USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 607 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 Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 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 ASN : amide:sc= -0.0959 X(o=-0.096,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 24 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.36) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0768 X(o=-0.077,f=-0.077) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.98 X(o=-0.98,f=-1.3) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 159:sc= -0.821 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.977 K(o=-0.98,f=-1.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0264 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -2.57 K(o=-2.6,f=-1.1) USER MOD Single : A 66 SER OG : rot 180:sc= -0.762 USER MOD Single : A 67 THR OG1 : rot 180:sc=-0.00186 USER MOD Single : A 69 ASN : amide:sc= -1.35 K(o=-1.4,f=-7.4!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0.064) USER MOD Single : A 72 ASN : amide:sc= -0.0885 X(o=-0.088,f=-0.088) USER MOD Single : A 74 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.173) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 102:sc= -0.411 USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00789) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00505 X(o=-0.005,f=0) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 16.788 -0.039 1.504 1.00 62.50 N ATOM 72 CA VAL A 6 18.045 -0.749 1.715 1.00 55.23 C ATOM 73 C VAL A 6 18.675 -0.366 3.049 1.00 14.01 C ATOM 74 O VAL A 6 19.876 -0.110 3.129 1.00 11.52 O ATOM 75 CB VAL A 6 19.049 -0.460 0.583 1.00 10.54 C ATOM 76 CG1 VAL A 6 18.541 -1.017 -0.737 1.00 71.14 C ATOM 77 CG2 VAL A 6 19.313 1.035 0.475 1.00 75.33 C ATOM 0 HA VAL A 6 17.811 -1.814 1.720 1.00 55.23 H new ATOM 0 HB VAL A 6 19.990 -0.956 0.820 1.00 10.54 H new ATOM 0 HG11 VAL A 6 19.264 -0.803 -1.524 1.00 71.14 H new ATOM 0 HG12 VAL A 6 18.408 -2.095 -0.650 1.00 71.14 H new ATOM 0 HG13 VAL A 6 17.586 -0.553 -0.985 1.00 71.14 H new ATOM 0 HG21 VAL A 6 20.024 1.222 -0.329 1.00 75.33 H new ATOM 0 HG22 VAL A 6 18.379 1.555 0.261 1.00 75.33 H new ATOM 0 HG23 VAL A 6 19.725 1.401 1.416 1.00 75.33 H new ATOM 87 N SER A 7 17.856 -0.330 4.095 1.00 14.14 N ATOM 88 CA SER A 7 18.332 0.025 5.427 1.00 31.11 C ATOM 89 C SER A 7 18.820 -1.211 6.177 1.00 62.04 C ATOM 90 O SER A 7 18.021 -2.013 6.660 1.00 73.44 O ATOM 91 CB SER A 7 17.221 0.712 6.223 1.00 14.00 C ATOM 92 OG SER A 7 17.250 2.116 6.033 1.00 64.00 O ATOM 0 H SER A 7 16.860 -0.542 4.046 1.00 14.14 H new ATOM 0 HA SER A 7 19.168 0.715 5.315 1.00 31.11 H new ATOM 0 HB2 SER A 7 16.252 0.320 5.914 1.00 14.00 H new ATOM 0 HB3 SER A 7 17.334 0.483 7.283 1.00 14.00 H new ATOM 0 HG SER A 7 16.529 2.531 6.551 1.00 64.00 H new ATOM 98 N ILE A 8 20.138 -1.357 6.269 1.00 54.00 N ATOM 99 CA ILE A 8 20.733 -2.494 6.960 1.00 1.20 C ATOM 100 C ILE A 8 21.543 -2.039 8.170 1.00 74.32 C ATOM 101 O ILE A 8 22.081 -0.932 8.189 1.00 34.32 O ATOM 102 CB ILE A 8 21.645 -3.308 6.023 1.00 51.31 C ATOM 103 CG1 ILE A 8 22.978 -2.585 5.818 1.00 54.32 C ATOM 104 CG2 ILE A 8 20.955 -3.546 4.688 1.00 34.43 C ATOM 105 CD1 ILE A 8 24.120 -3.187 6.606 1.00 75.32 C ATOM 0 H ILE A 8 20.813 -0.703 5.874 1.00 54.00 H new ATOM 0 HA ILE A 8 19.910 -3.127 7.293 1.00 1.20 H new ATOM 0 HB ILE A 8 21.845 -4.275 6.485 1.00 51.31 H new ATOM 0 HG12 ILE A 8 23.231 -2.600 4.758 1.00 54.32 H new ATOM 0 HG13 ILE A 8 22.862 -1.539 6.103 1.00 54.32 H new ATOM 0 HG21 ILE A 8 21.612 -4.122 4.037 1.00 34.43 H new ATOM 0 HG22 ILE A 8 20.029 -4.098 4.850 1.00 34.43 H new ATOM 0 HG23 ILE A 8 20.729 -2.588 4.219 1.00 34.43 H new ATOM 0 HD11 ILE A 8 25.033 -2.624 6.412 1.00 75.32 H new ATOM 0 HD12 ILE A 8 23.888 -3.147 7.670 1.00 75.32 H new ATOM 0 HD13 ILE A 8 24.263 -4.225 6.304 1.00 75.32 H new ATOM 117 N SER A 9 21.626 -2.902 9.177 1.00 20.33 N ATOM 118 CA SER A 9 22.369 -2.589 10.393 1.00 74.04 C ATOM 119 C SER A 9 23.592 -3.490 10.529 1.00 45.32 C ATOM 120 O SER A 9 23.471 -4.686 10.791 1.00 70.54 O ATOM 121 CB SER A 9 21.468 -2.744 11.620 1.00 42.22 C ATOM 122 OG SER A 9 21.877 -1.879 12.665 1.00 43.42 O ATOM 0 H SER A 9 21.188 -3.823 9.176 1.00 20.33 H new ATOM 0 HA SER A 9 22.707 -1.555 10.327 1.00 74.04 H new ATOM 0 HB2 SER A 9 20.435 -2.527 11.347 1.00 42.22 H new ATOM 0 HB3 SER A 9 21.495 -3.777 11.967 1.00 42.22 H new ATOM 0 HG SER A 9 21.285 -1.996 13.437 1.00 43.42 H new ATOM 128 N VAL A 10 24.773 -2.905 10.349 1.00 54.01 N ATOM 129 CA VAL A 10 26.020 -3.653 10.452 1.00 10.24 C ATOM 130 C VAL A 10 26.638 -3.501 11.838 1.00 63.34 C ATOM 131 O VAL A 10 26.690 -2.402 12.389 1.00 45.35 O ATOM 132 CB VAL A 10 27.040 -3.192 9.394 1.00 72.41 C ATOM 133 CG1 VAL A 10 27.430 -1.740 9.624 1.00 74.22 C ATOM 134 CG2 VAL A 10 28.267 -4.091 9.410 1.00 32.55 C ATOM 0 H VAL A 10 24.891 -1.916 10.131 1.00 54.01 H new ATOM 0 HA VAL A 10 25.776 -4.701 10.278 1.00 10.24 H new ATOM 0 HB VAL A 10 26.576 -3.267 8.411 1.00 72.41 H new ATOM 0 HG11 VAL A 10 28.151 -1.433 8.867 1.00 74.22 H new ATOM 0 HG12 VAL A 10 26.543 -1.110 9.557 1.00 74.22 H new ATOM 0 HG13 VAL A 10 27.876 -1.635 10.613 1.00 74.22 H new ATOM 0 HG21 VAL A 10 28.977 -3.751 8.656 1.00 32.55 H new ATOM 0 HG22 VAL A 10 28.735 -4.051 10.394 1.00 32.55 H new ATOM 0 HG23 VAL A 10 27.969 -5.117 9.191 1.00 32.55 H new ATOM 144 N SER A 11 27.106 -4.613 12.396 1.00 64.24 N ATOM 145 CA SER A 11 27.719 -4.605 13.719 1.00 71.11 C ATOM 146 C SER A 11 29.201 -4.955 13.633 1.00 24.15 C ATOM 147 O SER A 11 29.637 -6.029 14.049 1.00 72.21 O ATOM 148 CB SER A 11 27.002 -5.593 14.642 1.00 44.32 C ATOM 149 OG SER A 11 27.518 -5.525 15.960 1.00 