 1.00 1.43 O ATOM 98 CB LEU A 6 15.387 -7.295 0.671 1.00 73.12 C ATOM 99 CG LEU A 6 16.635 -8.053 1.123 1.00 21.32 C ATOM 100 CD1 LEU A 6 17.881 -7.210 0.902 1.00 23.10 C ATOM 101 CD2 LEU A 6 16.514 -8.456 2.586 1.00 51.32 C ATOM 0 H LEU A 6 13.374 -6.658 -1.170 1.00 24.11 H new ATOM 0 HA LEU A 6 16.235 -5.991 -0.813 1.00 42.01 H new ATOM 0 HB2 LEU A 6 15.211 -6.476 1.369 1.00 73.12 H new ATOM 0 HB3 LEU A 6 14.532 -7.967 0.745 1.00 73.12 H new ATOM 0 HG LEU A 6 16.723 -8.959 0.523 1.00 21.32 H new ATOM 0 HD11 LEU A 6 18.759 -7.766 1.230 1.00 23.10 H new ATOM 0 HD12 LEU A 6 17.976 -6.972 -0.158 1.00 23.10 H new ATOM 0 HD13 LEU A 6 17.802 -6.286 1.475 1.00 23.10 H new ATOM 0 HD21 LEU A 6 17.411 -8.995 2.890 1.00 51.32 H new ATOM 0 HD22 LEU A 6 16.400 -7.563 3.201 1.00 51.32 H new ATOM 0 HD23 LEU A 6 15.643 -9.099 2.715 1.00 51.32 H new ATOM 113 N ALA A 7 16.953 -7.953 -2.172 1.00 41.33 N ATOM 114 CA ALA A 7 17.344 -8.980 -3.130 1.00 3.31 C ATOM 115 C ALA A 7 18.625 -9.680 -2.691 1.00 24.54 C ATOM 116 O ALA A 7 19.508 -9.063 -2.095 1.00 25.15 O ATOM 117 CB ALA A 7 17.521 -8.372 -4.513 1.00 52.44 C ATOM 0 H ALA A 7 17.717 -7.351 -1.864 1.00 41.33 H new ATOM 0 HA ALA A 7 16.549 -9.725 -3.171 1.00 3.31 H new ATOM 0 HB1 ALA A 7 17.813 -9.150 -5.218 1.00 52.44 H new ATOM 0 HB2 ALA A 7 16.582 -7.923 -4.836 1.00 52.44 H new ATOM 0 HB3 ALA A 7 18.295 -7.606 -4.477 1.00 52.44 H new ATOM 123 N ILE A 8 18.720 -10.972 -2.988 1.00 35.11 N ATOM 124 CA ILE A 8 19.893 -11.756 -2.624 1.00 3.24 C ATOM 125 C ILE A 8 20.262 -12.740 -3.728 1.00 75.33 C ATOM 126 O ILE A 8 19.565 -13.731 -3.949 1.00 14.03 O ATOM 127 CB ILE A 8 19.667 -12.533 -1.313 1.00 52.13 C ATOM 128 CG1 ILE A 8 19.222 -11.581 -0.201 1.00 24.23 C ATOM 129 CG2 ILE A 8 20.934 -13.273 -0.911 1.00 13.35 C ATOM 130 CD1 ILE A 8 17.720 -11.441 -0.090 1.00 4.41 C ATOM 0 H ILE A 8 17.998 -11.498 -3.480 1.00 35.11 H new ATOM 0 HA ILE A 8 20.711 -11.050 -2.482 1.00 3.24 H new ATOM 0 HB ILE A 8 18.877 -13.267 -1.474 1.00 52.13 H new ATOM 0 HG12 ILE A 8 19.617 -11.937 0.751 1.00 24.23 H new ATOM 0 HG13 ILE A 8 19.658 -10.598 -0.379 1.00 24.23 H new ATOM 0 HG21 ILE A 8 20.759 -13.817 0.017 1.00 13.35 H new ATOM 0 HG22 ILE A 8 21.210 -13.976 -1.697 1.00 13.35 H new ATOM 0 HG23 ILE A 8 21.743 -12.557 -0.764 1.00 13.35 H new ATOM 0 HD11 ILE A 8 17.478 -10.751 0.719 1.00 4.41 H new ATOM 0 HD12 ILE A 8 17.320 -11.055 -1.028 1.00 4.41 H new ATOM 0 HD13 ILE A 8 17.278 -12.415 0.119 1.00 4.41 H new ATOM 142 N ASP A 9 21.362 -12.462 -4.419 1.00 12.34 N ATOM 143 CA ASP A 9 21.825 -13.324 -5.499 1.00 63.32 C ATOM 144 C ASP A 9 23.283 -13.721 -5.290 1.00 45.04 C ATOM 145 O ASP A 9 23.965 -13.181 -4.419 1.00 44.01 O ATOM 146 CB ASP A 9 21.663 -12.621 -6.847 1.00 43.45 C ATOM 147 CG ASP A 9 20.308 -11.958 -6.996 1.00 34.43 C ATOM 148 OD1 ASP A 9 19.285 -12.665 -6.871 1.00 40.21 O ATOM 149 OD2 ASP A 9 20.269 -10.734 -7.235 1.00 40.43 O ATOM 0 H ASP A 9 21.950 -11.646 -4.250 1.00 12.34 H new ATOM 0 HA ASP A 9 21.217 -14.228 -5.495 1.00 63.32 H new ATOM 0 HB2 ASP A 9 22.445 -11.870 -6.958 1.00 43.45 H new ATOM 0 HB3 ASP A 9 21.800 -13.345 -7.650 1.00 43.45 H new ATOM 154 N ASP A 10 23.754 -14.668 -6.094 1.00 45.23 N ATOM 155 CA ASP A 10 25.132 -15.137 -5.998 1.00 32.21 C ATOM 156 C ASP A 10 26.027 -14.402 -6.991 1.00 21.52 C ATOM 157 O ASP A 10 27.187 -14.112 -6.699 1.00 21.12 O ATOM 158 CB ASP A 10 25.198 -16.644 -6.250 1.00 64.25 C ATOM 159 CG ASP A 10 24.731 -17.453 -5.056 1.00 54.43 C ATOM 160 OD1 ASP A 10 24.567 -16.863 -3.967 1.00 41.14 O ATOM 161 OD2 ASP A 10 24.527 -18.675 -5.211 1.00 2.23 O ATOM 0 H ASP A 10 23.202 -15.126 -6.819 1.00 45.23 H new ATOM 0 HA ASP A 10 25.492 -14.929 -4.990 1.00 32.21 H new ATOM 0 HB2 ASP A 10 24.583 -16.892 -7.115 1.00 64.25 H new ATOM 0 HB3 ASP A 10 26.222 -16.924 -6.496 1.00 64.25 H new ATOM 166 N SER A 11 25.481 -14.106 -8.166 1.00 14.25 N ATOM 167 CA SER A 11 26.231 -13.409 -9.204 1.00 22.42 C ATOM 168 C SER A 11 26.134 -11.898 -9.023 1.00 0.41 C ATOM 169 O SER A 11 25.041 -11.334 -8.998 1.00 14.53 O ATOM 170 CB SER A 11 25.713 -13.803 -10.588 1.00 60.14 C ATOM 171 OG SER A 11 26.315 -13.015 -11.601 1.00 75.20 O ATOM 0 H SER A 11 24.522 -14.338 -8.423 1.00 14.25 H new ATOM 0 HA SER A 11 27.278 -13.700 -9.119 1.00 22.42 H new ATOM 0 HB2 SER A 11 25.921 -14.857 -10.771 1.00 60.14 H new ATOM 0 HB3 SER A 11 24.630 -13.681 -10.623 1.00 60.14 H new ATOM 0 HG SER A 11 25.968 -13.287 -12.476 1.00 75.20 H new ATOM 177 N ALA A 12 27.287 -11.248 -8.897 1.00 55.23 N ATOM 178 CA ALA A 12 27.333 -9.802 -8.721 1.00 12.33 C ATOM 179 C ALA A 12 26.517 -9.091 -9.795 1.00 72.02 C ATOM 180 O ALA A 12 25.876 -8.073 -9.532 1.00 11.03 O ATOM 181 CB ALA A 12 28.774 -9.313 -8.740 1.00 72.53 C ATOM 0 H ALA A 12 28.201 -11.700 -8.914 1.00 55.23 H new ATOM 0 HA ALA A 12 26.893 -9.565 -7.752 1.00 12.33 H new ATOM 0 HB1 ALA A 12 28.793 -8.231 -8.608 1.00 72.53 H new ATOM 0 HB2 ALA A 12 29.330 -9.787 -7.931 1.00 72.53 H new ATOM 0 HB3 ALA A 12 29.233 -9.570 -9.695 1.00 72.53 H new ATOM 187 N THR A 13 26.545 -9.633 -11.009 1.00 31.33 N ATOM 188 CA THR A 13 25.810 -9.050 -12.124 1.00 35.23 C ATOM 189 C THR A 13 24.319 -8.967 -11.816 1.00 11.34 C ATOM 190 O THR A 13 23.688 -7.933 -12.033 1.00 12.22 O ATOM 191 CB THR A 13 26.010 -9.864 -13.416 1.00 42.10 C ATOM 192 OG1 THR A 13 27.403 -9.930 -13.742 1.00 50.11 O ATOM 193 CG2 THR A 13 25.242 -9.241 -14.572 1.00 64.33 C ATOM 0 H THR A 13 27.069 -10.476 -11.245 1.00 31.33 H new ATOM 0 HA THR A 13 26.205 -8.045 -12.271 1.00 35.23 H new ATOM 0 HB THR A 13 25.628 -10.871 -13.248 1.00 42.10 H new ATOM 0 HG1 THR A 13 27.522 -10.451 -14.564 1.00 50.11 H new ATOM 0 HG21 THR A 13 25.398 -9.833 -15.474 1.00 64.33 H new ATOM 0 HG22 THR A 13 24.179 -9.219 -14.332 1.00 64.33 H new ATOM 0 HG23 THR A 13 25.598 -8.224 -14.739 1.00 64.33 H new ATOM 201 N MET A 14 23.762 -10.061 -11.308 1.00 22.33 N ATOM 202 CA MET A 14 22.345 -10.110 -10.968 1.00 31.12 C ATOM 203 C MET A 14 22.026 -9.150 -9.826 1.00 23.32 C ATOM 204 O MET A 14 21.086 -8.360 -9.911 1.00 2.01 O ATOM 205 CB MET A 14 21.940 -11.534 -10.581 1.00 51.20 C ATOM 206 CG MET A 14 21.522 -12.390 -11.766 1.00 13.34 C ATOM 207 SD MET A 14 22.905 -12.806 -12.845 1.00 1.34 S ATOM 208 CE MET A 14 22.893 -14.594 -12.737 1.00 10.54 C ATOM 0 H MET A 14 24.270 -10.926 -11.123 1.00 22.33 H new ATOM 0 HA MET A 14 21.776 -9.804 -11.846 1.00 31.12 H new ATOM 0 HB2 MET A 14 22.775 -12.015 -10.072 1.00 51.20 H new ATOM 0 HB3 MET A 14 21.117 -11.488 -9.868 1.00 51.20 H new ATOM 0 HG2 MET A 14 21.062 -13.308 -11.401 1.00 13.34 H new ATOM 0 HG3 MET A 14 20.763 -11.860 -12.342 1.00 13.34 H new ATOM 0 HE1 MET A 14 23.859 -14.943 -12.372 1.00 10.54 H new ATOM 0 HE2 MET A 14 22.109 -14.912 -12.049 1.00 10.54 H new ATOM 0 HE3 MET A 14 22.703 -15.017 -13.724 1.00 10.54 H new ATOM 218 N ARG A 15 22.815 -9.225 -8.759 1.00 33.14 N ATOM 219 CA ARG A 15 22.615 -8.364 -7.599 1.00 41.23 C ATOM 220 C ARG A 15 22.542 -6.898 -8.017 1.00 62.12 C ATOM 221 O ARG A 15 21.781 -6.117 -7.447 1.00 4.11 O ATOM 222 CB ARG A 15 23.747 -8.562 -6.589 1.00 52.33 C ATOM 223 CG ARG A 15 23.281 -9.119 -5.254 1.00 40.30 C ATOM 224 CD ARG A 15 24.436 -9.716 -4.466 1.00 63.21 C ATOM 225 NE ARG A 15 24.728 -8.951 -3.257 1.00 32.12 N ATOM 226 CZ ARG A 15 25.450 -7.837 -3.249 1.00 4.54 C ATOM 227 NH1 ARG A 15 25.952 -7.359 -4.379 1.00 70.43 N ATOM 228 NH2 ARG A 15 25.672 -7.197 -2.108 1.00 1.54 N ATOM 0 H ARG A 15 23.598 -9.873 -8.674 1.00 33.14 H new ATOM 0 HA ARG A 15 21.669 -8.639 -7.132 1.00 41.23 H new ATOM 0 HB2 ARG A 15 24.489 -9.237 -7.015 1.00 52.33 H new ATOM 0 HB3 ARG A 15 24.244 -7.607 -6.421 1.00 52.33 H new ATOM 0 HG2 ARG A 15 22.813 -8.326 -4.671 1.00 40.30 H new ATOM 0 HG3 ARG A 15 22.521 -9.882 -5.422 1.00 40.30 H new ATOM 0 HD2 ARG A 15 24.197 -10.744 -4.195 1.00 63.21 H new ATOM 0 HD3 ARG A 15 25.325 -9.751 -5.096 1.00 63.21 H new ATOM 0 HE ARG A 15 24.357 -9.291 -2.370 1.00 32.12 H new ATOM 0 HH11 ARG A 15 25.784 -7.847 -5.259 1.00 70.43 H new ATOM 0 HH12 ARG A 15 26.506 -6.503 -4.369 1.00 70.43 H new ATOM 0 HH21 ARG A 15 25.288 -7.561 -1.236 1.00 1.54 H new ATOM 0 HH22 ARG A 15 26.227 -6.341 -2.103 1.00 1.54 H new ATOM 242 N ALA A 16 23.339 -6.532 -9.016 1.00 23.52 N ATOM 243 CA ALA A 16 23.364 -5.162 -9.511 1.00 2.32 C ATOM 244 C ALA A 16 22.222 -4.911 -10.490 1.00 4.10 C ATOM 245 O ALA A 16 21.568 -3.868 -10.443 1.00 23.21 O ATOM 246 CB ALA A 16 24.703 -4.863 -10.170 1.00 14.21 C ATOM 0 H ALA A 16 23.976 -7.166 -9.498 1.00 23.52 H new ATOM 0 HA ALA A 16 23.233 -4.492 -8.661 1.00 2.32 H new ATOM 0 HB1 ALA A 16 24.708 -3.836 -10.535 1.00 14.21 H new ATOM 0 HB2 ALA A 16 25.504 -4.993 -9.442 1.00 14.21 H new ATOM 0 HB3 ALA A 16 24.858 -5.546 -11.005 1.00 14.21 H new ATOM 252 N LEU A 17 21.988 -5.872 -11.377 1.00 1.22 N ATOM 253 CA LEU A 17 20.925 -5.755 -12.369 1.00 12.33 C ATOM 254 C LEU A 17 19.580 -5.497 -11.697 1.00 73.12 C ATOM 255 O LEU A 17 18.953 -4.460 -11.917 1.00 15.13 O ATOM 256 CB LEU A 17 20.849 -7.026 -13.217 1.00 3.43 C ATOM 257 CG LEU A 17 20.104 -6.902 -14.546 1.00 65.14 C ATOM 258 CD1 LEU A 17 18.610 -6.747 -14.309 1.00 4.51 C ATOM 259 CD2 LEU A 17 20.643 -5.729 -15.352 1.00 62.24 C ATOM 0 H LEU A 17 22.520 -6.741 -11.430 1.00 1.22 H new ATOM 0 HA LEU A 17 21.156 -4.908 -13.015 1.00 12.33 H new ATOM 0 HB2 LEU A 17 21.865 -7.363 -13.423 1.00 3.43 H new ATOM 0 HB3 LEU A 17 20.369 -7.805 -12.625 1.00 3.43 H new ATOM 0 HG LEU A 17 20.267 -7.815 -15.118 1.00 65.14 H new ATOM 0 HD11 LEU A 17 18.097 -6.660 -15.267 1.00 4.51 H new ATOM 0 HD12 LEU A 17 18.234 -7.619 -13.774 1.00 4.51 H new ATOM 0 HD13 LEU A 17 18.427 -5.851 -13.717 1.00 4.51 H new ATOM 0 HD21 LEU A 17 20.101 -5.656 -16.295 1.00 62.24 H new ATOM 0 HD22 LEU A 17 20.511 -4.807 -14.785 1.00 62.24 H new ATOM 0 HD23 LEU A 17 21.703 -5.883 -15.554 1.00 62.24 H new ATOM 271 N LEU A 18 19.143 -6.446 -10.877 1.00 33.03 N ATOM 272 CA LEU A 18 17.872 -6.321 -10.170 1.00 64.32 C ATOM 273 C LEU A 18 17.847 -5.060 -9.313 1.00 44.44 C ATOM 274 O LEU A 18 16.812 -4.407 -9.181 1.00 52.43 O ATOM 275 CB LEU A 18 17.631 -7.552 -9.294 1.00 12.51 C ATOM 276 CG LEU A 18 17.599 -8.897 -10.020 1.00 11.02 C ATOM 277 CD1 LEU A 18 17.652 -10.043 -9.022 1.00 22.32 C ATOM 278 CD2 LEU A 18 16.356 -9.003 -10.891 1.00 61.53 C ATOM 0 H LEU A 18 19.649 -7.310 -10.685 1.00 33.03 H new ATOM 0 HA LEU A 18 17.077 -6.249 -10.912 1.00 64.32 H new ATOM 0 HB2 LEU A 18 18.411 -7.591 -8.534 1.00 12.51 H new ATOM 0 HB3 LEU A 18 16.683 -7.421 -8.771 1.00 12.51 H new ATOM 0 HG LEU A 18 18.476 -8.962 -10.664 1.00 11.02 H new ATOM 0 HD11 LEU A 18 17.628 -10.993 -9.557 1.00 22.32 H new ATOM 0 HD12 LEU A 18 18.572 -9.977 -8.441 1.00 22.32 H new ATOM 0 HD13 LEU A 18 16.794 -9.982 -8.352 1.00 22.32 H new ATOM 0 HD21 LEU A 18 16.350 -9.967 -11.400 1.00 61.53 H new ATOM 0 HD22 LEU A 18 15.466 -8.916 -10.267 1.00 61.53 H new ATOM 0 HD23 LEU A 18 16.360 -8.202 -11.630 1.00 61.53 H new ATOM 290 N HIS A 19 18.995 -4.721 -8.734 1.00 40.25 N ATOM 291 CA HIS A 19 