USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 920 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 -40:sc= 1.19 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.215 (180deg=-0.601) USER MOD Single : A 4 THR OG1 : rot 132:sc= 1.34 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 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -2.69! C(o=-4.9!,f=-2.7!) USER MOD Single : A 21 THR OG1 : rot -165:sc= -0.608 USER MOD Single : A 24 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.15) 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 110:sc= -0.588 USER MOD Single : A 54 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.66) USER MOD Single : A 55 ASN : amide:sc= -0.0351 X(o=-0.035,f=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.0445 (180deg=-0.339) USER MOD Single : A 60 SER OG : rot 128:sc= 1.1 USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 72 SER OG : rot -53:sc= 0.0923 USER MOD Single : A 74 TYR OH : rot 108:sc= 1.14 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 83 THR OG1 : rot 99:sc= -0.0243 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc=-0.00518 USER MOD Single : A 91 LYS NZ :NH3+ 162:sc=-0.00463 (180deg=-0.26) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.0262 K(o=-0.026,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.255 0.279 0.216 1.00 43.21 N ATOM 2 CA MET A 1 2.173 0.744 -0.818 1.00 73.42 C ATOM 3 C MET A 1 3.589 0.242 -0.554 1.00 33.20 C ATOM 4 O MET A 1 4.062 0.263 0.582 1.00 25.14 O ATOM 5 CB MET A 1 2.165 2.272 -0.888 1.00 24.15 C ATOM 6 CG MET A 1 2.271 2.942 0.473 1.00 44.55 C ATOM 7 SD MET A 1 2.079 4.733 0.381 1.00 64.00 S ATOM 8 CE MET A 1 0.871 5.010 1.673 1.00 11.45 C ATOM 0 H1 MET A 1 0.385 0.848 0.189 1.00 43.21 H new ATOM 0 H2 MET A 1 1.021 -0.720 0.048 1.00 43.21 H new ATOM 0 H3 MET A 1 1.704 0.377 1.149 1.00 43.21 H new ATOM 0 HA MET A 1 1.837 0.343 -1.774 1.00 73.42 H new ATOM 0 HB2 MET A 1 2.994 2.604 -1.513 1.00 24.15 H new ATOM 0 HB3 MET A 1 1.247 2.601 -1.376 1.00 24.15 H new ATOM 0 HG2 MET A 1 1.509 2.532 1.136 1.00 44.55 H new ATOM 0 HG3 MET A 1 3.239 2.706 0.916 1.00 44.55 H new ATOM 0 HE1 MET A 1 0.647 6.075 1.740 1.00 11.45 H new ATOM 0 HE2 MET A 1 -0.042 4.461 1.441 1.00 11.45 H new ATOM 0 HE3 MET A 1 1.271 4.663 2.626 1.00 11.45 H new ATOM 18 N ILE A 2 4.258 -0.209 -1.609 1.00 45.14 N ATOM 19 CA ILE A 2 5.620 -0.715 -1.490 1.00 42.02 C ATOM 20 C ILE A 2 6.539 0.324 -0.857 1.00 23.24 C ATOM 21 O ILE A 2 6.778 1.388 -1.429 1.00 30.54 O ATOM 22 CB ILE A 2 6.192 -1.121 -2.861 1.00 73.44 C ATOM 23 CG1 ILE A 2 5.311 -2.192 -3.508 1.00 70.42 C ATOM 24 CG2 ILE A 2 7.621 -1.622 -2.712 1.00 74.03 C ATOM 25 CD1 ILE A 2 5.262 -3.487 -2.728 1.00 23.15 C ATOM 0 H ILE A 2 3.880 -0.235 -2.556 1.00 45.14 H new ATOM 0 HA ILE A 2 5.574 -1.596 -0.849 1.00 42.02 H new ATOM 0 HB ILE A 2 6.201 -0.244 -3.509 1.00 73.44 H new ATOM 0 HG12 ILE A 2 4.298 -1.803 -3.614 1.00 70.42 H new ATOM 0 HG13 ILE A 2 5.681 -2.396 -4.513 1.00 70.42 H new ATOM 0 HG21 ILE A 2 8.011 -1.905 -3.690 1.00 74.03 H new ATOM 0 HG22 ILE A 2 8.241 -0.832 -2.289 1.00 74.03 H new ATOM 0 HG23 ILE A 2 7.636 -2.488 -2.051 1.00 74.03 H new ATOM 0 HD11 ILE A 2 4.619 -4.199 -3.245 1.00 23.15 H new ATOM 0 HD12 ILE A 2 6.267 -3.900 -2.644 1.00 23.15 H new ATOM 0 HD13 ILE A 2 4.864 -3.297 -1.731 1.00 23.15 H new ATOM 37 N ARG A 3 7.054 0.007 0.327 1.00 13.22 N ATOM 38 CA ARG A 3 7.948 0.913 1.039 1.00 74.23 C ATOM 39 C ARG A 3 9.406 0.600 0.718 1.00 3.01 C ATOM 40 O ARG A 3 10.207 1.503 0.473 1.00 24.30 O ATOM 41 CB ARG A 3 7.713 0.814 2.547 1.00 3.22 C ATOM 42 CG ARG A 3 8.410 1.904 3.344 1.00 4.54 C ATOM 43 CD ARG A 3 7.954 3.289 2.912 1.00 40.10 C ATOM 44 NE ARG A 3 6.505 3.443 3.009 1.00 30.10 N ATOM 45 CZ ARG A 3 5.861 4.558 2.684 1.00 11.42 C ATOM 46 NH1 ARG A 3 6.534 5.612 2.243 1.00 1.02 N ATOM 47 NH2 ARG A 3 4.541 4.621 2.800 1.00 54.23 N ATOM 0 H ARG A 3 6.868 -0.870 0.813 1.00 13.22 H new ATOM 0 HA ARG A 3 7.732 1.930 0.711 1.00 74.23 H new ATOM 0 HB2 ARG A 3 6.642 0.861 2.743 1.00 3.22 H new ATOM 0 HB3 ARG A 3 8.059 -0.158 2.897 1.00 3.22 H new ATOM 0 HG2 ARG A 3 8.205 1.767 4.406 1.00 4.54 H new ATOM 0 HG3 ARG A 3 9.489 1.818 3.214 1.00 4.54 H new ATOM 0 HD2 ARG A 3 8.441 4.041 3.533 1.00 40.10 H new ATOM 0 HD3 ARG A 3 8.270 3.471 1.885 1.00 40.10 H new ATOM 0 HE ARG A 3 5.958 2.651 3.345 1.00 30.10 H new ATOM 0 HH11 ARG A 3 7.549 5.568 2.153 1.00 1.02 H new ATOM 0 HH12 ARG A 3 6.037 6.467 1.994 1.00 1.02 H new ATOM 0 HH21 ARG A 3 4.020 3.813 3.139 1.00 54.23 H new ATOM 0 HH22 ARG A 3 4.047 5.478 2.550 1.00 54.23 H new ATOM 61 N THR A 4 9.745 -0.686 0.722 1.00 3.52 N ATOM 62 CA THR A 4 11.107 -1.118 0.434 1.00 50.21 C ATOM 63 C THR A 4 11.122 -2.508 -0.192 1.00 13.32 C ATOM 64 O THR A 4 10.114 -3.215 -0.179 1.00 31.12 O ATOM 65 CB THR A 4 11.974 -1.131 1.707 1.00 34.22 C ATOM 66 OG1 THR A 4 11.395 -2.003 2.685 1.00 54.22 O ATOM 67 CG2 THR A 4 12.108 0.270 2.285 1.00 32.53 C ATOM 0 H THR A 4 9.095 -1.446 0.922 1.00 3.52 H new ATOM 0 HA THR A 4 11.523 -0.400 -0.272 1.00 50.21 H new ATOM 0 HB THR A 4 12.967 -1.493 1.440 1.00 34.22 H new ATOM 0 HG1 THR A 4 12.087 -2.597 3.044 1.00 54.22 H new ATOM 0 HG21 THR A 4 12.724 0.236 3.183 1.00 32.53 H new ATOM 0 HG22 THR A 4 12.575 0.924 1.549 1.00 32.53 H new ATOM 0 HG23 THR A 4 11.120 0.655 2.537 1.00 32.53 H new ATOM 75 N ILE A 5 12.270 -2.893 -0.738 1.00 71.41 N ATOM 76 CA ILE A 5 12.415 -4.200 -1.367 1.00 62.30 C ATOM 77 C ILE A 5 13.767 -4.823 -1.035 1.00 11.10 C ATOM 78 O ILE A 5 14.786 -4.133 -0.988 1.00 1.32 O ATOM 79 CB ILE A 5 12.267 -4.108 -2.897 1.00 60.22 C ATOM 80 CG1 ILE A 5 10.970 -3.384 -3.263 1.00 51.13 C ATOM 81 CG2 ILE A 5 12.297 -5.497 -3.517 1.00 23.42 C ATOM 82 CD1 ILE A 5 10.832 -3.101 -4.743 1.00 25.21 C ATOM 0 H ILE A 5 13.113 -2.319 -0.758 1.00 71.41 H new ATOM 0 HA ILE A 5 11.619 -4.831 -0.970 1.00 62.30 H new ATOM 0 HB ILE A 5 13.105 -3.536 -3.294 1.00 60.22 H new ATOM 0 HG12 ILE A 5 10.123 -3.987 -2.936 1.00 51.13 H new ATOM 0 HG13 ILE A 5 10.922 -2.443 -2.715 1.00 51.13 H new ATOM 0 HG21 ILE A 5 12.191 -5.415 -4.599 1.00 23.42 H new ATOM 0 HG22 ILE A 5 13.245 -5.981 -3.281 1.00 23.42 H new ATOM 0 HG23 ILE A 5 11.476 -6.092 -3.116 1.00 23.42 H new ATOM 0 HD11 ILE A 5 9.889 -2.586 -4.929 1.00 25.21 H new ATOM 0 HD12 ILE A 5 11.660 -2.472 -5.072 1.00 25.21 H new ATOM 0 HD13 ILE A 5 10.848 -4.040 -5.296 1.00 25.21 H new ATOM 94 N LEU A 6 13.769 -6.132 -0.807 1.00 41.31 N ATOM 95 CA LEU A 6 14.997 -6.849 -0.481 1.00 74.51 C ATOM 96 C LEU A 6 15.260 -7.963 -1.489 1.00 62.24 C ATOM 97 O LEU A 6 14.370 -8.751 -1.805 1.00 74.53 O ATOM 98 CB LEU A 6 14.910 -7.433 0.930 1.00 32.50 C ATOM 99 CG LEU A 6 16.236 -7.589 1.675 1.00 41.30 C ATOM 100 CD1 LEU A 6 17.145 -8.567 0.948 1.00 63.20 C ATOM 101 CD2 LEU A 6 16.920 -6.239 1.833 1.00 43.42 C ATOM 0 H LEU A 6 12.935 -6.718 -0.842 1.00 41.31 H new ATOM 0 HA LEU A 6 15.825 -6.141 -0.524 1.00 74.51 H new ATOM 0 HB2 LEU A 6 14.255 -6.797 1.525 1.00 32.50 H new ATOM 0 HB3 LEU A 6 14.434 -8.412 0.868 1.00 32.50 H new ATOM 0 HG LEU A 6 16.028 -7.988 2.668 1.00 41.30 H new ATOM 0 HD11 LEU A 6 18.084 -8.665 1.493 1.00 63.20 H new ATOM 0 HD12 LEU A 6 16.658 -9.540 0.887 1.00 63.20 H new ATOM 0 HD13 LEU A 6 17.346 -8.198 -0.058 1.00 63.20 H new ATOM 0 HD21 LEU A 6 17.862 -6.369 2.365 1.00 43.42 H new ATOM 0 HD22 LEU A 6 17.115 -5.812 0.849 1.00 43.42 H new ATOM 0 HD23 LEU A 6 16.273 -5.567 2.398 1.00 43.42 H new ATOM 113 N ALA A 7 16.490 -8.023 -1.989 1.00 41.24 N ATOM 114 CA ALA A 7 16.872 -9.043 -2.958 1.00 42.53 C ATOM 115 C ALA A 7 18.242 -9.626 -2.630 1.00 4.11 C ATOM 116 O ALA A 7 19.105 -8.938 -2.083 1.00 30.33 O ATOM 117 CB ALA A 7 16.867 -8.462 -4.365 1.00 32.51 C ATOM 0 H ALA A 7 17.239 -7.377 -1.739 1.00 41.24 H new ATOM 0 HA ALA A 7 16.141 -9.850 -2.907 1.00 42.53 H new ATOM 0 HB1 ALA A 7 17.154 -9.234 -5.079 1.00 32.51 H new ATOM 0 HB2 ALA A 7 15.868 -8.099 -4.605 1.00 32.51 H new ATOM 0 HB3 ALA A 7 17.576 -7.636 -4.420 1.00 32.51 H new ATOM 123 N ILE A 8 18.435 -10.897 -2.967 1.00 3.44 N ATOM 124 CA ILE A 8 19.701 -11.571 -2.707 1.00 61.34 C ATOM 125 C ILE A 8 20.083 -12.488 -3.865 1.00 14.12 C ATOM 126 O ILE A 8 19.235 -13.183 -4.425 1.00 31.32 O ATOM 127 CB ILE A 8 19.643 -12.399 -1.410 1.00 14.23 C ATOM 128 CG1 ILE A 8 19.061 -11.560 -0.270 1.00 3.21 C ATOM 129 CG2 ILE A 8 21.028 -12.910 -1.045 1.00 22.31 C ATOM 130 CD1 ILE A 8 17.557 -11.664 -0.150 1.00 10.43 C ATOM 0 H ILE A 8 17.731 -11.480 -3.420 1.00 3.44 H new ATOM 0 HA ILE A 8 20.456 -10.792 -2.598 1.00 61.34 H new ATOM 0 HB ILE A 8 18.992 -13.258 -1.573 1.00 14.23 H new ATOM 0 HG12 ILE A 8 19.515 -11.874 0.670 1.00 3.21 H new ATOM 0 HG13 ILE A 8 19.334 -10.516 -0.422 1.00 3.21 H new ATOM 0 HG21 ILE A 8 20.970 -13.493 -0.126 1.00 22.31 H new ATOM 0 HG22 ILE A 8 21.408 -13.539 -1.850 1.00 22.31 H new ATOM 0 HG23 ILE A 8 21.700 -12.065 -0.897 1.00 22.31 H new ATOM 0 HD11 ILE A 8 17.214 -11.044 0.678 1.00 10.43 H new ATOM 0 HD12 ILE A 8 17.094 -11.322 -1.075 1.00 10.43 H new ATOM 0 HD13 ILE A 8 17.278 -12.701 0.034 1.00 10.43 H new ATOM 142 N ASP A 9 21.363 -12.485 -4.217 1.00 25.01 N ATOM 143 CA ASP A 9 21.859 -13.319 -5.306 1.00 51.31 C ATOM 144 C ASP A 9 23.366 -13.523 -5.192 1.00 3.04 C ATOM 145 O ASP A 9 24.031 -12.874 -4.384 1.00 21.23 O ATOM 146 CB ASP A 9 21.519 -12.686 -6.656 1.00 75.14 C ATOM 147 CG ASP A 9 21.585 -13.684 -7.796 1.00 52.41 C ATOM 148 OD1 ASP A 9 22.612 -13.706 -8.507 1.00 11.24 O ATOM 149 OD2 ASP A 9 20.610 -14.443 -7.977 1.00 40.52 O ATOM 0 H ASP A 9 22.077 -11.914 -3.764 1.00 25.01 H new ATOM 0 HA ASP A 9 21.373 -14.292 -5.236 1.00 51.31 H new ATOM 0 HB2 ASP A 9 20.518 -12.256 -6.611 1.00 75.14 H new ATOM 0 HB3 ASP A 9 22.210 -11.866 -6.854 1.00 75.14 H new ATOM 154 N ASP A 10 23.899 -14.429 -6.004 1.00 53.14 N ATOM 155 CA ASP A 10 25.328 -14.719 -5.995 1.00 32.14 C ATOM 156 C ASP A 10 26.078 -13.790 -6.944 1.00 15.31 C ATOM 157 O ASP A 10 26.921 -13.000 -6.519 1.00 34.15 O ATOM 158 CB ASP A 10 25.577 -16.177 -6.386 1.00 14.45 C ATOM 159 CG ASP A 10 27.023 -16.589 -6.193 1.00 51.25 C ATOM 160 OD1 ASP A 10 27.810 -16.457 -7.154 1.00 4.41 O ATOM 161 OD2 ASP A 10 27.367 -17.043 -5.083 1.00 5.35 O ATOM 0 H ASP A 10 23.362 -14.976 -6.677 1.00 53.14 H new ATOM 0 HA ASP A 10 25.700 -14.553 -4.984 1.00 32.14 H new ATOM 0 HB2 ASP A 10 24.935 -16.825 -5.789 1.00 14.45 H new ATOM 0 HB3 ASP A 10 25.297 -16.323 -7.429 1.00 14.45 H new ATOM 166 N SER A 11 25.765 -13.890 -8.232 1.00 22.40 N ATOM 167 CA SER A 11 26.413 -13.062 -9.243 1.00 32.44 C ATOM 168 C SER A 11 26.349 -11.587 -8.859 1.00 22.24 C ATOM 169 O SER A 11 25.291 -10.962 -8.925 1.00 61.32 O ATOM 170 CB SER A 11 25.753 -13.275 -10.606 1.00 75.02 C ATOM 171 OG SER A 11 26.366 -14.341 -11.309 1.00 62.42 O ATOM 0 H SER A 11 25.067 -14.536 -8.600 1.00 22.40 H new ATOM 0 HA SER A 11 27.460 -13.359 -9.304 1.00 32.44 H new ATOM 0 HB2 SER A 11 24.692 -13.487 -10.471 1.00 75.02 H new ATOM 0 HB3 SER A 11 25.823 -12.360 -11.194 1.00 75.02 H new ATOM 0 HG SER A 11 25.925 -14.458 -12.176 1.00 62.42 H new ATOM 177 N ALA A 12 27.490 -11.037 -8.456 1.00 62.33 N ATOM 178 CA ALA A 12 27.566 -9.636 -8.063 1.00 51.32 C ATOM 179 C ALA A 12 27.012 -8.728 -9.157 1.00 24.33 C ATOM 180 O ALA A 12 26.089 -7.948 -8.923 1.00 33.13 O ATOM 181 CB ALA A 12 29.003 -9.256 -7.737 1.00 34.04 C ATOM 0 H ALA A 12 28.375 -11.541 -8.393 1.00 62.33 H new ATOM 0 HA ALA A 12 26.955 -9.501 -7.171 1.00 51.32 H new ATOM 0 HB1 ALA A 12 29.045 -8.207 -7.445 1.00 34.04 H new ATOM 0 HB2 ALA A 12 29.366 -9.875 -6.917 1.00 34.04 H new ATOM 0 HB3 ALA A 12 29.629 -9.413 -8.615 1.00 34.04 H new ATOM 187 N THR A 13 27.583 -8.834 -10.353 1.00 22.43 N ATOM 188 CA THR A 13 27.148 -8.022 -11.482 1.00 22.11 C ATOM 189 C THR A 13 25.640 -8.117 -11.679 1.00 15.04 C ATOM 190 O THR A 13 24.991 -7.142 -12.057 1.00 1.21 O ATOM 191 CB THR A 13 27.852 -8.448 -12.784 1.00 40.23 C ATOM 192 OG1 THR A 13 29.270 -8.302 -12.645 1.00 73.12 O ATOM 193 CG2 THR A 13 27.364 -7.615 -13.960 1.00 44.21 C ATOM 0 H THR A 13 28.348 -9.475 -10.564 1.00 22.43 H new ATOM 0 HA THR A 13 27.417 -6.991 -11.252 1.00 22.11 H new ATOM 0 HB THR A 13 27.612 -9.494 -12.975 1.00 40.23 H new ATOM 0 HG1 THR A 13 29.710 -8.577 -13.476 1.00 73.12 H new ATOM 0 HG21 THR A 13 27.875 -7.934 -14.869 1.00 44.21 H new ATOM 0 HG22 THR A 13 26.289 -7.751 -14.081 1.00 44.21 H new ATOM 0 HG23 THR A 13 27.578 -6.562 -13.774 1.00 44.21 H new ATOM 201 N MET A 14 25.087 -9.297 -11.419 1.00 34.22 N ATOM 202 CA MET A 14 23.653 -9.518 -11.566 1.00 14.22 C ATOM 203 C MET A 14 22.862 -8.568 -10.672 1.00 11.22 C ATOM 204 O MET A 14 22.006 -7.821 -11.147 1.00 64.13 O ATOM 205 CB MET A 14 23.301 -10.968 -11.227 1.00 14.54 C ATOM 206 CG MET A 14 21.940 -11.400 -11.747 1.00 74.25 C ATOM 207 SD MET A 14 22.045 -12.782 -12.901 1.00 74.01 S ATOM 208 CE MET A 14 21.839 -11.934 -14.465 1.00 42.31 C ATOM 0 H MET A 14 25.610 -10.115 -11.106 1.00 34.22 H new ATOM 0 HA MET A 14 23.385 -9.320 -12.604 1.00 14.22 H new ATOM 0 HB2 MET A 14 24.065 -11.625 -11.642 1.00 14.54 H new ATOM 0 HB3 MET A 14 23.325 -11.096 -10.145 1.00 14.54 H new ATOM 0 HG2 MET A 14 21.306 -11.681 -10.906 1.00 74.25 H new ATOM 0 HG3 MET A 14 21.459 -10.555 -12.240 1.00 74.25 H new ATOM 0 HE1 MET A 14 21.881 -12.657 -15.279 1.00 42.31 H new ATOM 0 HE2 MET A 14 20.874 -11.427 -14.480 1.00 42.31 H new ATOM 0 HE3 MET A 14 22.636 -11.201 -14.589 1.00 42.31 H new ATOM 218 N ARG A 15 23.153 -8.602 -9.376 1.00 5.23 N ATOM 219 CA ARG A 15 22.468 -7.745 -8.416 1.00 3.23 C ATOM 220 C ARG A 15 22.510 -6.286 -8.862 1.00 63.32 C ATOM 221 O ARG A 15 21.548 -5.542 -8.678 1.00 34.34 O ATOM 222 CB ARG A 15 23.104 -7.884 -7.031 1.00 52.12 C ATOM 223 CG ARG A 15 22.868 -9.240 -6.386 1.00 50.12 C ATOM 224 CD ARG A 15 21.817 -9.160 -5.290 1.00 74.35 C ATOM 225 NE ARG A 15 20.550 -9.759 -5.703 1.00 12.31 N ATOM 226 CZ ARG A 15 19.590 -9.088 -6.329 1.00 54.23 C ATOM 227 NH1 ARG A 15 19.751 -7.803 -6.614 1.00 64.14 N ATOM 228 NH2 ARG A 15 18.465 -9.702 -6.672 1.00 73.35 N ATOM 0 H ARG A 15 23.859 -9.214 -8.966 1.00 5.23 H new ATOM 0 HA ARG A 15 21.426 -8.061 -8.364 1.00 3.23 H new ATOM 0 HB2 ARG A 15 24.177 -7.713 -7.114 1.00 52.12 H new ATOM 0 HB3 ARG A 15 22.707 -7.107 -6.378 1.00 52.12 H new ATOM 0 HG2 ARG A 15 22.550 -9.955 -7.145 1.00 50.12 H new ATOM 0 HG3 ARG A 15 23.803 -9.613 -5.968 1.00 50.12 H new ATOM 0 HD2 ARG A 15 22.184 -9.667 -4.398 1.00 74.35 H new ATOM 0 HD3 ARG A 15 21.654 -8.117 -5.019 1.00 74.35 H new ATOM 0 HE ARG A 15 20.394 -10.746 -5.499 1.00 12.31 H new ATOM 0 HH11 ARG A 15 20.614 -7.327 -6.352 1.00 64.14 H new ATOM 0 HH12 ARG A 15 19.012 -7.291 -7.095 1.00 64.14 H new ATOM 0 HH21 ARG A 15 18.337 -10.690 -6.455 1.00 73.35 H new ATOM 0 HH22 ARG A 15 17.728 -9.186 -7.153 1.00 73.35 H new ATOM 242 N ALA A 16 23.633 -5.885 -9.450 1.00 13.20 N ATOM 243 CA ALA A 16 23.800 -4.517 -9.924 1.00 13.41 C ATOM 244 C ALA A 16 22.790 -4.188 -11.019 1.00 2.35 C ATOM 245 O ALA A 16 22.298 -3.062 -11.106 1.00 1.13 O ATOM 246 CB ALA A 16 25.218 -4.303 -10.430 1.00 45.12 C ATOM 0 H ALA A 16 24.440 -6.488 -9.609 1.00 13.20 H new ATOM 0 HA ALA A 16 23.620 -3.844 -9.086 1.00 13.41 H new ATOM 0 HB1 ALA A 16 25.328 -3.277 -10.781 1.00 45.12 H new ATOM 0 HB2 ALA A 16 25.925 -4.488 -9.621 1.00 45.12 H new ATOM 0 HB3 ALA A 16 25.419 -4.991 -11.251 1.00 45.12 H new ATOM 252 N LEU A 17 22.486 -5.176 -11.852 1.00 70.05 N ATOM 253 CA LEU A 17 21.535 -4.991 -12.943 1.00 72.40 C ATOM 254 C LEU A 17 20.105 -4.930 -12.414 1.00 63.23 C ATOM 255 O LEU A 17 19.369 -3.983 -12.693 1.00 73.24 O ATOM 256 CB LEU A 17 21.667 -6.127 -13.959 1.00 33.51 C ATOM 257 CG LEU A 17 20.637 -6.140 -15.089 1.00 72.30 C ATOM 258 CD1 LEU A 17 19.377 -6.873 -14.655 1.00 31.12 C ATOM 259 CD2 LEU A 17 20.306 -4.720 -15.526 1.00 25.53 C ATOM 0 H LEU A 17 22.884 -6.113 -11.794 1.00 70.05 H new ATOM 0 HA LEU A 17 21.762 -4.045 -13.434 1.00 72.40 H new ATOM 0 HB2 LEU A 17 22.662 -6.078 -14.402 1.00 33.51 H new ATOM 0 HB3 LEU A 17 21.602 -7.075 -13.425 1.00 33.51 H new ATOM 0 HG LEU A 17 21.066 -6.670 -15.939 1.00 72.30 H new ATOM 0 HD11 LEU A 17 18.656 -6.872 -15.472 1.00 31.12 H new ATOM 0 HD12 LEU A 17 19.626 -7.901 -14.392 1.00 31.12 H new ATOM 0 HD13 LEU A 17 18.945 -6.372 -13.789 1.00 31.12 H new ATOM 0 HD21 LEU A 17 19.571 -4.749 -16.331 1.00 25.53 H new ATOM 0 HD22 LEU A 17 19.897 -4.165 -14.681 1.00 25.53 H new ATOM 0 HD23 LEU A 17 21.212 -4.227 -15.879 1.00 25.53 H new ATOM 271 N LEU A 18 19.720 -5.944 -11.648 1.00 33.50 N ATOM 272 CA LEU A 18 18.379 -6.005 -11.077 1.00 75.53 C ATOM 273 C LEU A 18 18.119 -4.809 -10.168 1.00 54.42 C ATOM 274 O LEU A 18 17.042 -4.211 -10.203 1.00 21.52 O ATOM 275 CB LEU A 18 18.195 -7.306 -10.293 1.00 5.35 C ATOM 276 CG LEU A 18 18.091 -8.584 -11.126 1.00 5.42 C ATOM 277 CD1 LEU A 18 19.468 -9.194 -11.341 1.00 53.12 C ATOM 278 CD2 LEU A 18 17.162 -9.584 -10.454 1.00 54.24 C ATOM 0 H LEU A 18 20.317 -6.735 -11.408 1.00 33.50 H new ATOM 0 HA LEU A 18 17.661 -5.978 -11.897 1.00 75.53 H new ATOM 0 HB2 LEU A 18 19.033 -7.413 -9.604 1.00 5.35 H new ATOM 0 HB3 LEU A 18 17.293 -7.217 -9.687 1.00 5.35 H new ATOM 0 HG LEU A 18 17.673 -8.328 -12.100 1.00 5.42 H new ATOM 0 HD11 LEU A 18 19.375 -10.103 -11.936 1.00 53.12 H new ATOM 0 HD12 LEU A 18 20.104 -8.481 -11.865 1.00 53.12 H new ATOM 0 HD13 LEU A 18 19.913 -9.436 -10.376 1.00 53.12 H new ATOM 0 HD21 LEU A 18 17.100 -10.487 -11.061 1.00 54.24 H new ATOM 0 HD22 LEU A 18 17.551 -9.836 -9.467 1.00 54.24 H new ATOM 0 HD23 LEU A 18 16.169 -9.146 -10.352 1.00 54.24 H new ATOM 290 N HIS A 19 19.112 -4.462 -9.357 1.00 5.45 N ATOM 291 CA HIS A 19 18.992 -3.333 -8.440 1.00 24.52 C ATOM 292 C HIS A 19 18.609 -2.062 -9.190 1.00 51.25 C ATOM 293 O HIS A 19 17.745 -1.305 -8.749 1.00 34.54 O ATOM 294 CB HIS A 19 20.306 -3.119 -7.687 1.00 52.20 C ATOM 295 CG HIS A 19 20.293 -1.919 -6.790 1.00 62.24 C ATOM 296 ND1 HIS A 19 19.577 -1.657 -5.672 1.00 24.13 N flip ATOM 297 CD2 HIS A 19 21.085 -0.811 -7.005 1.00 73.13 C flip ATOM 298 CE1 HIS A 19 19.946 -0.409 -5.235 1.00 62.12 C flip ATOM 299 NE2 HIS A 19 20.858 0.080 -6.056 1.00 42.22 N flip ATOM 0 H HIS A 19 20.009 -4.946 -9.315 1.00 5.45 H new ATOM 0 HA HIS A 19 18.204 -3.561 -7.723 1.00 24.52 H new ATOM 0 HB2 HIS A 19 20.522 -4.006 -7.091 1.00 52.20 H new ATOM 0 HB3 HIS A 19 21.116 -3.014 -8.409 1.00 52.20 H new ATOM 0 HD2 HIS A 19 21.782 -0.690 -7.821 1.00 73.13 H new ATOM 0 HE1 HIS A 19 19.554 0.092 -4.362 1.00 62.12 H new ATOM 0 HE2 HIS A 19 21.310 0.990 -5.972 1.00 42.22 H new ATOM 307 N ALA A 20 19.258 -1.833 -10.327 1.00 43.22 N ATOM 308 CA ALA A 20 18.984 -0.654 -11.139 1.00 44.23 C ATOM 309 C ALA A 20 17.562 -0.684 -11.688 1.00 50.23 C ATOM 310 O ALA A 20 16.924 0.357 -11.846 1.00 53.53 O ATOM 311 CB ALA A 20 19.989 -0.552 -12.277 1.00 43.42 C ATOM 0 H ALA A 20 19.977 -2.449 -10.707 1.00 43.22 H new ATOM 0 HA ALA A 20 19.081 0.226 -10.503 1.00 44.23 H new ATOM 0 HB1 ALA A 20 19.773 0.333 -12.875 1.00 43.42 H new ATOM 0 HB2 ALA A 20 20.996 -0.476 -11.867 1.00 43.42 H new ATOM 0 HB3 ALA A 20 19.919 -1.440 -12.905 1.00 43.42 H new ATOM 317 N THR A 21 17.070 -1.884 -11.979 1.00 33.23 N ATOM 318 CA THR A 21 15.724 -2.050 -12.512 1.00 15.40 C ATOM 319 C THR A 21 14.683 -1.452 -11.572 1.00 74.12 C ATOM 320 O THR A 21 13.917 -0.567 -11.958 1.00 65.44 O ATOM 321 CB THR A 21 15.392 -3.535 -12.749 1.00 71.03 C ATOM 322 OG1 THR A 21 16.594 -4.271 -13.000 1.00 21.54 O ATOM 323 CG2 THR A 21 14.439 -3.696 -13.924 1.00 52.30 C ATOM 0 H THR A 21 17.584 -2.756 -11.854 1.00 33.23 H new ATOM 0 HA THR A 21 15.695 -1.523 -13.465 1.00 15.40 H new ATOM 0 HB THR A 21 14.908 -3.924 -11.853 1.00 71.03 H new ATOM 0 HG1 THR A 21 16.369 -5.146 -13.379 1.00 21.54 H new ATOM 0 HG21 THR A 21 14.219 -4.753 -14.072 1.00 52.30 H new ATOM 0 HG22 THR A 21 13.513 -3.158 -13.718 1.00 52.30 H new ATOM 0 HG23 THR A 21 14.901 -3.292 -14.825 1.00 52.30 H new ATOM 331 N LEU A 22 14.659 -1.940 -10.337 1.00 12.33 N ATOM 332 CA LEU A 22 13.711 -1.453 -9.340 1.00 43.21 C ATOM 333 C LEU A 22 14.072 -0.041 -8.890 1.00 52.42 C ATOM 334 O LEU A 22 13.206 0.827 -8.782 1.00 51.11 O ATOM 335 CB LEU A 22 13.682 -2.393 -8.134 1.00 13.33 C ATOM 336 CG LEU A 22 12.725 -3.582 -8.232 1.00 43.34 C ATOM 337 CD1 LEU A 22 13.076 -4.637 -7.195 1.00 2.32 C ATOM 338 CD2 LEU A 22 11.284 -3.123 -8.063 1.00 4.43 C ATOM 0 H LEU A 22 15.285 -2.672 -10.002 1.00 12.33 H new ATOM 0 HA LEU A 22 12.722 -1.427 -9.797 1.00 43.21 H new ATOM 0 HB2 LEU A 22 14.690 -2.776 -7.973 1.00 13.33 H new ATOM 0 HB3 LEU A 22 13.417 -1.811 -7.251 1.00 13.33 H new ATOM 0 HG LEU A 22 12.829 -4.027 -9.222 1.00 43.34 H new ATOM 0 HD11 LEU A 22 12.384 -5.475 -7.280 1.00 2.32 H new ATOM 0 HD12 LEU A 22 14.094 -4.988 -7.363 1.00 2.32 H new ATOM 0 HD13 LEU A 22 13.002 -4.205 -6.197 1.00 2.32 H new ATOM 0 HD21 LEU A 22 10.617 -3.982 -8.136 1.00 4.43 H new ATOM 0 HD22 LEU A 22 11.164 -2.652 -7.087 1.00 4.43 H new ATOM 0 HD23 LEU A 22 11.037 -2.405 -8.845 1.00 4.43 H new ATOM 350 N ALA A 23 15.356 0.183 -8.631 1.00 61.43 N ATOM 351 CA ALA A 23 15.832 1.490 -8.198 1.00 12.35 C ATOM 352 C ALA A 23 15.407 2.581 -9.175 1.00 13.12 C ATOM 353 O ALA A 23 14.781 3.566 -8.785 1.00 1.35 O ATOM 354 CB ALA A 23 17.346 1.477 -8.044 1.00 55.03 C ATOM 0 H ALA A 23 16.086 -0.525 -8.714 1.00 61.43 H new ATOM 0 HA ALA A 23 15.382 1.710 -7.230 1.00 12.35 H new ATOM 0 HB1 ALA A 23 17.687 2.460 -7.720 1.00 55.03 H new ATOM 0 HB2 ALA A 23 17.630 0.731 -7.301 1.00 55.03 H new ATOM 0 HB3 ALA A 23 17.807 1.230 -9.000 1.00 55.03 H new ATOM 360 N GLN A 24 15.751 2.398 -10.445 1.00 62.13 N ATOM 361 CA GLN A 24 15.406 3.368 -11.477 1.00 52.24 C ATOM 362 C GLN A 24 13.899 3.598 -11.526 1.00 11.11 C ATOM 363 O GLN A 24 13.439 4.703 -11.811 1.00 52.23 O ATOM 364 CB GLN A 24 15.905 2.892 -12.843 1.00 21.24 C ATOM 365 CG GLN A 24 17.414 2.980 -13.003 1.00 23.41 C ATOM 366 CD GLN A 24 17.920 4.409 -12.994 1.00 71.33 C ATOM 367 OE1 GLN A 24 17.551 5.215 -13.849 1.00 23.02 O ATOM 368 NE2 GLN A 24 18.769 4.731 -12.026 1.00 22.44 N ATOM 0 H GLN A 24 16.268 1.587 -10.784 1.00 62.13 H new ATOM 0 HA GLN A 24 15.892 4.312 -11.229 1.00 52.24 H new ATOM 0 HB2 GLN A 24 15.591 1.859 -12.996 1.00 21.24 H new ATOM 0 HB3 GLN A 24 15.430 3.488 -13.622 1.00 21.24 H new ATOM 0 HG2 GLN A 24 17.894 2.424 -12.198 1.00 23.41 H new ATOM 0 HG3 GLN A 24 17.705 2.502 -13.938 1.00 23.41 H new ATOM 0 HE21 GLN A 24 19.048 4.031 -11.338 1.00 22.44 H new ATOM 0 HE22 GLN A 24 19.143 5.678 -11.970 1.00 22.44 H new ATOM 377 N ALA A 25 13.136 2.547 -11.246 1.00 34.13 N ATOM 378 CA ALA A 25 11.681 2.635 -11.256 1.00 34.12 C ATOM 379 C ALA A 25 11.176 3.523 -10.123 1.00 65.21 C ATOM 380 O ALA A 25 10.056 4.029 -10.170 1.00 44.50 O ATOM 381 CB ALA A 25 11.067 1.246 -11.154 1.00 2.34 C ATOM 0 H ALA A 25 13.501 1.624 -11.009 1.00 34.13 H new ATOM 0 HA ALA A 25 11.376 3.087 -12.200 1.00 34.12 H new ATOM 0 HB1 ALA A 25 9.980 1.327 -11.163 1.00 2.34 H new ATOM 0 HB2 ALA A 25 11.392 0.641 -12.000 1.00 2.34 H new ATOM 0 HB3 ALA A 25 11.388 0.773 -10.226 1.00 2.34 H new ATOM 387 N GLY A 26 12.011 3.706 -9.105 1.00 4.53 N ATOM 388 CA GLY A 26 11.632 4.533 -7.974 1.00 35.22 C ATOM 389 C GLY A 26 11.677 3.776 -6.661 1.00 63.13 C ATOM 390 O GLY A 26 11.989 4.349 -5.617 1.00 24.40 O ATOM 0 H GLY A 26 12.943 3.296 -9.043 1.00 4.53 H new ATOM 0 HA2 GLY A 26 12.299 5.393 -7.917 1.00 35.22 H new ATOM 0 HA3 GLY A 26 10.626 4.920 -8.132 1.00 35.22 H new ATOM 394 N TYR A 27 11.364 2.486 -6.713 1.00 41.10 N ATOM 395 CA TYR A 27 11.367 1.650 -5.518 1.00 53.51 C ATOM 396 C TYR A 27 12.754 1.610 -4.885 1.00 1.03 C ATOM 397 O TYR A 27 13.765 1.771 -5.568 1.00 54.20 O ATOM 398 CB TYR A 27 10.909 0.232 -5.861 1.00 60.14 C ATOM 399 CG TYR A 27 9.665 0.188 -6.720 1.00 42.00 C ATOM 400 CD1 TYR A 27 9.715 -0.281 -8.027 1.00 22.54 C ATOM 401 CD2 TYR A 27 8.440 0.615 -6.224 1.00 14.41 C ATOM 402 CE1 TYR A 27 8.581 -0.322 -8.815 1.00 24.53 C ATOM 403 CE2 TYR A 27 7.300 0.577 -7.004 1.00 63.44 C ATOM 404 CZ TYR A 27 7.376 0.107 -8.299 1.00 45.42 C ATOM 405 OH TYR A 27 6.244 0.067 -9.081 1.00 25.34 O ATOM 0 H TYR A 27 11.105 1.996 -7.570 1.00 41.10 H new ATOM 0 HA TYR A 27 10.672 2.085 -4.799 1.00 53.51 H new ATOM 0 HB2 TYR A 27 11.716 -0.286 -6.379 1.00 60.14 H new ATOM 0 HB3 TYR A 27 10.721 -0.314 -4.936 1.00 60.14 H new ATOM 0 HD1 TYR A 27 10.657 -0.619 -8.434 1.00 22.54 H new ATOM 0 HD2 TYR A 27 8.377 0.983 -5.211 1.00 14.41 H new ATOM 0 HE1 TYR A 27 8.638 -0.688 -9.830 1.00 24.53 H new ATOM 0 HE2 TYR A 27 6.355 0.913 -6.602 1.00 63.44 H new ATOM 0 HH TYR A 27 5.480 0.403 -8.568 1.00 25.34 H new ATOM 415 N GLU A 28 12.793 1.393 -3.574 1.00 32.12 N ATOM 416 CA GLU A 28 14.056 1.331 -2.847 1.00 53.24 C ATOM 417 C GLU A 28 14.491 -0.116 -2.635 1.00 41.21 C ATOM 418 O GLU A 28 14.294 -0.684 -1.561 1.00 30.10 O ATOM 419 CB GLU A 28 13.928 2.040 -1.497 1.00 43.24 C ATOM 420 CG GLU A 28 15.250 2.196 -0.765 1.00 2.23 C ATOM 421 CD GLU A 28 16.096 3.325 -1.321 1.00 11.31 C ATOM 422 OE1 GLU A 28 15.742 4.501 -1.092 1.00 22.33 O ATOM 423 OE2 GLU A 28 17.112 3.033 -1.985 1.00 60.35 O ATOM 0 H GLU A 28 11.965 1.257 -2.994 1.00 32.12 H new ATOM 0 HA GLU A 28 14.815 1.836 -3.444 1.00 53.24 H new ATOM 0 HB2 GLU A 28 13.490 3.026 -1.654 1.00 43.24 H new ATOM 0 HB3 GLU A 28 13.237 1.481 -0.866 1.00 43.24 H new ATOM 0 HG2 GLU A 28 15.056 2.379 0.292 1.00 2.23 H new ATOM 0 HG3 GLU A 28 15.809 1.262 -0.830 1.00 2.23 H new ATOM 430 N VAL A 29 15.084 -0.707 -3.668 1.00 2.23 N ATOM 431 CA VAL A 29 15.548 -2.087 -3.595 1.00 44.04 C ATOM 432 C VAL A 29 16.937 -2.168 -2.971 1.00 41.25 C ATOM 433 O VAL A 29 17.842 -1.420 -3.344 1.00 22.23 O ATOM 434 CB VAL A 29 15.585 -2.741 -4.990 1.00 2.54 C ATOM 435 CG1 VAL A 29 16.397 -1.892 -5.956 1.00 40.31 C ATOM 436 CG2 VAL A 29 16.149 -4.151 -4.902 1.00 4.51 C ATOM 0 H VAL A 29 15.254 -0.252 -4.565 1.00 2.23 H new ATOM 0 HA VAL A 29 14.839 -2.627 -2.967 1.00 44.04 H new ATOM 0 HB VAL A 29 14.565 -2.805 -5.370 1.00 2.54 H new ATOM 0 HG11 VAL A 29 16.412 -2.369 -6.936 1.00 40.31 H new ATOM 0 HG12 VAL A 29 15.945 -0.904 -6.041 1.00 40.31 H new ATOM 0 HG13 VAL A 29 17.417 -1.793 -5.585 1.00 40.31 H new ATOM 0 HG21 VAL A 29 16.168 -4.598 -5.896 1.00 4.51 H new ATOM 0 HG22 VAL A 29 17.162 -4.113 -4.502 1.00 4.51 H new ATOM 0 HG23 VAL A 29 15.522 -4.753 -4.245 1.00 4.51 H new ATOM 446 N THR A 30 17.100 -3.081 -2.019 1.00 71.23 N ATOM 447 CA THR A 30 18.378 -3.260 -1.342 1.00 61.14 