13.31 O ATOM 0 H SER A 11 27.072 -5.531 11.952 1.00 64.24 H new ATOM 0 HA SER A 11 27.625 -3.600 14.131 1.00 71.11 H new ATOM 0 HB2 SER A 11 25.934 -5.375 14.654 1.00 44.32 H new ATOM 0 HB3 SER A 11 27.116 -6.606 14.255 1.00 44.32 H new ATOM 0 HG SER A 11 27.043 -6.164 16.531 1.00 13.31 H new ATOM 155 N PRO A 12 29.997 -4.027 13.081 1.00 12.14 N ATOM 156 CA PRO A 12 31.443 -4.213 12.928 1.00 33.12 C ATOM 157 C PRO A 12 32.175 -4.187 14.265 1.00 5.33 C ATOM 158 O PRO A 12 31.696 -3.602 15.237 1.00 12.31 O ATOM 159 CB PRO A 12 31.864 -3.022 12.064 1.00 62.11 C ATOM 160 CG PRO A 12 30.831 -1.981 12.324 1.00 51.10 C ATOM 161 CD PRO A 12 29.546 -2.724 12.565 1.00 51.24 C ATOM 0 HA PRO A 12 31.686 -5.181 12.490 1.00 33.12 H new ATOM 0 HB2 PRO A 12 32.859 -2.669 12.335 1.00 62.11 H new ATOM 0 HB3 PRO A 12 31.898 -3.291 11.008 1.00 62.11 H new ATOM 0 HG2 PRO A 12 31.098 -1.373 13.188 1.00 51.10 H new ATOM 0 HG3 PRO A 12 30.737 -1.304 11.475 1.00 51.10 H new ATOM 0 HD2 PRO A 12 28.911 -2.206 13.283 1.00 51.24 H new ATOM 0 HD3 PRO A 12 28.967 -2.833 11.648 1.00 51.24 H new ATOM 169 N THR A 13 33.342 -4.824 14.309 1.00 55.13 N ATOM 170 CA THR A 13 34.140 -4.874 15.527 1.00 42.03 C ATOM 171 C THR A 13 35.403 -4.030 15.392 1.00 75.25 C ATOM 172 O THR A 13 36.292 -4.349 14.604 1.00 22.32 O ATOM 173 CB THR A 13 34.538 -6.320 15.879 1.00 41.15 C ATOM 174 OG1 THR A 13 33.520 -7.228 15.442 1.00 5.05 O ATOM 175 CG2 THR A 13 34.753 -6.473 17.377 1.00 42.43 C ATOM 0 H THR A 13 33.755 -5.312 13.514 1.00 55.13 H new ATOM 0 HA THR A 13 33.520 -4.470 16.328 1.00 42.03 H new ATOM 0 HB THR A 13 35.473 -6.551 15.369 1.00 41.15 H new ATOM 0 HG1 THR A 13 33.781 -8.145 15.668 1.00 5.05 H new ATOM 0 HG21 THR A 13 35.033 -7.502 17.601 1.00 42.43 H new ATOM 0 HG22 THR A 13 35.548 -5.802 17.701 1.00 42.43 H new ATOM 0 HG23 THR A 13 33.832 -6.225 17.904 1.00 42.43 H new ATOM 183 N ASN A 14 35.474 -2.952 16.165 1.00 13.14 N ATOM 184 CA ASN A 14 36.628 -2.062 16.132 1.00 44.24 C ATOM 185 C ASN A 14 37.585 -2.367 17.281 1.00 75.34 C ATOM 186 O ASN A 14 37.294 -2.071 18.439 1.00 14.14 O ATOM 187 CB ASN A 14 36.176 -0.602 16.205 1.00 74.14 C ATOM 188 CG ASN A 14 35.409 -0.172 14.969 1.00 73.21 C ATOM 189 OD1 ASN A 14 34.199 -0.381 14.871 1.00 4.15 O ATOM 190 ND2 ASN A 14 36.111 0.432 14.017 1.00 30.42 N ATOM 0 H ASN A 14 34.746 -2.673 16.822 1.00 13.14 H new ATOM 0 HA ASN A 14 37.154 -2.226 15.191 1.00 44.24 H new ATOM 0 HB2 ASN A 14 35.549 -0.462 17.085 1.00 74.14 H new ATOM 0 HB3 ASN A 14 37.048 0.040 16.330 1.00 74.14 H new ATOM 0 HD21 ASN A 14 35.649 0.743 13.162 1.00 30.42 H new ATOM 0 HD22 ASN A 14 37.112 0.585 14.140 1.00 30.42 H new ATOM 197 N SER A 15 38.727 -2.961 16.951 1.00 71.34 N ATOM 198 CA SER A 15 39.725 -3.310 17.955 1.00 61.12 C ATOM 199 C SER A 15 40.939 -3.971 17.308 1.00 55.01 C ATOM 200 O SER A 15 