19.106 -3.535 -7.892 1.00 54.03 C ATOM 292 C HIS A 19 18.884 -2.266 -8.709 1.00 41.35 C ATOM 293 O HIS A 19 18.262 -1.314 -8.239 1.00 51.11 O ATOM 294 CB HIS A 19 20.477 -3.489 -7.218 1.00 0.50 C ATOM 295 CG HIS A 19 20.743 -2.207 -6.490 1.00 23.12 C ATOM 296 ND1 HIS A 19 20.018 -1.555 -5.552 1.00 13.11 N flip ATOM 297 CD2 HIS A 19 21.873 -1.444 -6.698 1.00 14.41 C flip ATOM 298 CE1 HIS A 19 20.715 -0.421 -5.213 1.00 61.32 C flip ATOM 299 NE2 HIS A 19 21.831 -0.378 -5.918 1.00 21.30 N flip ATOM 0 H HIS A 19 19.861 -5.251 -8.833 1.00 40.25 H new ATOM 0 HA HIS A 19 18.334 -3.591 -7.124 1.00 54.03 H new ATOM 0 HB2 HIS A 19 20.556 -4.319 -6.516 1.00 0.50 H new ATOM 0 HB3 HIS A 19 21.249 -3.636 -7.973 1.00 0.50 H new ATOM 0 HD2 HIS A 19 22.668 -1.681 -7.390 1.00 14.41 H new ATOM 0 HE1 HIS A 19 20.401 0.316 -4.488 1.00 61.32 H new ATOM 0 HE2 HIS A 19 22.540 0.354 -5.869 1.00 21.30 H new ATOM 307 N ALA A 20 19.398 -2.259 -9.935 1.00 23.40 N ATOM 308 CA ALA A 20 19.255 -1.108 -10.817 1.00 65.14 C ATOM 309 C ALA A 20 17.843 -1.023 -11.385 1.00 33.40 C ATOM 310 O ALA A 20 17.231 0.045 -11.400 1.00 13.35 O ATOM 311 CB ALA A 20 20.276 -1.177 -11.944 1.00 73.01 C ATOM 0 H ALA A 20 19.917 -3.038 -10.339 1.00 23.40 H new ATOM 0 HA ALA A 20 19.437 -0.207 -10.230 1.00 65.14 H new ATOM 0 HB1 ALA A 20 20.158 -0.311 -12.595 1.00 73.01 H new ATOM 0 HB2 ALA A 20 21.282 -1.181 -11.524 1.00 73.01 H new ATOM 0 HB3 ALA A 20 20.120 -2.089 -12.521 1.00 73.01 H new ATOM 317 N THR A 21 17.329 -2.157 -11.853 1.00 52.31 N ATOM 318 CA THR A 21 15.989 -2.210 -12.424 1.00 12.03 C ATOM 319 C THR A 21 14.964 -1.592 -11.479 1.00 60.41 C ATOM 320 O THR A 21 14.136 -0.778 -11.891 1.00 23.42 O ATOM 321 CB THR A 21 15.570 -3.658 -12.741 1.00 25.11 C ATOM 322 OG1 THR A 21 16.700 -4.403 -13.210 1.00 2.15 O ATOM 323 CG2 THR A 21 14.468 -3.686 -13.789 1.00 3.21 C ATOM 0 H THR A 21 17.821 -3.051 -11.848 1.00 52.31 H new ATOM 0 HA THR A 21 16.018 -1.637 -13.351 1.00 12.03 H new ATOM 0 HB THR A 21 15.190 -4.111 -11.825 1.00 25.11 H new ATOM 0 HG1 THR A 21 17.278 -4.631 -12.453 1.00 2.15 H new ATOM 0 HG21 THR A 21 14.189 -4.719 -13.996 1.00 3.21 H new ATOM 0 HG22 THR A 21 13.599 -3.143 -13.418 1.00 3.21 H new ATOM 0 HG23 THR A 21 14.825 -3.216 -14.705 1.00 3.21 H new ATOM 331 N LEU A 22 15.025 -1.983 -10.211 1.00 34.21 N ATOM 332 CA LEU A 22 14.101 -1.467 -9.206 1.00 44.23 C ATOM 333 C LEU A 22 14.472 -0.042 -8.807 1.00 61.12 C ATOM 334 O LEU A 22 13.600 0.792 -8.564 1.00 64.22 O ATOM 335 CB LEU A 22 14.102 -2.371 -7.972 1.00 53.33 C ATOM 336 CG LEU A 22 13.261 -3.644 -8.073 1.00 23.22 C ATOM 337 CD1 LEU A 22 13.608 -4.603 -6.944 1.00 55.21 C ATOM 338 CD2 LEU A 22 11.778 -3.307 -8.052 1.00 55.13 C ATOM 0 H LEU A 22 15.704 -2.655 -9.854 1.00 34.21 H new ATOM 0 HA LEU A 22 13.101 -1.455 -9.639 1.00 44.23 H new ATOM 0 HB2 LEU A 22 15.132 -2.656 -7.756 1.00 53.33 H new ATOM 0 HB3 LEU A 22 13.746 -1.791 -7.121 1.00 53.33 H new ATOM 0 HG LEU A 22 13.488 -4.133 -9.021 1.00 23.22 H new ATOM 0 HD11 LEU A 22 13.000 -5.503 -7.032 1.00 55.21 H new ATOM 0 HD12 LEU A 22 14.663 -4.870 -7.005 1.00 55.21 H new ATOM 0 HD13 LEU A 22 13.410 -4.123 -5.985 1.00 55.21 H new ATOM 0 HD21 LEU A 22 11.195 -4.225 -8.125 1.00 55.13 H new ATOM 0 HD22 LEU A 22 11.534 -2.795 -7.121 1.00 55.13 H new ATOM 0 HD23 LEU A 22 11.540 -2.659 -8.895 1.00 55.13 H new ATOM 350 N ALA A 23 15.771 0.230 -8.744 1.00 4.02 N ATOM 351 CA ALA A 23 16.258 1.555 -8.379 1.00 34.23 C ATOM 352 C ALA A 23 15.739 2.615 -9.344 1.00 51.21 C ATOM 353 O ALA A 23 15.159 3.617 -8.926 1.00 35.40 O ATOM 354 CB ALA A 23 17.779 1.568 -8.345 1.00 34.03 C ATOM 0 H ALA A 23 16.506 -0.450 -8.941 1.00 4.02 H new ATOM 0 HA ALA A 23 15.882 1.792 -7.384 1.00 34.23 H new ATOM 0 HB1 ALA A 23 18.128 2.564 -8.071 1.00 34.03 H new ATOM 0 HB2 ALA A 23 18.133 0.844 -7.610 1.00 34.03 H new ATOM 0 HB3 ALA A 23 18.167 1.305 -9.329 1.00 34.03 H new ATOM 360 N GLN A 24 15.953 2.388 -10.636 1.00 50.00 N ATOM 361 CA GLN A 24 15.508 3.326 -11.660 1.00 73.20 C ATOM 362 C GLN A 24 14.007 3.574 -11.555 1.00 14.21 C ATOM 363 O GLN A 24 13.530 4.677 -11.823 1.00 20.34 O ATOM 364 CB GLN A 24 15.852 2.795 -13.052 1.00 65.45 C ATOM 365 CG GLN A 24 17.312 2.986 -13.432 1.00 70.23 C ATOM 366 CD GLN A 24 17.656 4.435 -13.717 1.00 21.53 C ATOM 367 OE1 GLN A 24 16.771 5.280 -13.850 1.00 1.35 O ATOM 368 NE2 GLN A 24 18.947 4.729 -13.812 1.00 25.14 N ATOM 0 H GLN A 24 16.431 1.563 -10.998 1.00 50.00 H new ATOM 0 HA GLN A 24 16.027 4.271 -11.501 1.00 73.20 H new ATOM 0 HB2 GLN A 24 15.609 1.733 -13.097 1.00 65.45 H new ATOM 0 HB3 GLN A 24 15.225 3.297 -13.789 1.00 65.45 H new ATOM 0 HG2 GLN A 24 17.945 2.618 -12.624 1.00 70.23 H new ATOM 0 HG3 GLN A 24 17.536 2.383 -14.312 1.00 70.23 H new ATOM 0 HE21 GLN A 24 19.647 3.996 -13.695 1.00 25.14 H new ATOM 0 HE22 GLN A 24 19.239 5.688 -14.002 1.00 25.14 H new ATOM 377 N ALA A 25 13.267 2.542 -11.164 1.00 31.31 N ATOM 378 CA ALA A 25 11.820 2.649 -11.022 1.00 22.30 C ATOM 379 C ALA A 25 11.449 3.573 -9.868 1.00 13.24 C ATOM 380 O ALA A 25 10.334 4.091 -9.808 1.00 45.32 O ATOM 381 CB ALA A 25 11.207 1.272 -10.816 1.00 72.43 C ATOM 0 H ALA A 25 13.646 1.622 -10.940 1.00 31.31 H new ATOM 0 HA ALA A 25 11.420 3.079 -11.940 1.00 22.30 H new ATOM 0 HB1 ALA A 25 10.126 1.367 -10.711 1.00 72.43 H new ATOM 0 HB2 ALA A 25 11.434 0.640 -11.675 1.00 72.43 H new ATOM 0 HB3 ALA A 25 11.621 0.821 -9.914 1.00 72.43 H new ATOM 387 N GLY A 26 12.390 3.775 -8.951 1.00 1.25 N ATOM 388 CA GLY A 26 12.141 4.637 -7.810 1.00 25.25 C ATOM 389 C GLY A 26 12.121 3.873 -6.500 1.00 53.32 C ATOM 390 O GLY A 26 12.519 4.399 -5.461 1.00 3.04 O ATOM 0 H GLY A 26 13.320 3.357 -8.978 1.00 1.25 H new ATOM 0 HA2 GLY A 26 12.910 5.408 -7.766 1.00 25.25 H new ATOM 0 HA3 GLY A 26 11.187 5.146 -7.945 1.00 25.25 H new ATOM 394 N TYR A 27 11.653 2.631 -6.549 1.00 65.12 N ATOM 395 CA TYR A 27 11.578 1.795 -5.357 1.00 2.02 C ATOM 396 C TYR A 27 12.924 1.747 -4.640 1.00 32.44 C ATOM 397 O TYR A 27 13.973 1.934 -5.254 1.00 3.51 O ATOM 398 CB TYR A 27 11.134 0.379 -5.728 1.00 44.12 C ATOM 399 CG TYR A 27 9.902 0.341 -6.604 1.00 22.23 C ATOM 400 CD1 TYR A 27 9.957 -0.179 -7.891 1.00 52.02 C ATOM 401 CD2 TYR A 27 8.684 0.825 -6.144 1.00 52.11 C ATOM 402 CE1 TYR A 27 8.834 -0.215 -8.695 1.00 71.40 C ATOM 403 CE2 TYR A 27 7.555 0.791 -6.940 1.00 45.33 C ATOM 404 CZ TYR A 27 7.636 0.270 -8.215 1.00 15.41 C ATOM 405 OH TYR A 27 6.514 0.236 -9.012 1.00 1.23 O ATOM 0 H TYR A 27 11.320 2.181 -7.401 1.00 65.12 H new ATOM 0 HA TYR A 27 10.843 2.234 -4.682 1.00 2.02 H new ATOM 0 HB2 TYR A 27 11.951 -0.126 -6.243 1.00 44.12 H new ATOM 0 HB3 TYR A 27 10.938 -0.182 -4.815 1.00 44.12 H new ATOM 0 HD1 TYR A 27 10.893 -0.562 -8.269 1.00 52.02 H new ATOM 0 HD2 TYR A 27 8.618 1.235 -5.147 1.00 52.11 H new ATOM 0 HE1 TYR A 27 8.894 -0.621 -9.694 1.00 71.40 H new ATOM 0 HE2 TYR A 27 6.615 1.170 -6.566 1.00 45.33 H new ATOM 0 HH TYR A 27 5.754 0.615 -8.523 1.00 1.23 H new ATOM 415 N GLU A 28 12.883 1.492 -3.335 1.00 41.54 N ATOM 416 CA GLU A 28 14.099 1.419 -2.534 1.00 10.33 C ATOM 417 C GLU A 28 14.563 -0.026 -2.380 1.00 20.31 C ATOM 418 O GLU A 28 14.315 -0.664 -1.357 1.00 32.33 O ATOM 419 CB GLU A 28 13.866 2.041 -1.155 1.00 53.02 C ATOM 420 CG GLU A 28 15.108 2.067 -0.281 1.00 43.11 C ATOM 421 CD GLU A 28 16.167 3.020 -0.801 1.00 0.35 C ATOM 422 OE1 GLU A 28 15.824 4.186 -1.090 1.00 3.03 O ATOM 423 OE2 GLU A 28 17.337 2.601 -0.918 1.00 43.20 O ATOM 0 H GLU A 28 12.022 1.333 -2.812 1.00 41.54 H new ATOM 0 HA GLU A 28 14.878 1.980 -3.051 1.00 10.33 H new ATOM 0 HB2 GLU A 28 13.500 3.060 -1.283 1.00 53.02 H new ATOM 0 HB3 GLU A 28 13.083 1.483 -0.642 1.00 53.02 H new ATOM 0 HG2 GLU A 28 14.829 2.357 0.732 1.00 43.11 H new ATOM 0 HG3 GLU A 28 15.527 1.062 -0.221 1.00 43.11 H new ATOM 430 N VAL A 29 15.238 -0.537 -3.405 1.00 21.23 N ATOM 431 CA VAL A 29 15.738 -1.907 -3.384 1.00 52.35 C ATOM 432 C VAL A 29 17.151 -1.968 -2.815 1.00 53.11 C ATOM 433 O VAL A 29 17.967 -1.077 -3.052 1.00 2.22 O ATOM 434 CB VAL A 29 15.737 -2.525 -4.795 1.00 64.31 C ATOM 435 CG1 VAL A 29 16.505 -1.641 -5.766 1.00 62.41 C ATOM 436 CG2 VAL A 29 16.323 -3.929 -4.761 1.00 43.31 C ATOM 0 H VAL A 29 15.451 -0.023 -4.260 1.00 21.23 H new ATOM 0 HA VAL A 29 15.067 -2.480 -2.743 1.00 52.35 H new ATOM 0 HB VAL A 29 14.706 -2.594 -5.142 1.00 64.31 H new ATOM 0 HG11 VAL A 29 16.493 -2.094 -6.757 1.00 62.41 H new ATOM 0 HG12 VAL A 29 16.037 -0.658 -5.811 1.00 62.41 H new ATOM 0 HG13 VAL A 29 17.536 -1.537 -5.427 1.00 62.41 H new ATOM 0 HG21 VAL A 29 16.315 -4.351 -5.766 1.00 43.31 H new ATOM 0 HG22 VAL A 29 17.348 -3.887 -4.394 1.00 43.31 H new ATOM 0 HG23 VAL A 29 15.726 -4.556 -4.099 1.00 43.31 H new ATOM 446 N THR A 30 17.434 -3.026 -2.062 1.00 63.43 N ATOM 447 CA THR A 30 18.748 -3.204 -1.458 1.00 24.50 C ATOM 448 C THR A 30 19.202 -4.657 -1.545 1.00 75.33 C ATOM 449 O THR A 30 18.388 -5.578 -1.461 1.00 5.11 O ATOM 450 CB THR A 30 18.752 -2.765 0.018 1.00 31.45 C ATOM 451 OG1 THR A 30 18.360 -1.392 0.122 1.00 4.11 O ATOM 452 CG2 THR A 30 20.130 -2.953 0.636 1.00 74.24 C ATOM 0 H THR A 30 16.770 -3.773 -1.856 1.00 63.43 H new ATOM 0 HA THR A 30 19.440 -2.576 -2.019 1.00 24.50 H new ATOM 0 HB THR A 30 18.041 -3.388 0.561 1.00 31.45 H new ATOM 0 HG1 THR A 30 18.364 -1.121 1.064 1.00 4.11 H new ATOM 0 HG21 THR A 30 20.107 -2.636 1.679 1.00 74.24 H new ATOM 0 HG22 THR A 30 20.412 -4.004 0.582 1.00 74.24 H new ATOM 0 HG23 THR A 30 20.858 -2.353 0.090 1.00 74.24 H new ATOM 460 N VAL A 31 20.505 -4.857 -1.714 1.00 52.14 N ATOM 461 CA VAL A 31 21.067 -6.199 -1.811 1.00 54.23 C ATOM 462 C VAL A 31 21.831 -6.567 -0.545 1.00 21.42 C ATOM 463 O VAL A 31 22.394 -5.703 0.126 1.00 21.02 O ATOM 464 CB VAL A 31 22.010 -6.326 -3.022 1.00 75.54 C ATOM 465 CG1 VAL A 31 21.230 -6.196 -4.322 1.00 62.32 C ATOM 466 CG2 VAL A 31 23.116 -5.285 -2.948 1.00 13.11 C ATOM 0 H VAL A 31 21.192 -4.106 -1.787 1.00 52.14 H new ATOM 0 HA VAL A 31 20.229 -6.885 -1.939 1.00 54.23 H new ATOM 0 HB VAL A 31 22.471 -7.314 -3.000 1.00 75.54 H new ATOM 0 HG11 VAL A 31 21.913 -6.288 -5.167 1.00 62.32 H new ATOM 0 HG12 VAL A 31 20.478 -6.983 -4.375 1.00 62.32 H new ATOM 0 HG13 VAL A 31 20.740 -5.223 -4.356 1.00 62.32 H new ATOM 0 HG21 VAL A 31 23.773 -5.390 -3.812 1.00 13.11 H new ATOM 0 HG22 VAL A 31 22.677 -4.287 -2.945 1.00 13.11 H new ATOM 0 HG23 VAL A 31 23.692 -5.431 -2.034 1.00 13.11 H new ATOM 476 N ALA A 32 21.847 -7.857 -0.224 1.00 11.11 N ATOM 477 CA ALA A 32 22.545 -8.341 0.961 1.00 54.21 C ATOM 478 C ALA A 32 23.772 -9.161 0.579 1.00 41.25 C ATOM 479 O ALA A 32 24.056 -9.357 -0.603 1.00 1.43 O ATOM 480 CB ALA A 32 21.604 -9.167 1.826 1.00 5.34 C ATOM 0 H ALA A 32 21.385 -8.585 -0.768 1.00 11.11 H new ATOM 0 HA ALA A 32 22.882 -7.476 1.533 1.00 54.21 H new ATOM 0 HB1 ALA A 32 22.138 -9.522 2.707 1.00 5.34 H new ATOM 0 HB2 ALA A 32 20.760 -8.551 2.137 1.00 5.34 H new ATOM 0 HB3 ALA A 32 21.239 -10.020 1.254 1.00 5.34 H new ATOM 486 N ALA A 33 24.497 -9.637 1.586 1.00 71.25 N ATOM 487 CA ALA A 33 