C ATOM 448 C THR A 30 18.897 -4.683 -1.515 1.00 44.12 C ATOM 449 O THR A 30 18.139 -5.648 -1.417 1.00 52.42 O ATOM 450 CB THR A 30 18.266 -2.946 0.161 1.00 4.44 C ATOM 451 OG1 THR A 30 17.822 -1.597 0.348 1.00 21.22 O ATOM 452 CG2 THR A 30 19.605 -3.145 0.857 1.00 55.01 C ATOM 0 H THR A 30 16.362 -3.708 -1.699 1.00 71.23 H new ATOM 0 HA THR A 30 19.079 -2.562 -1.800 1.00 61.14 H new ATOM 0 HB THR A 30 17.541 -3.631 0.600 1.00 4.44 H new ATOM 0 HG1 THR A 30 17.752 -1.406 1.307 1.00 21.22 H new ATOM 0 HG21 THR A 30 19.501 -2.917 1.918 1.00 55.01 H new ATOM 0 HG22 THR A 30 19.927 -4.180 0.738 1.00 55.01 H new ATOM 0 HG23 THR A 30 20.347 -2.481 0.414 1.00 55.01 H new ATOM 460 N VAL A 31 20.196 -4.807 -1.772 1.00 53.02 N ATOM 461 CA VAL A 31 20.817 -6.113 -1.957 1.00 0.01 C ATOM 462 C VAL A 31 21.642 -6.506 -0.737 1.00 21.42 C ATOM 463 O VAL A 31 22.320 -5.672 -0.138 1.00 12.02 O ATOM 464 CB VAL A 31 21.722 -6.133 -3.203 1.00 51.11 C ATOM 465 CG1 VAL A 31 20.942 -5.704 -4.437 1.00 32.54 C ATOM 466 CG2 VAL A 31 22.936 -5.241 -2.994 1.00 1.34 C ATOM 0 H VAL A 31 20.838 -4.019 -1.857 1.00 53.02 H new ATOM 0 HA VAL A 31 20.009 -6.832 -2.093 1.00 0.01 H new ATOM 0 HB VAL A 31 22.072 -7.153 -3.360 1.00 51.11 H new ATOM 0 HG11 VAL A 31 21.598 -5.724 -5.307 1.00 32.54 H new ATOM 0 HG12 VAL A 31 20.107 -6.387 -4.596 1.00 32.54 H new ATOM 0 HG13 VAL A 31 20.561 -4.693 -4.293 1.00 32.54 H new ATOM 0 HG21 VAL A 31 23.564 -5.267 -3.884 1.00 1.34 H new ATOM 0 HG22 VAL A 31 22.608 -4.218 -2.811 1.00 1.34 H new ATOM 0 HG23 VAL A 31 23.507 -5.598 -2.137 1.00 1.34 H new ATOM 476 N ALA A 32 21.580 -7.784 -0.374 1.00 42.52 N ATOM 477 CA ALA A 32 22.324 -8.289 0.773 1.00 12.21 C ATOM 478 C ALA A 32 23.572 -9.043 0.329 1.00 23.42 C ATOM 479 O ALA A 32 23.884 -9.101 -0.860 1.00 31.41 O ATOM 480 CB ALA A 32 21.437 -9.186 1.623 1.00 33.23 C ATOM 0 H ALA A 32 21.022 -8.488 -0.858 1.00 42.52 H new ATOM 0 HA ALA A 32 22.642 -7.436 1.373 1.00 12.21 H new ATOM 0 HB1 ALA A 32 22.005 -9.556 2.476 1.00 33.23 H new ATOM 0 HB2 ALA A 32 20.578 -8.617 1.978 1.00 33.23 H new ATOM 0 HB3 ALA A 32 21.091 -10.029 1.024 1.00 33.23 H new ATOM 486 N ALA A 33 24.284 -9.620 1.293 1.00 53.44 N ATOM 487 CA ALA A 33 25.498 -10.372 1.000 1.00 14.42 C ATOM 488 C ALA A 33 25.182 -11.837 0.722 1.00 31.33 C ATOM 489 O ALA A 33 25.802 -12.464 -0.137 1.00 43.31 O ATOM 490 CB ALA A 33 26.483 -10.251 2.153 1.00 64.40 C ATOM 0 H ALA A 33 24.041 -9.581 2.283 1.00 53.44 H new ATOM 0 HA ALA A 33 25.951 -9.950 0.103 1.00 14.42 H new ATOM 0 HB1 ALA A 33 27.385 -10.817 1.922 1.00 64.40 H new ATOM 0 HB2 ALA A 33 26.741 -9.203 2.303 1.00 64.40 H new ATOM 0 HB3 ALA A 33 26.030 -10.647 3.062 1.00 64.40 H new ATOM 496 N ASP A 34 24.215 -12.378 1.455 1.00 74.43 N ATOM 497 CA ASP A 34 23.816 -13.771 1.287 1.00 63.15 C ATOM 498 C ASP A 34 22.350 -13.966 1.659 1.00 53.54 C ATOM 499 O ASP A 34 21.749 -13.120 2.321 1.00 64.31 O ATOM 500 CB ASP A 34 24.697 -14.683 2.142 1.00 45.30 C ATOM 501 CG ASP A 34 24.702 -16.115 1.646 1.00 62.23 C ATOM 502 OD1 ASP A 34 25.374 -16.388 0.630 1.00 63.44 O ATOM 503 OD2 ASP A 34 24.033 -16.963 2.273 1.00 30.01 O ATOM 0 H ASP A 34 23.693 -11.873 2.171 1.00 74.43 H new ATOM 0 HA ASP A 34 23.944 -14.035 0.237 1.00 63.15 H new ATOM 0 HB2 ASP A 34 25.717 -14.299 2.145 1.00 45.30 H new ATOM 0 HB3 ASP A 34 24.345 -14.660 3.173 1.00 45.30 H new ATOM 508 N GLY A 35 21.778 -15.086 1.226 1.00 10.53 N ATOM 509 CA GLY A 35 20.386 -15.370 1.523 1.00 61.05 C ATOM 510 C GLY A 35 20.073 -15.257 3.001 1.00 23.45 C ATOM 511 O GLY A 35 18.968 -14.872 3.380 1.00 31.04 O ATOM 0 H GLY A 35 22.253 -15.801 0.675 1.00 10.53 H new ATOM 0 HA2 GLY A 35 19.751 -14.680 0.967 1.00 61.05 H new ATOM 0 HA3 GLY A 35 20.142 -16.375 1.179 1.00 61.05 H new ATOM 515 N GLU A 36 21.049 -15.596 3.839 1.00 71.34 N ATOM 516 CA GLU A 36 20.870 -15.533 5.284 1.00 20.34 C ATOM 517 C GLU A 36 20.861 -14.086 5.769 1.00 25.31 C ATOM 518 O GLU A 36 19.990 -13.684 6.539 1.00 3.23 O ATOM 519 CB GLU A 36 21.980 -16.313 5.992 1.00 31.24 C ATOM 520 CG GLU A 36 21.995 -16.119 7.499 1.00 14.52 C ATOM 521 CD GLU A 36 22.560 -17.317 8.237 1.00 53.12 C ATOM 522 OE1 GLU A 36 22.035 -17.649 9.320 1.00 71.21 O ATOM 523 OE2 GLU A 36 23.527 -17.923 7.730 1.00 41.42 O ATOM 0 H GLU A 36 21.970 -15.917 3.541 1.00 71.34 H new ATOM 0 HA GLU A 36 19.908 -15.985 5.525 1.00 20.34 H new ATOM 0 HB2 GLU A 36 21.864 -17.374 5.772 1.00 31.24 H new ATOM 0 HB3 GLU A 36 22.944 -16.007 5.585 1.00 31.24 H new ATOM 0 HG2 GLU A 36 22.586 -15.236 7.742 1.00 14.52 H new ATOM 0 HG3 GLU A 36 20.980 -15.929 7.847 1.00 14.52 H new ATOM 530 N ALA A 37 21.838 -13.310 5.312 1.00 4.31 N ATOM 531 CA ALA A 37 21.943 -11.908 5.697 1.00 2.21 C ATOM 532 C ALA A 37 20.713 -11.123 5.253 1.00 64.00 C ATOM 533 O ALA A 37 20.270 -10.204 5.940 1.00 41.31 O ATOM 534 CB ALA A 37 23.205 -11.292 5.110 1.00 32.23 C ATOM 0 H ALA A 37 22.568 -13.628 4.675 1.00 4.31 H new ATOM 0 HA ALA A 37 22.000 -11.859 6.784 1.00 2.21 H new ATOM 0 HB1 ALA A 37 23.270 -10.245 5.406 1.00 32.23 H new ATOM 0 HB2 ALA A 37 24.078 -11.829 5.481 1.00 32.23 H new ATOM 0 HB3 ALA A 37 23.172 -11.361 4.023 1.00 32.23 H new ATOM 540 N GLY A 38 20.167 -11.492 4.098 1.00 14.05 N ATOM 541 CA GLY A 38 18.993 -10.811 3.582 1.00 24.43 C ATOM 542 C GLY A 38 17.734 -11.167 4.346 1.00 35.33 C ATOM 543 O GLY A 38 16.990 -10.286 4.777 1.00 0.41 O ATOM 0 H GLY A 38 20.516 -12.249 3.511 1.00 14.05 H new ATOM 0 HA2 GLY A 38 19.151 -9.734 3.630 1.00 24.43 H new ATOM 0 HA3 GLY A 38 18.861 -11.067 2.531 1.00 24.43 H new ATOM 547 N PHE A 39 17.491 -12.463 4.514 1.00 62.12 N ATOM 548 CA PHE A 39 16.311 -12.934 5.229 1.00 53.02 C ATOM 549 C PHE A 39 16.371 -12.535 6.700 1.00 22.35 C ATOM 550 O PHE A 39 15.407 -12.003 7.251 1.00 70.23 O ATOM 551 CB PHE A 39 16.186 -14.454 5.105 1.00 10.12 C ATOM 552 CG PHE A 39 15.230 -14.892 4.033 1.00 54.31 C ATOM 553 CD1 PHE A 39 13.918 -14.445 4.031 1.00 1.34 C ATOM 554 CD2 PHE A 39 15.642 -15.750 3.026 1.00 3.43 C ATOM 555 CE1 PHE A 39 13.036 -14.847 3.046 1.00 0.33 C ATOM 556 CE2 PHE A 39 14.765 -16.155 2.038 1.00 13.32 C ATOM 557 CZ PHE A 39 13.460 -15.702 2.048 1.00 41.32 C ATOM 0 H PHE A 39 18.096 -13.206 4.164 1.00 62.12 H new ATOM 0 HA PHE A 39 15.434 -12.467 4.780 1.00 53.02 H new ATOM 0 HB2 PHE A 39 17.170 -14.876 4.898 1.00 10.12 H new ATOM 0 HB3 PHE A 39 15.859 -14.863 6.061 1.00 10.12 H new ATOM 0 HD1 PHE A 39 13.581 -13.775 4.808 1.00 1.34 H new ATOM 0 HD2 PHE A 39 16.661 -16.107 3.013 1.00 3.43 H new ATOM 0 HE1 PHE A 39 12.016 -14.493 3.057 1.00 0.33 H new ATOM 0 HE2 PHE A 39 15.099 -16.825 1.259 1.00 13.32 H new ATOM 0 HZ PHE A 39 12.773 -16.016 1.277 1.00 41.32 H new ATOM 567 N ASP A 40 17.510 -12.797 7.332 1.00 64.24 N ATOM 568 CA ASP A 40 17.698 -12.466 8.739 1.00 3.13 C ATOM 569 C ASP A 40 17.343 -11.007 9.006 1.00 15.33 C ATOM 570 O ASP A 40 16.784 -10.674 10.053 1.00 63.03 O ATOM 571 CB ASP A 40 19.143 -12.737 9.161 1.00 44.25 C ATOM 572 CG ASP A 40 19.437 -12.252 10.567 1.00 42.35 C ATOM 573 OD1 ASP A 40 19.522 -13.098 11.480 1.00 30.52 O ATOM 574 OD2 ASP A 40 19.582 -11.025 10.753 1.00 34.23 O ATOM 0 H ASP A 40 18.317 -13.238 6.891 1.00 64.24 H new ATOM 0 HA ASP A 40 17.032 -13.097 9.327 1.00 3.13 H new ATOM 0 HB2 ASP A 40 19.341 -13.807 9.100 1.00 44.25 H new ATOM 0 HB3 ASP A 40 19.820 -12.247 8.462 1.00 44.25 H new ATOM 579 N LEU A 41 17.670 -10.140 8.055 1.00 51.34 N ATOM 580 CA LEU A 41 17.386 -8.715 8.187 1.00 40.11 C ATOM 581 C LEU A 41 15.952 -8.404 7.770 1.00 61.42 C ATOM 582 O LEU A 41 15.315 -7.508 8.322 1.00 50.23 O ATOM 583 CB LEU A 41 18.364 -7.899 7.339 1.00 32.14 C ATOM 584 CG LEU A 41 19.823 -7.914 7.797 1.00 13.42 C ATOM 585 CD1 LEU A 41 20.707 -7.201 6.786 1.00 53.24 C ATOM 586 CD2 LEU A 41 19.957 -7.273 9.171 1.00 40.42 C ATOM 0 H LEU A 41 18.132 -10.398 7.183 1.00 51.34 H new ATOM 0 HA LEU A 41 17.507 -8.442 9.235 1.00 40.11 H new ATOM 0 HB2 LEU A 41 18.322 -8.269 6.315 1.00 32.14 H new ATOM 0 HB3 LEU A 41 18.021 -6.865 7.319 1.00 32.14 H new ATOM 0 HG LEU A 41 20.151 -8.951 7.868 1.00 13.42 H new ATOM 0 HD11 LEU A 41 21.742 -7.222 7.129 1.00 53.24 H new ATOM 0 HD12 LEU A 41 20.634 -7.703 5.821 1.00 53.24 H new ATOM 0 HD13 LEU A 41 20.380 -6.166 6.682 1.00 53.24 H new ATOM 0 HD21 LEU A 41 21.002 -7.292 9.481 1.00 40.42 H new ATOM 0 HD22 LEU A 41 19.611 -6.240 9.126 1.00 40.42 H new ATOM 0 HD23 LEU A 41 19.354 -7.827 9.891 1.00 40.42 H new ATOM 598 N ALA A 42 15.450 -9.153 6.793 1.00 30.23 N ATOM 599 CA ALA A 42 14.090 -8.961 6.305 1.00 0.23 C ATOM 600 C ALA A 42 13.082 -9.026 7.448 1.00 4.20 C ATOM 601 O ALA A 42 11.999 -8.447 7.367 1.00 63.24 O ATOM 602 CB ALA A 42 13.757 -10.001 5.246 1.00 44.01 C ATOM 0 H ALA A 42 15.965 -9.898 6.324 1.00 30.23 H new ATOM 0 HA ALA A 42 14.028 -7.969 5.857 1.00 0.23 H new ATOM 0 HB1 ALA A 42 12.738 -9.845 4.891 1.00 44.01 H new ATOM 0 HB2 ALA A 42 14.451 -9.905 4.411 1.00 44.01 H new ATOM 0 HB3 ALA A 42 13.843 -10.999 5.676 1.00 44.01 H new ATOM 608 N ALA A 43 13.446 -9.734 8.512 1.00 61.20 N ATOM 609 CA ALA A 43 12.574 -9.873 9.672 1.00 61.54 C ATOM 610 C ALA A 43 12.734 -8.693 10.623 1.00 14.24 C ATOM 611 O ALA A 43 11.805 -8.337 11.350 1.00 60.01 O ATOM 612 CB ALA A 43 12.863 -11.180 10.395 1.00 20.24 C ATOM 0 H ALA A 43 14.339 -10.220 8.595 1.00 61.20 H new ATOM 0 HA ALA A 43 11.542 -9.885 9.321 1.00 61.54 H new ATOM 0 HB1 ALA A 43 12.205 -11.271 11.259 1.00 20.24 H new ATOM 0 HB2 ALA A 43 12.690 -12.016 9.718 1.00 20.24 H new ATOM 0 HB3 ALA A 43 13.901 -11.190 10.727 1.00 20.24 H new ATOM 618 N THR A 44 13.918 -8.088 10.616 1.00 74.13 N ATOM 619 CA THR A 44 14.199 -6.949 11.480 1.00 45.34 C ATOM 620 C THR A 44 13.755 -5.643 10.830 1.00 24.10 C ATOM 621 O THR A 44 13.425 -4.676 11.517 1.00 1.12 O ATOM 622 CB THR A 44 15.700 -6.857 11.817 1.00 53.23 C ATOM 623 OG1 THR A 44 15.872 -6.463 13.183 1.00 74.23 O ATOM 624 CG2 THR A 44 16.399 -5.860 10.905 1.00 62.43 C ATOM 0 H THR A 44 14.698 -8.368 10.021 1.00 74.13 H new ATOM 0 HA THR A 44 13.636 -7.104 12.400 1.00 45.34 H new ATOM 0 HB THR A 44 16.145 -7.840 11.664 1.00 53.23 H new ATOM 0 HG1 THR A 44 16.828 -6.408 13.390 1.00 74.23 H new ATOM 0 HG21 THR A 44 17.457 -5.812 11.162 1.00 62.43 H new ATOM 0 HG22 THR A 44 16.291 -6.178 9.868 1.00 62.43 H new ATOM 0 HG23 THR A 44 15.950 -4.875 11.031 1.00 62.43 H new ATOM 632 N THR A 45 13.749 -5.621 9.501 1.00 75.03 N ATOM 633 CA THR A 45 13.345 -4.434 8.758 1.00 2.31 C ATOM 634 C THR A 45 11.924 -4.575 8.224 1.00 23.33 C ATOM 635 O THR A 45 11.173 -3.603 8.167 1.00 12.43 O ATOM 636 CB THR A 45 14.299 -4.157 7.580 1.00 14.14 C ATOM 637 OG1 THR A 45 15.531 -3.613 8.065 1.00 2.24 O ATOM 638 CG2 THR A 45 13.668 -3.191 6.589 1.00 74.22 C ATOM 0 H THR A 45 14.020 -6.412 8.917 1.00 75.03 H new ATOM 0 HA THR A 45 13.386 -3.597 9.455 1.00 2.31 H new ATOM 0 HB THR A 45 14.495 -5.100 7.070 1.00 14.14 H new ATOM 0 HG1 THR A 45 16.132 -3.441 7.310 1.00 2.24 H new ATOM 0 HG21 THR A 45 14.360 -3.010 5.766 1.00 74.22 H new ATOM 0 HG22 THR A 45 12.745 -3.621 6.200 1.00 74.22 H new ATOM 0 HG23 THR A 45 13.446 -2.249 7.090 1.00 74.22 H new ATOM 646 N ALA A 46 11.562 -5.793 7.835 1.00 62.32 N ATOM 647 CA ALA A 46 10.230 -6.062 7.308 1.00 30.31 C ATOM 648 C ALA A 46 9.997 -5.319 5.997 1.00 5.12 C ATOM 649 O ALA A 46 9.406 -4.239 5.981 1.00 2.01 O ATOM 650 CB ALA A 46 9.171 -5.677 8.330 1.00 33.54 C ATOM 0 H ALA A 46 12.173 -6.609 7.875 1.00 62.32 H new ATOM 0 HA ALA A 46 10.155 -7.131 7.107 1.00 30.31 H new ATOM 0 HB1 ALA A 46 8.181 -5.883 7.923 1.00 33.54 H new ATOM 0 HB2 ALA A 46 9.317 -6.257 9.241 1.00 33.54 H new ATOM 0 HB3 ALA A 46 9.255 -4.615 8.559 1.00 33.54 H new ATOM 656 N TYR A 47 10.467 -5.903 4.900 1.00 15.12 N ATOM 657 CA TYR A 47 10.312 -5.294 3.584 1.00 3.25 C ATOM 658 C TYR A 47 8.972 -5.673 2.962 1.00 32.03 C ATOM 659 O TYR A 47 8.225 -6.481 3.514 1.00 12.05 O ATOM 660 CB TYR A 47 11.455 -5.724 2.663 1.00 72.20 C ATOM 661 CG TYR A 47 12.814 -5.243 3.118 1.00 11.21 C ATOM 662 CD1 TYR A 47 13.520 -5.922 4.103 1.00 35.24 C ATOM 663 CD2 TYR A 47 13.393 -4.109 2.562 1.00 51.41 C ATOM 664 CE1 TYR A 47 14.761 -5.485 4.523 1.00 61.33 C ATOM 665 CE2 TYR A 47 14.635 -3.665 2.974 1.00 73.30 C ATOM 666 CZ TYR A 47 15.315 -4.357 3.955 1.00 54.31 C ATOM 667 OH TYR A 47 16.552 -3.919 4.369 1.00 72.11 O ATOM 0 H TYR A 47 10.958 -6.797 4.896 1.00 15.12 H new ATOM 0 HA TYR A 47 10.341 -4.211 3.707 1.00 3.25 H new ATOM 0 HB2 TYR A 47 11.467 -6.812 2.597 1.00 72.20 H new ATOM 0 HB3 TYR A 47 11.263 -5.346 1.659 1.00 72.20 H new ATOM 0 HD1 TYR A 47 13.091 -6.807 4.548 1.00 35.24 H new ATOM 0 HD2 TYR A 47 12.863 -3.565 1.794 1.00 51.41 H new ATOM 0 HE1 TYR A 47 15.295 -6.024 5.292 1.00 61.33 H new ATOM 0 HE2 TYR A 47 15.071 -2.782 2.531 1.00 73.30 H new ATOM 0 HH TYR A 47 16.798 -3.113 3.869 1.00 72.11 H new ATOM 677 N ASP A 48 8.675 -5.084 1.809 1.00 33.03 N ATOM 678 CA ASP A 48 7.426 -5.360 1.109 1.00 35.13 C ATOM 679 C ASP A 48 7.577 -6.560 0.180 1.00 21.30 C ATOM 680 O ASP A 48 6.646 -7.349 0.010 1.00 43.11 O ATOM 681 CB ASP A 48 6.982 -4.134 0.310 1.00 11.44 C ATOM 682 CG ASP A 48 6.023 -3.252 1.087 1.00 24.40 C ATOM 683 OD1 ASP A 48 4.797 -3.449 0.955 1.00 10.21 O ATOM 684 OD2 ASP A 48 6.500 -2.367 1.827 1.00 