25.693 -10.437 1.354 1.00 23.02 C ATOM 488 C ALA A 33 25.340 -11.905 1.142 1.00 34.12 C ATOM 489 O ALA A 33 25.976 -12.598 0.348 1.00 32.31 O ATOM 490 CB ALA A 33 26.661 -10.288 2.519 1.00 71.11 C ATOM 0 H ALA A 33 24.277 -9.482 2.570 1.00 71.25 H new ATOM 0 HA ALA A 33 26.174 -10.072 0.446 1.00 23.02 H new ATOM 0 HB1 ALA A 33 27.550 -10.891 2.333 1.00 71.11 H new ATOM 0 HB2 ALA A 33 26.947 -9.241 2.623 1.00 71.11 H new ATOM 0 HB3 ALA A 33 26.180 -10.625 3.437 1.00 71.11 H new ATOM 496 N ASP A 34 24.322 -12.373 1.857 1.00 4.11 N ATOM 497 CA ASP A 34 23.884 -13.759 1.747 1.00 71.33 C ATOM 498 C ASP A 34 22.396 -13.885 2.059 1.00 21.24 C ATOM 499 O ASP A 34 21.826 -13.052 2.762 1.00 4.43 O ATOM 500 CB ASP A 34 24.693 -14.649 2.691 1.00 23.32 C ATOM 501 CG ASP A 34 24.797 -16.078 2.194 1.00 44.44 C ATOM 502 OD1 ASP A 34 25.124 -16.269 1.003 1.00 34.33 O ATOM 503 OD2 ASP A 34 24.554 -17.004 2.995 1.00 54.32 O ATOM 0 H ASP A 34 23.785 -11.812 2.519 1.00 4.11 H new ATOM 0 HA ASP A 34 24.051 -14.086 0.721 1.00 71.33 H new ATOM 0 HB2 ASP A 34 25.694 -14.234 2.807 1.00 23.32 H new ATOM 0 HB3 ASP A 34 24.229 -14.643 3.677 1.00 23.32 H new ATOM 508 N GLY A 35 21.772 -14.934 1.531 1.00 51.41 N ATOM 509 CA GLY A 35 20.356 -15.149 1.764 1.00 53.32 C ATOM 510 C GLY A 35 20.000 -15.121 3.237 1.00 54.21 C ATOM 511 O GLY A 35 18.904 -14.703 3.609 1.00 74.03 O ATOM 0 H GLY A 35 22.222 -15.638 0.946 1.00 51.41 H new ATOM 0 HA2 GLY A 35 19.784 -14.383 1.241 1.00 53.32 H new ATOM 0 HA3 GLY A 35 20.063 -16.110 1.341 1.00 53.32 H new ATOM 515 N GLU A 36 20.928 -15.568 4.077 1.00 35.51 N ATOM 516 CA GLU A 36 20.704 -15.595 5.518 1.00 73.02 C ATOM 517 C GLU A 36 20.656 -14.180 6.087 1.00 23.02 C ATOM 518 O GLU A 36 19.751 -13.835 6.846 1.00 21.11 O ATOM 519 CB GLU A 36 21.804 -16.400 6.213 1.00 42.44 C ATOM 520 CG GLU A 36 21.769 -16.297 7.728 1.00 11.41 C ATOM 521 CD GLU A 36 20.461 -16.790 8.316 1.00 23.31 C ATOM 522 OE1 GLU A 36 19.435 -16.100 8.142 1.00 2.34 O ATOM 523 OE2 GLU A 36 20.464 -17.866 8.950 1.00 73.34 O ATOM 0 H GLU A 36 21.841 -15.916 3.785 1.00 35.51 H new ATOM 0 HA GLU A 36 19.743 -16.075 5.702 1.00 73.02 H new ATOM 0 HB2 GLU A 36 21.712 -17.448 5.926 1.00 42.44 H new ATOM 0 HB3 GLU A 36 22.775 -16.056 5.856 1.00 42.44 H new ATOM 0 HG2 GLU A 36 22.592 -16.876 8.147 1.00 11.41 H new ATOM 0 HG3 GLU A 36 21.927 -15.259 8.022 1.00 11.41 H new ATOM 530 N ALA A 37 21.638 -13.366 5.715 1.00 5.32 N ATOM 531 CA ALA A 37 21.709 -11.988 6.187 1.00 72.31 C ATOM 532 C ALA A 37 20.500 -11.185 5.718 1.00 21.24 C ATOM 533 O ALA A 37 20.010 -10.310 6.431 1.00 43.24 O ATOM 534 CB ALA A 37 22.997 -11.333 5.711 1.00 11.35 C ATOM 0 H ALA A 37 22.396 -13.637 5.088 1.00 5.32 H new ATOM 0 HA ALA A 37 21.703 -12.002 7.277 1.00 72.31 H new ATOM 0 HB1 ALA A 37 23.037 -10.305 6.071 1.00 11.35 H new ATOM 0 HB2 ALA A 37 23.852 -11.887 6.099 1.00 11.35 H new ATOM 0 HB3 ALA A 37 23.026 -11.338 4.621 1.00 11.35 H new ATOM 540 N GLY A 38 20.024 -11.489 4.515 1.00 74.12 N ATOM 541 CA GLY A 38 18.876 -10.785 3.972 1.00 64.42 C ATOM 542 C GLY A 38 17.582 -11.170 4.660 1.00 14.40 C ATOM 543 O GLY A 38 16.790 -10.305 5.037 1.00 24.05 O ATOM 0 H GLY A 38 20.412 -12.210 3.906 1.00 74.12 H new ATOM 0 HA2 GLY A 38 19.032 -9.711 4.072 1.00 64.42 H new ATOM 0 HA3 GLY A 38 18.794 -10.997 2.906 1.00 64.42 H new ATOM 547 N PHE A 39 17.363 -12.470 4.823 1.00 61.33 N ATOM 548 CA PHE A 39 16.153 -12.967 5.468 1.00 65.52 C ATOM 549 C PHE A 39 16.122 -12.574 6.942 1.00 40.13 C ATOM 550 O PHE A 39 15.114 -12.073 7.440 1.00 11.02 O ATOM 551 CB PHE A 39 16.067 -14.489 5.333 1.00 74.14 C ATOM 552 CG PHE A 39 15.120 -14.942 4.258 1.00 30.41 C ATOM 553 CD1 PHE A 39 13.802 -14.516 4.253 1.00 73.03 C ATOM 554 CD2 PHE A 39 15.548 -15.795 3.254 1.00 65.32 C ATOM 555 CE1 PHE A 39 12.928 -14.931 3.265 1.00 1.12 C ATOM 556 CE2 PHE A 39 14.680 -16.213 2.264 1.00 74.25 C ATOM 557 CZ PHE A 39 13.368 -15.782 2.270 1.00 54.51 C ATOM 0 H PHE A 39 18.008 -13.199 4.517 1.00 61.33 H new ATOM 0 HA PHE A 39 15.294 -12.515 4.971 1.00 65.52 H new ATOM 0 HB2 PHE A 39 17.061 -14.884 5.121 1.00 74.14 H new ATOM 0 HB3 PHE A 39 15.752 -14.913 6.286 1.00 74.14 H new ATOM 0 HD1 PHE A 39 13.453 -13.852 5.030 1.00 73.03 H new ATOM 0 HD2 PHE A 39 16.572 -16.137 3.245 1.00 65.32 H new ATOM 0 HE1 PHE A 39 11.903 -14.590 3.271 1.00 1.12 H new ATOM 0 HE2 PHE A 39 15.027 -16.876 1.486 1.00 74.25 H new ATOM 0 HZ PHE A 39 12.687 -16.110 1.498 1.00 54.51 H new ATOM 567 N ASP A 40 17.233 -12.805 7.633 1.00 15.12 N ATOM 568 CA ASP A 40 17.334 -12.475 9.050 1.00 53.50 C ATOM 569 C ASP A 40 16.933 -11.024 9.300 1.00 75.12 C ATOM 570 O ASP A 40 16.310 -10.707 10.314 1.00 0.22 O ATOM 571 CB ASP A 40 18.758 -12.716 9.551 1.00 23.34 C ATOM 572 CG ASP A 40 18.883 -12.535 11.051 1.00 14.24 C ATOM 573 OD1 ASP A 40 17.899 -12.817 11.767 1.00 32.33 O ATOM 574 OD2 ASP A 40 19.964 -12.111 11.510 1.00 40.04 O ATOM 0 H ASP A 40 18.076 -13.219 7.235 1.00 15.12 H new ATOM 0 HA ASP A 40 16.649 -13.122 9.598 1.00 53.50 H new ATOM 0 HB2 ASP A 40 19.068 -13.726 9.283 1.00 23.34 H new ATOM 0 HB3 ASP A 40 19.438 -12.029 9.047 1.00 23.34 H new ATOM 579 N LEU A 41 17.294 -10.147 8.370 1.00 73.35 N ATOM 580 CA LEU A 41 16.972 -8.729 8.489 1.00 64.32 C ATOM 581 C LEU A 41 15.569 -8.443 7.964 1.00 0.13 C ATOM 582 O LEU A 41 14.873 -7.564 8.472 1.00 4.10 O ATOM 583 CB LEU A 41 17.996 -7.888 7.725 1.00 63.14 C ATOM 584 CG LEU A 41 19.437 -7.960 8.232 1.00 11.44 C ATOM 585 CD1 LEU A 41 20.384 -7.291 7.248 1.00 73.22 C ATOM 586 CD2 LEU A 41 19.551 -7.315 9.606 1.00 13.11 C ATOM 0 H LEU A 41 17.810 -10.393 7.525 1.00 73.35 H new ATOM 0 HA LEU A 41 17.006 -8.461 9.545 1.00 64.32 H new ATOM 0 HB2 LEU A 41 17.984 -8.198 6.680 1.00 63.14 H new ATOM 0 HB3 LEU A 41 17.674 -6.847 7.752 1.00 63.14 H new ATOM 0 HG LEU A 41 19.719 -9.009 8.319 1.00 11.44 H new ATOM 0 HD11 LEU A 41 21.404 -7.352 7.626 1.00 73.22 H new ATOM 0 HD12 LEU A 41 20.323 -7.796 6.284 1.00 73.22 H new ATOM 0 HD13 LEU A 41 20.104 -6.244 7.128 1.00 73.22 H new ATOM 0 HD21 LEU A 41 20.583 -7.375 9.952 1.00 13.11 H new ATOM 0 HD22 LEU A 41 19.250 -6.269 9.543 1.00 13.11 H new ATOM 0 HD23 LEU A 41 18.902 -7.838 10.308 1.00 13.11 H new ATOM 598 N ALA A 42 15.159 -9.193 6.946 1.00 11.54 N ATOM 599 CA ALA A 42 13.837 -9.022 6.356 1.00 21.21 C ATOM 600 C ALA A 42 12.746 -9.117 7.417 1.00 72.41 C ATOM 601 O ALA A 42 11.659 -8.563 7.254 1.00 22.24 O ATOM 602 CB ALA A 42 13.608 -10.059 5.266 1.00 4.31 C ATOM 0 H ALA A 42 15.723 -9.924 6.513 1.00 11.54 H new ATOM 0 HA ALA A 42 13.790 -8.028 5.912 1.00 21.21 H new ATOM 0 HB1 ALA A 42 12.617 -9.920 4.834 1.00 4.31 H new ATOM 0 HB2 ALA A 42 14.363 -9.942 4.488 1.00 4.31 H new ATOM 0 HB3 ALA A 42 13.680 -11.059 5.694 1.00 4.31 H new ATOM 608 N ALA A 43 13.042 -9.824 8.503 1.00 63.35 N ATOM 609 CA ALA A 43 12.087 -9.991 9.590 1.00 15.23 C ATOM 610 C ALA A 43 12.147 -8.815 10.559 1.00 12.30 C ATOM 611 O ALA A 43 11.157 -8.484 11.214 1.00 45.04 O ATOM 612 CB ALA A 43 12.347 -11.297 10.326 1.00 14.01 C ATOM 0 H ALA A 43 13.937 -10.290 8.653 1.00 63.35 H new ATOM 0 HA ALA A 43 11.086 -10.023 9.159 1.00 15.23 H new ATOM 0 HB1 ALA A 43 11.626 -11.408 11.136 1.00 14.01 H new ATOM 0 HB2 ALA A 43 12.246 -12.132 9.633 1.00 14.01 H new ATOM 0 HB3 ALA A 43 13.356 -11.288 10.738 1.00 14.01 H new ATOM 618 N THR A 44 13.315 -8.186 10.647 1.00 53.51 N ATOM 619 CA THR A 44 13.505 -7.047 11.537 1.00 33.41 C ATOM 620 C THR A 44 13.093 -5.745 10.860 1.00 33.12 C ATOM 621 O THR A 44 12.693 -4.787 11.523 1.00 33.52 O ATOM 622 CB THR A 44 14.970 -6.932 11.997 1.00 22.41 C ATOM 623 OG1 THR A 44 15.022 -6.537 13.372 1.00 4.24 O ATOM 624 CG2 THR A 44 15.727 -5.925 11.145 1.00 3.33 C ATOM 0 H THR A 44 14.144 -8.446 10.113 1.00 53.51 H new ATOM 0 HA THR A 44 12.871 -7.217 12.407 1.00 33.41 H new ATOM 0 HB THR A 44 15.442 -7.908 11.882 1.00 22.41 H new ATOM 0 HG1 THR A 44 15.957 -6.468 13.657 1.00 4.24 H new ATOM 0 HG21 THR A 44 16.759 -5.861 11.489 1.00 3.33 H new ATOM 0 HG22 THR A 44 15.711 -6.245 10.103 1.00 3.33 H new ATOM 0 HG23 THR A 44 15.254 -4.947 11.232 1.00 3.33 H new ATOM 632 N THR A 45 13.192 -5.715 9.535 1.00 61.22 N ATOM 633 CA THR A 45 12.830 -4.530 8.768 1.00 43.02 C ATOM 634 C THR A 45 11.460 -4.691 8.120 1.00 32.41 C ATOM 635 O THR A 45 10.692 -3.735 8.023 1.00 1.50 O ATOM 636 CB THR A 45 13.871 -4.230 7.672 1.00 30.24 C ATOM 637 OG1 THR A 45 15.049 -3.666 8.258 1.00 45.52 O ATOM 638 CG2 THR A 45 13.305 -3.272 6.635 1.00 34.15 C ATOM 0 H THR A 45 13.520 -6.499 8.970 1.00 61.22 H new ATOM 0 HA THR A 45 12.801 -3.697 9.470 1.00 43.02 H new ATOM 0 HB THR A 45 14.125 -5.167 7.176 1.00 30.24 H new ATOM 0 HG1 THR A 45 15.707 -3.480 7.556 1.00 45.52 H new ATOM 0 HG21 THR A 45 14.058 -3.075 5.872 1.00 34.15 H new ATOM 0 HG22 THR A 45 12.425 -3.717 6.170 1.00 34.15 H new ATOM 0 HG23 THR A 45 13.026 -2.336 7.119 1.00 34.15 H new ATOM 646 N ALA A 46 11.159 -5.908 7.679 1.00 74.31 N ATOM 647 CA ALA A 46 9.879 -6.195 7.043 1.00 71.31 C ATOM 648 C ALA A 46 9.735 -5.433 5.730 1.00 22.00 C ATOM 649 O ALA A 46 9.001 -4.448 5.650 1.00 1.32 O ATOM 650 CB ALA A 46 8.733 -5.851 7.983 1.00 23.33 C ATOM 0 H ALA A 46 11.784 -6.711 7.750 1.00 74.31 H new ATOM 0 HA ALA A 46 9.844 -7.261 6.820 1.00 71.31 H new ATOM 0 HB1 ALA A 46 7.784 -6.070 7.495 1.00 23.33 H new ATOM 0 HB2 ALA A 46 8.819 -6.444 8.893 1.00 23.33 H new ATOM 0 HB3 ALA A 46 8.775 -4.791 8.235 1.00 23.33 H new ATOM 656 N TYR A 47 10.441 -5.894 4.703 1.00 34.34 N ATOM 657 CA TYR A 47 10.394 -5.254 3.394 1.00 12.45 C ATOM 658 C TYR A 47 9.093 -5.588 2.671 1.00 50.44 C ATOM 659 O TYR A 47 8.291 -6.389 3.150 1.00 60.52 O ATOM 660 CB TYR A 47 11.589 -5.691 2.546 1.00 2.03 C ATOM 661 CG TYR A 47 12.922 -5.237 3.098 1.00 54.41 C ATOM 662 CD1 TYR A 47 13.512 -5.894 4.170 1.00 2.03 C ATOM 663 CD2 TYR A 47 13.590 -4.150 2.548 1.00 55.42 C ATOM 664 CE1 TYR A 47 14.729 -5.482 4.678 1.00 21.12 C ATOM 665 CE2 TYR A 47 14.807 -3.732 3.048 1.00 4.33 C ATOM 666 CZ TYR A 47 15.373 -4.401 4.114 1.00 51.15 C ATOM 667 OH TYR A 47 16.585 -3.987 4.616 1.00 43.32 O ATOM 0 H TYR A 47 11.053 -6.709 4.752 1.00 34.34 H new ATOM 0 HA TYR A 47 10.439 -4.175 3.543 1.00 12.45 H new ATOM 0 HB2 TYR A 47 11.589 -6.778 2.467 1.00 2.03 H new ATOM 0 HB3 TYR A 47 11.470 -5.298 1.536 1.00 2.03 H new ATOM 0 HD1 TYR A 47 13.011 -6.741 4.614 1.00 2.03 H new ATOM 0 HD2 TYR A 47 13.149 -3.623 1.715 1.00 55.42 H new ATOM 0 HE1 TYR A 47 15.174 -6.004 5.512 1.00 21.12 H new ATOM 0 HE2 TYR A 47 15.313 -2.886 2.607 1.00 4.33 H new ATOM 0 HH TYR A 47 16.904 -3.214 4.105 1.00 43.32 H new ATOM 677 N ASP A 48 8.892 -4.967 1.513 1.00 34.14 N ATOM 678 CA ASP A 48 7.690 -5.198 0.721 1.00 74.52 C ATOM 679 C ASP A 48 7.894 -6.356 -0.251 1.00 63.23 C ATOM 680 O ASP A 48 6.963 -7.108 -0.543 1.00 40.24 O ATOM 681 CB ASP A 48 7.308 -3.932 -0.048 1.00 21.33 C ATOM 682 CG ASP A 48 6.278 -3.097 0.687 1.00 5.05 C ATOM 683 OD1 ASP A 48 5.070 -3.290 0.439 1.00 72.51 O ATOM 684 OD2 ASP A 48 6.681 -2.250 1.512 1.00 23.31 O ATOM 0 H ASP A 48 9.546 -4.300 1.103 1.00 34.14 H new ATOM 0 HA ASP A 48 6.880 -5.457 1.403 1.00 74.52 H new ATOM 0 HB2 ASP A 48 8.201 -3.332 -0.221 1.00 21.33 H new ATOM 0 HB3 ASP A 48 6.916 -4.209 -1.026 1.00 21.33 H new ATOM 689 N LEU A 49 9.118 -6.494 -0.750 1.00 53.43 N ATOM 690 CA LEU A 49 9.445 -7.560 -1.691 1.00 41.50 C ATOM 691 C LEU A 49 10.803 -8.174 -1.367 1.00 31.14 C ATOM 692 O LEU A 49 11.815 -7.475 -1.308 1.00 75.01 O ATOM 693 CB LEU A 49 9.445 -7.021 -3.123 1.00 3.33 C ATOM 694 CG LEU A 49 8.864 -7.949 -4.189 1.00 73.23 C ATOM 695 CD1 LEU A 49 8.869 -7.269 -5.549 1.00 52.05 C ATOM 696 CD2 LEU A 49 9.642 -9.256 -4.241 1.00 44.43 C ATOM 0 H LEU A 49 9.900 -5.881 -0.519 1.00 53.43 H new ATOM 0 HA LEU A 49 8.685 -8.336 -1.601 1.00 41.50 H new ATOM 0 HB2 LEU A 49 8.884 -6.087 -3.138 1.00 3.33 H new ATOM 0 HB3 LEU A 49 10.472 -6.781 -3.399 1.00 3.33 H new ATOM 0 HG LEU A 49 7.832 -8.175 -3.922 1.00 73.23 H new ATOM 0 HD11 LEU A 49 8.452 -7.945 -6.295 1.00 52.05 H new ATOM 0 HD12 LEU A 49 8.267 -6.362 -5.504 1.00 52.05 H new ATOM 0 HD13 LEU A 49 9.892 -7.012 -5.824 1.00 52.05 H new ATOM 0 HD21 LEU A 49 9.214 -9.904 -5.006 1.00 44.43 H new ATOM 0 HD22 LEU A 49 10.685 -9.049 -4.483 1.00 44.43 H new ATOM 0 HD23 LEU A 49 9.585 -9.752 -3.272 1.00 44.43 H new ATOM 708 N VAL A 50 10.818 -9.487 -1.158 1.00 40.14 N ATOM 709 CA VAL A 50 12.052 -10.197 -0.843 1.00 51.25 C ATOM 710 C VAL A 50 12.398 -11.207 -1.932 1.00 10.13 C ATOM 711 O VAL A 50 11.518 -11.871 -2.480 1.00 74.22 O ATOM 712 CB VAL A 50 11.949 -10.929 0.508 1.00 72.45 C ATOM 713 CG1 VAL A 50 13.292 -11.530 0.893 1.00 10.24 C ATOM 714 CG2 VAL A 50 11.448 -9.984 1.589 1.00 53.02 C ATOM 0 H VAL A 50 9.989 -10.080 -1.201 1.00 40.14 H new ATOM 0 HA VAL A 50 12.842 -9.448 -0.782 1.00 51.25 H new ATOM 0 HB VAL A 50 11.230 -11.742 0.407 1.00 72.45 H new ATOM 0 HG11 VAL A 50 13.200 -12.043 1.850 1.00 10.24 H new ATOM 0 HG12 VAL A 50 13.605 -12.241 0.129 1.00 10.24 H new ATOM 0 HG13 VAL A 50 14.035 -10.737 0.977 1.00 10.24 H new ATOM 0 HG21 VAL A 50 11.381 -10.518 2.537 1.00 53.02 H new ATOM 0 HG22 VAL A 50 12.140 -9.148 1.691 1.00 53.02 H new ATOM 0 HG23 VAL A 50 10.463 -9.607 1.315 1.00 53.02 H new ATOM 724 N LEU A 51 13.685 -11.318 -2.240 1.00 24.33 N ATOM 725 CA LEU A 51 14.149 -12.249 -3.263 1.00 44.31 C ATOM 726 C LEU A 51 15.365 -13.032 -2.776 1.00 55.24 C ATOM 727 O LEU A 51 16.454 -12.478 -2.625 1.00 63.30 O ATOM 728 CB LEU A 51 14.496 -11.494 -4.547 1.00 40.44 C ATOM 729 CG LEU A 51 13.513 -10.401 -4.970 1.00 21.13 C ATOM 730 CD1 LEU A 51 14.144 -9.488 -6.010 1.00 22.24 C ATOM 731 CD2 LEU A 51 12.229 -11.017 -5.507 1.00 24.02 C ATOM 0 H LEU A 51 14.426 -10.775 -1.796 1.00 24.33 H new ATOM 0 HA LEU A 51 13.344 -12.955 -3.469 1.00 44.31 H new ATOM 0 HB2 LEU A 51 15.480 -11.042 -4.424 1.00 40.44 H new ATOM 0 HB3 LEU A 51 14.576 -12.217 -5.359 1.00 40.44 H new ATOM 0 HG LEU A 51 13.266 -9.802 -4.093 1.00 21.13 H new ATOM 0 HD11 LEU A 51 13.430 -8.717 -6.299 1.00 22.24 H new ATOM 0 HD12 LEU A 51 15.034 -9.019 -5.591 1.00 22.24 H new ATOM 0 HD13 LEU A 51 14.421 -10.073 -6.887 1.00 22.24 H new ATOM 0 HD21 LEU A 51 11.541 -10.225 -5.803 1.00 24.02 H new ATOM 0 HD22 LEU A 51 12.458 -11.640 -6.371 1.00 24.02 H new ATOM 0 HD23 LEU A 51 11.766 -11.628 -4.732 1.00 24.02 H new ATOM 743 N THR A 52 15.171 -14.325 -2.534 1.00 50.32 N ATOM 744 CA THR A 52 16.251 -15.185 -2.066 1.00 15.51 C ATOM 745 C THR A 52 16.759 -16.087 -3.184 1.00 74.50 C ATOM 746 O THR A 52 16.077 -16.290 -4.189 1.00 43.13 O ATOM 747 CB THR A 52 15.799 -16.059 -0.881 1.00 14.31 C ATOM 748 OG1 THR A 52 16.905 -16.821 -0.384 1.00 54.44 O ATOM 749 CG2 THR A 52 14.676 -16.997 -1.298 1.00 22.13 C ATOM 0 H THR A 52 14.276 -14.799 -2.654 1.00 50.32 H new ATOM 0 HA THR A 52 17.058 -14.530 -1.738 1.00 15.51 H new ATOM 0 HB THR A 52 15.429 -15.402 -0.094 1.00 14.31 H new ATOM 0 HG1 THR A 52 16.603 -17.725 -0.154 1.00 54.44 H new ATOM 0 HG21 THR A 52 14.373 -17.604 -0.445 1.00 22.13 H new ATOM 0 HG22 THR A 52 13.825 -16.413 -1.648 1.00 22.13 H new ATOM 0 HG23 THR A 52 15.024 -17.647 -2.101 1.00 22.13 H new ATOM 757 N ASP A 53 17.958 -16.628 -3.002 1.00 63.23 N ATOM 758 CA ASP A 53 18.557 -17.512 -3.996 1.00 1.11 C ATOM 759 C ASP A 53 19.404 -18.589 -3.325 1.00 43.31 C ATOM 760 O ASP A 53 20.145 -18.310 -2.383 1.00 23.43 O ATOM 761 CB ASP A 53 19.414 -16.707 -4.975 1.00 31.53 C ATOM 762 CG ASP A 53 20.811 -16.451 -4.446 1.00 23.34 C ATOM 763 OD1 ASP A 53 20.934 -15.981 -3.295 1.00 55.41 O ATOM 764 OD2 ASP A 53 21.783 -16.722 -5.182 1.00 31.24 O ATOM 0 H ASP A 53 18.535 -16.470 -2.176 1.00 63.23 H new ATOM 0 HA ASP A 53 17.752 -17.999 -4.546 1.00 1.11 H new ATOM 0 HB2 ASP A 53 19.480 -17.243 -5.922 1.00 31.53 H new ATOM 0 HB3 ASP A 53 18.927 -15.754 -5.182 1.00 31.53 H new ATOM 895 N LEU A 62 16.766 -19.671 5.667 1.00 31.43 N ATOM 896 CA LEU A 62 15.518 -19.772 4.918 1.00 43.11 C ATOM 897 C LEU A 62 14.371 -20.201 5.826 1.00 15.22 C ATOM 898 O LEU A 62 13.229 -19.782 5.639 1.00 11.50 O ATOM 899 CB LEU A 62 15.671 -20.767 3.766 1.00 42.52 C ATOM 900 CG LEU A 62 16.814 -20.491 2.788 1.00 1.31 C ATOM 901 CD1 LEU A 62 16.767 -21.467 1.623 1.00 24.33 C ATOM 902 CD2 LEU A 62 16.752 -19.056 2.286 1.00 11.51 C ATOM 0 HA LEU A 62 15.286 -18.787 4.512 1.00 43.11 H new ATOM 0 HB2 LEU A 62 15.813 -21.762 4.188 1.00 42.52 H new ATOM 0 HB3 LEU A 62 14.737 -20.789 3.205 1.00 42.52 H new ATOM 0 HG LEU A 62 17.758 -20.630 3.314 1.00 1.31 H new ATOM 0 HD11 LEU A 62 17.588 -21.255 0.938 1.00 24.33 H new ATOM 0 HD12 LEU A 62 16.861 -22.486 1.998 1.00 24.33 H new ATOM 0 HD13 LEU A 62 15.818 -21.360 1.097 1.00 24.33 H new ATOM 0 HD21 LEU A 62 17.573 -18.878 1.591 1.00 11.51 H new ATOM 0 HD22 LEU A 62 15.803 -18.889 1.777 1.00 11.51 H new ATOM 0 HD23 LEU A 62 16.836 -18.371 3.130 1.00 11.51 H new ATOM 914 N GLU A 63 14.683 -21.037 6.811 1.00 31.13 N ATOM 915 CA GLU A 63 13.677 -21.521 7.749 1.00 31.14 C ATOM 916 C GLU A 63 12.876 -20.361 8.335 1.00 60.44 C ATOM 917 O GLU A 63 11.693 -20.504 8.647 1.00 41.11 O ATOM 918 CB GLU A 63 14.339 -22.318 8.876 1.00 50.34 C ATOM 919 CG GLU A 63 14.486 -23.798 8.569 1.00 62.54 C ATOM 920 CD GLU A 63 15.270 -24.540 9.634 1.00 41.00 C ATOM 921 OE1 GLU A 63 14.638 -25.082 10.565 1.00 3.11 O ATOM 922 OE2 GLU A 63 16.514 -24.578 9.537 1.00 24.30 O ATOM 0 H GLU A 63 15.624 -21.393 6.980 1.00 31.13 H new ATOM 0 HA GLU A 63 12.994 -22.173 7.204 1.00 31.14 H new ATOM 0 HB2 GLU A 63 15.324 -21.898 9.077 1.00 50.34 H new ATOM 0 HB3 GLU A 63 13.751 -22.201 9.786 1.00 50.34 H new ATOM 0 HG2 GLU A 63 13.497 -24.245 8.474 1.00 62.54 H new ATOM 0 HG3 GLU A 63 14.984 -23.918 7.607 1.00 62.54 H new ATOM 929 N LEU A 64 13.529 -19.214 8.481 1.00 40.11 N ATOM 930 CA LEU A 64 12.879 -18.028 9.029 1.00 22.41 C ATOM 931 C LEU A 64 11.561 -17.750 8.314 1.00 41.02 C ATOM 932 O LEU A 64 10.611 -17.249 8.916 1.00 51.13 O ATOM 933 CB LEU A 64 13.803 -16.815 8.910 1.00 23.12 C ATOM 934 CG LEU A 64 13.282 -15.512 9.517 1.00 74.03 C ATOM 935 CD1 LEU A 64 13.474 -15.511 11.025 1.00 3.42 C ATOM 936 CD2 LEU A 64 13.978 -14.314 8.887 1.00 31.41 C ATOM 0 H LEU A 64 14.508 -19.079 8.228 1.00 40.11 H new ATOM 0 HA LEU A 64 12.667 -18.214 10.082 1.00 22.41 H new ATOM 0 HB2 LEU A 64 14.753 -17.059 9.385 1.00 23.12 H new ATOM 0 HB3 LEU A 64 14.010 -16.643 7.854 1.00 23.12 H new ATOM 0 HG LEU A 64 12.215 -15.438 9.308 1.00 74.03 H new ATOM 0 HD11 LEU A 64 13.097 -14.576 11.439 1.00 3.42 H new ATOM 0 HD12 LEU A 64 12.928 -16.347 11.462 1.00 3.42 H new ATOM 0 HD13 LEU A 64 14.535 -15.609 11.257 1.00 3.42 H new ATOM 0 HD21 LEU A 64 13.595 -13.395 9.331 1.00 31.41 H new ATOM 0 HD22 LEU A 64 15.051 -14.382 9.064 1.00 31.41 H new ATOM 0 HD23 LEU A 64 13.787 -14.305 7.814 1.00 31.41 H new ATOM 948 N ILE A 65 11.511 -18.080 7.028 1.00 53.13 N ATOM 949 CA ILE A 65 10.308 -17.868 6.232 1.00 60.41 C ATOM 950 C ILE A 65 9.079 -18.438 6.932 1.00 54.33 C ATOM 951 O ILE A 65 7.987 -17.877 6.843 1.00 35.54 O ATOM 952 CB ILE A 65 10.435 -18.511 4.838 1.00 1.00 C ATOM 953 CG1 ILE A 65 11.633 -17.923 4.089 1.00 74.23 C ATOM 954 CG2 ILE A 65 9.154 -18.308 4.043 1.00 62.24 C ATOM 955 CD1 ILE A 65 12.145 -18.812 2.977 1.00 50.32 C ATOM 0 H ILE A 65 12.289 -18.495 6.515 1.00 53.13 H new ATOM 0 HA ILE A 65 10.191 -16.790 6.117 1.00 60.41 H new ATOM 0 HB ILE A 65 10.597 -19.582 4.961 1.00 1.00 H new ATOM 0 HG12 ILE A 65 11.351 -16.957 3.670 1.00 74.23 H new ATOM 0 HG13 ILE A 65 12.440 -17.740 4.798 1.00 74.23 H new ATOM 0 HG21 ILE A 65 9.259 -18.768 3.060 1.00 62.24 H new ATOM 0 HG22 ILE A 65 8.320 -18.769 4.572 1.00 62.24 H new ATOM 0 HG23 ILE A 65 8.964 -17.241 3.926 1.00 62.24 H new ATOM 0 HD11 ILE A 65 12.994 -18.333 2.490 1.00 50.32 H new ATOM 0 HD12 ILE A 65 12.458 -19.770 3.392 1.00 50.32 H new ATOM 0 HD13 ILE A 65 11.352 -18.975 2.247 1.00 50.32 H new ATOM 967 N ALA A 66 9.265 -19.554 7.628 1.00 10.15 N ATOM 968 CA ALA A 66 8.172 -20.197 8.347 1.00 22.31 C ATOM 969 C ALA A 66 7.582 -19.264 9.399 1.00 24.32 C ATOM 970 O ALA A 66 6.368 -19.074 9.463 1.00 23.45 O ATOM 971 CB ALA A 66 8.653 -21.488 8.994 1.00 42.04 C ATOM 0 H ALA A 66 10.162 -20.032 7.709 1.00 10.15 H new ATOM 0 HA ALA A 66 7.387 -20.434 7.628 1.00 22.31 H new ATOM 0 HB1 ALA A 66 7.827 -21.958 9.527 1.00 42.04 H new ATOM 0 HB2 ALA A 66 9.020 -22.166 8.224 1.00 42.04 H new ATOM 0 HB3 ALA A 66 9.458 -21.266 9.695 1.00 42.04 H new ATOM 977 N ALA A 67 8.450 -18.685 10.223 1.00 50.14 N ATOM 978 CA ALA A 67 8.015 -17.771 11.271 1.00 14.40 C ATOM 979 C ALA A 67 7.313 -16.552 10.681 1.00 74.55 C ATOM 980 O ALA A 67 6.384 -16.008 11.279 1.00 53.24 O ATOM 981 CB ALA A 67 9.201 -17.339 12.121 1.00 54.55 C ATOM 0 H ALA A 67 9.458 -18.833 10.184 1.00 50.14 H new ATOM 0 HA ALA A 67 7.301 -18.298 11.904 1.00 14.40 H new ATOM 0 HB1 ALA A 67 8.861 -16.656 12.900 1.00 54.55 H new ATOM 0 HB2 ALA A 67 9.658 -18.215 12.581 1.00 54.55 H new ATOM 0 HB3 ALA A 67 9.935 -16.835 11.492 1.00 54.55 H new ATOM 987 N LEU A 68 7.762 -16.129 9.504 1.00 2.15 N ATOM 988 CA LEU A 68 7.177 -14.974 8.833 1.00 43.43 C ATOM 989 C LEU A 68 5.835 -15.332 8.203 1.00 41.13 C ATOM 990 O LEU A 68 4.916 -14.513 8.168 1.00 22.31 O ATOM 991 CB LEU A 68 8.132 -14.445 7.761 1.00 52.22 C ATOM 992 CG LEU A 68 9.566 -14.172 8.215 1.00 42.21 C ATOM 993 CD1 LEU A 68 10.533 -14.329 7.052 1.00 64.31 C ATOM 994 CD2 LEU A 68 9.678 -12.780 8.820 1.00 44.14 C ATOM 0 H LEU A 68 8.529 -16.569 8.995 1.00 2.15 H new ATOM 0 HA LEU A 68 7.011 -14.197 9.579 1.00 43.43 H new ATOM 0 HB2 LEU A 68 8.162 -15.164 6.943 1.00 52.22 H new ATOM 0 HB3 LEU A 68 7.718 -13.521 7.358 1.00 52.22 H new ATOM 0 HG LEU A 68 9.829 -14.902 8.981 1.00 42.21 H new ATOM 0 HD11 LEU A 68 11.549 -14.131 7.394 1.00 64.31 H new ATOM 0 HD12 LEU A 68 10.473 -15.346 6.663 1.00 64.31 H new ATOM 0 HD13 LEU A 68 10.272 -13.623 6.264 1.00 64.31 H new ATOM 0 HD21 LEU A 68 10.706 -12.603 9.138 1.00 44.14 H new ATOM 0 HD22 LEU A 68 9.395 -12.036 8.076 1.00 44.14 H new ATOM 0 HD23 LEU A 68 9.014 -12.703 9.681 1.00 44.14 H new ATOM 1006 N ARG A 69 