13.04 O ATOM 0 H ASP A 48 9.282 -4.412 1.339 1.00 33.03 H new ATOM 0 HA ASP A 48 6.665 -5.593 1.854 1.00 35.13 H new ATOM 0 HB2 ASP A 48 7.859 -3.551 0.027 1.00 11.44 H new ATOM 0 HB3 ASP A 48 6.504 -4.460 -0.614 1.00 11.44 H new ATOM 689 N LEU A 49 8.755 -6.692 -0.420 1.00 30.31 N ATOM 690 CA LEU A 49 9.029 -7.796 -1.334 1.00 32.25 C ATOM 691 C LEU A 49 10.427 -8.360 -1.103 1.00 44.40 C ATOM 692 O LEU A 49 11.411 -7.620 -1.084 1.00 41.44 O ATOM 693 CB LEU A 49 8.887 -7.331 -2.784 1.00 34.12 C ATOM 694 CG LEU A 49 8.220 -8.318 -3.743 1.00 12.21 C ATOM 695 CD1 LEU A 49 8.175 -7.746 -5.151 1.00 64.03 C ATOM 696 CD2 LEU A 49 8.952 -9.652 -3.730 1.00 10.23 C ATOM 0 H LEU A 49 9.536 -6.049 -0.290 1.00 30.31 H new ATOM 0 HA LEU A 49 8.303 -8.585 -1.140 1.00 32.25 H new ATOM 0 HB2 LEU A 49 8.314 -6.404 -2.793 1.00 34.12 H new ATOM 0 HB3 LEU A 49 9.880 -7.096 -3.168 1.00 34.12 H new ATOM 0 HG LEU A 49 7.196 -8.485 -3.408 1.00 12.21 H new ATOM 0 HD11 LEU A 49 7.697 -8.462 -5.820 1.00 64.03 H new ATOM 0 HD12 LEU A 49 7.606 -6.816 -5.148 1.00 64.03 H new ATOM 0 HD13 LEU A 49 9.190 -7.549 -5.496 1.00 64.03 H new ATOM 0 HD21 LEU A 49 8.463 -10.342 -4.418 1.00 10.23 H new ATOM 0 HD22 LEU A 49 9.986 -9.502 -4.039 1.00 10.23 H new ATOM 0 HD23 LEU A 49 8.931 -10.069 -2.723 1.00 10.23 H new ATOM 708 N VAL A 50 10.509 -9.675 -0.930 1.00 32.12 N ATOM 709 CA VAL A 50 11.787 -10.339 -0.704 1.00 42.21 C ATOM 710 C VAL A 50 12.145 -11.254 -1.870 1.00 12.21 C ATOM 711 O VAL A 50 11.276 -11.907 -2.450 1.00 4.01 O ATOM 712 CB VAL A 50 11.769 -11.165 0.596 1.00 72.03 C ATOM 713 CG1 VAL A 50 13.156 -11.707 0.904 1.00 62.45 C ATOM 714 CG2 VAL A 50 11.247 -10.326 1.752 1.00 34.23 C ATOM 0 H VAL A 50 9.705 -10.302 -0.942 1.00 32.12 H new ATOM 0 HA VAL A 50 12.539 -9.555 -0.617 1.00 42.21 H new ATOM 0 HB VAL A 50 11.097 -12.012 0.459 1.00 72.03 H new ATOM 0 HG11 VAL A 50 13.123 -12.288 1.826 1.00 62.45 H new ATOM 0 HG12 VAL A 50 13.488 -12.345 0.085 1.00 62.45 H new ATOM 0 HG13 VAL A 50 13.853 -10.877 1.022 1.00 62.45 H new ATOM 0 HG21 VAL A 50 11.241 -10.925 2.663 1.00 34.23 H new ATOM 0 HG22 VAL A 50 11.892 -9.459 1.892 1.00 34.23 H new ATOM 0 HG23 VAL A 50 10.233 -9.992 1.531 1.00 34.23 H new ATOM 724 N LEU A 51 13.429 -11.297 -2.209 1.00 14.15 N ATOM 725 CA LEU A 51 13.903 -12.133 -3.306 1.00 33.01 C ATOM 726 C LEU A 51 15.106 -12.966 -2.875 1.00 42.55 C ATOM 727 O LEU A 51 16.183 -12.430 -2.609 1.00 14.02 O ATOM 728 CB LEU A 51 14.273 -11.266 -4.511 1.00 35.13 C ATOM 729 CG LEU A 51 13.173 -11.063 -5.554 1.00 65.33 C ATOM 730 CD1 LEU A 51 12.850 -12.376 -6.251 1.00 1.20 C ATOM 731 CD2 LEU A 51 11.926 -10.479 -4.908 1.00 51.32 C ATOM 0 H LEU A 51 14.160 -10.763 -1.740 1.00 14.15 H new ATOM 0 HA LEU A 51 13.098 -12.811 -3.588 1.00 33.01 H new ATOM 0 HB2 LEU A 51 14.586 -10.287 -4.147 1.00 35.13 H new ATOM 0 HB3 LEU A 51 15.136 -11.714 -5.004 1.00 35.13 H new ATOM 0 HG LEU A 51 13.534 -10.357 -6.302 1.00 65.33 H new ATOM 0 HD11 LEU A 51 12.065 -12.212 -6.990 1.00 1.20 H new ATOM 0 HD12 LEU A 51 13.744 -12.753 -6.748 1.00 1.20 H new ATOM 0 HD13 LEU A 51 12.509 -13.104 -5.515 1.00 1.20 H new ATOM 0 HD21 LEU A 51 11.154 -10.342 -5.665 1.00 51.32 H new ATOM 0 HD22 LEU A 51 11.562 -11.160 -4.138 1.00 51.32 H new ATOM 0 HD23 LEU A 51 12.167 -9.517 -4.457 1.00 51.32 H new ATOM 743 N THR A 52 14.918 -14.280 -2.812 1.00 33.14 N ATOM 744 CA THR A 52 15.987 -15.187 -2.415 1.00 22.10 C ATOM 745 C THR A 52 16.306 -16.181 -3.526 1.00 54.01 C ATOM 746 O THR A 52 15.487 -16.417 -4.415 1.00 14.44 O ATOM 747 CB THR A 52 15.620 -15.964 -1.137 1.00 32.04 C ATOM 748 OG1 THR A 52 16.595 -16.982 -0.885 1.00 32.12 O ATOM 749 CG2 THR A 52 14.242 -16.595 -1.264 1.00 75.12 C ATOM 0 H THR A 52 14.034 -14.740 -3.031 1.00 33.14 H new ATOM 0 HA THR A 52 16.865 -14.572 -2.218 1.00 22.10 H new ATOM 0 HB THR A 52 15.605 -15.262 -0.304 1.00 32.04 H new ATOM 0 HG1 THR A 52 17.123 -16.741 -0.096 1.00 32.12 H new ATOM 0 HG21 THR A 52 14.005 -17.138 -0.349 1.00 75.12 H new ATOM 0 HG22 THR A 52 13.498 -15.815 -1.426 1.00 75.12 H new ATOM 0 HG23 THR A 52 14.234 -17.285 -2.108 1.00 75.12 H new ATOM 757 N ASP A 53 17.499 -16.762 -3.470 1.00 1.41 N ATOM 758 CA ASP A 53 17.925 -17.732 -4.471 1.00 60.34 C ATOM 759 C ASP A 53 18.522 -18.970 -3.809 1.00 61.00 C ATOM 760 O ASP A 53 18.258 -20.097 -4.227 1.00 50.11 O ATOM 761 CB ASP A 53 18.947 -17.103 -5.420 1.00 74.41 C ATOM 762 CG ASP A 53 20.232 -16.719 -4.714 1.00 41.14 C ATOM 763 OD1 ASP A 53 20.163 -15.952 -3.731 1.00 30.33 O ATOM 764 OD2 ASP A 53 21.307 -17.185 -5.145 1.00 63.41 O ATOM 0 H ASP A 53 18.189 -16.578 -2.741 1.00 1.41 H new ATOM 0 HA ASP A 53 17.048 -18.035 -5.043 1.00 60.34 H new ATOM 0 HB2 ASP A 53 19.173 -17.805 -6.223 1.00 74.41 H new ATOM 0 HB3 ASP A 53 18.512 -16.218 -5.883 1.00 74.41 H new ATOM 769 N GLN A 54 19.328 -18.751 -2.775 1.00 62.02 N ATOM 770 CA GLN A 54 19.964 -19.849 -2.057 1.00 32.22 C ATOM 771 C GLN A 54 18.923 -20.841 -1.548 1.00 64.41 C ATOM 772 O GLN A 54 17.829 -20.454 -1.141 1.00 3.23 O ATOM 773 CB GLN A 54 20.788 -19.311 -0.886 1.00 21.10 C ATOM 774 CG GLN A 54 22.233 -19.008 -1.248 1.00 1.13 C ATOM 775 CD GLN A 54 23.013 -20.251 -1.628 1.00 32.22 C ATOM 776 OE1 GLN A 54 22.826 -21.318 -1.043 1.00 33.44 O ATOM 777 NE2 GLN A 54 23.894 -20.120 -2.613 1.00 15.01 N ATOM 0 H GLN A 54 19.556 -17.824 -2.416 1.00 62.02 H new ATOM 0 HA GLN A 54 20.626 -20.368 -2.750 1.00 32.22 H new ATOM 0 HB2 GLN A 54 20.318 -18.402 -0.509 1.00 21.10 H new ATOM 0 HB3 GLN A 54 20.770 -20.039 -0.075 1.00 21.10 H new ATOM 0 HG2 GLN A 54 22.255 -18.302 -2.078 1.00 1.13 H new ATOM 0 HG3 GLN A 54 22.721 -18.522 -0.403 1.00 1.13 H new ATOM 0 HE21 GLN A 54 24.017 -19.217 -3.071 1.00 15.01 H new ATOM 0 HE22 GLN A 54 24.448 -20.923 -2.912 1.00 15.01 H new ATOM 786 N ASN A 55 19.273 -22.124 -1.575 1.00 54.53 N ATOM 787 CA ASN A 55 18.368 -23.172 -1.118 1.00 0.04 C ATOM 788 C ASN A 55 19.007 -23.993 -0.002 1.00 23.20 C ATOM 789 O ASN A 55 19.917 -24.786 -0.244 1.00 41.43 O ATOM 790 CB ASN A 55 17.982 -24.086 -2.282 1.00 64.13 C ATOM 791 CG ASN A 55 16.717 -24.875 -2.004 1.00 44.30 C ATOM 792 OD1 ASN A 55 16.745 -26.102 -1.916 1.00 33.41 O ATOM 793 ND2 ASN A 55 15.600 -24.171 -1.865 1.00 1.45 N ATOM 0 H ASN A 55 20.176 -22.462 -1.908 1.00 54.53 H new ATOM 0 HA ASN A 55 17.469 -22.696 -0.726 1.00 0.04 H new ATOM 0 HB2 ASN A 55 17.842 -23.485 -3.181 1.00 64.13 H new ATOM 0 HB3 ASN A 55 18.800 -24.777 -2.485 1.00 64.13 H new ATOM 0 HD21 ASN A 55 14.717 -24.647 -1.677 1.00 1.45 H new ATOM 0 HD22 ASN A 55 15.624 -23.155 -1.946 1.00 1.45 H new ATOM 800 N MET A 56 18.524 -23.798 1.221 1.00 50.15 N ATOM 801 CA MET A 56 19.047 -24.522 2.373 1.00 1.13 C ATOM 802 C MET A 56 18.231 -24.213 3.625 1.00 64.42 C ATOM 803 O MET A 56 18.673 -23.494 4.521 1.00 21.00 O ATOM 804 CB MET A 56 20.516 -24.161 2.606 1.00 75.24 C ATOM 805 CG MET A 56 20.783 -22.665 2.594 1.00 50.10 C ATOM 806 SD MET A 56 22.532 -22.270 2.785 1.00 70.45 S ATOM 807 CE MET A 56 22.446 -20.891 3.924 1.00 32.43 C ATOM 0 H MET A 56 17.772 -23.145 1.439 1.00 50.15 H new ATOM 0 HA MET A 56 18.971 -25.589 2.165 1.00 1.13 H new ATOM 0 HB2 MET A 56 20.835 -24.571 3.564 1.00 75.24 H new ATOM 0 HB3 MET A 56 21.125 -24.637 1.837 1.00 75.24 H new ATOM 0 HG2 MET A 56 20.419 -22.242 1.657 1.00 50.10 H new ATOM 0 HG3 MET A 56 20.218 -22.193 3.398 1.00 50.10 H new ATOM 0 HE1 MET A 56 23.453 -20.534 4.140 1.00 32.43 H new ATOM 0 HE2 MET A 56 21.864 -20.085 3.477 1.00 32.43 H new ATOM 0 HE3 MET A 56 21.969 -21.213 4.850 1.00 32.43 H new ATOM 817 N PRO A 57 17.012 -24.769 3.690 1.00 43.03 N ATOM 818 CA PRO A 57 16.110 -24.567 4.827 1.00 31.12 C ATOM 819 C PRO A 57 16.603 -25.266 6.089 1.00 30.25 C ATOM 820 O PRO A 57 16.398 -24.778 7.201 1.00 71.10 O ATOM 821 CB PRO A 57 14.794 -25.188 4.351 1.00 25.40 C ATOM 822 CG PRO A 57 15.199 -26.197 3.332 1.00 51.01 C ATOM 823 CD PRO A 57 16.421 -25.637 2.658 1.00 61.41 C ATOM 0 HA PRO A 57 16.027 -23.515 5.099 1.00 31.12 H new ATOM 0 HB2 PRO A 57 14.254 -25.653 5.176 1.00 25.40 H new ATOM 0 HB3 PRO A 57 14.133 -24.435 3.922 1.00 25.40 H new ATOM 0 HG2 PRO A 57 15.417 -27.158 3.799 1.00 51.01 H new ATOM 0 HG3 PRO A 57 14.399 -26.367 2.611 1.00 51.01 H new ATOM 0 HD2 PRO A 57 17.109 -26.426 2.354 1.00 61.41 H new ATOM 0 HD3 PRO A 57 16.163 -25.075 1.760 1.00 61.41 H new ATOM 831 N ARG A 58 17.254 -26.411 5.911 1.00 41.25 N ATOM 832 CA ARG A 58 17.776 -27.177 7.036 1.00 73.12 C ATOM 833 C ARG A 58 18.670 -26.309 7.916 1.00 22.44 C ATOM 834 O ARG A 58 18.679 -26.449 9.140 1.00 42.24 O ATOM 835 CB ARG A 58 18.559 -28.391 6.534 1.00 64.30 C ATOM 836 CG ARG A 58 18.548 -29.565 7.499 1.00 32.24 C ATOM 837 CD ARG A 58 18.982 -30.853 6.816 1.00 2.54 C ATOM 838 NE ARG A 58 18.713 -32.027 7.641 1.00 74.42 N ATOM 839 CZ ARG A 58 18.945 -33.273 7.243 1.00 25.32 C ATOM 840 NH1 ARG A 58 19.450 -33.505 6.039 1.00 21.13 N ATOM 841 NH2 ARG A 58 18.674 -34.290 8.051 1.00 71.51 N ATOM 0 H ARG A 58 17.432 -26.829 4.998 1.00 41.25 H new ATOM 0 HA ARG A 58 16.931 -27.520 7.633 1.00 73.12 H new ATOM 0 HB2 ARG A 58 18.142 -28.712 5.580 1.00 64.30 H new ATOM 0 HB3 ARG A 58 19.591 -28.095 6.347 1.00 64.30 H new ATOM 0 HG2 ARG A 58 19.213 -29.355 8.337 1.00 32.24 H new ATOM 0 HG3 ARG A 58 17.546 -29.690 7.910 1.00 32.24 H new ATOM 0 HD2 ARG A 58 18.461 -30.952 5.864 1.00 2.54 H new ATOM 0 HD3 ARG A 58 20.048 -30.803 6.592 1.00 2.54 H new ATOM 0 HE ARG A 58 18.326 -31.883 8.574 1.00 74.42 H new ATOM 0 HH11 ARG A 58 19.661 -32.726 5.416 1.00 21.13 H new ATOM 0 HH12 ARG A 58 19.627 -34.463 5.736 1.00 21.13 H new ATOM 0 HH21 ARG A 58 18.287 -34.115 8.979 1.00 71.51 H new ATOM 0 HH22 ARG A 58 18.852 -35.246 7.745 1.00 71.51 H new ATOM 855 N LYS A 59 19.422 -25.414 7.286 1.00 43.41 N ATOM 856 CA LYS A 59 20.320 -24.522 8.010 1.00 22.14 C ATOM 857 C LYS A 59 19.664 -23.166 8.250 1.00 42.02 C ATOM 858 O LYS A 59 18.500 -22.960 7.907 1.00 31.03 O ATOM 859 CB LYS A 59 21.626 -24.339 7.234 1.00 41.32 C ATOM 860 CG LYS A 59 22.541 -25.550 7.288 1.00 4.43 C ATOM 861 CD LYS A 59 23.158 -25.721 8.667 1.00 72.04 C ATOM 862 CE LYS A 59 23.921 -27.032 8.777 1.00 74.32 C ATOM 863 NZ LYS A 59 23.019 -28.211 8.651 1.00 11.22 N ATOM 0 H LYS A 59 19.428 -25.287 6.274 1.00 43.41 H new ATOM 0 HA LYS A 59 20.540 -24.975 8.977 1.00 22.14 H new ATOM 0 HB2 LYS A 59 21.392 -24.117 6.193 1.00 41.32 H new ATOM 0 HB3 LYS A 59 22.157 -23.475 7.632 1.00 41.32 H new ATOM 0 HG2 LYS A 59 21.977 -26.445 7.027 1.00 4.43 H new ATOM 0 HG3 LYS A 59 23.332 -25.443 6.545 1.00 4.43 H new ATOM 0 HD2 LYS A 59 23.831 -24.889 8.871 1.00 72.04 H new ATOM 0 HD3 LYS A 59 22.374 -25.690 9.424 1.00 72.04 H new ATOM 0 HE2 LYS A 59 24.684 -27.074 8.000 1.00 74.32 H new ATOM 0 HE3 LYS A 59 24.439 -27.072 9.735 1.00 74.32 H new ATOM 0 HZ1 LYS A 59 23.503 -29.058 9.010 1.00 11.22 H new ATOM 0 HZ2 LYS A 59 22.153 -28.046 9.203 1.00 11.22 H new ATOM 0 HZ3 LYS A 59 22.770 -28.352 7.651 1.00 11.22 H new ATOM 877 N SER A 60 20.419 -22.244 8.839 1.00 62.05 N ATOM 878 CA SER A 60 19.910 -20.908 9.126 1.00 71.14 C ATOM 879 C SER A 60 19.783 -20.088 7.845 1.00 22.31 C ATOM 880 O SER A 60 20.241 -20.503 6.781 1.00 21.03 O ATOM 881 CB SER A 60 20.830 -20.190 10.115 1.00 33.42 C ATOM 882 OG SER A 60 22.179 -20.241 9.686 1.00 63.00 O ATOM 0 H SER A 60 21.385 -22.398 9.127 1.00 62.05 H new ATOM 0 HA SER A 60 18.920 -21.011 9.571 1.00 71.14 H new ATOM 0 HB2 SER A 60 20.517 -19.151 10.219 1.00 33.42 H new ATOM 0 HB3 SER A 60 20.741 -20.650 11.099 1.00 33.42 H new ATOM 0 HG SER A 60 22.553 -19.335 9.673 1.00 63.00 H new ATOM 888 N GLY A 61 19.157 -18.921 7.957 1.00 41.41 N ATOM 889 CA GLY A 61 18.980 -18.060 6.802 1.00 64.12 C ATOM 890 C GLY A 61 17.645 -18.276 6.117 1.00 44.20 C ATOM 891 O GLY A 61 16.707 -17.502 6.312 1.00 33.54 O ATOM 0 H GLY A 61 18.769 -18.556 8.827 1.00 41.41 H new ATOM 0 HA2 GLY A 61 19.061 -17.019 7.113 1.00 64.12 H new ATOM 0 HA3 GLY A 61 19.784 -18.243 6.090 1.00 64.12 H new ATOM 895 N LEU A 62 17.559 -19.328 5.311 1.00 61.02 N ATOM 896 CA LEU A 62 16.329 -19.643 4.593 1.00 50.25 C ATOM 897 C LEU A 62 15.251 -20.140 5.550 1.00 1.04 C ATOM 898 O LEU A 62 14.066 -19.872 5.358 1.00 33.13 O ATOM 899 CB LEU A 62 16.598 -20.698 3.518 1.00 42.52 C ATOM 900 CG LEU A 62 17.208 -20.185 2.213 1.00 63.34 C ATOM 901 CD1 LEU A 62 16.306 -19.140 1.576 1.00 72.14 C ATOM 902 CD2 LEU A 62 18.597 -19.614 2.461 1.00 14.10 C ATOM 0 H LEU A 62 18.326 -19.977 5.138 1.00 61.02 H new ATOM 0 HA LEU A 62 15.973 -18.730 4.116 1.00 50.25 H new ATOM 0 HB2 LEU A 62 17.265 -21.452 3.936 1.00 42.52 H new ATOM 0 HB3 LEU A 62 15.658 -21.198 3.285 1.00 42.52 H new ATOM 0 HG LEU A 62 17.300 -21.024 1.523 1.00 63.34 H new ATOM 0 HD11 LEU A 62 16.757 -18.787 0.649 1.00 72.14 H new ATOM 0 HD12 LEU A 62 15.333 -19.582 1.361 1.00 72.14 H new ATOM 0 HD13 LEU A 62 16.181 -18.301 2.261 1.00 72.14 H new ATOM 0 HD21 LEU A 62 19.015 -19.254 1.521 1.00 14.10 H new ATOM 0 HD22 LEU A 62 18.530 -18.788 3.169 1.00 14.10 H new ATOM 0 HD23 LEU A 62 19.242 -20.391 2.871 1.00 14.10 H new ATOM 914 N GLU A 63 15.672 -20.863 6.583 1.00 23.42 N ATOM 915 CA GLU A 63 14.742 -21.396 7.572 1.00 62.44 C ATOM 916 C GLU A 63 13.825 -20.299 8.103 1.00 4.55 C ATOM 917 O GLU A 63 12.671 -20.552 8.451 1.00 2.01 O ATOM 918 CB GLU A 63 15.508 -22.042 8.729 1.00 55.12 C ATOM 919 CG GLU A 63 16.219 -21.040 9.622 1.00 42.30 C ATOM 920 CD GLU A 63 16.864 -21.690 10.830 1.00 24.32 C ATOM 921 OE1 GLU A 63 17.617 -22.669 10.646 1.00 25.13 O ATOM 922 OE2 GLU A 63 16.616 -21.220 11.960 1.00 11.41 O ATOM 0 H GLU A 63 16.650 -21.093 6.757 1.00 23.42 H new ATOM 0 HA GLU A 63 14.128 -22.154 7.085 1.00 62.44 H new ATOM 0 HB2 GLU A 63 14.813 -22.625 9.333 1.00 55.12 H new ATOM 0 HB3 GLU A 63 16.241 -22.739 8.324 1.00 55.12 H new ATOM 0 HG2 GLU A 63 16.982 -20.520 9.043 1.00 42.30 H new ATOM 0 HG3 GLU A 63 15.505 -20.287 9.957 1.00 42.30 H new ATOM 929 N LEU A 64 14.347 -19.078 8.165 1.00 62.44 N ATOM 930 CA LEU A 64 13.577 -17.940 8.654 1.00 30.54 C ATOM 931 C LEU A 64 12.222 -17.861 7.959 1.00 15.34 C ATOM 932 O LEU A 64 11.226 -17.460 8.563 1.00 2.33 O ATOM 933 CB LEU A 64 14.353 -16.641 8.434 1.00 63.12 C ATOM 934 CG LEU A 64 15.348 -16.259 9.531 1.00 54.32 C ATOM 935 CD1 LEU A 64 14.613 -15.850 10.798 1.00 20.01 C ATOM 936 CD2 LEU A 64 16.300 -17.411 9.812 1.00 23.45 C ATOM 0 H LEU A 64 15.301 -18.851 7.883 1.00 62.44 H new ATOM 0 HA LEU A 64 13.409 -18.078 9.722 1.00 30.54 H new ATOM 0 HB2 LEU A 64 14.895 -16.720 7.491 1.00 63.12 H new ATOM 0 HB3 LEU A 64 13.636 -15.828 8.322 1.00 63.12 H new ATOM 0 HG LEU A 64 15.934 -15.408 9.184 1.00 54.32 H new ATOM 0 HD11 LEU A 64 15.337 -15.582 11.568 1.00 20.01 H new ATOM 0 HD12 LEU A 64 13.973 -14.993 10.587 1.00 20.01 H new ATOM 0 HD13 LEU A 64 14.002 -16.682 11.149 1.00 20.01 H new ATOM 0 HD21 LEU A 64 17.001 -17.121 10.595 1.00 23.45 H new ATOM 0 HD22 LEU A 64 15.731 -18.282 10.138 1.00 23.45 H new ATOM 0 HD23 LEU A 64 16.851 -17.657 8.905 1.00 23.45 H new ATOM 948 N ILE A 65 12.191 -18.247 6.688 1.00 14.24 N ATOM 949 CA ILE A 65 10.957 -18.222 5.913 1.00 53.11 C ATOM 950 C ILE A 65 9.824 -18.917 6.660 1.00 73.51 C ATOM 951 O ILE A 65 8.698 -18.423 6.701 1.00 52.43 O ATOM 952 CB ILE A 65 11.141 -18.895 4.540 1.00 31.52 C ATOM 953 CG1 ILE A 65 12.226 -18.176 3.736 1.00 14.21 C ATOM 954 CG2 ILE A 65 9.826 -18.906 3.775 1.00 60.41 C ATOM 955 CD1 ILE A 65 12.651 -18.923 2.491 1.00 11.14 C ATOM 0 H ILE A 65 13.006 -18.581 6.173 1.00 14.24 H new ATOM 0 HA ILE A 65 10.700 -17.173 5.763 1.00 53.11 H new ATOM 0 HB ILE A 65 11.456 -19.927 4.697 1.00 31.52 H new ATOM 0 HG12 ILE A 65 11.862 -17.189 3.451 1.00 14.21 H new ATOM 0 HG13 ILE A 65 13.097 -18.023 4.373 1.00 14.21 H new ATOM 0 HG21 ILE A 65 9.972 -19.385 2.807 1.00 60.41 H new ATOM 0 HG22 ILE A 65 9.079 -19.459 4.344 1.00 60.41 H new ATOM 0 HG23 ILE A 65 9.484 -17.882 3.625 1.00 60.41 H new ATOM 0 HD11 ILE A 65 13.422 -18.355 1.971 1.00 11.14 H new ATOM 0 HD12 ILE A 65 13.046 -19.900 2.770 1.00 11.14 H new ATOM 0 HD13 ILE A 65 11.791 -19.053 1.834 1.00 11.14 H new ATOM 967 N ALA A 66 10.131 -20.067 7.251 1.00 34.35 N ATOM 968 CA ALA A 66 9.139 -20.829 8.001 1.00 64.32 C ATOM 969 C ALA A 66 8.508 -19.979 9.098 1.00 51.01 C ATOM 970 O ALA A 66 7.288 -19.824 9.151 1.00 3.43 O ATOM 971 CB ALA A 66 9.773 -22.077 8.597 1.00 64.41 C ATOM 0 H ALA A 66 11.058 -20.492 7.225 1.00 34.35 H new ATOM 0 HA ALA A 66 8.350 -21.129 7.311 1.00 64.32 H new ATOM 0 HB1 ALA A 66 9.021 -22.636 9.154 1.00 64.41 H new ATOM 0 HB2 ALA A 66 10.170 -22.701 7.796 1.00 64.41 H new ATOM 0 HB3 ALA A 66 10.582 -21.789 9.268 1.00 64.41 H new ATOM 977 N ALA A 67 9.346 -19.431 9.972 1.00 60.12 N ATOM 978 CA ALA A 67 8.869 -18.596 11.067 1.00 43.41 C ATOM 979 C ALA A 67 7.988 -17.463 10.550 1.00 22.31 C ATOM 980 O ALA A 67 6.925 -17.187 11.107 1.00 53.12 O ATOM 981 CB ALA A 67 10.045 -18.035 11.853 1.00 30.15 C ATOM 0 H ALA A 67 10.359 -19.550 9.943 1.00 60.12 H new ATOM 0 HA ALA A 67 8.266 -19.217 11.729 1.00 43.41 H new ATOM 0 HB1 ALA A 67 9.674 -17.413 12.668 1.00 30.15 H new ATOM 0 HB2 ALA A 67 10.634 -18.856 12.262 1.00 30.15 H new ATOM 0 HB3 ALA A 67 10.670 -17.434 11.193 1.00 30.15 H new ATOM 987 N LEU A 68 8.437 -16.811 9.484 1.00 53.34 N ATOM 988 CA LEU A 68 7.689 -15.707 8.892 1.00 52.14 C ATOM 989 C LEU A 68 6.280 -16.147 8.509 1.00 74.44 C ATOM 990 O LEU A 68 5.330 -15.369 8.596 1.00 10.11 O ATOM 991 CB LEU A 68 8.421 -15.172 7.660 1.00 53.25 C ATOM 992 CG LEU A 68 9.436 -14.057 7.913 1.00 21.14 C ATOM 993 CD1 LEU A 68 10.609 -14.579 8.729 1.00 51.21 C ATOM 994 CD2 LEU A 68 9.920 -13.467 6.597 1.00 0.51 C ATOM 0 H LEU A 68 9.315 -17.027 9.012 1.00 53.34 H new ATOM 0 HA LEU A 68 7.612 -14.913 9.635 1.00 52.14 H new ATOM 0 HB2 LEU A 68 8.937 -16.003 7.179 1.00 53.25 H new ATOM 0 HB3 LEU A 68 7.678 -14.806 6.952 1.00 53.25 H new ATOM 0 HG LEU A 68 8.946 -13.268 8.483 1.00 21.14 H new ATOM 0 HD11 LEU A 68 11.321 -13.772 8.899 1.00 51.21 H new ATOM 0 HD12 LEU A 68 10.248 -14.953 9.687 1.00 51.21 H new ATOM 0 HD13 LEU A 68 11.099 -15.387 8.186 1.00 51.21 H new ATOM 0 HD21 LEU A 68 10.642 -12.675 6.797 1.00 0.51 H new ATOM 0 HD22 LEU A 68 10.393 -14.247 6.001 1.00 0.51 H new ATOM 0 HD23 LEU A 68 9.072 -13.056 6.049 1.00 0.51 H new ATOM 1006 N ARG A 69 6.151 -17.401 8.086 1.00 4.11 N ATOM 1007 CA ARG A 69 4.858 -17.945 7.691 1.00 60.41 C ATOM 1008 C ARG A 69 3.900 -17.988 8.878 1.00 24.01 C ATOM 1009 O ARG A 69 2.698 -17.773 8.725 1.00 4.25 O ATOM 1010 CB ARG A 69 5.028 -19.350 7.109 1.00 43.23 C ATOM 1011 CG ARG A 69 4.016 -19.687 6.026 1.00 20.34 C ATOM 1012 CD ARG A 69 2.716 -20.205 6.621 1.00 11.05 C ATOM 1013 NE ARG A 69 1.975 -21.037 5.677 1.00 15.52 N ATOM 1014 CZ ARG A 69 0.704 -21.385 5.845 1.00 32.23 C ATOM 1015 NH1 ARG A 69 0.037 -20.976 6.915 1.00 14.14 N ATOM 1016 NH2 ARG A 69 0.098 -22.144 4.941 1.00 32.44 N ATOM 0 H ARG A 69 6.927 -18.059 8.008 1.00 4.11 H new ATOM 0 HA ARG A 69 4.435 -17.291 6.928 1.00 60.41 H new ATOM 0 HB2 ARG A 69 6.033 -19.445 6.698 1.00 43.23 H new ATOM 0 HB3 ARG A 69 4.943 -20.080 7.914 1.00 43.23 H new ATOM 0 HG2 ARG A 69 3.815 -18.800 5.426 1.00 20.34 H new ATOM 0 HG3 ARG A 69 4.435 -20.437 5.355 1.00 20.34 H new ATOM 0 HD2 ARG A 69 2.933 -20.782 7.520 1.00 11.05 H new ATOM 0 HD3 ARG A 69 2.096 -19.362 6.926 1.00 11.05 H new ATOM 0 HE ARG A 69 2.460 -21.369 4.843 1.00 15.52 H new ATOM 0 HH11 ARG A 69 0.500 -20.392 7.612 1.00 14.14 H new ATOM 0 HH12 ARG A 69 -0.939 -21.245 7.041 1.00 14.14 H new ATOM 0 HH21 ARG A 69 0.608 -22.461 4.116 1.00 32.44 H new ATOM 0 HH22 ARG A 69 -0.878 -22.411 5.071 1.00 32.44 H new ATOM 1030 N GLN A 70 4.442 -18.268 10.059 1.00 3.41 N ATOM 1031 CA GLN A 70 3.635 -18.340 11.271 1.00 3.45 C ATOM 1032 C GLN A 70 3.154 -16.954 11.688 1.00 54.21 C ATOM 1033 O GLN A 70 2.000 -16.778 12.082 1.00 73.35 O ATOM 1034 CB GLN A 70 4.439 -18.976 12.407 1.00 13.21 C ATOM 1035 CG GLN A 70 5.265 -20.175 11.970 1.00 10.23 C ATOM 1036 CD GLN A 70 5.911 -20.895 13.138 1.00 75.13 C ATOM 1037 OE1 GLN A 70 6.944 -20.289 13.710 1.00 22.14 O flip ATOM 1038 NE2 GLN A 70 5.485 -21.985 13.521 1.00 41.55 N flip ATOM 0 H GLN A 70 5.436 -18.449 10.202 1.00 3.41 H new ATOM 0 HA GLN A 70 2.763 -18.959 11.060 1.00 3.45 H new ATOM 0 HB2 GLN A 70 5.102 -18.225 12.836 1.00 13.21 H new ATOM 0 HB3 GLN A 70 3.754 -19.285 13.197 1.00 13.21 H new ATOM 0 HG2 GLN A 70 4.627 -20.872 11.426 1.00 10.23 H new ATOM 0 HG3 GLN A 70 6.040 -19.845 11.278 1.00 10.23 H new ATOM 0 HE21 GLN A 70 4.688 -22.415 13.052 1.00 41.55 H new ATOM 0 HE22 GLN A 70 5.929 -22.458 14.308 1.00 41.55 H new ATOM 1047 N LEU A 71 4.044 -15.972 11.599 1.00 22.10 N ATOM 1048 CA LEU A 71 3.710 -14.600 11.967 1.00 61.51 C ATOM 1049 C LEU A 71 2.714 -13.999 10.980 1.00 22.25 C ATOM 1050 O LEU A 71 2.702 -14.354 9.802 1.00 54.12 O ATOM 1051 CB LEU A 71 4.976 -13.743 12.018 1.00 13.22 C ATOM 1052 CG LEU A 71 5.751 -13.769 13.336 1.00 41.42 C ATOM 1053 CD1 LEU A 71 4.910 -13.187 14.462 1.00 42.04 C ATOM 1054 CD2 LEU A 71 6.186 -15.188 13.671 1.00 50.20 C ATOM 0 H LEU A 71 5.003 -16.100 11.275 1.00 22.10 H new ATOM 0 HA LEU A 71 3.249 -14.616 12.955 1.00 61.51 H new ATOM 0 HB2 LEU A 71 5.644 -14.069 11.220 1.00 13.22 H new ATOM 0 HB3 LEU A 71 4.701 -12.711 11.802 1.00 13.22 H new ATOM 0 HG LEU A 71 6.644 -13.154 13.222 1.00 41.42 H new ATOM 0 HD11 LEU A 71 5.478 -13.214 15.392 1.00 42.04 H new ATOM 0 HD12 LEU A 71 4.650 -12.155 14.226 1.00 42.04 H new ATOM 0 HD13 LEU A 71 3.999 -13.774 14.576 1.00 42.04 H new ATOM 0 HD21 LEU A 71 6.736 -15.187 14.612 1.00 50.20 H new ATOM 0 HD22 LEU A 71 5.307 -15.825 13.765 1.00 50.20 H new ATOM 0 HD23 LEU A 71 6.827 -15.569 12.876 1.00 50.20 H new ATOM 1066 N SER A 72 1.882 -13.086 11.470 1.00 1.32 N ATOM 1067 CA SER A 72 0.881 -12.436 10.632 1.00 3.22 C ATOM 1068 C SER A 72 1.396 -11.098 10.109 1.00 65.41 C ATOM 1069 O SER A 72 0.633 -10.147 9.948 1.00 1.33 O ATOM 1070 CB SER A 72 -0.414 -12.224 11.419 1.00 44.22 C ATOM 1071 OG SER A 72 -1.511 -12.010 10.548 1.00 65.15 O ATOM 0 H SER A 72 1.881 -12.780 12.443 1.00 1.32 H new ATOM 0 HA SER A 72 0.678 -13.086 9.781 1.00 3.22 H new ATOM 0 HB2 SER A 72 -0.608 -13.094 12.047 1.00 44.22 H new ATOM 0 HB3 SER A 72 -0.302 -11.369 12.085 1.00 44.22 H new ATOM 0 HG SER A 72 -1.296 -11.286 9.923 1.00 65.15 H new ATOM 1077 N ALA A 73 2.697 -11.035 9.845 1.00 64.01 N ATOM 1078 CA ALA A 73 3.316 -9.816 9.338 1.00 75.20 C ATOM 1079 C ALA A 73 4.024 -10.071 8.012 1.00 41.41 C ATOM 1080 O ALA A 73 4.075 -9.196 7.146 1.00 33.42 O ATOM 1081 CB ALA A 73 4.292 -9.255 10.361 1.00 12.40 C ATOM 0 H ALA A 73 3.343 -11.814 9.974 1.00 64.01 H new ATOM 0 HA ALA A 73 2.528 -9.083 9.164 1.00 75.20 H new ATOM 0 HB1 ALA A 73 4.747 -8.345 9.969 1.00 12.40 H new ATOM 0 HB2 ALA A 73 3.760 -9.026 11.284 1.00 12.40 H new ATOM 0 HB3 ALA A 73 5.070 -9.991 10.564 1.00 12.40 H new ATOM 1087 N TYR A 74 4.571 -11.272 7.859 1.00 15.44 N ATOM 1088 CA TYR A 74 5.279 -11.640 6.640 1.00 44.45 C ATOM 1089 C TYR A 74 4.531 -12.733 5.883 1.00 31.14 C ATOM 1090 O TYR A 74 4.614 -12.825 4.659 1.00 24.11 O ATOM 1091 CB TYR A 74 6.696 -12.111 6.971 1.00 63.35 C ATOM 1092 CG TYR A 74 7.396 -11.251 7.999 1.00 71.42 C ATOM 1093 CD1 TYR A 74 7.164 -11.430 9.357 1.00 70.21 C ATOM 1094 CD2 TYR A 74 8.290 -10.261 7.612 1.00 40.41 C ATOM 1095 CE1 TYR A 74 7.800 -10.646 10.300 1.00 65.35 C ATOM 1096 CE2 TYR A 74 8.932 -9.473 8.548 1.00 43.13 C ATOM 1097 CZ TYR A 74 8.684 -9.669 9.890 1.00 32.31 C ATOM 1098 OH TYR A 74 9.321 -8.887 10.826 1.00 31.31 O ATOM 0 H TYR A 74 4.537 -12.007 8.565 1.00 15.44 H new ATOM 0 HA TYR A 74 5.336 -10.757 6.003 1.00 44.45 H new ATOM 0 HB2 TYR A 74 6.653 -13.137 7.337 1.00 63.35 H new ATOM 0 HB3 TYR A 74 7.289 -12.124 6.056 1.00 63.35 H new ATOM 0 HD1 TYR A 74 6.474 -12.195 9.681 1.00 70.21 H new ATOM 0 HD2 TYR A 74 8.487 -10.104 6.562 1.00 40.41 H new ATOM 0 HE1 TYR A 74 7.607 -10.797 11.352 1.00 65.35 H new ATOM 0 HE2 TYR A 74 9.624 -8.708 8.230 1.00 43.13 H new ATOM 0 HH TYR A 74 10.266 -9.143 10.878 1.00 31.31 H new ATOM 1108 N ALA A 75 3.799 -13.560 6.623 1.00 51.21 N ATOM 1109 CA ALA A 75 3.033 -14.646 6.024 1.00 40.33 C ATOM 1110 C ALA A 75 2.225 -14.153 4.828 1.00 10.11 C ATOM 1111 O ALA A 75 2.085 -14.858 3.829 1.00 52.25 O ATOM 1112 CB ALA A 75 2.115 -15.278 7.059 1.00 11.12 C ATOM 0 H ALA A 75 3.721 -13.498 7.638 1.00 51.21 H new ATOM 0 HA ALA A 75 3.735 -15.400 5.669 1.00 40.33 H new ATOM 0 HB1 ALA A 75 1.549 -16.087 6.598 1.00 11.12 H new ATOM 0 HB2 ALA A 75 2.712 -15.675 7.881 1.00 11.12 H new ATOM 0 HB3 ALA A 75 1.425 -14.525 7.442 1.00 11.12 H new ATOM 1118 N ASP A 76 1.695 -12.940 4.938 1.00 41.32 N ATOM 1119 CA ASP A 76 0.901 -12.352 3.865 1.00 72.40 C ATOM 1120 C ASP A 76 1.800 -11.722 2.806 1.00 72.22 C ATOM 1121 O ASP A 76 1.477 -11.728 1.617 1.00 34.24 O ATOM 1122 CB ASP A 76 -0.059 -11.303 4.428 1.00 45.52 C ATOM 1123 CG ASP A 76 -1.418 -11.883 4.766 1.00 4.45 C ATOM 1124 OD1 ASP A 76 -1.819 -11.804 5.947 1.00 73.04 O ATOM 1125 OD2 ASP A 76 -2.080 -12.414 3.851 1.00 30.44 O ATOM 0 H ASP A 76 1.801 -12.344 5.759 1.00 41.32 H new ATOM 0 HA ASP A 76 0.322 -13.148 3.397 1.00 72.40 H new ATOM 0 HB2 ASP A 76 0.376 -10.860 5.324 1.00 45.52 H new ATOM 0 HB3 ASP A 76 -0.181 -10.499 3.702 1.00 45.52 H new ATOM 1130 N THR A 77 2.930 -11.177 3.244 1.00 24.23 N ATOM 1131 CA THR A 77 3.875 -10.541 2.335 1.00 1.22 C ATOM 1132 C THR A 77 4.226 -11.463 1.173 1.00 3.03 C ATOM 1133 O THR A 77 4.513 -12.647 1.353 1.00 1.45 O ATOM 1134 CB THR A 77 5.170 -10.136 3.064 1.00 43.21 C ATOM 1135 OG1 THR A 77 4.869 -9.228 4.130 1.00 44.14 O ATOM 1136 CG2 THR A 77 6.153 -9.487 2.101 1.00 70.33 C ATOM 0 H THR A 77 3.213 -11.163 4.224 1.00 24.23 H new ATOM 0 HA THR A 77 3.389 -9.645 1.950 1.00 1.22 H new ATOM 0 HB THR A 77 5.627 -11.037 3.473 1.00 43.21 H new ATOM 0 HG1 THR A 77 5.697 -8.977 4.589 1.00 44.14 H new ATOM 0 HG21 THR A 77 7.060 -9.210 2.639 1.00 70.33 H new ATOM 0 HG22 THR A 77 6.403 -10.191 1.307 1.00 70.33 H new ATOM 0 HG23 THR A 77 5.702 -8.595 1.666 1.00 70.33 H new ATOM 1144 N PRO A 78 4.205 -10.911 -0.049 1.00 11.31 N ATOM 1145 CA PRO A 78 4.520 -11.667 -1.265 1.00 1.53 C ATOM 1146 C PRO A 78 5.997 -12.037 -1.351 1.00 12.43 C ATOM 1147 O PRO A 78 6.856 -11.168 -1.500 1.00 3.40 O ATOM 1148 CB PRO A 78 4.145 -10.700 -2.391 1.00 14.14 C ATOM 1149 CG PRO A 78 4.261 -9.345 -1.781 1.00 71.35 C ATOM 1150 CD PRO A 78 3.872 -9.506 -0.338 1.00 11.31 C ATOM 0 HA PRO A 78 3.986 -12.617 -1.304 1.00 