5.729 -16.561 7.708 1.00 51.44 N ATOM 1007 CA ARG A 69 4.499 -17.028 7.080 1.00 52.32 C ATOM 1008 C ARG A 69 3.379 -17.158 8.108 1.00 10.42 C ATOM 1009 O ARG A 69 2.274 -16.658 7.902 1.00 54.32 O ATOM 1010 CB ARG A 69 4.732 -18.374 6.391 1.00 53.40 C ATOM 1011 CG ARG A 69 3.475 -18.970 5.778 1.00 0.32 C ATOM 1012 CD ARG A 69 2.971 -18.132 4.614 1.00 45.44 C ATOM 1013 NE ARG A 69 1.515 -18.152 4.514 1.00 34.10 N ATOM 1014 CZ ARG A 69 0.845 -17.727 3.449 1.00 73.04 C ATOM 1015 NH1 ARG A 69 1.498 -17.251 2.397 1.00 34.23 N ATOM 1016 NH2 ARG A 69 -0.481 -17.778 3.433 1.00 11.12 N ATOM 0 H ARG A 69 6.480 -17.251 7.730 1.00 51.44 H new ATOM 0 HA ARG A 69 4.200 -16.292 6.333 1.00 52.32 H new ATOM 0 HB2 ARG A 69 5.482 -18.248 5.610 1.00 53.40 H new ATOM 0 HB3 ARG A 69 5.141 -19.078 7.116 1.00 53.40 H new ATOM 0 HG2 ARG A 69 3.682 -19.984 5.435 1.00 0.32 H new ATOM 0 HG3 ARG A 69 2.698 -19.043 6.538 1.00 0.32 H new ATOM 0 HD2 ARG A 69 3.312 -17.104 4.734 1.00 45.44 H new ATOM 0 HD3 ARG A 69 3.403 -18.505 3.685 1.00 45.44 H new ATOM 0 HE ARG A 69 0.983 -18.512 5.306 1.00 34.10 H new ATOM 0 HH11 ARG A 69 2.517 -17.211 2.405 1.00 34.23 H new ATOM 0 HH12 ARG A 69 0.981 -16.925 1.580 1.00 34.23 H new ATOM 0 HH21 ARG A 69 -0.987 -18.144 4.239 1.00 11.12 H new ATOM 0 HH22 ARG A 69 -0.994 -17.451 2.614 1.00 11.12 H new ATOM 1030 N GLN A 70 3.674 -17.832 9.215 1.00 61.23 N ATOM 1031 CA GLN A 70 2.692 -18.029 10.274 1.00 15.50 C ATOM 1032 C GLN A 70 2.144 -16.692 10.763 1.00 1.23 C ATOM 1033 O GLN A 70 0.966 -16.579 11.104 1.00 53.44 O ATOM 1034 CB GLN A 70 3.315 -18.796 11.441 1.00 2.32 C ATOM 1035 CG GLN A 70 4.564 -18.137 12.004 1.00 2.01 C ATOM 1036 CD GLN A 70 5.194 -18.941 13.124 1.00 21.41 C ATOM 1037 OE1 GLN A 70 5.131 -18.556 14.292 1.00 63.21 O ATOM 1038 NE2 GLN A 70 5.806 -20.067 12.773 1.00 10.44 N ATOM 0 H GLN A 70 4.585 -18.251 9.402 1.00 61.23 H new ATOM 0 HA GLN A 70 1.867 -18.612 9.866 1.00 15.50 H new ATOM 0 HB2 GLN A 70 2.576 -18.894 12.236 1.00 2.32 H new ATOM 0 HB3 GLN A 70 3.564 -19.805 11.111 1.00 2.32 H new ATOM 0 HG2 GLN A 70 5.292 -18.004 11.204 1.00 2.01 H new ATOM 0 HG3 GLN A 70 4.311 -17.143 12.373 1.00 2.01 H new ATOM 0 HE21 GLN A 70 5.834 -20.348 11.793 1.00 10.44 H new ATOM 0 HE22 GLN A 70 6.248 -20.650 13.484 1.00 10.44 H new ATOM 1047 N LEU A 71 3.006 -15.682 10.797 1.00 43.34 N ATOM 1048 CA LEU A 71 2.609 -14.351 11.245 1.00 63.41 C ATOM 1049 C LEU A 71 1.721 -13.670 10.209 1.00 34.50 C ATOM 1050 O LEU A 71 1.786 -13.982 9.020 1.00 55.11 O ATOM 1051 CB LEU A 71 3.846 -13.493 11.516 1.00 40.01 C ATOM 1052 CG LEU A 71 4.259 -13.354 12.982 1.00 72.43 C ATOM 1053 CD1 LEU A 71 4.401 -14.724 13.628 1.00 44.32 C ATOM 1054 CD2 LEU A 71 5.557 -12.570 13.098 1.00 5.22 C ATOM 0 H LEU A 71 3.985 -15.759 10.520 1.00 43.34 H new ATOM 0 HA LEU A 71 2.040 -14.460 12.168 1.00 63.41 H new ATOM 0 HB2 LEU A 71 4.684 -13.915 10.962 1.00 40.01 H new ATOM 0 HB3 LEU A 71 3.667 -12.496 11.114 1.00 40.01 H new ATOM 0 HG LEU A 71 3.479 -12.805 13.510 1.00 72.43 H new ATOM 0 HD11 LEU A 71 4.695 -14.606 14.671 1.00 44.32 H new ATOM 0 HD12 LEU A 71 3.448 -15.251 13.577 1.00 44.32 H new ATOM 0 HD13 LEU A 71 5.162 -15.299 13.099 1.00 44.32 H new ATOM 0 HD21 LEU A 71 5.836 -12.481 14.148 1.00 5.22 H new ATOM 0 HD22 LEU A 71 6.346 -13.091 12.556 1.00 5.22 H new ATOM 0 HD23 LEU A 71 5.421 -11.575 12.673 1.00 5.22 H new ATOM 1066 N SER A 72 0.892 -12.738 10.669 1.00 64.03 N ATOM 1067 CA SER A 72 -0.011 -12.014 9.782 1.00 2.53 C ATOM 1068 C SER A 72 0.601 -10.684 9.352 1.00 43.03 C ATOM 1069 O SER A 72 -0.103 -9.689 9.184 1.00 75.23 O ATOM 1070 CB SER A 72 -1.353 -11.770 10.475 1.00 3.53 C ATOM 1071 OG SER A 72 -2.412 -11.725 9.535 1.00 43.53 O ATOM 0 H SER A 72 0.827 -12.467 11.650 1.00 64.03 H new ATOM 0 HA SER A 72 -0.174 -12.624 8.893 1.00 2.53 H new ATOM 0 HB2 SER A 72 -1.540 -12.561 11.201 1.00 3.53 H new ATOM 0 HB3 SER A 72 -1.314 -10.832 11.029 1.00 3.53 H new ATOM 0 HG SER A 72 -3.259 -11.570 10.003 1.00 43.53 H new ATOM 1077 N ALA A 73 1.918 -10.676 9.175 1.00 44.21 N ATOM 1078 CA ALA A 73 2.626 -9.470 8.762 1.00 23.42 C ATOM 1079 C ALA A 73 3.381 -9.697 7.456 1.00 14.33 C ATOM 1080 O ALA A 73 3.533 -8.779 6.649 1.00 30.42 O ATOM 1081 CB ALA A 73 3.584 -9.020 9.856 1.00 73.04 C ATOM 0 H ALA A 73 2.516 -11.491 9.311 1.00 44.21 H new ATOM 0 HA ALA A 73 1.889 -8.685 8.594 1.00 23.42 H new ATOM 0 HB1 ALA A 73 4.106 -8.119 9.534 1.00 73.04 H new ATOM 0 HB2 ALA A 73 3.023 -8.809 10.767 1.00 73.04 H new ATOM 0 HB3 ALA A 73 4.310 -9.809 10.051 1.00 73.04 H new ATOM 1087 N TYR A 74 3.851 -10.922 7.255 1.00 21.52 N ATOM 1088 CA TYR A 74 4.593 -11.268 6.048 1.00 34.13 C ATOM 1089 C TYR A 74 3.792 -12.227 5.173 1.00 55.24 C ATOM 1090 O TYR A 74 3.993 -12.294 3.960 1.00 3.45 O ATOM 1091 CB TYR A 74 5.938 -11.897 6.414 1.00 42.03 C ATOM 1092 CG TYR A 74 6.688 -11.142 7.488 1.00 14.12 C ATOM 1093 CD1 TYR A 74 6.362 -11.298 8.830 1.00 54.11 C ATOM 1094 CD2 TYR A 74 7.721 -10.272 7.162 1.00 74.10 C ATOM 1095 CE1 TYR A 74 7.043 -10.610 9.815 1.00 11.32 C ATOM 1096 CE2 TYR A 74 8.408 -9.581 8.141 1.00 43.14 C ATOM 1097 CZ TYR A 74 8.066 -9.753 9.466 1.00 53.15 C ATOM 1098 OH TYR A 74 8.747 -9.065 10.443 1.00 24.12 O ATOM 0 H TYR A 74 3.732 -11.693 7.912 1.00 21.52 H new ATOM 0 HA TYR A 74 4.769 -10.352 5.485 1.00 34.13 H new ATOM 0 HB2 TYR A 74 5.771 -12.920 6.750 1.00 42.03 H new ATOM 0 HB3 TYR A 74 6.559 -11.952 5.520 1.00 42.03 H new ATOM 0 HD1 TYR A 74 5.562 -11.969 9.107 1.00 54.11 H new ATOM 0 HD2 TYR A 74 7.991 -10.134 6.126 1.00 74.10 H new ATOM 0 HE1 TYR A 74 6.776 -10.742 10.853 1.00 11.32 H new ATOM 0 HE2 TYR A 74 9.209 -8.909 7.870 1.00 43.14 H new ATOM 0 HH TYR A 74 9.658 -8.877 10.136 1.00 24.12 H new ATOM 1108 N ALA A 75 2.881 -12.967 5.796 1.00 21.15 N ATOM 1109 CA ALA A 75 2.047 -13.920 5.075 1.00 30.43 C ATOM 1110 C ALA A 75 1.447 -13.288 3.824 1.00 60.20 C ATOM 1111 O ALA A 75 1.305 -13.945 2.792 1.00 5.32 O ATOM 1112 CB ALA A 75 0.945 -14.449 5.982 1.00 64.32 C ATOM 0 H ALA A 75 2.702 -12.925 6.799 1.00 21.15 H new ATOM 0 HA ALA A 75 2.677 -14.753 4.763 1.00 30.43 H new ATOM 0 HB1 ALA A 75 0.330 -15.160 5.430 1.00 64.32 H new ATOM 0 HB2 ALA A 75 1.390 -14.947 6.843 1.00 64.32 H new ATOM 0 HB3 ALA A 75 0.325 -13.620 6.323 1.00 64.32 H new ATOM 1118 N ASP A 76 1.096 -12.011 3.923 1.00 54.04 N ATOM 1119 CA ASP A 76 0.511 -11.290 2.798 1.00 12.21 C ATOM 1120 C ASP A 76 1.597 -10.778 1.857 1.00 71.12 C ATOM 1121 O ASP A 76 1.408 -10.730 0.641 1.00 63.33 O ATOM 1122 CB ASP A 76 -0.338 -10.121 3.300 1.00 34.12 C ATOM 1123 CG ASP A 76 -1.784 -10.514 3.533 1.00 21.05 C ATOM 1124 OD1 ASP A 76 -2.401 -9.976 4.477 1.00 43.42 O ATOM 1125 OD2 ASP A 76 -2.299 -11.359 2.772 1.00 22.22 O ATOM 0 H ASP A 76 1.206 -11.454 4.770 1.00 54.04 H new ATOM 0 HA ASP A 76 -0.126 -11.982 2.247 1.00 12.21 H new ATOM 0 HB2 ASP A 76 0.086 -9.740 4.229 1.00 34.12 H new ATOM 0 HB3 ASP A 76 -0.298 -9.308 2.575 1.00 34.12 H new ATOM 1130 N THR A 77 2.735 -10.395 2.427 1.00 0.12 N ATOM 1131 CA THR A 77 3.850 -9.885 1.640 1.00 4.41 C ATOM 1132 C THR A 77 4.297 -10.901 0.596 1.00 61.22 C ATOM 1133 O THR A 77 4.460 -12.088 0.880 1.00 44.02 O ATOM 1134 CB THR A 77 5.051 -9.524 2.535 1.00 11.22 C ATOM 1135 OG1 THR A 77 4.660 -8.551 3.510 1.00 0.15 O ATOM 1136 CG2 THR A 77 6.203 -8.980 1.703 1.00 75.41 C ATOM 0 H THR A 77 2.908 -10.429 3.432 1.00 0.12 H new ATOM 0 HA THR A 77 3.496 -8.984 1.138 1.00 4.41 H new ATOM 0 HB THR A 77 5.385 -10.431 3.040 1.00 11.22 H new ATOM 0 HG1 THR A 77 5.428 -8.328 4.076 1.00 0.15 H new ATOM 0 HG21 THR A 77 7.039 -8.732 2.357 1.00 75.41 H new ATOM 0 HG22 THR A 77 6.518 -9.733 0.981 1.00 75.41 H new ATOM 0 HG23 THR A 77 5.878 -8.084 1.174 1.00 75.41 H new ATOM 1144 N PRO A 78 4.501 -10.428 -0.643 1.00 33.04 N ATOM 1145 CA PRO A 78 4.933 -11.280 -1.754 1.00 71.05 C ATOM 1146 C PRO A 78 6.372 -11.756 -1.594 1.00 65.51 C ATOM 1147 O PRO A 78 7.263 -10.972 -1.265 1.00 53.23 O ATOM 1148 CB PRO A 78 4.806 -10.364 -2.974 1.00 14.41 C ATOM 1149 CG PRO A 78 4.936 -8.984 -2.426 1.00 72.23 C ATOM 1150 CD PRO A 78 4.325 -9.025 -1.053 1.00 3.32 C ATOM 0 HA PRO A 78 4.338 -12.191 -1.824 1.00 71.05 H new ATOM 0 HB2 PRO A 78 5.583 -10.573 -3.709 1.00 14.41 H new ATOM 0 HB3 PRO A 78 3.848 -10.502 -3.475 1.00 14.41 H new ATOM 0 HG2 PRO A 78 5.982 -8.680 -2.379 1.00 72.23 H new ATOM 0 HG3 PRO A 78 4.422 -8.262 -3.061 1.00 72.23 H new ATOM 0 HD2 PRO A 78 4.827 -8.341 -0.369 1.00 3.32 H new ATOM 0 HD3 PRO A 78 3.273 -8.741 -1.073 1.00 3.32 H new ATOM 1158 N ILE A 79 6.594 -13.045 -1.829 1.00 32.54 N ATOM 1159 CA ILE A 79 7.926 -13.625 -1.711 1.00 41.04 C ATOM 1160 C ILE A 79 8.283 -14.438 -2.951 1.00 33.51 C ATOM 1161 O ILE A 79 7.525 -15.313 -3.372 1.00 73.32 O ATOM 1162 CB ILE A 79 8.040 -14.527 -0.469 1.00 22.45 C ATOM 1163 CG1 ILE A 79 7.777 -13.717 0.803 1.00 74.54 C ATOM 1164 CG2 ILE A 79 9.413 -15.180 -0.412 1.00 63.01 C ATOM 1165 CD1 ILE A 79 8.787 -12.616 1.038 1.00 71.51 C ATOM 0 H ILE A 79 5.868 -13.708 -2.102 1.00 32.54 H new ATOM 0 HA ILE A 79 8.624 -12.794 -1.611 1.00 41.04 H new ATOM 0 HB ILE A 79 7.288 -15.313 -0.539 1.00 22.45 H new ATOM 0 HG12 ILE A 79 6.781 -13.279 0.745 1.00 74.54 H new ATOM 0 HG13 ILE A 79 7.780 -14.391 1.660 1.00 74.54 H new ATOM 0 HG21 ILE A 79 9.478 -15.815 0.472 1.00 63.01 H new ATOM 0 HG22 ILE A 79 9.565 -15.786 -1.305 1.00 63.01 H new ATOM 0 HG23 ILE A 79 10.181 -14.408 -0.362 1.00 63.01 H new ATOM 0 HD11 ILE A 79 8.538 -12.084 1.956 1.00 71.51 H new ATOM 0 HD12 ILE A 79 9.783 -13.049 1.128 1.00 71.51 H new ATOM 0 HD13 ILE A 79 8.768 -11.920 0.199 1.00 71.51 H new ATOM 1177 N LEU A 80 9.442 -14.146 -3.530 1.00 72.03 N ATOM 1178 CA LEU A 80 9.901 -14.852 -4.722 1.00 2.35 C ATOM 1179 C LEU A 80 11.255 -15.510 -4.476 1.00 31.50 C ATOM 1180 O LEU A 80 12.247 -14.833 -4.204 1.00 74.45 O ATOM 1181 CB LEU A 80 9.998 -13.887 -5.904 1.00 51.34 C ATOM 1182 CG LEU A 80 8.704 -13.171 -6.295 1.00 20.34 C ATOM 1183 CD1 LEU A 80 7.532 -14.141 -6.278 1.00 2.55 C ATOM 1184 CD2 LEU A 80 8.441 -11.998 -5.362 1.00 45.32 C ATOM 0 H LEU A 80 10.081 -13.426 -3.194 1.00 72.03 H new ATOM 0 HA LEU A 80 9.175 -15.631 -4.956 1.00 2.35 H new ATOM 0 HB2 LEU A 80 10.750 -13.133 -5.671 1.00 51.34 H new ATOM 0 HB3 LEU A 80 10.359 -14.441 -6.771 1.00 51.34 H new ATOM 0 HG LEU A 80 8.816 -12.785 -7.308 1.00 20.34 H new ATOM 0 HD11 LEU A 80 6.620 -13.614 -6.559 1.00 2.55 H new ATOM 0 HD12 LEU A 80 7.718 -14.948 -6.986 1.00 2.55 H new ATOM 0 HD13 LEU A 80 7.418 -14.556 -5.277 1.00 2.55 H new ATOM 0 HD21 LEU A 80 7.517 -11.500 -5.655 1.00 45.32 H new ATOM 0 HD22 LEU A 80 8.349 -12.361 -4.338 1.00 45.32 H new ATOM 0 HD23 LEU A 80 9.269 -11.291 -5.424 1.00 45.32 H new ATOM 1196 N VAL A 81 11.289 -16.836 -4.575 1.00 41.44 N ATOM 1197 CA VAL A 81 12.522 -17.586 -4.367 1.00 74.35 C ATOM 1198 C VAL A 81 13.106 -18.061 -5.693 1.00 72.50 C ATOM 1199 O VAL A 81 12.392 -18.595 -6.543 1.00 71.50 O ATOM 1200 CB VAL A 81 12.289 -18.805 -3.455 1.00 63.20 C ATOM 1201 CG1 VAL A 81 11.317 -19.780 -4.103 1.00 4.23 C ATOM 1202 CG2 VAL A 81 13.609 -19.490 -3.135 1.00 5.34 C ATOM 0 H VAL A 81 10.477 -17.412 -4.798 1.00 41.44 H new ATOM 0 HA VAL A 81 13.227 -16.910 -3.884 1.00 74.35 H new ATOM 0 HB VAL A 81 11.849 -18.458 -2.520 1.00 63.20 H new ATOM 0 HG11 VAL A 81 11.165 -20.635 -3.444 1.00 4.23 H new ATOM 0 HG12 VAL A 81 10.363 -19.282 -4.277 1.00 4.23 H new ATOM 0 HG13 VAL A 81 11.725 -20.123 -5.054 1.00 4.23 H new ATOM 0 HG21 VAL A 81 13.426 -20.349 -2.490 1.00 5.34 H new ATOM 0 HG22 VAL A 81 14.079 -19.824 -4.060 1.00 5.34 H new ATOM 0 HG23 VAL A 81 14.269 -18.788 -2.626 1.00 5.34 H new ATOM 1212 N LEU A 82 14.408 -17.865 -5.863 1.00 45.44 N ATOM 1213 CA LEU A 82 15.091 -18.274 -7.086 1.00 54.33 C ATOM 1214 C LEU A 82 15.486 -19.746 -7.023 1.00 54.42 C ATOM 1215 O LEU A 82 15.727 -20.290 -5.945 1.00 42.31 O ATOM 1216 CB LEU A 82 16.332 -17.410 -7.314 1.00 43.05 C ATOM 1217 CG LEU A 82 16.078 -15.925 -7.577 1.00 21.22 C ATOM 1218 CD1 LEU A 82 17.149 -15.075 -6.912 1.00 10.44 C ATOM 1219 CD2 LEU A 82 16.028 -15.649 -9.072 1.00 53.14 C ATOM 0 H LEU A 82 15.013 -17.425 -5.169 1.00 45.44 H new ATOM 0 HA LEU A 82 14.403 -18.137 -7.920 1.00 54.33 H new ATOM 0 HB2 LEU A 82 16.977 -17.498 -6.440 1.00 43.05 H new ATOM 0 HB3 LEU A 82 16.884 -17.819 -8.160 1.00 43.05 H new ATOM 0 HG LEU A 82 15.113 -15.659 -7.146 1.00 21.22 H new ATOM 0 HD11 LEU A 82 16.952 -14.021 -7.110 1.00 10.44 H new ATOM 0 HD12 LEU A 82 17.137 -15.251 -5.836 1.00 10.44 H new ATOM 0 HD13 LEU A 82 18.127 -15.343 -7.313 1.00 10.44 H new ATOM 0 HD21 LEU A 82 15.846 -14.587 -9.240 1.00 53.14 H new ATOM 0 HD22 LEU A 82 16.978 -15.931 -9.526 1.00 53.14 H new ATOM 0 HD23 LEU A 82 15.224 -16.230 -9.523 1.00 53.14 H new ATOM 1231 N THR A 83 15.552 -20.386 -8.186 1.00 53.15 N ATOM 1232 CA THR A 83 15.919 -21.794 -8.264 1.00 75.20 C ATOM 1233 C THR A 83 16.940 -22.036 -9.369 1.00 63.31 C ATOM 1234 O THR A 83 17.213 -21.152 -10.182 1.00 70.30 O ATOM 1235 CB THR A 83 14.686 -22.683 -8.517 1.00 11.24 C ATOM 1236 OG1 THR A 83 15.057 -24.064 -8.453 1.00 74.43 O ATOM 1237 CG2 THR A 83 14.069 -22.380 -9.874 1.00 3.42 C ATOM 0 H THR A 83 15.356 -19.951 -9.087 1.00 53.15 H new ATOM 0 HA THR A 83 16.358 -22.059 -7.302 1.00 75.20 H new ATOM 0 HB THR A 83 13.947 -22.470 -7.745 1.00 11.24 H new ATOM 0 HG1 THR A 83 14.962 -24.386 -7.532 1.00 74.43 H new ATOM 0 HG21 THR A 83 13.200 -23.020 -10.030 1.00 3.42 H new ATOM 0 HG22 THR A 83 13.761 -21.335 -9.908 1.00 3.42 H new ATOM 0 HG23 THR A 83 14.803 -22.568 -10.658 1.00 3.42 H new ATOM 1245 N THR A 84 17.504 -23.240 -9.395 1.00 34.32 N ATOM 1246 CA THR A 84 18.496 -23.598 -10.400 1.00 71.52 C ATOM 1247 C THR A 84 18.166 -24.940 -11.044 1.00 64.23 C ATOM 1248 O THR A 84 18.333 -25.117 -12.251 1.00 12.24 O ATOM 1249 CB THR A 84 19.910 -23.666 -9.794 1.00 64.42 C ATOM 1250 OG1 THR A 84 20.831 -24.192 -10.757 1.00 1.22 O ATOM 1251 CG2 THR A 84 19.923 -24.536 -8.546 1.00 1.42 C ATOM 0 H THR A 84 17.290 -23.984 -8.731 1.00 34.32 H new ATOM 0 HA THR A 84 18.472 -22.817 -11.160 1.00 71.52 H new ATOM 0 HB THR A 84 20.211 -22.656 -9.517 1.00 64.42 H new ATOM 0 HG1 THR A 84 21.728 -24.231 -10.365 1.00 1.22 H new ATOM 0 HG21 THR A 84 20.932 -24.569 -8.136 1.00 1.42 H new ATOM 0 HG22 THR A 84 19.243 -24.118 -7.804 1.00 1.42 H new ATOM 0 HG23 THR A 84 19.603 -25.546 -8.803 1.00 1.42 H new ATOM 1259 N GLU A 85 17.698 -25.882 -10.232 1.00 32.41 N ATOM 1260 CA GLU A 85 17.345 -27.209 -10.725 1.00 2.34 C ATOM 1261 C GLU A 85 16.051 -27.163 -11.532 1.00 44.24 C ATOM 1262 O GLU A 85 15.897 -27.882 -12.519 1.00 14.14 O ATOM 1263 CB GLU A 85 17.196 -28.188 -9.558 1.00 5.40 C ATOM 1264 CG GLU A 85 16.193 -27.737 -8.510 1.00 22.05 C ATOM 1265 CD GLU A 85 16.028 -28.745 -7.389 1.00 71.20 C ATOM 1266 OE1 GLU A 85 15.673 -29.906 -7.684 1.00 3.12 O ATOM 1267 OE2 GLU A 85 16.253 -28.374 -6.218 1.00 74.12 O ATOM 0 H GLU A 85 17.554 -25.752 -9.231 1.00 32.41 H new ATOM 0 HA GLU A 85 18.148 -27.552 -11.377 1.00 2.34 H new ATOM 0 HB2 GLU A 85 16.891 -29.160 -9.947 1.00 5.40 H new ATOM 0 HB3 GLU A 85 18.168 -28.325 -9.084 1.00 5.40 H new ATOM 0 HG2 GLU A 85 16.514 -26.783 -8.092 1.00 22.05 H new ATOM 0 HG3 GLU A 85 15.227 -27.567 -8.986 1.00 22.05 H new ATOM 1274 N GLY A 86 15.124 -26.311 -11.105 1.00 73.24 N ATOM 1275 CA GLY A 86 13.855 -26.187 -11.799 1.00 60.21 C ATOM 1276 C GLY A 86 13.050 -27.471 -11.769 1.00 13.04 C ATOM 1277 O GLY A 86 12.478 -27.877 -12.780 1.00 63.44 O ATOM 0 H GLY A 86 15.229 -25.705 -10.291 1.00 73.24 H new ATOM 0 HA2 GLY A 86 13.272 -25.386 -11.344 1.00 60.21 H new ATOM 0 HA3 GLY A 86 14.037 -25.900 -12.835 1.00 60.21 H new ATOM 1281 N SER A 87 13.005 -28.112 -10.605 1.00 60.33 N ATOM 1282 CA SER A 87 12.268 -29.361 -10.449 1.00 3.15 C ATOM 1283 C SER A 87 10.879 -29.103 -9.874 1.00 75.21 C ATOM 1284 O SER A 87 10.600 -28.022 -9.355 1.00 70.12 O ATOM 1285 CB SER A 87 13.038 -30.321 -9.540 1.00 20.32 C ATOM 1286 OG SER A 87 13.712 -31.311 -10.298 1.00 11.11 O ATOM 0 H SER A 87 13.470 -27.787 -9.757 1.00 60.33 H new ATOM 0 HA SER A 87 12.156 -29.815 -11.434 1.00 3.15 H new ATOM 0 HB2 SER A 87 13.759 -29.762 -8.943 1.00 20.32 H new ATOM 0 HB3 SER A 87 12.349 -30.798 -8.843 1.00 20.32 H new ATOM 0 HG SER A 87 14.198 -31.911 -9.694 1.00 11.11 H new ATOM 1292 N ASP A 88 10.010 -30.104 -9.971 1.00 65.02 N ATOM 1293 CA ASP A 88 8.649 -29.988 -9.461 1.00 3.22 C ATOM 1294 C ASP A 88 8.616 -30.192 -7.949 1.00 63.45 C ATOM 1295 O ASP A 88 7.843 -29.547 -7.243 1.00 32.14 O ATOM 1296 CB ASP A 88 7.736 -31.006 -10.146 1.00 3.21 C ATOM 1297 CG ASP A 88 6.289 -30.557 -10.176 1.00 15.01 C ATOM 1298 OD1 ASP A 88 5.779 -30.128 -9.120 1.00 32.21 O ATOM 1299 OD2 ASP A 88 5.665 -30.635 -11.255 1.00 71.33 O ATOM 0 H ASP A 88 10.225 -31.005 -10.398 1.00 65.02 H new ATOM 0 HA ASP A 88 8.289 -28.983 -9.682 1.00 3.22 H new ATOM 0 HB2 ASP A 88 8.083 -31.173 -11.166 1.00 3.21 H new ATOM 0 HB3 ASP A 88 7.806 -31.961 -9.625 1.00 3.21 H new ATOM 1304 N ALA A 89 9.460 -31.096 -7.461 1.00 42.42 N ATOM 1305 CA ALA A 89 9.528 -31.385 -6.034 1.00 42.42 C ATOM 1306 C ALA A 89 9.918 -30.142 -5.240 1.00 74.33 C ATOM 1307 O ALA A 89 9.426 -29.921 -4.133 1.00 71.15 O ATOM 1308 CB ALA A 89 10.515 -32.513 -5.771 1.00 13.55 C ATOM 0 H ALA A 89 10.106 -31.640 -8.033 1.00 42.42 H new ATOM 0 HA ALA A 89 8.538 -31.699 -5.704 1.00 42.42 H new ATOM 0 HB1 ALA A 89 10.556 -32.719 -4.701 1.00 13.55 H new ATOM 0 HB2 ALA A 89 10.193 -33.409 -6.301 1.00 13.55 H new ATOM 0 HB3 ALA A 89 11.504 -32.220 -6.122 1.00 13.55 H new ATOM 1314 N PHE A 90 10.804 -29.334 -5.812 1.00 63.32 N ATOM 1315 CA PHE A 90 11.261 -28.114 -5.157 1.00 22.43 C ATOM 1316 C PHE A 90 10.098 -27.155 -4.921 1.00 21.21 C ATOM 1317 O PHE A 90 10.042 -26.467 -3.902 1.00 3.13 O ATOM 1318 CB PHE A 90 12.339 -27.430 -6.000 1.00 54.22 C ATOM 1319 CG PHE A 90 13.111 -26.382 -5.251 1.00 11.02 C ATOM 1320 CD1 PHE A 90 12.643 -25.080 -5.174 1.00 20.12 C ATOM 1321 CD2 PHE A 90 14.305 -26.699 -4.624 1.00 2.13 C ATOM 1322 CE1 PHE A 90 13.351 -24.114 -4.485 1.00 1.44 C ATOM 1323 CE2 PHE A 90 15.017 -25.737 -3.933 1.00 2.23 C ATOM 1324 CZ PHE A 90 14.540 -24.442 -3.864 1.00 63.31 C ATOM 0 H PHE A 90 11.220 -29.502 -6.728 1.00 63.32 H new ATOM 0 HA PHE A 90 11.685 -28.387 -4.191 1.00 22.43 H new ATOM 0 HB2 PHE A 90 13.032 -28.185 -6.371 1.00 54.22 H new ATOM 0 HB3 PHE A 90 11.871 -26.972 -6.871 1.00 54.22 H new ATOM 0 HD1 PHE A 90 11.714 -24.817 -5.658 1.00 20.12 H new ATOM 0 HD2 PHE A 90 14.684 -27.709 -4.676 1.00 2.13 H new ATOM 0 HE1 PHE A 90 12.975 -23.103 -4.432 1.00 1.44 H new ATOM 0 HE2 PHE A 90 15.946 -25.997 -3.447 1.00 2.23 H new ATOM 0 HZ PHE A 90 15.096 -23.688 -3.326 1.00 63.31 H new ATOM 1334 N LYS A 91 9.170 -27.115 -5.871 1.00 45.14 N ATOM 1335 CA LYS A 91 8.007 -26.242 -5.769 1.00 42.34 C ATOM 1336 C LYS A 91 7.295 -26.438 -4.435 1.00 3.44 C ATOM 1337 O LYS A 91 6.777 -25.486 -3.852 1.00 12.13 O ATOM 1338 CB LYS A 91 7.037 -26.513 -6.922 1.00 23.45 C ATOM 1339 CG LYS A 91 7.621 -26.214 -8.291 1.00 40.14 C ATOM 1340 CD LYS A 91 6.756 -26.784 -9.403 1.00 21.31 C ATOM 1341 CE LYS A 91 5.359 -26.184 -9.386 1.00 13.05 C ATOM 1342 NZ LYS A 91 4.750 -26.157 -10.744 1.00 53.02 N ATOM 0 H LYS A 91 9.201 -27.678 -6.721 1.00 45.14 H new ATOM 0 HA LYS A 91 8.353 -25.210 -5.828 1.00 42.34 H new ATOM 0 HB2 LYS A 91 6.729 -27.558 -6.888 1.00 23.45 H new ATOM 0 HB3 LYS A 91 6.140 -25.911 -6.780 1.00 23.45 H new ATOM 0 HG2 LYS A 91 7.716 -25.136 -8.419 1.00 40.14 H new ATOM 0 HG3 LYS A 91 8.625 -26.633 -8.359 1.00 40.14 H new ATOM 0 HD2 LYS A 91 7.225 -26.588 -10.367 1.00 21.31 H new ATOM 0 HD3 LYS A 91 6.689 -27.867 -9.295 1.00 21.31 H new ATOM 0 HE2 LYS A 91 4.724 -26.762 -8.715 1.00 13.05 H new ATOM 0 HE3 LYS A 91 5.404 -25.170 -8.988 1.00 13.05 H new ATOM 0 HZ1 LYS A 91 3.798 -25.741 -10.690 1.00 53.02 H new ATOM 0 HZ2 LYS A 91 5.342 -25.585 -11.379 1.00 53.02 H new ATOM 0 HZ3 LYS A 91 4.683 -27.127 -11.114 1.00 53.02 H new ATOM 1356 N ALA A 92 7.276 -27.677 -3.956 1.00 34.20 N ATOM 1357 CA ALA A 92 6.631 -27.997 -2.688 1.00 54.54 C ATOM 1358 C ALA A 92 7.383 -27.374 -1.517 1.00 64.33 C ATOM 1359 O ALA A 92 6.777 -26.937 -0.540 1.00 2.31 O ATOM 1360 CB ALA A 92 6.530 -29.504 -2.512 1.00 62.55 C ATOM 0 H ALA A 92 7.700 -28.476 -4.427 1.00 34.20 H new ATOM 0 HA ALA A 92 5.625 -27.577 -2.704 1.00 54.54 H new ATOM 0 HB1 ALA A 92 6.046 -29.728 -1.561 1.00 62.55 H new ATOM 0 HB2 ALA A 92 5.942 -29.927 -3.326 1.00 62.55 H new ATOM 0 HB3 ALA A 92 7.529 -29.939 -2.522 1.00 62.55 H new ATOM 1366 N ALA A 93 8.708 -27.339 -1.623 1.00 33.11 N ATOM 1367 CA ALA A 93 9.543 -26.769 -0.573 1.00 32.22 C ATOM 1368 C ALA A 93 9.255 -25.283 -0.388 1.00 34.30 C ATOM 1369 O ALA A 93 8.894 -24.842 0.703 1.00 71.42 O ATOM 1370 CB ALA A 93 11.014 -26.988 -0.892 1.00 3.30 C ATOM 0 H ALA A 93 9.225 -27.699 -2.425 1.00 33.11 H new ATOM 0 HA ALA A 93 9.306 -27.277 0.362 1.00 32.22 H new ATOM 0 HB1 ALA A 93 11.626 -26.557 -0.100 1.00 3.30 H new ATOM 0 HB2 ALA A 93 11.215 -28.057 -0.966 1.00 3.30 H new ATOM 0 HB3 ALA A 93 11.256 -26.507 -1.840 1.00 3.30 H new ATOM 1376 N ALA A 94 9.417 -24.516 -1.461 1.00 11.22 N ATOM 1377 CA ALA A 94 9.173 -23.079 -1.417 1.00 33.54 C ATOM 1378 C ALA A 94 7.798 -22.774 -0.831 1.00 24.05 C ATOM 1379 O ALA A 94 7.649 -21.863 -0.016 1.00 41.12 O ATOM 1380 CB ALA A 94 9.300 -22.479 -2.809 1.00 21.41 C ATOM 0 H ALA A 94 9.716 -24.865 -2.371 1.00 11.22 H new ATOM 0 HA ALA A 94 9.924 -22.627 -0.769 1.00 33.54 H new ATOM 0 HB1 ALA A 94 9.115 -21.406 -2.761 1.00 21.41 H new ATOM 0 HB2 ALA A 94 10.305 -22.657 -3.192 1.00 21.41 H new ATOM 0 HB3 ALA A 94 8.571 -22.943 -3.473 1.00 21.41 H new ATOM 1386 N ARG A 95 6.797 -23.541 -1.250 1.00 45.24 N ATOM 1387 CA ARG A 95 5.435 -23.350 -0.768 1.00 71.42 C ATOM 1388 C ARG A 95 5.312 -23.771 0.693 1.00 34.14 C ATOM 1389 O ARG A 95 4.572 -23.160 1.465 1.00 23.33 O ATOM 1390 CB ARG A 95 4.452 -24.150 -1.625 1.00 15.01 C ATOM 1391 CG ARG A 95 3.043 -23.580 -1.627 1.00 55.23 C ATOM 1392 CD ARG A 95 2.202 -24.168 -0.505 1.00 74.22 C ATOM 1393 NE