1.53 H new ATOM 0 HB2 PRO A 78 4.814 -10.808 -3.245 1.00 14.14 H new ATOM 0 HB3 PRO A 78 3.134 -10.886 -2.752 1.00 14.14 H new ATOM 0 HG2 PRO A 78 5.278 -8.962 -1.871 1.00 71.35 H new ATOM 0 HG3 PRO A 78 3.607 -8.633 -2.284 1.00 71.35 H new ATOM 0 HD2 PRO A 78 4.424 -8.822 0.306 1.00 11.31 H new ATOM 0 HD3 PRO A 78 2.812 -9.304 -0.183 1.00 11.31 H new ATOM 1158 N ILE A 79 6.284 -13.330 -1.256 1.00 62.41 N ATOM 1159 CA ILE A 79 7.657 -13.814 -1.325 1.00 24.50 C ATOM 1160 C ILE A 79 7.955 -14.433 -2.687 1.00 34.13 C ATOM 1161 O ILE A 79 7.111 -15.117 -3.268 1.00 31.34 O ATOM 1162 CB ILE A 79 7.943 -14.856 -0.227 1.00 71.11 C ATOM 1163 CG1 ILE A 79 7.710 -14.247 1.157 1.00 24.11 C ATOM 1164 CG2 ILE A 79 9.367 -15.378 -0.350 1.00 34.33 C ATOM 1165 CD1 ILE A 79 8.637 -13.094 1.473 1.00 15.41 C ATOM 0 H ILE A 79 5.584 -14.062 -1.131 1.00 62.41 H new ATOM 0 HA ILE A 79 8.303 -12.950 -1.172 1.00 24.50 H new ATOM 0 HB ILE A 79 7.258 -15.694 -0.354 1.00 71.11 H new ATOM 0 HG12 ILE A 79 6.678 -13.902 1.224 1.00 24.11 H new ATOM 0 HG13 ILE A 79 7.837 -15.022 1.912 1.00 24.11 H new ATOM 0 HG21 ILE A 79 9.554 -16.113 0.433 1.00 34.33 H new ATOM 0 HG22 ILE A 79 9.500 -15.845 -1.326 1.00 34.33 H new ATOM 0 HG23 ILE A 79 10.068 -14.550 -0.245 1.00 34.33 H new ATOM 0 HD11 ILE A 79 8.415 -12.711 2.469 1.00 15.41 H new ATOM 0 HD12 ILE A 79 9.671 -13.438 1.438 1.00 15.41 H new ATOM 0 HD13 ILE A 79 8.494 -12.301 0.740 1.00 15.41 H new ATOM 1177 N LEU A 80 9.159 -14.190 -3.190 1.00 44.14 N ATOM 1178 CA LEU A 80 9.570 -14.725 -4.484 1.00 41.21 C ATOM 1179 C LEU A 80 10.945 -15.378 -4.391 1.00 62.44 C ATOM 1180 O LEU A 80 11.946 -14.709 -4.136 1.00 64.12 O ATOM 1181 CB LEU A 80 9.591 -13.613 -5.534 1.00 40.14 C ATOM 1182 CG LEU A 80 8.356 -12.712 -5.583 1.00 62.42 C ATOM 1183 CD1 LEU A 80 8.486 -11.689 -6.700 1.00 51.33 C ATOM 1184 CD2 LEU A 80 7.096 -13.545 -5.764 1.00 75.34 C ATOM 0 H LEU A 80 9.869 -13.626 -2.722 1.00 44.14 H new ATOM 0 HA LEU A 80 8.847 -15.484 -4.782 1.00 41.21 H new ATOM 0 HB2 LEU A 80 10.465 -12.988 -5.354 1.00 40.14 H new ATOM 0 HB3 LEU A 80 9.722 -14.070 -6.515 1.00 40.14 H new ATOM 0 HG LEU A 80 8.281 -12.178 -4.636 1.00 62.42 H new ATOM 0 HD11 LEU A 80 7.598 -11.057 -6.720 1.00 51.33 H new ATOM 0 HD12 LEU A 80 9.367 -11.071 -6.527 1.00 51.33 H new ATOM 0 HD13 LEU A 80 8.586 -12.204 -7.655 1.00 51.33 H new ATOM 0 HD21 LEU A 80 6.227 -12.888 -5.797 1.00 75.34 H new ATOM 0 HD22 LEU A 80 7.162 -14.106 -6.696 1.00 75.34 H new ATOM 0 HD23 LEU A 80 6.995 -14.238 -4.929 1.00 75.34 H new ATOM 1196 N VAL A 81 10.987 -16.690 -4.603 1.00 33.14 N ATOM 1197 CA VAL A 81 12.239 -17.434 -4.546 1.00 63.23 C ATOM 1198 C VAL A 81 12.685 -17.865 -5.939 1.00 24.41 C ATOM 1199 O VAL A 81 11.860 -18.110 -6.820 1.00 14.25 O ATOM 1200 CB VAL A 81 12.112 -18.681 -3.651 1.00 73.11 C ATOM 1201 CG1 VAL A 81 11.096 -19.653 -4.231 1.00 60.52 C ATOM 1202 CG2 VAL A 81 13.466 -19.352 -3.477 1.00 73.31 C ATOM 0 H VAL A 81 10.168 -17.259 -4.816 1.00 33.14 H new ATOM 0 HA VAL A 81 12.986 -16.765 -4.119 1.00 63.23 H new ATOM 0 HB VAL A 81 11.759 -18.368 -2.668 1.00 73.11 H new ATOM 0 HG11 VAL A 81 11.020 -20.528 -3.585 1.00 60.52 H new ATOM 0 HG12 VAL A 81 10.123 -19.166 -4.298 1.00 60.52 H new ATOM 0 HG13 VAL A 81 11.416 -19.963 -5.226 1.00 60.52 H new ATOM 0 HG21 VAL A 81 13.357 -20.231 -2.842 1.00 73.31 H new ATOM 0 HG22 VAL A 81 13.851 -19.653 -4.451 1.00 73.31 H new ATOM 0 HG23 VAL A 81 14.162 -18.653 -3.013 1.00 73.31 H new ATOM 1212 N LEU A 82 13.996 -17.958 -6.132 1.00 5.51 N ATOM 1213 CA LEU A 82 14.554 -18.360 -7.418 1.00 60.33 C ATOM 1214 C LEU A 82 14.908 -19.844 -7.418 1.00 5.13 C ATOM 1215 O LEU A 82 15.225 -20.418 -6.375 1.00 42.21 O ATOM 1216 CB LEU A 82 15.796 -17.528 -7.741 1.00 50.34 C ATOM 1217 CG LEU A 82 15.543 -16.079 -8.160 1.00 74.12 C ATOM 1218 CD1 LEU A 82 15.804 -15.134 -6.998 1.00 3.11 C ATOM 1219 CD2 LEU A 82 16.409 -15.710 -9.356 1.00 30.24 C ATOM 0 H LEU A 82 14.693 -17.760 -5.414 1.00 5.51 H new ATOM 0 HA LEU A 82 13.798 -18.185 -8.184 1.00 60.33 H new ATOM 0 HB2 LEU A 82 16.444 -17.524 -6.865 1.00 50.34 H new ATOM 0 HB3 LEU A 82 16.344 -18.026 -8.541 1.00 50.34 H new ATOM 0 HG LEU A 82 14.497 -15.983 -8.451 1.00 74.12 H new ATOM 0 HD11 LEU A 82 15.619 -14.108 -7.315 1.00 3.11 H new ATOM 0 HD12 LEU A 82 15.140 -15.383 -6.170 1.00 3.11 H new ATOM 0 HD13 LEU A 82 16.840 -15.232 -6.675 1.00 3.11 H new ATOM 0 HD21 LEU A 82 16.215 -14.676 -9.640 1.00 30.24 H new ATOM 0 HD22 LEU A 82 17.461 -15.823 -9.093 1.00 30.24 H new ATOM 0 HD23 LEU A 82 16.172 -16.367 -10.193 1.00 30.24 H new ATOM 1231 N THR A 83 14.855 -20.460 -8.594 1.00 61.54 N ATOM 1232 CA THR A 83 15.171 -21.877 -8.730 1.00 43.32 C ATOM 1233 C THR A 83 16.153 -22.114 -9.872 1.00 55.25 C ATOM 1234 O THR A 83 16.215 -21.334 -10.824 1.00 31.41 O ATOM 1235 CB THR A 83 13.902 -22.714 -8.976 1.00 64.53 C ATOM 1236 OG1 THR A 83 14.249 -24.095 -9.130 1.00 21.33 O ATOM 1237 CG2 THR A 83 13.166 -22.230 -10.217 1.00 24.45 C ATOM 0 H THR A 83 14.596 -20.000 -9.467 1.00 61.54 H new ATOM 0 HA THR A 83 15.628 -22.191 -7.791 1.00 43.32 H new ATOM 0 HB THR A 83 13.244 -22.598 -8.115 1.00 64.53 H new ATOM 0 HG1 THR A 83 14.102 -24.566 -8.283 1.00 21.33 H new ATOM 0 HG21 THR A 83 12.273 -22.836 -10.370 1.00 24.45 H new ATOM 0 HG22 THR A 83 12.878 -21.187 -10.086 1.00 24.45 H new ATOM 0 HG23 THR A 83 13.819 -22.320 -11.085 1.00 24.45 H new ATOM 1245 N THR A 84 16.919 -23.196 -9.774 1.00 14.15 N ATOM 1246 CA THR A 84 17.898 -23.536 -10.798 1.00 55.43 C ATOM 1247 C THR A 84 17.347 -24.583 -11.759 1.00 31.41 C ATOM 1248 O THR A 84 17.619 -24.542 -12.958 1.00 71.32 O ATOM 1249 CB THR A 84 19.204 -24.063 -10.175 1.00 35.22 C ATOM 1250 OG1 THR A 84 18.972 -25.332 -9.553 1.00 70.34 O ATOM 1251 CG2 THR A 84 19.748 -23.082 -9.148 1.00 11.22 C ATOM 0 H THR A 84 16.880 -23.853 -8.994 1.00 14.15 H new ATOM 0 HA THR A 84 18.112 -22.619 -11.347 1.00 55.43 H new ATOM 0 HB THR A 84 19.940 -24.177 -10.971 1.00 35.22 H new ATOM 0 HG1 THR A 84 19.807 -25.662 -9.161 1.00 70.34 H new ATOM 0 HG21 THR A 84 20.671 -23.476 -8.722 1.00 11.22 H new ATOM 0 HG22 THR A 84 19.950 -22.126 -9.630 1.00 11.22 H new ATOM 0 HG23 THR A 84 19.013 -22.941 -8.355 1.00 11.22 H new ATOM 1259 N GLU A 85 16.571 -25.521 -11.224 1.00 0.14 N ATOM 1260 CA GLU A 85 15.983 -26.580 -12.035 1.00 55.44 C ATOM 1261 C GLU A 85 14.705 -26.097 -12.716 1.00 14.04 C ATOM 1262 O GLU A 85 14.683 -25.859 -13.922 1.00 52.24 O ATOM 1263 CB GLU A 85 15.682 -27.807 -11.172 1.00 53.15 C ATOM 1264 CG GLU A 85 16.888 -28.702 -10.945 1.00 45.24 C ATOM 1265 CD GLU A 85 16.767 -29.536 -9.685 1.00 61.20 C ATOM 1266 OE1 GLU A 85 16.675 -28.946 -8.589 1.00 13.14 O ATOM 1267 OE2 GLU A 85 16.764 -30.780 -9.796 1.00 22.21 O ATOM 0 H GLU A 85 16.335 -25.569 -10.233 1.00 0.14 H new ATOM 0 HA GLU A 85 16.703 -26.855 -12.805 1.00 55.44 H new ATOM 0 HB2 GLU A 85 15.299 -27.477 -10.207 1.00 53.15 H new ATOM 0 HB3 GLU A 85 14.892 -28.389 -11.646 1.00 53.15 H new ATOM 0 HG2 GLU A 85 17.012 -29.363 -11.803 1.00 45.24 H new ATOM 0 HG3 GLU A 85 17.786 -28.087 -10.884 1.00 45.24 H new ATOM 1274 N GLY A 86 13.640 -25.956 -11.931 1.00 44.31 N ATOM 1275 CA GLY A 86 12.373 -25.503 -12.474 1.00 61.24 C ATOM 1276 C GLY A 86 11.365 -26.628 -12.609 1.00 4.42 C ATOM 1277 O GLY A 86 10.574 -26.651 -13.551 1.00 73.41 O ATOM 0 H GLY A 86 13.633 -26.148 -10.929 1.00 44.31 H new ATOM 0 HA2 GLY A 86 11.962 -24.726 -11.829 1.00 61.24 H new ATOM 0 HA3 GLY A 86 12.541 -25.050 -13.451 1.00 61.24 H new ATOM 1281 N SER A 87 11.395 -27.563 -11.665 1.00 2.11 N ATOM 1282 CA SER A 87 10.481 -28.699 -11.685 1.00 11.30 C ATOM 1283 C SER A 87 9.358 -28.511 -10.669 1.00 4.50 C ATOM 1284 O SER A 87 9.530 -27.832 -9.656 1.00 41.34 O ATOM 1285 CB SER A 87 11.238 -29.995 -11.391 1.00 60.22 C ATOM 1286 OG SER A 87 10.349 -31.094 -11.292 1.00 14.10 O ATOM 0 H SER A 87 12.042 -27.556 -10.877 1.00 2.11 H new ATOM 0 HA SER A 87 10.041 -28.762 -12.680 1.00 11.30 H new ATOM 0 HB2 SER A 87 11.966 -30.182 -12.181 1.00 60.22 H new ATOM 0 HB3 SER A 87 11.797 -29.890 -10.461 1.00 60.22 H new ATOM 0 HG SER A 87 10.858 -31.911 -11.105 1.00 14.10 H new ATOM 1292 N ASP A 88 8.210 -29.117 -10.947 1.00 55.54 N ATOM 1293 CA ASP A 88 7.058 -29.018 -10.058 1.00 51.33 C ATOM 1294 C ASP A 88 7.425 -29.451 -8.643 1.00 25.04 C ATOM 1295 O ASP A 88 6.986 -28.848 -7.664 1.00 52.43 O ATOM 1296 CB ASP A 88 5.905 -29.875 -10.584 1.00 45.23 C ATOM 1297 CG ASP A 88 5.531 -29.528 -12.012 1.00 13.12 C ATOM 1298 OD1 ASP A 88 5.368 -28.326 -12.307 1.00 2.44 O ATOM 1299 OD2 ASP A 88 5.399 -30.459 -12.834 1.00 1.00 O ATOM 0 H ASP A 88 8.052 -29.682 -11.781 1.00 55.54 H new ATOM 0 HA ASP A 88 6.741 -27.975 -10.029 1.00 51.33 H new ATOM 0 HB2 ASP A 88 6.184 -30.927 -10.530 1.00 45.23 H new ATOM 0 HB3 ASP A 88 5.035 -29.743 -9.941 1.00 45.23 H new ATOM 1304 N ALA A 89 8.234 -30.501 -8.542 1.00 34.32 N ATOM 1305 CA ALA A 89 8.661 -31.015 -7.246 1.00 51.23 C ATOM 1306 C ALA A 89 9.304 -29.917 -6.406 1.00 25.22 C ATOM 1307 O ALA A 89 8.999 -29.768 -5.222 1.00 41.15 O ATOM 1308 CB ALA A 89 9.627 -32.176 -7.431 1.00 50.43 C ATOM 0 H ALA A 89 8.607 -31.012 -9.342 1.00 34.32 H new ATOM 0 HA ALA A 89 7.779 -31.373 -6.715 1.00 51.23 H new ATOM 0 HB1 ALA A 89 9.938 -32.550 -6.455 1.00 50.43 H new ATOM 0 HB2 ALA A 89 9.134 -32.975 -7.986 1.00 50.43 H new ATOM 0 HB3 ALA A 89 10.502 -31.836 -7.985 1.00 50.43 H new ATOM 1314 N PHE A 90 10.197 -29.152 -7.024 1.00 43.53 N ATOM 1315 CA PHE A 90 10.886 -28.068 -6.332 1.00 74.11 C ATOM 1316 C PHE A 90 9.887 -27.142 -5.644 1.00 4.31 C ATOM 1317 O PHE A 90 10.120 -26.678 -4.527 1.00 64.13 O ATOM 1318 CB PHE A 90 11.745 -27.271 -7.316 1.00 15.44 C ATOM 1319 CG PHE A 90 12.868 -26.521 -6.659 1.00 10.42 C ATOM 1320 CD1 PHE A 90 12.611 -25.408 -5.875 1.00 54.50 C ATOM 1321 CD2 PHE A 90 14.182 -26.929 -6.826 1.00 14.52 C ATOM 1322 CE1 PHE A 90 13.642 -24.715 -5.269 1.00 21.31 C ATOM 1323 CE2 PHE A 90 15.217 -26.241 -6.222 1.00 1.41 C ATOM 1324 CZ PHE A 90 14.947 -25.132 -5.444 1.00 1.05 C ATOM 0 H PHE A 90 10.461 -29.262 -8.003 1.00 43.53 H new ATOM 0 HA PHE A 90 11.531 -28.507 -5.571 1.00 74.11 H new ATOM 0 HB2 PHE A 90 12.159 -27.952 -8.059 1.00 15.44 H new ATOM 0 HB3 PHE A 90 11.110 -26.564 -7.851 1.00 15.44 H new ATOM 0 HD1 PHE A 90 11.592 -25.078 -5.736 1.00 54.50 H new ATOM 0 HD2 PHE A 90 14.399 -27.794 -7.435 1.00 14.52 H new ATOM 0 HE1 PHE A 90 13.428 -23.849 -4.660 1.00 21.31 H new ATOM 0 HE2 PHE A 90 16.237 -26.570 -6.358 1.00 1.41 H new ATOM 0 HZ PHE A 90 15.755 -24.592 -4.973 1.00 1.05 H new ATOM 1334 N LYS A 91 8.774 -26.875 -6.319 1.00 22.44 N ATOM 1335 CA LYS A 91 7.739 -26.005 -5.774 1.00 74.21 C ATOM 1336 C LYS A 91 7.321 -26.463 -4.380 1.00 41.41 C ATOM 1337 O LYS A 91 7.034 -25.643 -3.508 1.00 72.21 O ATOM 1338 CB LYS A 91 6.521 -25.985 -6.702 1.00 4.35 C ATOM 1339 CG LYS A 91 6.854 -25.605 -8.134 1.00 25.00 C ATOM 1340 CD LYS A 91 5.729 -24.812 -8.777 1.00 32.50 C ATOM 1341 CE LYS A 91 4.566 -25.712 -9.166 1.00 53.14 C ATOM 1342 NZ LYS A 91 3.586 -25.865 -8.055 1.00 43.41 N ATOM 0 H LYS A 91 8.566 -27.249 -7.245 1.00 22.44 H new ATOM 0 HA LYS A 91 8.149 -24.998 -5.699 1.00 74.21 H new ATOM 0 HB2 LYS A 91 6.054 -26.970 -6.696 1.00 4.35 H new ATOM 0 HB3 LYS A 91 5.787 -25.281 -6.309 1.00 4.35 H new ATOM 0 HG2 LYS A 91 7.771 -25.016 -8.151 1.00 25.00 H new ATOM 0 HG3 LYS A 91 7.043 -26.507 -8.716 1.00 25.00 H new ATOM 0 HD2 LYS A 91 5.381 -24.045 -8.085 1.00 32.50 H new ATOM 0 HD3 LYS A 91 6.104 -24.297 -9.662 1.00 32.50 H new ATOM 0 HE2 LYS A 91 4.063 -25.298 -10.039 1.00 53.14 H new ATOM 0 HE3 LYS A 91 4.946 -26.693 -9.453 1.00 53.14 H new ATOM 0 HZ1 LYS A 91 2.683 -26.216 -8.434 1.00 43.41 H new ATOM 0 HZ2 LYS A 91 3.955 -26.542 -7.357 1.00 43.41 H new ATOM 0 HZ3 LYS A 91 3.434 -24.944 -7.596 1.00 43.41 H new ATOM 1356 N ALA A 92 7.291 -27.776 -4.177 1.00 44.33 N ATOM 1357 CA ALA A 92 6.913 -28.341 -2.888 1.00 73.13 C ATOM 1358 C ALA A 92 7.775 -27.775 -1.766 1.00 3.44 C ATOM 1359 O ALA A 92 7.294 -27.543 -0.657 1.00 21.21 O ATOM 1360 CB ALA A 92 7.021 -29.858 -2.925 1.00 72.33 C ATOM 0 H ALA A 92 7.524 -28.468 -4.889 1.00 44.33 H new ATOM 0 HA ALA A 92 5.877 -28.066 -2.689 1.00 73.13 H new ATOM 0 HB1 ALA A 92 6.736 -30.267 -1.956 1.00 72.33 H new ATOM 0 HB2 ALA A 92 6.357 -30.251 -3.694 1.00 72.33 H new ATOM 0 HB3 ALA A 92 8.048 -30.144 -3.151 1.00 72.33 H new ATOM 1366 N ALA A 93 9.052 -27.554 -2.060 1.00 63.35 N ATOM 1367 CA ALA A 93 9.981 -27.014 -1.076 1.00 4.21 C ATOM 1368 C ALA A 93 9.668 -25.553 -0.770 1.00 24.12 C ATOM 1369 O ALA A 93 9.358 -25.200 0.368 1.00 71.25 O ATOM 1370 CB ALA A 93 11.414 -27.157 -1.568 1.00 40.41 C ATOM 0 H ALA A 93 9.467 -27.741 -2.973 1.00 63.35 H new ATOM 0 HA ALA A 93 9.867 -27.584 -0.154 1.00 4.21 H new ATOM 0 HB1 ALA A 93 12.097 -26.749 -0.823 1.00 40.41 H new ATOM 0 HB2 ALA A 93 11.640 -28.211 -1.729 1.00 40.41 H new ATOM 0 HB3 ALA A 93 11.533 -26.613 -2.505 1.00 40.41 H new ATOM 1376 N ALA A 94 9.753 -24.708 -1.792 1.00 12.21 N ATOM 1377 CA ALA A 94 9.477 -23.286 -1.632 1.00 2.53 C ATOM 1378 C ALA A 94 8.119 -23.060 -0.975 1.00 43.05 C ATOM 1379 O ALA A 94 7.962 -22.166 -0.144 1.00 40.42 O ATOM 1380 CB ALA A 94 9.538 -22.581 -2.979 1.00 71.20 