ARG A 95 1.522 -25.394 -0.916 1.00 11.15 N ATOM 1394 CZ ARG A 95 0.848 -26.176 -0.079 1.00 44.03 C ATOM 1395 NH1 ARG A 95 0.765 -25.861 1.206 1.00 73.30 N ATOM 1396 NH2 ARG A 95 0.256 -27.275 -0.528 1.00 64.34 N ATOM 0 H ARG A 95 6.904 -24.301 -1.922 1.00 45.24 H new ATOM 0 HA ARG A 95 5.194 -22.290 -0.844 1.00 71.42 H new ATOM 0 HB2 ARG A 95 4.822 -24.186 -2.650 1.00 15.01 H new ATOM 0 HB3 ARG A 95 4.419 -25.177 -1.262 1.00 15.01 H new ATOM 0 HG2 ARG A 95 3.088 -22.496 -1.520 1.00 55.23 H new ATOM 0 HG3 ARG A 95 2.567 -23.786 -2.586 1.00 55.23 H new ATOM 0 HD2 ARG A 95 2.839 -24.377 0.354 1.00 74.22 H new ATOM 0 HD3 ARG A 95 1.463 -23.434 -0.183 1.00 74.22 H new ATOM 0 HE ARG A 95 1.567 -25.664 -1.898 1.00 11.15 H new ATOM 0 HH11 ARG A 95 1.219 -25.017 1.554 1.00 73.30 H new ATOM 0 HH12 ARG A 95 0.247 -26.463 1.846 1.00 73.30 H new ATOM 0 HH21 ARG A 95 0.318 -27.520 -1.516 1.00 64.34 H new ATOM 0 HH22 ARG A 95 -0.261 -27.875 0.115 1.00 64.34 H new ATOM 1410 N ASP A 96 6.040 -24.818 1.066 1.00 51.15 N ATOM 1411 CA ASP A 96 6.013 -25.320 2.434 1.00 32.43 C ATOM 1412 C ASP A 96 6.513 -24.262 3.412 1.00 41.51 C ATOM 1413 O ASP A 96 5.925 -24.054 4.473 1.00 73.54 O ATOM 1414 CB ASP A 96 6.865 -26.585 2.553 1.00 72.01 C ATOM 1415 CG ASP A 96 7.163 -26.949 3.994 1.00 22.00 C ATOM 1416 OD1 ASP A 96 8.323 -27.309 4.288 1.00 53.14 O ATOM 1417 OD2 ASP A 96 6.238 -26.873 4.829 1.00 74.25 O ATOM 0 H ASP A 96 6.656 -25.335 0.439 1.00 51.15 H new ATOM 0 HA ASP A 96 4.980 -25.562 2.685 1.00 32.43 H new ATOM 0 HB2 ASP A 96 6.348 -27.415 2.071 1.00 72.01 H new ATOM 0 HB3 ASP A 96 7.803 -26.440 2.017 1.00 72.01 H new ATOM 1422 N ALA A 97 7.604 -23.595 3.047 1.00 15.12 N ATOM 1423 CA ALA A 97 8.182 -22.557 3.891 1.00 24.13 C ATOM 1424 C ALA A 97 7.198 -21.413 4.109 1.00 74.35 C ATOM 1425 O ALA A 97 7.154 -20.814 5.182 1.00 45.32 O ATOM 1426 CB ALA A 97 9.473 -22.036 3.276 1.00 13.55 C ATOM 0 H ALA A 97 8.105 -23.755 2.173 1.00 15.12 H new ATOM 0 HA ALA A 97 8.406 -22.997 4.863 1.00 24.13 H new ATOM 0 HB1 ALA A 97 9.894 -21.261 3.916 1.00 13.55 H new ATOM 0 HB2 ALA A 97 10.186 -22.855 3.179 1.00 13.55 H new ATOM 0 HB3 ALA A 97 9.264 -21.619 2.291 1.00 13.55 H new ATOM 1432 N GLY A 98 6.407 -21.115 3.081 1.00 25.43 N ATOM 1433 CA GLY A 98 5.434 -20.043 3.180 1.00 24.44 C ATOM 1434 C GLY A 98 5.716 -18.913 2.211 1.00 43.12 C ATOM 1435 O GLY A 98 5.452 -17.749 2.510 1.00 12.02 O ATOM 0 H GLY A 98 6.423 -21.597 2.182 1.00 25.43 H new ATOM 0 HA2 GLY A 98 4.438 -20.442 2.988 1.00 24.44 H new ATOM 0 HA3 GLY A 98 5.431 -19.652 4.198 1.00 24.44 H new ATOM 1439 N ALA A 99 6.256 -19.255 1.046 1.00 64.52 N ATOM 1440 CA ALA A 99 6.574 -18.261 0.029 1.00 2.41 C ATOM 1441 C ALA A 99 5.498 -18.216 -1.050 1.00 40.34 C ATOM 1442 O ALA A 99 4.936 -19.245 -1.425 1.00 60.34 O ATOM 1443 CB ALA A 99 7.933 -18.554 -0.589 1.00 41.55 C ATOM 0 H ALA A 99 6.483 -20.214 0.783 1.00 64.52 H new ATOM 0 HA ALA A 99 6.610 -17.284 0.510 1.00 2.41 H new ATOM 0 HB1 ALA A 99 8.157 -17.804 -1.347 1.00 41.55 H new ATOM 0 HB2 ALA A 99 8.699 -18.527 0.186 1.00 41.55 H new ATOM 0 HB3 ALA A 99 7.918 -19.542 -1.050 1.00 41.55 H new ATOM 1449 N THR A 100 5.214 -17.016 -1.547 1.00 41.41 N ATOM 1450 CA THR A 100 4.204 -16.836 -2.582 1.00 71.21 C ATOM 1451 C THR A 100 4.509 -17.697 -3.803 1.00 14.12 C ATOM 1452 O THR A 100 3.822 -18.683 -4.066 1.00 52.04 O ATOM 1453 CB THR A 100 4.103 -15.363 -3.019 1.00 51.33 C ATOM 1454 OG1 THR A 100 3.848 -14.531 -1.882 1.00 43.41 O ATOM 1455 CG2 THR A 100 2.997 -15.178 -4.047 1.00 51.22 C ATOM 0 H THR A 100 5.670 -16.154 -1.249 1.00 41.41 H new ATOM 0 HA THR A 100 3.252 -17.145 -2.151 1.00 71.21 H new ATOM 0 HB THR A 100 5.051 -15.076 -3.473 1.00 51.33 H new ATOM 0 HG1 THR A 100 3.112 -13.916 -2.085 1.00 43.41 H new ATOM 0 HG21 THR A 100 2.945 -14.130 -4.341 1.00 51.22 H new ATOM 0 HG22 THR A 100 3.209 -15.790 -4.924 1.00 51.22 H new ATOM 0 HG23 THR A 100 2.044 -15.482 -3.614 1.00 51.22 H new ATOM 1463 N GLY A 101 5.544 -17.317 -4.545 1.00 64.44 N ATOM 1464 CA GLY A 101 5.922 -18.066 -5.730 1.00 20.33 C ATOM 1465 C GLY A 101 7.425 -18.168 -5.897 1.00 2.44 C ATOM 1466 O GLY A 101 8.184 -17.657 -5.072 1.00 74.22 O ATOM 0 H GLY A 101 6.128 -16.504 -4.347 1.00 64.44 H new ATOM 0 HA2 GLY A 101 5.497 -19.068 -5.673 1.00 20.33 H new ATOM 0 HA3 GLY A 101 5.493 -17.587 -6.611 1.00 20.33 H new ATOM 1470 N TRP A 102 7.857 -18.829 -6.964 1.00 53.14 N ATOM 1471 CA TRP A 102 9.280 -18.997 -7.235 1.00 70.05 C ATOM 1472 C TRP A 102 9.583 -18.775 -8.713 1.00 75.53 C ATOM 1473 O TRP A 102 8.679 -18.788 -9.550 1.00 31.53 O ATOM 1474 CB TRP A 102 9.739 -20.393 -6.812 1.00 24.12 C ATOM 1475 CG TRP A 102 9.421 -21.455 -7.821 1.00 2.22 C ATOM 1476 CD1 TRP A 102 8.320 -21.516 -8.626 1.00 71.50 C ATOM 1477 CD2 TRP A 102 10.212 -22.608 -8.130 1.00 50.51 C ATOM 1478 NE1 TRP A 102 8.378 -22.638 -9.417 1.00 64.34 N ATOM 1479 CE2 TRP A 102 9.530 -23.324 -9.133 1.00 13.20 C ATOM 1480 CE3 TRP A 102 11.431 -23.103 -7.659 1.00 73.34 C ATOM 1481 CZ2 TRP A 102 10.026 -24.508 -9.670 1.00 65.40 C ATOM 1482 CZ3 TRP A 102 11.922 -24.279 -8.193 1.00 63.31 C ATOM 1483 CH2 TRP A 102 11.222 -24.971 -9.190 1.00 52.24 C ATOM 0 H TRP A 102 7.242 -19.258 -7.656 1.00 53.14 H new ATOM 0 HA TRP A 102 9.825 -18.252 -6.656 1.00 70.05 H new ATOM 0 HB2 TRP A 102 10.815 -20.377 -6.639 1.00 24.12 H new ATOM 0 HB3 TRP A 102 9.268 -20.651 -5.863 1.00 24.12 H new ATOM 0 HD1 TRP A 102 7.521 -20.789 -8.639 1.00 71.50 H new ATOM 0 HE1 TRP A 102 7.677 -22.915 -10.104 1.00 64.34 H new ATOM 0 HE3 TRP A 102 11.979 -22.576 -6.892 1.00 73.34 H new ATOM 0 HZ2 TRP A 102 9.487 -25.043 -10.438 1.00 65.40 H new ATOM 0 HZ3 TRP A 102 12.862 -24.672 -7.835 1.00 63.31 H new ATOM 0 HH2 TRP A 102 11.633 -25.887 -9.588 1.00 52.24 H new ATOM 1494 N ILE A 103 10.857 -18.573 -9.028 1.00 4.42 N ATOM 1495 CA ILE A 103 11.278 -18.350 -10.406 1.00 14.33 C ATOM 1496 C ILE A 103 12.694 -18.865 -10.639 1.00 33.13 C ATOM 1497 O ILE A 103 13.398 -19.221 -9.695 1.00 1.34 O ATOM 1498 CB ILE A 103 11.219 -16.856 -10.777 1.00 63.34 C ATOM 1499 CG1 ILE A 103 11.552 -15.992 -9.560 1.00 5.23 C ATOM 1500 CG2 ILE A 103 9.846 -16.500 -11.327 1.00 32.44 C ATOM 1501 CD1 ILE A 103 12.902 -16.300 -8.951 1.00 23.53 C ATOM 0 H ILE A 103 11.617 -18.559 -8.348 1.00 4.42 H new ATOM 0 HA ILE A 103 10.585 -18.902 -11.041 1.00 14.33 H new ATOM 0 HB ILE A 103 11.961 -16.660 -11.551 1.00 63.34 H new ATOM 0 HG12 ILE A 103 11.525 -14.942 -9.852 1.00 5.23 H new ATOM 0 HG13 ILE A 103 10.780 -16.132 -8.803 1.00 5.23 H new ATOM 0 HG21 ILE A 103 9.821 -15.441 -11.584 1.00 32.44 H new ATOM 0 HG22 ILE A 103 9.646 -17.095 -12.218 1.00 32.44 H new ATOM 0 HG23 ILE A 103 9.087 -16.709 -10.573 1.00 32.44 H new ATOM 0 HD11 ILE A 103 13.071 -15.650 -8.093 1.00 23.53 H new ATOM 0 HD12 ILE A 103 12.926 -17.341 -8.628 1.00 23.53 H new ATOM 0 HD13 ILE A 103 13.683 -16.132 -9.693 1.00 23.53 H new ATOM 1513 N GLU A 104 13.104 -18.901 -11.903 1.00 2.33 N ATOM 1514 CA GLU A 104 14.437 -19.372 -12.259 1.00 43.22 C ATOM 1515 C GLU A 104 15.340 -18.205 -12.649 1.00 64.11 C ATOM 1516 O GLU A 104 14.953 -17.340 -13.435 1.00 34.13 O ATOM 1517 CB GLU A 104 14.357 -20.376 -13.411 1.00 54.31 C ATOM 1518 CG GLU A 104 13.453 -19.927 -14.547 1.00 41.14 C ATOM 1519 CD GLU A 104 14.078 -20.147 -15.911 1.00 71.34 C ATOM 1520 OE1 GLU A 104 14.454 -19.148 -16.559 1.00 61.13 O ATOM 1521 OE2 GLU A 104 14.190 -21.318 -16.331 1.00 4.01 O ATOM 0 H GLU A 104 12.533 -18.610 -12.696 1.00 2.33 H new ATOM 0 HA GLU A 104 14.865 -19.865 -11.386 1.00 43.22 H new ATOM 0 HB2 GLU A 104 15.360 -20.548 -13.802 1.00 54.31 H new ATOM 0 HB3 GLU A 104 13.997 -21.330 -13.026 1.00 54.31 H new ATOM 0 HG2 GLU A 104 12.509 -20.470 -14.492 1.00 41.14 H new ATOM 0 HG3 GLU A 104 13.220 -18.869 -14.425 1.00 41.14 H new ATOM 1528 N LYS A 105 16.547 -18.188 -12.094 1.00 3.32 N ATOM 1529 CA LYS A 105 17.508 -17.129 -12.382 1.00 74.12 C ATOM 1530 C LYS A 105 18.361 -17.485 -13.595 1.00 44.32 C ATOM 1531 O LYS A 105 18.504 -18.651 -13.964 1.00 12.22 O ATOM 1532 CB LYS A 105 18.406 -16.882 -11.168 1.00 34.11 C ATOM 1533 CG LYS A 105 19.646 -17.759 -11.140 1.00 52.52 C ATOM 1534 CD LYS A 105 19.286 -19.232 -11.046 1.00 14.31 C ATOM 1535 CE LYS A 105 20.520 -20.115 -11.143 1.00 3.34 C ATOM 1536 NZ LYS A 105 21.024 -20.213 -12.541 1.00 1.55 N ATOM 0 H LYS A 105 16.884 -18.896 -11.442 1.00 3.32 H new ATOM 0 HA LYS A 105 16.952 -16.218 -12.605 1.00 74.12 H new ATOM 0 HB2 LYS A 105 18.711 -15.836 -11.159 1.00 34.11 H new ATOM 0 HB3 LYS A 105 17.829 -17.054 -10.259 1.00 34.11 H new ATOM 0 HG2 LYS A 105 20.236 -17.585 -12.040 1.00 52.52 H new ATOM 0 HG3 LYS A 105 20.270 -17.481 -10.291 1.00 52.52 H new ATOM 0 HD2 LYS A 105 18.774 -19.423 -10.103 1.00 14.31 H new ATOM 0 HD3 LYS A 105 18.590 -19.489 -11.844 1.00 14.31 H new ATOM 0 HE2 LYS A 105 21.305 -19.714 -10.501 1.00 3.34 H new ATOM 0 HE3 LYS A 105 20.283 -21.112 -10.772 1.00 3.34 H new ATOM 0 HZ1 LYS A 105 21.137 -21.214 -12.800 1.00 1.55 H new ATOM 0 HZ2 LYS A 105 20.345 -19.763 -13.187 1.00 1.55 H new ATOM 0 HZ3 LYS A 105 21.943 -19.731 -12.613 1.00 1.55 H new ATOM 1550 N PRO A 106 18.945 -16.458 -14.231 1.00 11.22 N ATOM 1551 CA PRO A 106 18.782 -15.066 -13.802 1.00 1.34 C ATOM 1552 C PRO A 106 17.371 -14.544 -14.049 1.00 33.14 C ATOM 1553 O PRO A 106 16.536 -15.238 -14.630 1.00 52.43 O ATOM 1554 CB PRO A 106 19.792 -14.307 -14.667 1.00 74.30 C ATOM 1555 CG PRO A 106 19.962 -15.154 -15.881 1.00 33.23 C ATOM 1556 CD PRO A 106 19.808 -16.577 -15.418 1.00 1.30 C ATOM 0 HA PRO A 106 18.944 -14.949 -12.731 1.00 1.34 H new ATOM 0 HB2 PRO A 106 19.425 -13.314 -14.925 1.00 74.30 H new ATOM 0 HB3 PRO A 106 20.738 -14.171 -14.144 1.00 74.30 H new ATOM 0 HG2 PRO A 106 19.217 -14.907 -16.637 1.00 33.23 H new ATOM 0 HG3 PRO A 106 20.940 -14.995 -16.334 1.00 33.23 H new ATOM 0 HD2 PRO A 106 19.352 -17.202 -16.186 1.00 1.30 H new ATOM 0 HD3 PRO A 106 20.770 -17.026 -15.172 1.00 1.30 H new ATOM 1564 N ILE A 107 17.111 -13.319 -13.604 1.00 23.32 N ATOM 1565 CA ILE A 107 15.801 -12.705 -13.779 1.00 31.23 C ATOM 1566 C ILE A 107 15.885 -11.477 -14.679 1.00 60.30 C ATOM 1567 O ILE A 107 16.818 -10.681 -14.574 1.00 53.41 O ATOM 1568 CB ILE A 107 15.186 -12.296 -12.427 1.00 42.22 C ATOM 1569 CG1 ILE A 107 15.242 -13.465 -11.442 1.00 12.12 C ATOM 1570 CG2 ILE A 107 13.752 -11.825 -12.619 1.00 3.15 C ATOM 1571 CD1 ILE A 107 14.396 -14.648 -11.859 1.00 44.32 C ATOM 0 H ILE A 107 17.790 -12.732 -13.120 1.00 23.32 H new ATOM 0 HA ILE A 107 15.162 -13.453 -14.248 1.00 31.23 H new ATOM 0 HB ILE A 107 15.767 -11.471 -12.015 1.00 42.22 H new ATOM 0 HG12 ILE A 107 16.277 -13.789 -11.334 1.00 12.12 H new ATOM 0 HG13 ILE A 107 14.912 -13.120 -10.462 1.00 12.12 H new ATOM 0 HG21 ILE A 107 13.331 -11.539 -11.655 1.00 3.15 H new ATOM 0 HG22 ILE A 107 13.738 -10.966 -13.290 1.00 3.15 H new ATOM 0 HG23 ILE A 107 13.159 -12.632 -13.050 1.00 3.15 H new ATOM 0 HD11 ILE A 107 14.484 -15.439 -11.114 1.00 44.32 H new ATOM 0 HD12 ILE A 107 13.354 -14.340 -11.939 1.00 44.32 H new ATOM 0 HD13 ILE A 107 14.740 -15.019 -12.824 1.00 44.32 H new ATOM 1583 N ASP A 108 14.904 -11.330 -15.562 1.00 72.13 N ATOM 1584 CA ASP A 108 14.865 -10.197 -16.480 1.00 35.23 C ATOM 1585 C ASP A 108 14.212 -8.986 -15.820 1.00 75.45 C ATOM 1586 O ASP A 108 13.427 -9.109 -14.879 1.00 43.13 O ATOM 1587 CB ASP A 108 14.105 -10.571 -17.754 1.00 22.34 C ATOM 1588 CG ASP A 108 15.033 -10.850 -18.920 1.00 32.53 C ATOM 1589 OD1 ASP A 108 16.081 -10.179 -19.018 1.00 44.02 O ATOM 1590 OD2 ASP A 108 14.711 -11.741 -19.733 1.00 72.05 O ATOM 0 H ASP A 108 14.125 -11.981 -15.662 1.00 72.13 H new ATOM 0 HA ASP A 108 15.891 -9.937 -16.742 1.00 35.23 H new ATOM 0 HB2 ASP A 108 13.492 -11.452 -17.563 1.00 22.34 H new ATOM 0 HB3 ASP A 108 13.426 -9.761 -18.020 1.00 22.34 H new ATOM 1595 N PRO A 109 14.542 -7.788 -16.324 1.00 40.02 N ATOM 1596 CA PRO A 109 13.999 -6.532 -15.799 1.00 3.41 C ATOM 1597 C PRO A 109 12.517 -6.364 -16.113 1.00 73.14 C ATOM 1598 O PRO A 109 11.767 -5.788 -15.327 1.00 15.02 O ATOM 1599 CB PRO A 109 14.823 -5.461 -16.519 1.00 10.10 C ATOM 1600 CG PRO A 109 15.274 -6.114 -17.780 1.00 22.35 C ATOM 1601 CD PRO A 109 15.470 -7.567 -17.446 1.00 25.24 C ATOM 0 HA PRO A 109 14.066 -6.482 -14.712 1.00 3.41 H new ATOM 0 HB2 PRO A 109 14.225 -4.573 -16.725 1.00 10.10 H new ATOM 0 HB3 PRO A 109 15.671 -5.141 -15.914 1.00 10.10 H new ATOM 0 HG2 PRO A 109 14.533 -5.992 -18.570 1.00 22.35 H new ATOM 0 HG3 PRO A 109 16.201 -5.668 -18.141 1.00 22.35 H new ATOM 0 HD2 PRO A 109 15.235 -8.210 -18.294 1.00 25.24 H new ATOM 0 HD3 PRO A 109 16.501 -7.778 -17.162 1.00 25.24 H new ATOM 1609 N GLY A 110 12.100 -6.872 -17.269 1.00 64.35 N ATOM 1610 CA GLY A 110 10.708 -6.769 -17.667 1.00 5.30 C ATOM 1611 C GLY A 110 9.801 -7.657 -16.839 1.00 64.31 C ATOM 1612 O GLY A 110 8.647 -7.313 -16.584 1.00 63.00 O ATOM 0 H GLY A 110 12.702 -7.353 -17.937 1.00 64.35 H new ATOM 0 HA2 GLY A 110 10.382 -5.733 -17.572 1.00 5.30 H new ATOM 0 HA3 GLY A 110 10.613 -7.038 -18.719 1.00 5.30 H new ATOM 1616 N VAL A 111 10.323 -8.806 -16.419 1.00 41.43 N ATOM 1617 CA VAL A 111 9.552 -9.747 -15.616 1.00 2.01 C ATOM 1618 C VAL A 111 9.533 -9.331 -14.149 1.00 64.23 C ATOM 1619 O VAL A 111 8.480 -9.314 -13.511 1.00 1.31 O ATOM 1620 CB VAL A 111 10.119 -11.175 -15.726 1.00 45.31 C ATOM 1621 CG1 VAL A 111 9.299 -12.142 -14.886 1.00 51.24 C ATOM 1622 CG2 VAL A 111 10.161 -11.620 -17.180 1.00 34.50 C ATOM 0 H VAL A 111 11.276 -9.107 -16.622 1.00 41.43 H new ATOM 0 HA VAL A 111 8.534 -9.737 -16.007 1.00 2.01 H new ATOM 0 HB VAL A 111 11.139 -11.173 -15.341 1.00 45.31 H new ATOM 0 HG11 VAL A 111 9.715 -13.145 -14.977 1.00 51.24 H new ATOM 0 HG12 VAL A 111 9.327 -11.831 -13.842 1.00 51.24 H new ATOM 0 HG13 VAL A 111 8.267 -12.144 -15.237 1.00 51.24 H new ATOM 0 HG21 VAL A 111 10.564 -12.631 -17.240 1.00 34.50 H new ATOM 0 HG22 VAL A 111 9.153 -11.606 -17.594 1.00 34.50 H new ATOM 0 HG23 VAL A 111 10.796 -10.942 -17.750 1.00 34.50 H new ATOM 1632 N LEU A 112 10.705 -8.996 -13.620 1.00 71.21 N ATOM 1633 CA LEU A 112 10.824 -8.579 -12.227 1.00 61.13 C ATOM 1634 C LEU A 112 9.951 -7.360 -11.947 1.00 72.32 C ATOM 1635 O LEU A 112 9.108 -7.380 -11.050 1.00 60.10 O ATOM 1636 CB LEU A 112 12.283 -8.263 -11.892 1.00 32.41 C ATOM 1637 CG LEU A 112 12.566 -7.859 -10.445 1.00 3.21 C ATOM 1638 CD1 LEU A 112 12.266 -6.383 -10.235 1.00 1.23 C ATOM 1639 CD2 LEU A 112 11.753 -8.713 -9.483 1.00 51.41 C ATOM 0 H LEU A 112 11.586 -9.005 -14.134 1.00 71.21 H new ATOM 0 HA LEU A 112 10.482 -9.400 -11.597 1.00 61.13 H new ATOM 0 HB2 LEU A 112 12.887 -9.139 -12.129 1.00 32.41 H new ATOM 0 HB3 LEU A 112 12.619 -7.458 -12.545 1.00 32.41 H new ATOM 0 HG LEU A 112 13.624 -8.026 -10.242 1.00 3.21 H new ATOM 0 HD11 LEU A 112 12.473 -6.113 -9.199 1.00 1.23 H new ATOM 0 HD12 LEU A 112 12.893 -5.786 -10.898 1.00 1.23 H new ATOM 0 HD13 LEU A 112 11.217 -6.190 -10.457 1.00 1.23 H new ATOM 0 HD21 LEU A 112 11.968 -8.411 -8.458 1.00 51.41 H new ATOM 0 HD22 LEU A 112 10.691 -8.579 -9.686 1.00 51.41 H new ATOM 0 HD23 LEU A 112 12.018 -9.762 -9.615 1.00 51.41 H new ATOM 1651 N VAL A 113 10.157 -6.300 -12.723 1.00 35.43 N ATOM 1652 CA VAL A 113 9.386 -5.073 -12.561 1.00 31.44 C ATOM 1653 C VAL A 113 7.893 -5.337 -12.718 1.00 33.52 C ATOM 1654 O VAL A 113 7.069 -4.720 -12.044 1.00 3.34 O ATOM 1655 CB VAL A 113 9.816 -4.001 -13.579 1.00 65.55 C ATOM 1656 CG1 VAL A 113 8.960 -2.753 -13.435 1.00 40.31 C ATOM 1657 CG2 VAL A 113 11.291 -3.669 -13.411 1.00 3.10 C ATOM 0 H VAL A 113 10.851 -6.267 -13.470 1.00 35.43 H new ATOM 0 HA VAL A 113 9.583 -4.707 -11.554 1.00 31.44 H new ATOM 0 HB VAL A 113 9.669 -4.398 -14.583 1.00 65.55 H new ATOM 0 HG11 VAL A 113 9.279 -2.007 -14.163 1.00 40.31 H new ATOM 0 HG12 VAL A 113 7.914 -3.007 -13.610 1.00 40.31 H new ATOM 0 HG13 VAL A 113 9.072 -2.349 -12.429 1.00 40.31 H new ATOM 0 HG21 VAL A 113 11.578 -2.910 -14.138 1.00 3.10 H new ATOM 0 HG22 VAL A 113 11.467 -3.291 -12.404 1.00 3.10 H new ATOM 0 HG23 VAL A 113 11.887 -4.568 -13.570 1.00 3.10 H new ATOM 1667 N GLU A 114 7.551 -6.260 -13.612 1.00 42.12 N ATOM 1668 CA GLU A 114 6.156 -6.605 -13.858 1.00 30.33 C ATOM 1669 C GLU A 114 5.569 -7.370 -12.675 1.00 74.10 C ATOM 1670 O GLU A 114 4.409 -7.174 -12.309 1.00 31.53 O ATOM 1671 CB GLU A 114 6.031 -7.442 -15.133 1.00 4.12 C ATOM 1672 CG GLU A 114 5.845 -6.610 -16.391 1.00 23.23 C ATOM 1673 CD GLU A 114 4.564 -5.799 -16.370 1.00 5.15 C ATOM 1674 OE1 GLU A 114 4.649 -4.556 -16.459 1.00 13.01 O ATOM 1675 OE2 GLU A 114 3.479 -6.406 -16.263 1.00 74.05 O ATOM 0 H GLU A 114 8.221 -6.782 -14.177 1.00 42.12 H new ATOM 0 HA GLU A 114 5.596 -5.678 -13.984 1.00 30.33 H new ATOM 0 HB2 GLU A 114 6.924 -8.057 -15.243 1.00 4.12 H new ATOM 0 HB3 GLU A 114 5.186 -8.123 -15.029 1.00 4.12 H new ATOM 0 HG2 GLU A 114 6.695 -5.937 -16.506 1.00 23.23 H new ATOM 0 HG3 GLU A 114 5.840 -7.268 -17.260 1.00 23.23 H new ATOM 1682 N LEU A 115 6.377 -8.242 -12.082 1.00 75.11 N ATOM 1683 CA LEU A 115 5.938 -9.038 -10.941 1.00 1.22 C ATOM 1684 C LEU A 115 5.643 -8.148 -9.738 1.00 4.15 C ATOM 1685 O LEU A 115 4.716 -8.409 -8.971 1.00 23.21 O ATOM 1686 CB LEU A 115 7.004 -10.072 -10.576 1.00 21.35 C ATOM 1687 CG LEU A 115 7.016 -11.349 -11.416 1.00 71.52 C ATOM 1688 CD1 LEU A 115 8.227 -12.203 -11.073 1.00 73.31 C ATOM 1689 CD2 LEU A 115 5.730 -12.136 -11.209 1.00 30.42 C ATOM 0 H LEU A 115 7.339 -8.416 -12.372 1.00 75.11 H new ATOM 0 HA LEU A 115 5.020 -9.555 -11.221 1.00 1.22 H new ATOM 0 HB2 LEU A 115 7.983 -9.599 -10.656 1.00 21.35 H new ATOM 0 HB3 LEU A 115 6.869 -10.350 -9.531 1.00 21.35 H new ATOM 0 HG LEU A 115 7.081 -11.068 -12.467 1.00 71.52 H new ATOM 0 HD11 LEU A 115 8.218 -13.108 -11.681 1.00 73.31 H new ATOM 0 HD12 LEU A 115 9.138 -11.640 -11.274 1.00 73.31 H new ATOM 0 HD13 LEU A 115 8.194 -12.475 -10.018 1.00 73.31 H new ATOM 0 HD21 LEU A 115 5.756 -13.042 -11.815 1.00 30.42 H new ATOM 0 HD22 LEU A 115 5.634 -12.406 -10.157 1.00 30.42 H new ATOM 0 HD23 LEU A 115 4.878 -11.525 -11.507 1.00 30.42 H new ATOM 1701 N VAL A 116 6.438 -7.094 -9.579 1.00 14.21 N ATOM 1702 CA VAL A 116 6.260 -6.163 -8.471 1.00 42.31 C ATOM 1703 C VAL A 116 5.211 -5.108 -8.803 1.00 14.25 C ATOM 1704 O VAL A 116 4.465 -4.664 -7.930 1.00 3.51 O ATOM 1705 CB VAL A 116 7.583 -5.460 -8.111 1.00 53.13 C ATOM 1706 CG1 VAL A 116 8.101 -4.658 -9.295 1.00 72.05 C ATOM 1707 CG2 VAL A 116 7.397 -4.568 -6.893 1.00 43.11 C ATOM 0 H VAL A 116 7.211 -6.864 -10.203 1.00 14.21 H new ATOM 0 HA VAL A 116 5.924 -6.749 -7.616 1.00 42.31 H new ATOM 0 HB VAL A 116 8.324 -6.221 -7.866 1.00 53.13 H new ATOM 0 HG11 VAL A 116 9.036 -4.169 -9.022 1.00 72.05 H new ATOM 0 HG12 VAL A 116 8.274 -5.326 -10.139 1.00 72.05 H new ATOM 0 HG13 VAL A 116 7.365 -3.904 -9.574 1.00 72.05 H new ATOM 0 HG21 VAL A 116 8.341 -4.079 -6.652 1.00 43.11 H new ATOM 0 HG22 VAL A 116 6.641 -3.812 -7.107 1.00 43.11 H new ATOM 0 HG23 VAL A 116 7.075 -5.173 -6.045 1.00 43.11 H new ATOM 1717 N ALA A 117 5.158 -4.711 -10.070 1.00 32.41 N ATOM 1718 CA ALA A 117 4.198 -3.710 -10.518 1.00 34.33 C ATOM 1719 C ALA A 117 2.781 -4.076 -10.086 1.00 65.34 C ATOM 1720 O ALA A 117 2.092 -3.283 -9.444 1.00 72.24 O ATOM 1721 CB ALA A 117 4.267 -3.552 -12.029 1.00 54.14 C ATOM 0 H ALA A 117 5.769 -5.068 -10.805 1.00 32.41 H new ATOM 0 HA ALA A 117 4.458 -2.759 -10.052 1.00 34.33 H new ATOM 0 HB1 ALA A 117 3.545 -2.801 -12.350 1.00 54.14 H new ATOM 0 HB2 ALA A 117 5.270 -3.237 -12.316 1.00 54.14 H new ATOM 0 HB3 ALA A 117 4.036 -4.505 -12.505 1.00 54.14 H new ATOM 1727 N THR A 118 2.352 -5.283 -10.444 1.00 0.34 N ATOM 1728 CA THR A 118 1.017 -5.753 -10.095 1.00 63.02 C ATOM 1729 C THR A 118 0.746 -5.582 -8.605 1.00 33.11 C ATOM 1730 O THR A 118 -0.382 -5.302 -8.197 1.00 74.50 O ATOM 1731 CB THR A 118 0.827 -7.234 -10.474 1.00 11.04 C ATOM 1732 OG1 THR A 118 -0.512 -7.647 -10.179 1.00 53.42 O ATOM 1733 CG2 THR A 118 1.812 -8.116 -9.721 1.00 13.23 C ATOM 0 H THR A 118 2.910 -5.952 -10.975 1.00 0.34 H new ATOM 0 HA THR A 118 0.310 -5.147 -10.661 1.00 63.02 H new ATOM 0 HB THR A 118 1.013 -7.339 -11.543 1.00 11.04 H new ATOM 0 HG1 THR A 118 -0.625 -8.589 -10.424 1.00 53.42 H new ATOM 0 HG21 THR A 118 1.659 -9.157 -10.005 1.00 13.23 H new ATOM 0 HG22 THR A 118 2.831 -7.818 -9.970 1.00 13.23 H new ATOM 0 HG23 THR A 118 1.653 -8.005 -8.648 1.00 13.23 H new ATOM 1741 N LEU A 119 1.786 -5.751 -7.796 1.00 13.12 N ATOM 1742 CA LEU A 119 1.659 -5.614 -6.349 1.00 23.31 C ATOM 1743 C LEU A 119 1.651 -4.145 -5.939 1.00 60.13 C ATOM 1744 O LEU A 119 0.950 -3.754 -5.006 1.00 72.41 O ATOM 1745 CB LEU A 119 2.805 -6.345 -5.646 1.00 33.11 C ATOM 1746 CG LEU A 119 3.215 -7.688 -6.250 1.00 61.34 C ATOM 1747 CD1 LEU A 119 4.526 -8.168 -5.646 1.00 13.41 C ATOM 1748 CD2 LEU A 119 2.119 -8.724 -6.042 1.00 45.23 C ATOM 0 H LEU A 119 2.726 -5.983 -8.117 1.00 13.12 H new ATOM 0 HA LEU A 119 0.711 -6.061 -6.048 1.00 23.31 H new ATOM 0 HB2 LEU A 119 3.677 -5.691 -5.640 1.00 33.11 H new ATOM 0 HB3 LEU A 119 2.522 -6.508 -4.606 1.00 33.11 H new ATOM 0 HG LEU A 119 3.361 -7.552 -7.322 1.00 61.34 H new ATOM 0 HD11 LEU A 119 4.801 -9.125 -6.088 1.00 13.41 H new ATOM 0 HD12 LEU A 119 5.309 -7.437 -5.847 1.00 13.41 H new ATOM 0 HD13 LEU A 119 4.409 -8.286 -4.569 1.00 13.41 H new ATOM 0 HD21 LEU A 119 2.428 -9.674 -6.478 1.00 45.23 H new ATOM 0 HD22 LEU A 119 1.941 -8.856 -4.975 1.00 45.23 H new ATOM 0 HD23 LEU A 119 1.202 -8.385 -6.524 1.00 45.23 H new ATOM 1760 N SER A 120 2.434 -3.335 -6.645 1.00 14.11 N ATOM 1761 CA SER A 120 2.518 -1.908 -6.354 1.00 33.52 C ATOM 1762 C SER A 120 1.192 -1.214 -6.652 1.00 23.21 C ATOM 1763 O SER A 120 0.765 -0.327 -5.914 1.00 44.44 O ATOM 1764 CB SER A 120 3.639 -1.265 -7.172 1.00 10.23 C ATOM 1765 OG SER A 120 3.172 -0.858 -8.446 1.00 54.21 O ATOM 0 H SER A 120 3.019 -3.642 -7.422 1.00 14.11 H new ATOM 0 HA SER A 120 2.739 -1.790 -5.293 1.00 33.52 H new ATOM 0 HB2 SER A 120 4.037 -0.404 -6.635 1.00 10.23 H new ATOM 0 HB3 SER A 120 4.459 -1.973 -7.291 1.00 10.23 H new ATOM 0 HG SER A 120 2.753 -1.619 -8.900 1.00 54.21 H new