C ATOM 0 H ALA A 94 10.011 -24.984 -2.740 1.00 12.21 H new ATOM 0 HA ALA A 94 10.241 -22.865 -0.979 1.00 2.53 H new ATOM 0 HB1 ALA A 94 9.330 -21.520 -2.844 1.00 71.20 H new ATOM 0 HB2 ALA A 94 10.532 -22.704 -3.409 1.00 71.20 H new ATOM 0 HB3 ALA A 94 8.796 -23.014 -3.650 1.00 71.20 H new ATOM 1386 N ARG A 95 7.141 -23.876 -1.355 1.00 1.23 N ATOM 1387 CA ARG A 95 5.796 -23.763 -0.804 1.00 71.50 C ATOM 1388 C ARG A 95 5.757 -24.256 0.640 1.00 75.14 C ATOM 1389 O ARG A 95 5.030 -23.713 1.472 1.00 53.02 O ATOM 1390 CB ARG A 95 4.806 -24.562 -1.654 1.00 13.02 C ATOM 1391 CG ARG A 95 4.414 -23.866 -2.947 1.00 73.31 C ATOM 1392 CD ARG A 95 3.334 -22.821 -2.712 1.00 64.14 C ATOM 1393 NE ARG A 95 2.003 -23.417 -2.636 1.00 40.43 N ATOM 1394 CZ ARG A 95 1.295 -23.772 -3.702 1.00 52.24 C ATOM 1395 NH1 ARG A 95 1.788 -23.593 -4.920 1.00 3.10 N ATOM 1396 NH2 ARG A 95 0.090 -24.308 -3.552 1.00 3.21 N ATOM 0 H ARG A 95 7.255 -24.622 -2.042 1.00 1.23 H new ATOM 0 HA ARG A 95 5.511 -22.711 -0.818 1.00 71.50 H new ATOM 0 HB2 ARG A 95 5.244 -25.532 -1.891 1.00 13.02 H new ATOM 0 HB3 ARG A 95 3.908 -24.753 -1.067 1.00 13.02 H new ATOM 0 HG2 ARG A 95 5.291 -23.392 -3.387 1.00 73.31 H new ATOM 0 HG3 ARG A 95 4.057 -24.604 -3.665 1.00 73.31 H new ATOM 0 HD2 ARG A 95 3.544 -22.284 -1.787 1.00 64.14 H new ATOM 0 HD3 ARG A 95 3.357 -22.088 -3.518 1.00 64.14 H new ATOM 0 HE ARG A 95 1.595 -23.569 -1.714 1.00 40.43 H new ATOM 0 HH11 ARG A 95 2.714 -23.182 -5.040 1.00 3.10 H new ATOM 0 HH12 ARG A 95 1.242 -23.867 -5.737 1.00 3.10 H new ATOM 0 HH21 ARG A 95 -0.293 -24.448 -2.617 1.00 3.21 H new ATOM 0 HH22 ARG A 95 -0.453 -24.580 -4.372 1.00 3.21 H new ATOM 1410 N ASP A 96 6.542 -25.288 0.929 1.00 41.42 N ATOM 1411 CA ASP A 96 6.598 -25.853 2.272 1.00 73.43 C ATOM 1412 C ASP A 96 7.313 -24.907 3.231 1.00 64.32 C ATOM 1413 O ASP A 96 6.948 -24.800 4.401 1.00 73.21 O ATOM 1414 CB ASP A 96 7.307 -27.208 2.248 1.00 32.43 C ATOM 1415 CG ASP A 96 6.363 -28.350 1.925 1.00 22.12 C ATOM 1416 OD1 ASP A 96 6.820 -29.344 1.323 1.00 34.33 O ATOM 1417 OD2 ASP A 96 5.168 -28.249 2.274 1.00 71.15 O ATOM 0 H ASP A 96 7.148 -25.750 0.251 1.00 41.42 H new ATOM 0 HA ASP A 96 5.576 -25.992 2.624 1.00 73.43 H new ATOM 0 HB2 ASP A 96 8.108 -27.183 1.509 1.00 32.43 H new ATOM 0 HB3 ASP A 96 7.773 -27.388 3.217 1.00 32.43 H new ATOM 1422 N ALA A 97 8.336 -24.224 2.727 1.00 52.11 N ATOM 1423 CA ALA A 97 9.102 -23.286 3.538 1.00 22.53 C ATOM 1424 C ALA A 97 8.254 -22.082 3.934 1.00 23.41 C ATOM 1425 O ALA A 97 8.370 -21.567 5.045 1.00 25.32 O ATOM 1426 CB ALA A 97 10.347 -22.835 2.789 1.00 52.42 C ATOM 0 H ALA A 97 8.653 -24.303 1.761 1.00 52.11 H new ATOM 0 HA ALA A 97 9.407 -23.798 4.451 1.00 22.53 H new ATOM 0 HB1 ALA A 97 10.909 -22.135 3.407 1.00 52.42 H new ATOM 0 HB2 ALA A 97 10.969 -23.701 2.563 1.00 52.42 H new ATOM 0 HB3 ALA A 97 10.055 -22.346 1.860 1.00 52.42 H new ATOM 1432 N GLY A 98 7.401 -21.638 3.016 1.00 2.53 N ATOM 1433 CA GLY A 98 6.547 -20.496 3.289 1.00 71.43 C ATOM 1434 C GLY A 98 6.666 -19.417 2.231 1.00 71.43 C ATOM 1435 O GLY A 98 6.559 -18.229 2.532 1.00 65.01 O ATOM 0 H GLY A 98 7.286 -22.048 2.089 1.00 2.53 H new ATOM 0 HA2 GLY A 98 5.511 -20.828 3.350 1.00 71.43 H new ATOM 0 HA3 GLY A 98 6.806 -20.077 4.261 1.00 71.43 H new ATOM 1439 N ALA A 99 6.889 -19.832 0.988 1.00 51.32 N ATOM 1440 CA ALA A 99 7.022 -18.892 -0.118 1.00 43.23 C ATOM 1441 C ALA A 99 5.744 -18.836 -0.949 1.00 25.23 C ATOM 1442 O ALA A 99 5.096 -19.857 -1.179 1.00 71.51 O ATOM 1443 CB ALA A 99 8.207 -19.272 -0.994 1.00 50.01 C ATOM 0 H ALA A 99 6.981 -20.812 0.722 1.00 51.32 H new ATOM 0 HA ALA A 99 7.196 -17.900 0.300 1.00 43.23 H new ATOM 0 HB1 ALA A 99 8.294 -18.562 -1.816 1.00 50.01 H new ATOM 0 HB2 ALA A 99 9.120 -19.253 -0.399 1.00 50.01 H new ATOM 0 HB3 ALA A 99 8.056 -20.274 -1.395 1.00 50.01 H new ATOM 1449 N THR A 100 5.386 -17.637 -1.396 1.00 4.40 N ATOM 1450 CA THR A 100 4.185 -17.448 -2.199 1.00 50.41 C ATOM 1451 C THR A 100 4.411 -17.894 -3.639 1.00 54.42 C ATOM 1452 O THR A 100 3.687 -18.743 -4.157 1.00 32.11 O ATOM 1453 CB THR A 100 3.732 -15.975 -2.195 1.00 30.45 C ATOM 1454 OG1 THR A 100 3.459 -15.551 -0.855 1.00 34.15 O ATOM 1455 CG2 THR A 100 2.491 -15.788 -3.054 1.00 70.43 C ATOM 0 H THR A 100 5.911 -16.782 -1.215 1.00 4.40 H new ATOM 0 HA THR A 100 3.404 -18.062 -1.749 1.00 50.41 H new ATOM 0 HB THR A 100 4.537 -15.369 -2.611 1.00 30.45 H new ATOM 0 HG1 THR A 100 3.173 -14.614 -0.860 1.00 34.15 H new ATOM 0 HG21 THR A 100 2.190 -14.740 -3.036 1.00 70.43 H new ATOM 0 HG22 THR A 100 2.710 -16.085 -4.080 1.00 70.43 H new ATOM 0 HG23 THR A 100 1.682 -16.405 -2.663 1.00 70.43 H new ATOM 1463 N GLY A 101 5.421 -17.315 -4.282 1.00 15.10 N ATOM 1464 CA GLY A 101 5.724 -17.667 -5.657 1.00 14.50 C ATOM 1465 C GLY A 101 7.206 -17.888 -5.886 1.00 34.24 C ATOM 1466 O GLY A 101 8.029 -17.549 -5.036 1.00 11.42 O ATOM 0 H GLY A 101 6.034 -16.609 -3.875 1.00 15.10 H new ATOM 0 HA2 GLY A 101 5.179 -18.572 -5.926 1.00 14.50 H new ATOM 0 HA3 GLY A 101 5.372 -16.875 -6.318 1.00 14.50 H new ATOM 1470 N TRP A 102 7.546 -18.460 -7.035 1.00 31.44 N ATOM 1471 CA TRP A 102 8.939 -18.729 -7.371 1.00 45.23 C ATOM 1472 C TRP A 102 9.214 -18.422 -8.839 1.00 55.05 C ATOM 1473 O TRP A 102 8.286 -18.277 -9.636 1.00 52.11 O ATOM 1474 CB TRP A 102 9.287 -20.187 -7.069 1.00 31.32 C ATOM 1475 CG TRP A 102 8.827 -21.140 -8.131 1.00 3.13 C ATOM 1476 CD1 TRP A 102 7.692 -21.042 -8.884 1.00 65.01 C ATOM 1477 CD2 TRP A 102 9.491 -22.335 -8.555 1.00 21.40 C ATOM 1478 NE1 TRP A 102 7.611 -22.105 -9.751 1.00 52.23 N ATOM 1479 CE2 TRP A 102 8.702 -22.912 -9.570 1.00 24.02 C ATOM 1480 CE3 TRP A 102 10.676 -22.974 -8.178 1.00 54.21 C ATOM 1481 CZ2 TRP A 102 9.061 -24.096 -10.209 1.00 3.21 C ATOM 1482 CZ3 TRP A 102 11.030 -24.149 -8.813 1.00 43.32 C ATOM 1483 CH2 TRP A 102 10.226 -24.699 -9.820 1.00 21.51 C ATOM 0 H TRP A 102 6.877 -18.746 -7.749 1.00 31.44 H new ATOM 0 HA TRP A 102 9.565 -18.080 -6.759 1.00 45.23 H new ATOM 0 HB2 TRP A 102 10.367 -20.279 -6.952 1.00 31.32 H new ATOM 0 HB3 TRP A 102 8.838 -20.471 -6.117 1.00 31.32 H new ATOM 0 HD1 TRP A 102 6.965 -20.247 -8.809 1.00 65.01 H new ATOM 0 HE1 TRP A 102 6.859 -22.267 -10.421 1.00 52.23 H new ATOM 0 HE3 TRP A 102 11.303 -22.557 -7.404 1.00 54.21 H new ATOM 0 HZ2 TRP A 102 8.442 -24.523 -10.984 1.00 3.21 H new ATOM 0 HZ3 TRP A 102 11.942 -24.652 -8.528 1.00 43.32 H new ATOM 0 HH2 TRP A 102 10.532 -25.617 -10.299 1.00 21.51 H new ATOM 1494 N ILE A 103 10.491 -18.325 -9.191 1.00 3.34 N ATOM 1495 CA ILE A 103 10.886 -18.036 -10.564 1.00 32.41 C ATOM 1496 C ILE A 103 12.169 -18.773 -10.933 1.00 51.04 C ATOM 1497 O ILE A 103 12.848 -19.327 -10.070 1.00 2.01 O ATOM 1498 CB ILE A 103 11.092 -16.526 -10.785 1.00 62.31 C ATOM 1499 CG1 ILE A 103 11.565 -15.859 -9.492 1.00 30.21 C ATOM 1500 CG2 ILE A 103 9.805 -15.883 -11.280 1.00 4.22 C ATOM 1501 CD1 ILE A 103 10.434 -15.353 -8.625 1.00 12.23 C ATOM 0 H ILE A 103 11.271 -18.442 -8.544 1.00 3.34 H new ATOM 0 HA ILE A 103 10.075 -18.381 -11.205 1.00 32.41 H new ATOM 0 HB ILE A 103 11.860 -16.386 -11.545 1.00 62.31 H new ATOM 0 HG12 ILE A 103 12.159 -16.573 -8.921 1.00 30.21 H new ATOM 0 HG13 ILE A 103 12.222 -15.026 -9.742 1.00 30.21 H new ATOM 0 HG21 ILE A 103 9.966 -14.816 -11.432 1.00 4.22 H new ATOM 0 HG22 ILE A 103 9.508 -16.343 -12.223 1.00 4.22 H new ATOM 0 HG23 ILE A 103 9.017 -16.029 -10.541 1.00 4.22 H new ATOM 0 HD11 ILE A 103 10.843 -14.892 -7.726 1.00 12.23 H new ATOM 0 HD12 ILE A 103 9.853 -14.615 -9.179 1.00 12.23 H new ATOM 0 HD13 ILE A 103 9.789 -16.186 -8.345 1.00 12.23 H new ATOM 1513 N GLU A 104 12.495 -18.773 -12.222 1.00 53.12 N ATOM 1514 CA GLU A 104 13.698 -19.441 -12.705 1.00 55.24 C ATOM 1515 C GLU A 104 14.737 -18.423 -13.167 1.00 73.11 C ATOM 1516 O GLU A 104 14.486 -17.630 -14.075 1.00 33.02 O ATOM 1517 CB GLU A 104 13.353 -20.391 -13.854 1.00 24.51 C ATOM 1518 CG GLU A 104 12.407 -19.790 -14.879 1.00 40.02 C ATOM 1519 CD GLU A 104 12.802 -20.124 -16.304 1.00 71.55 C ATOM 1520 OE1 GLU A 104 13.455 -19.280 -16.952 1.00 52.54 O ATOM 1521 OE2 GLU A 104 12.458 -21.230 -16.772 1.00 63.10 O ATOM 0 H GLU A 104 11.943 -18.318 -12.950 1.00 53.12 H new ATOM 0 HA GLU A 104 14.120 -20.016 -11.881 1.00 55.24 H new ATOM 0 HB2 GLU A 104 14.274 -20.691 -14.354 1.00 24.51 H new ATOM 0 HB3 GLU A 104 12.903 -21.295 -13.444 1.00 24.51 H new ATOM 0 HG2 GLU A 104 11.396 -20.153 -14.692 1.00 40.02 H new ATOM 0 HG3 GLU A 104 12.385 -18.707 -14.756 1.00 40.02 H new ATOM 1528 N LYS A 105 15.905 -18.451 -12.535 1.00 61.20 N ATOM 1529 CA LYS A 105 16.984 -17.533 -12.879 1.00 61.04 C ATOM 1530 C LYS A 105 17.686 -17.974 -14.160 1.00 21.23 C ATOM 1531 O LYS A 105 17.639 -19.140 -14.552 1.00 75.21 O ATOM 1532 CB LYS A 105 17.995 -17.449 -11.734 1.00 22.23 C ATOM 1533 CG LYS A 105 19.125 -18.459 -11.844 1.00 54.20 C ATOM 1534 CD LYS A 105 19.630 -18.882 -10.475 1.00 30.00 C ATOM 1535 CE LYS A 105 20.276 -17.720 -9.736 1.00 22.42 C ATOM 1536 NZ LYS A 105 21.725 -17.959 -9.485 1.00 75.40 N ATOM 0 H LYS A 105 16.129 -19.100 -11.781 1.00 61.20 H new ATOM 0 HA LYS A 105 16.549 -16.547 -13.044 1.00 61.04 H new ATOM 0 HB2 LYS A 105 18.418 -16.445 -11.707 1.00 22.23 H new ATOM 0 HB3 LYS A 105 17.474 -17.601 -10.789 1.00 22.23 H new ATOM 0 HG2 LYS A 105 18.779 -19.335 -12.392 1.00 54.20 H new ATOM 0 HG3 LYS A 105 19.945 -18.028 -12.418 1.00 54.20 H new ATOM 0 HD2 LYS A 105 18.801 -19.274 -9.885 1.00 30.00 H new ATOM 0 HD3 LYS A 105 20.352 -19.691 -10.586 1.00 30.00 H new ATOM 0 HE2 LYS A 105 20.154 -16.807 -10.318 1.00 22.42 H new ATOM 0 HE3 LYS A 105 19.764 -17.564 -8.787 1.00 22.42 H new ATOM 0 HZ1 LYS A 105 22.129 -17.145 -8.980 1.00 75.40 H new ATOM 0 HZ2 LYS A 105 21.841 -18.817 -8.908 1.00 75.40 H new ATOM 0 HZ3 LYS A 105 22.219 -18.083 -10.392 1.00 75.40 H new ATOM 1550 N PRO A 106 18.355 -17.022 -14.827 1.00 60.20 N ATOM 1551 CA PRO A 106 18.418 -15.631 -14.370 1.00 2.21 C ATOM 1552 C PRO A 106 17.077 -14.917 -14.499 1.00 41.32 C ATOM 1553 O PRO A 106 16.118 -15.470 -15.039 1.00 4.12 O ATOM 1554 CB PRO A 106 19.453 -14.998 -15.303 1.00 4.41 C ATOM 1555 CG PRO A 106 19.413 -15.832 -16.536 1.00 73.31 C ATOM 1556 CD PRO A 106 19.101 -17.231 -16.080 1.00 12.34 C ATOM 0 HA PRO A 106 18.677 -15.560 -13.313 1.00 2.21 H new ATOM 0 HB2 PRO A 106 19.207 -13.959 -15.520 1.00 4.41 H new ATOM 0 HB3 PRO A 106 20.446 -15.003 -14.854 1.00 4.41 H new ATOM 0 HG2 PRO A 106 18.654 -15.469 -17.228 1.00 73.31 H new ATOM 0 HG3 PRO A 106 20.367 -15.797 -17.062 1.00 73.31 H new ATOM 0 HD2 PRO A 106 18.506 -17.771 -16.817 1.00 12.34 H new ATOM 0 HD3 PRO A 106 20.008 -17.812 -15.916 1.00 12.34 H new ATOM 1564 N ILE A 107 17.017 -13.686 -14.002 1.00 30.12 N ATOM 1565 CA ILE A 107 15.793 -12.897 -14.064 1.00 3.42 C ATOM 1566 C ILE A 107 15.975 -11.669 -14.950 1.00 4.12 C ATOM 1567 O ILE A 107 17.019 -11.017 -14.917 1.00 41.34 O ATOM 1568 CB ILE A 107 15.345 -12.442 -12.662 1.00 72.32 C ATOM 1569 CG1 ILE A 107 15.323 -13.631 -11.699 1.00 63.34 C ATOM 1570 CG2 ILE A 107 13.974 -11.785 -12.732 1.00 25.13 C ATOM 1571 CD1 ILE A 107 14.308 -14.690 -12.069 1.00 13.30 C ATOM 0 H ILE A 107 17.801 -13.214 -13.552 1.00 30.12 H new ATOM 0 HA ILE A 107 15.024 -13.540 -14.492 1.00 3.42 H new ATOM 0 HB ILE A 107 16.060 -11.709 -12.288 1.00 72.32 H new ATOM 0 HG12 ILE A 107 16.314 -14.084 -11.671 1.00 63.34 H new ATOM 0 HG13 ILE A 107 15.109 -13.270 -10.693 1.00 63.34 H new ATOM 0 HG21 ILE A 107 13.671 -11.469 -11.734 1.00 25.13 H new ATOM 0 HG22 ILE A 107 14.020 -10.917 -13.390 1.00 25.13 H new ATOM 0 HG23 ILE A 107 13.248 -12.498 -13.123 1.00 25.13 H new ATOM 0 HD11 ILE A 107 14.348 -15.502 -11.343 1.00 13.30 H new ATOM 0 HD12 ILE A 107 13.310 -14.253 -12.069 1.00 13.30 H new ATOM 0 HD13 ILE A 107 14.534 -15.079 -13.062 1.00 13.30 H new ATOM 1583 N ASP A 108 14.953 -11.359 -15.739 1.00 12.21 N ATOM 1584 CA ASP A 108 14.998 -10.207 -16.632 1.00 62.12 C ATOM 1585 C ASP A 108 14.424 -8.968 -15.952 1.00 21.44 C ATOM 1586 O ASP A 108 13.658 -9.056 -14.992 1.00 32.30 O ATOM 1587 CB ASP A 108 14.225 -10.502 -17.919 1.00 2.23 C ATOM 1588 CG ASP A 108 15.141 -10.733 -19.104 1.00 41.25 C ATOM 1589 OD1 ASP A 108 16.182 -11.400 -18.929 1.00 33.03 O ATOM 1590 OD2 ASP A 108 14.818 -10.245 -20.208 1.00 72.52 O ATOM 0 H ASP A 108 14.083 -11.889 -15.779 1.00 12.21 H new ATOM 0 HA ASP A 108 16.041 -10.012 -16.880 1.00 62.12 H new ATOM 0 HB2 ASP A 108 13.599 -11.382 -17.770 1.00 2.23 H new ATOM 0 HB3 ASP A 108 13.557 -9.669 -18.137 1.00 2.23 H new ATOM 1595 N PRO A 109 14.803 -7.785 -16.458 1.00 20.53 N ATOM 1596 CA PRO A 109 14.338 -6.506 -15.914 1.00 21.25 C ATOM 1597 C PRO A 109 12.859 -6.262 -16.191 1.00 12.53 C ATOM 1598 O PRO A 109 12.162 -5.641 -15.390 1.00 15.53 O ATOM 1599 CB PRO A 109 15.198 -5.475 -16.649 1.00 14.33 C ATOM 1600 CG PRO A 109 15.584 -6.143 -17.923 1.00 1.21 C ATOM 1601 CD PRO A 109 15.714 -7.606 -17.601 1.00 10.24 C ATOM 0 HA PRO A 109 14.434 -6.465 -14.829 1.00 21.25 H new ATOM 0 HB2 PRO A 109 14.642 -4.557 -16.836 1.00 14.33 H new ATOM 0 HB3 PRO A 109 16.076 -5.202 -16.063 1.00 14.33 H new ATOM 0 HG2 PRO A 109 14.831 -5.979 -18.694 1.00 1.21 H new ATOM 0 HG3 PRO A 109 16.523 -5.742 -18.305 1.00 1.21 H new ATOM 0 HD2 PRO A 109 15.426 -8.231 -18.446 1.00 10.24 H new ATOM 0 HD3 PRO A 109 16.739 -7.871 -17.343 1.00 10.24 H new ATOM 1609 N GLY A 110 12.385 -6.755 -17.331 1.00 44.32 N ATOM 1610 CA GLY A 110 10.991 -6.579 -17.693 1.00 61.32 C ATOM 1611 C GLY A 110 10.065 -7.462 -16.879 1.00 44.44 C ATOM 1612 O GLY A 110 8.974 -7.041 -16.496 1.00 34.52 O ATOM 0 H GLY A 110 12.942 -7.273 -18.010 1.00 44.32 H new ATOM 0 HA2 GLY A 110 10.711 -5.535 -17.551 1.00 61.32 H new ATOM 0 HA3 GLY A 110 10.863 -6.802 -18.752 1.00 61.32 H new ATOM 1616 N VAL A 111 10.501 -8.690 -16.616 1.00 12.41 N ATOM 1617 CA VAL A 111 9.703 -9.634 -15.843 1.00 22.21 C ATOM 1618 C VAL A 111 9.692 -9.263 -14.364 1.00 52.34 C ATOM 1619 O VAL A 111 8.659 -9.349 -13.699 1.00 73.41 O ATOM 1620 CB VAL A 111 10.233 -11.072 -15.996 1.00 34.54 C ATOM 1621 CG1 VAL A 111 9.407 -12.037 -15.158 1.00 24.14 C ATOM 1622 CG2 VAL A 111 10.230 -11.488 -17.459 1.00 23.11 C ATOM 0 H VAL A 111 11.402 -9.054 -16.927 1.00 12.41 H new ATOM 0 HA VAL A 111 8.687 -9.585 -16.234 1.00 22.21 H new ATOM 0 HB VAL A 111 11.261 -11.102 -15.635 1.00 34.54 H new ATOM 0 HG11 VAL A 111 9.796 -13.048 -15.278 1.00 24.14 H new ATOM 0 HG12 VAL A 111 9.465 -11.749 -14.108 1.00 24.14 H new ATOM 0 HG13 VAL A 111 8.368 -12.006 -15.486 1.00 24.14 H new ATOM 0 HG21 VAL A 111 10.608 -12.507 -17.548 1.00 23.11 H new ATOM 0 HG22 VAL A 111 9.213 -11.443 -17.848 1.00 23.11 H new ATOM 0 HG23 VAL A 111 10.868 -10.813 -18.030 1.00 23.11 H new ATOM 1632 N LEU A 112 10.847 -8.848 -13.855 1.00 74.24 N ATOM 1633 CA LEU A 112 10.971 -8.462 -12.454 1.00 75.20 C ATOM 1634 C LEU A 112 10.047 -7.293 -12.128 1.00 31.04 C ATOM 1635 O LEU A 112 9.210 -7.381 -11.229 1.00 23.23 O ATOM 1636 CB LEU A 112 12.419 -8.088 -12.134 1.00 13.31 C ATOM 1637 CG LEU A 112 12.767 -7.963 -10.650 1.00 43.33 C ATOM 1638 CD1 LEU A 112 14.264 -8.131 -10.438 1.00 33.14 C ATOM 1639 CD2 LEU A 112 12.296 -6.623 -10.103 1.00 24.22 C ATOM 0 H LEU A 112 11.711 -8.770 -14.392 1.00 74.24 H new ATOM 0 HA LEU A 112 10.679 -9.314 -11.840 1.00 75.20 H new ATOM 0 HB2 LEU A 112 13.074 -8.838 -12.578 1.00 13.31 H new ATOM 0 HB3 LEU A 112 12.644 -7.139 -12.621 1.00 13.31 H new ATOM 0 HG LEU A 112 12.252 -8.756 -10.107 1.00 43.33 H new ATOM 0 HD11 LEU A 112 14.494 -8.039 -9.376 1.00 33.14 H new ATOM 0 HD12 LEU A 112 14.574 -9.114 -10.792 1.00 33.14 H new ATOM 0 HD13 LEU A 112 14.799 -7.360 -10.993 1.00 33.14 H new ATOM 0 HD21 LEU A 112 12.552 -6.551 -9.046 1.00 24.22 H new ATOM 0 HD22 LEU A 112 12.783 -5.815 -10.650 1.00 24.22 H new ATOM 0 HD23 LEU A 112 11.215 -6.541 -10.221 1.00 24.22 H new ATOM 1651 N VAL A 113 10.203 -6.198 -12.865 1.00 72.45 N ATOM 1652 CA VAL A 113 9.381 -5.012 -12.657 1.00 72.40 C ATOM 1653 C VAL A 113 7.897 -5.359 -12.696 1.00 54.44 C ATOM 1654 O VAL A 113 7.095 -4.781 -11.963 1.00 43.50 O ATOM 1655 CB VAL A 113 9.673 -3.933 -13.717 1.00 23.44 C ATOM 1656 CG1 VAL A 113 8.776 -2.723 -13.508 1.00 42.10 C ATOM 1657 CG2 VAL A 113 11.140 -3.533 -13.678 1.00 24.12 C ATOM 0 H VAL A 113 10.892 -6.108 -13.612 1.00 72.45 H new ATOM 0 HA VAL A 113 9.634 -4.620 -11.672 1.00 72.40 H new ATOM 0 HB VAL A 113 9.459 -4.348 -14.702 1.00 23.44 H new ATOM 0 HG11 VAL A 113 8.997 -1.971 -14.266 1.00 42.10 H new ATOM 0 HG12 VAL A 113 7.732 -3.026 -13.590 1.00 42.10 H new ATOM 0 HG13 VAL A 113 8.956 -2.304 -12.518 1.00 42.10 H new ATOM 0 HG21 VAL A 113 11.329 -2.770 -14.433 1.00 24.12 H new ATOM 0 HG22 VAL A 113 11.383 -3.136 -12.692 1.00 24.12 H new ATOM 0 HG23 VAL A 113 11.761 -4.406 -13.881 1.00 24.12 H new ATOM 1667 N GLU A 114 7.538 -6.306 -13.557 1.00 41.03 N ATOM 1668 CA GLU A 114 6.149 -6.729 -13.692 1.00 1.20 C ATOM 1669 C GLU A 114 5.688 -7.487 -12.450 1.00 42.42 C ATOM 1670 O GLU A 114 4.537 -7.367 -12.028 1.00 23.44 O ATOM 1671 CB GLU A 114 5.979 -7.609 -14.932 1.00 54.53 C ATOM 1672 CG GLU A 114 5.961 -6.827 -16.235 1.00 51.11 C ATOM 1673 CD GLU A 114 4.617 -6.180 -16.509 1.00 71.54 C ATOM 1674 OE1 GLU A 114 4.167 -6.216 -17.674 1.00 23.22 O ATOM 1675 OE2 GLU A 114 4.015 -5.639 -15.559 1.00 13.04 O ATOM 0 H GLU A 114 8.189 -6.795 -14.171 1.00 41.03 H new ATOM 0 HA GLU A 114 5.533 -5.836 -13.801 1.00 1.20 H new ATOM 0 HB2 GLU A 114 6.791 -8.336 -14.965 1.00 54.53 H new ATOM 0 HB3 GLU A 114 5.050 -8.172 -14.843 1.00 54.53 H new ATOM 0 HG2 GLU A 114 6.731 -6.056 -16.202 1.00 51.11 H new ATOM 0 HG3 GLU A 114 6.213 -7.495 -17.059 1.00 51.11 H new ATOM 1682 N LEU A 115 6.594 -8.267 -11.870 1.00 51.54 N ATOM 1683 CA LEU A 115 6.282 -9.045 -10.677 1.00 35.20 C ATOM 1684 C LEU A 115 5.967 -8.131 -9.497 1.00 43.11 C ATOM 1685 O LEU A 115 5.088 -8.425 -8.687 1.00 50.13 O ATOM 1686 CB LEU A 115 7.450 -9.967 -10.325 1.00 63.23 C ATOM 1687 CG LEU A 115 7.548 -11.264 -11.129 1.00 74.14 C ATOM 1688 CD1 LEU A 115 8.796 -12.041 -10.741 1.00 43.51 C ATOM 1689 CD2 LEU A 115 6.303 -12.115 -10.923 1.00 13.55 C ATOM 0 H LEU A 115 7.550 -8.377 -12.207 1.00 51.54 H new ATOM 0 HA LEU A 115 5.401 -9.650 -10.889 1.00 35.20 H new ATOM 0 HB2 LEU A 115 8.378 -9.411 -10.456 1.00 63.23 H new ATOM 0 HB3 LEU A 115 7.379 -10.223 -9.268 1.00 63.23 H new ATOM 0 HG LEU A 115 7.619 -11.008 -12.186 1.00 74.14 H new ATOM 0 HD11 LEU A 115 8.848 -12.961 -11.324 1.00 43.51 H new ATOM 0 HD12 LEU A 115 9.679 -11.434 -10.941 1.00 43.51 H new ATOM 0 HD13 LEU A 115 8.757 -12.286 -9.680 1.00 43.51 H new ATOM 0 HD21 LEU A 115 6.390 -13.034 -11.503 1.00 13.55 H new ATOM 0 HD22 LEU A 115 6.201 -12.361 -9.866 1.00 13.55 H new ATOM 0 HD23 LEU A 115 5.424 -11.560 -11.253 1.00 13.55 H new ATOM 1701 N VAL A 116 6.691 -7.019 -9.407 1.00 73.33 N ATOM 1702 CA VAL A 116 6.487 -6.060 -8.329 1.00 2.34 C ATOM 1703 C VAL A 116 5.355 -5.093 -8.659 1.00 63.41 C ATOM 1704 O VAL A 116 4.605 -4.676 -7.778 1.00 12.22 O ATOM 1705 CB VAL A 116 7.769 -5.254 -8.045 1.00 32.12 C ATOM 1706 CG1 VAL A 116 7.591 -4.386 -6.808 1.00 63.04 C ATOM 1707 CG2 VAL A 116 8.960 -6.187 -7.885 1.00 34.12 C ATOM 0 H VAL A 116 7.424 -6.761 -10.068 1.00 73.33 H new ATOM 0 HA VAL A 116 6.223 -6.634 -7.441 1.00 2.34 H new ATOM 0 HB VAL A 116 7.961 -4.599 -8.895 1.00 32.12 H new ATOM 0 HG11 VAL A 116 8.507 -3.824 -6.623 1.00 63.04 H new ATOM 0 HG12 VAL A 116 6.765 -3.692 -6.966 1.00 63.04 H new ATOM 0 HG13 VAL A 116 7.374 -5.019 -5.948 1.00 63.04 H new ATOM 0 HG21 VAL A 116 9.857 -5.601 -7.685 1.00 34.12 H new ATOM 0 HG22 VAL A 116 8.779 -6.869 -7.054 1.00 34.12 H new ATOM 0 HG23 VAL A 116 9.098 -6.761 -8.801 1.00 34.12 H new ATOM 1717 N ALA A 117 5.238 -4.742 -9.936 1.00 22.25 N ATOM 1718 CA ALA A 117 4.196 -3.827 -10.383 1.00 40.24 C ATOM 1719 C ALA A 117 2.823 -4.277 -9.896 1.00 2.15 C ATOM 1720 O ALA A 117 2.102 -3.516 -9.249 1.00 73.33 O ATOM 1721 CB ALA A 117 4.208 -3.715 -11.901 1.00 5.22 C ATOM 0 H ALA A 117 5.852 -5.078 -10.678 1.00 22.25 H new ATOM 0 HA ALA A 117 4.401 -2.846 -9.955 1.00 40.24 H new ATOM 0 HB1 ALA A 117 3.424 -3.028 -12.221 1.00 5.22 H new ATOM 0 HB2 ALA A 117 5.177 -3.339 -12.230 1.00 5.22 H new ATOM 0 HB3 ALA A 117 4.031 -4.697 -12.340 1.00 5.22 H new ATOM 1727 N THR A 118 2.466 -5.519 -10.209 1.00 44.43 N ATOM 1728 CA THR A 118 1.179 -6.069 -9.805 1.00 22.44 C ATOM 1729 C THR A 118 0.947 -5.884 -8.309 1.00 42.55 C ATOM 1730 O THR A 118 -0.181 -5.659 -7.869 1.00 1.50 O ATOM 1731 CB THR A 118 1.077 -7.568 -10.146 1.00 51.10 C ATOM 1732 OG1 THR A 118 -0.213 -8.068 -9.776 1.00 2.22 O ATOM 1733 CG2 THR A 118 2.159 -8.361 -9.429 1.00 71.30 C ATOM 0 H THR A 118 3.051 -6.163 -10.741 1.00 44.43 H new ATOM 0 HA THR A 118 0.415 -5.524 -10.359 1.00 22.44 H new ATOM 0 HB THR A 118 1.216 -7.684 -11.221 1.00 51.10 H new ATOM 0 HG1 THR A 118 -0.270 -9.021 -9.997 1.00 2.22 H new ATOM 0 HG21 THR A 118 2.067 -9.416 -9.685 1.00 71.30 H new ATOM 0 HG22 THR A 118 3.140 -7.998 -9.735 1.00 71.30 H new ATOM 0 HG23 THR A 118 2.047 -8.238 -8.352 1.00 71.30 H new ATOM 1741 N LEU A 119 2.021 -5.978 -7.533 1.00 32.02 N ATOM 1742 CA LEU A 119 1.934 -5.819 -6.085 1.00 63.32 C ATOM 1743 C LEU A 119 1.785 -4.349 -5.707 1.00 21.24 C ATOM 1744 O LEU A 119 0.973 -3.998 -4.851 1.00 0.40 O ATOM 1745 CB LEU A 119 3.176 -6.407 -5.413 1.00 30.42 C ATOM 1746 CG LEU A 119 3.538 -7.840 -5.807 1.00 51.21 C ATOM 1747 CD1 LEU A 119 4.712 -8.341 -4.980 1.00 52.31 C ATOM 1748 CD2 LEU A 119 2.336 -8.758 -5.642 1.00 20.45 C ATOM 0 H LEU A 119 2.962 -6.163 -7.881 1.00 32.02 H new ATOM 0 HA LEU A 119 1.051 -6.356 -5.737 1.00 63.32 H new ATOM 0 HB2 LEU A 119 4.026 -5.763 -5.640 1.00 30.42 H new ATOM 0 HB3 LEU A 119 3.030 -6.374 -4.333 1.00 30.42 H new ATOM 0 HG LEU A 119 3.832 -7.845 -6.857 1.00 51.21 H new ATOM 0 HD11 LEU A 119 4.955 -9.362 -5.274 1.00 52.31 H new ATOM 0 HD12 LEU A 119 5.576 -7.699 -5.149 1.00 52.31 H new ATOM 0 HD13 LEU A 119 4.447 -8.322 -3.923 1.00 52.31 H new ATOM 0 HD21 LEU A 119 2.612 -9.773 -5.927 1.00 20.45 H new ATOM 0 HD22 LEU A 119 2.011 -8.749 -4.602 1.00 20.45 H new ATOM 0 HD23 LEU A 119 1.523 -8.411 -6.279 1.00 20.45 H new ATOM 1760 N SER A 120 2.573 -3.495 -6.351 1.00 50.52 N ATOM 1761 CA SER A 120 2.530 -2.062 -6.081 1.00 72.21 C ATOM 1762 C SER A 120 1.158 -1.487 -6.420 1.00 42.53 C ATOM 1763 O SER A 120 0.616 -0.670 -5.677 1.00 14.11 O ATOM 1764 CB SER A 120 3.612 -1.338 -6.883 1.00 43.44 C ATOM 1765 OG SER A 120 3.298 -1.321 -8.265 1.00 52.10 O ATOM 0 H SER A 120 3.249 -3.770 -7.064 1.00 50.52 H new ATOM 0 HA SER A 120 2.715 -1.911 -5.017 1.00 72.21 H new ATOM 0 HB2 SER A 120 3.717 -0.316 -6.518 1.00 43.44 H new ATOM 0 HB3 SER A 120 4.572 -1.831 -6.731 1.00 43.44 H new ATOM 0 HG SER A 120 2.913 -2.184 -8.524 1.00 52.10 H new ATOM 1771 N GLU A 121 0.604 -1.919 -7.549 1.00 24.23 N ATOM 1772 CA GLU A 121 -0.703 -1.446 -7.987 1.00 74.23 C ATOM 1773 C GLU A 121 -1.812 -2.367 -7.485 1.00 24.20 C ATOM 1774 O GLU A 121 -1.602 -3.555 -7.239 1.00 30.24 O ATOM 1775 CB GLU A 121 -0.752 -1.357 -9.514 1.00 54.10 C ATOM 1776 CG GLU A 121 -0.874 -2.708 -10.199 1.00 54.42 C ATOM 1777 CD GLU A 121 -0.579 -2.637 -11.685 1.00 4.02 C ATOM 1778 OE1 GLU A 121 -1.533 -2.462 -12.471 1.00 41.23 O ATOM 1779 OE2 GLU A 121 0.606 -2.757 -12.061 1.00 31.12 O ATOM 0 H GLU A 121 1.040 -2.595 -8.176 1.00 24.23 H new ATOM 0 HA GLU A 121 -0.861 -0.453 -7.566 1.00 74.23 H new ATOM 0 HB2 GLU A 121 -1.597 -0.733 -9.806 1.00 54.10 H new ATOM 0 HB3 GLU A 121 0.150 -0.859 -9.870 1.00 54.10 H new ATOM 0 HG2 GLU A 121 -0.188 -3.413 -9.729 1.00 54.42 H new ATOM 0 HG3 GLU A 121 -1.881 -3.097 -10.050 1.00 54.42 H new ATOM 1786 N PRO A 122 -3.020 -1.807 -7.329 1.00 33.24 N ATOM 1787 CA PRO A 122 -4.186 -2.559 -6.854 1.00 62.24 C ATOM 1788 C PRO A 122 -4.680 -3.572 -7.882 1.00 43.20 C ATOM 1789 O PRO A 122 -4.026 -3.809 -8.897 1.00 61.11 O ATOM 1790 CB PRO A 122 -5.239 -1.473 -6.625 1.00 15.11 C ATOM 1791 CG PRO A 122 -4.844 -0.363 -7.537 1.00 31.13 C ATOM 1792 CD PRO A 122 -3.342 -0.397 -7.603 1.00 53.21 C ATOM 0 HA PRO A 122 -3.958 -3.145 -5.964 1.00 62.24 H new ATOM 0 HB2 PRO A 122 -6.240 -1.837 -6.856 1.00 15.11 H new ATOM 0 HB3 PRO A 122 -5.251 -1.146 -5.585 1.00 15.11 H new ATOM 0 HG2 PRO A 122 -5.281 -0.496 -8.526 1.00 31.13 H new ATOM 0 HG3 PRO A 122 -5.197 0.597 -7.159 1.00 31.13 H new ATOM 0 HD2 PRO A 122 -2.976 -0.084 -8.581 1.00 53.21 H new ATOM 0 HD3 PRO A 122 -2.892 0.268 -6.866 1.00 53.21 H new ATOM 1800 N ALA A 123 -5.838 -4.165 -7.612 1.00 24.42 N ATOM 1801 CA ALA A 123 -6.420 -5.151 -8.515 1.00 1.54 C ATOM 1802 C ALA A 123 -6.527 -4.600 -9.933 1.00 23.13 C ATOM 1803 O ALA A 123 -6.565 -3.387 -10.137 1.00 30.25 O ATOM 1804 CB ALA A 123 -7.788 -5.585 -8.010 1.00 53.44 C ATOM 0 H ALA A 123 -6.392 -3.980 -6.776 1.00 24.42 H new ATOM 0 HA ALA A 123 -5.762 -6.019 -8.540 1.00 1.54 H new ATOM 0 HB1 ALA A 123 -8.211 -6.321 -8.693 1.00 53.44 H new ATOM 0 HB2 ALA A 123 -7.687 -6.026 -7.019 1.00 53.44 H new ATOM 0 HB3 ALA A 123 -8.447 -4.719 -7.956 1.00 53.44 H new ATOM 1810 N ALA A 124 -6.574 -5.500 -10.910 1.00 4.13 N ATOM 1811 CA ALA A 124 -6.677 -5.104 -12.309 1.00 11.24 C ATOM 1812 C ALA A 124 -6.795 -6.323 -13.217 1.00 40.21 C ATOM 1813 O ALA A 124 -5.995 -6.505 -14.134 1.00 11.12 O ATOM 1814 CB ALA A 124 -5.476 -4.259 -12.708 1.00 72.34 C ATOM 0 H ALA A 124 -6.542 -6.508 -10.758 1.00 4.13 H new ATOM 0 HA ALA A 124 -7.582 -4.508 -12.427 1.00 11.24 H new ATOM 0 HB1 ALA A 124 -5.566 -3.970 -13.755 1.00 72.34 H new ATOM 0 HB2 ALA A 124 -5.438 -3.364 -12.087 1.00 72.34 H new ATOM 0 HB3 ALA A 124 -4.562 -4.837 -12.568 1.00 72.34 H new ATOM 1820 N ASN A 125 -7.797 -7.155 -12.955 1.00 74.44 N ATOM 1821 CA ASN A 125 -8.019 -8.359 -13.749 1.00 43.44 C ATOM 1822 C ASN A 125 -8.431 -8.002 -15.174 1.00 42.24 C ATOM 1823 O ASN A 125 -8.103 -8.715 -16.122 1.00 42.34 O ATOM 1824 CB ASN A 125 -9.093 -9.233 -13.100 1.00 31.04 C ATOM 1825 CG ASN A 125 -10.466 -8.592 -13.146 1.00 15.31 C ATOM 1826 OD1 ASN A 125 -10.633 -7.428 -12.781 1.00 1.23 O ATOM 1827 ND2 ASN A 125 -11.459 -9.351 -13.596 1.00 42.54 N ATOM 0 H ASN A 125 -8.468 -7.018 -12.199 1.00 74.44 H new ATOM 0 HA ASN A 125 -7.083 -8.916 -13.788 1.00 43.44 H new ATOM 0 HB2 ASN A 125 -9.128 -10.197 -13.607 1.00 31.04 H new ATOM 0 HB3 ASN A 125 -8.821 -9.428 -12.063 1.00 31.04 H new ATOM 0 HD21 ASN A 125 -12.405 -8.974 -13.649 1.00 42.54 H new ATOM 0 HD22 ASN A 125 -11.275 -10.311 -13.888 1.00 42.54 H new TER 1834 ASN A 125