41.055 -4.021 16.083 1.00 54.32 O ATOM 201 CB SER A 15 39.119 -4.245 19.003 1.00 23.22 C ATOM 202 OG SER A 15 39.364 -3.767 20.315 1.00 74.33 O ATOM 0 H SER A 15 38.984 -3.211 15.996 1.00 71.34 H new ATOM 0 HA SER A 15 40.051 -2.391 18.443 1.00 61.12 H new ATOM 0 HB2 SER A 15 38.045 -4.333 18.839 1.00 23.22 H new ATOM 0 HB3 SER A 15 39.541 -5.244 18.892 1.00 23.22 H new ATOM 0 HG SER A 15 38.965 -4.381 20.967 1.00 74.33 H new ATOM 208 N THR A 16 41.842 -4.478 18.140 1.00 23.45 N ATOM 209 CA THR A 16 43.048 -5.135 17.652 1.00 70.32 C ATOM 210 C THR A 16 42.940 -6.650 17.783 1.00 24.22 C ATOM 211 O THR A 16 42.224 -7.159 18.645 1.00 74.42 O ATOM 212 CB THR A 16 44.298 -4.653 18.412 1.00 51.01 C ATOM 213 OG1 THR A 16 44.320 -5.218 19.727 1.00 30.53 O ATOM 214 CG2 THR A 16 44.321 -3.135 18.507 1.00 44.14 C ATOM 0 H THR A 16 41.761 -4.446 19.156 1.00 23.45 H new ATOM 0 HA THR A 16 43.148 -4.870 16.599 1.00 70.32 H new ATOM 0 HB THR A 16 45.180 -4.981 17.861 1.00 51.01 H new ATOM 0 HG1 THR A 16 45.119 -4.908 20.203 1.00 30.53 H new ATOM 0 HG21 THR A 16 45.213 -2.818 19.048 1.00 44.14 H new ATOM 0 HG22 THR A 16 44.334 -2.708 17.504 1.00 44.14 H new ATOM 0 HG23 THR A 16 43.433 -2.790 19.037 1.00 44.14 H new ATOM 222 N VAL A 17 43.658 -7.367 16.923 1.00 11.45 N ATOM 223 CA VAL A 17 43.644 -8.824 16.945 1.00 63.42 C ATOM 224 C VAL A 17 45.054 -9.389 16.814 1.00 24.02 C ATOM 225 O VAL A 17 45.940 -8.749 16.248 1.00 61.43 O ATOM 226 CB VAL A 17 42.768 -9.394 15.813 1.00 21.25 C ATOM 227 CG1 VAL A 17 43.409 -9.135 14.459 1.00 44.51 C ATOM 228 CG2 VAL A 17 42.529 -10.882 16.023 1.00 1.21 C ATOM 0 H VAL A 17 44.256 -6.962 16.203 1.00 11.45 H new ATOM 0 HA VAL A 17 43.224 -9.122 17.905 1.00 63.42 H new ATOM 0 HB VAL A 17 41.803 -8.887 15.834 1.00 21.25 H new ATOM 0 HG11 VAL A 17 42.776 -9.545 13.672 1.00 44.51 H new ATOM 0 HG12 VAL A 17 43.524 -8.061 14.310 1.00 44.51 H new ATOM 0 HG13 VAL A 17 44.388 -9.613 14.423 1.00 44.51 H new ATOM 0 HG21 VAL A 17 41.908 -11.269 15.214 1.00 1.21 H new ATOM 0 HG22 VAL A 17 43.484 -11.407 16.030 1.00 1.21 H new ATOM 0 HG23 VAL A 17 42.023 -11.038 16.975 1.00 1.21 H new ATOM 238 N ALA A 18 45.255 -10.592 17.342 1.00 63.11 N ATOM 239 CA ALA A 18 46.557 -11.245 17.282 1.00 3.31 C ATOM 240 C ALA A 18 46.890 -11.676 15.858 1.00 21.40 C ATOM 241 O ALA A 18 46.002 -11.814 15.016 1.00 23.22 O ATOM 242 CB ALA A 18 46.591 -12.442 18.220 1.00 20.13 C ATOM 0 H ALA A 18 44.533 -11.134 17.816 1.00 63.11 H new ATOM 0 HA ALA A 18 47.311 -10.526 17.601 1.00 3.31 H new ATOM 0 HB1 ALA A 18 47.569 -12.920 18.165 1.00 20.13 H new ATOM 0 HB2 ALA A 18 46.407 -12.109 19.241 1.00 20.13 H new ATOM 0 HB3 ALA A 18 45.821 -13.156 17.927 1.00 20.13 H new ATOM 248 N LYS A 19 48.175 -11.888 15.594 1.00 70.30 N ATOM 249 CA LYS A 19 48.626 -12.305 14.272 1.00 63.14 C ATOM 250 C LYS A 19 47.846 -13.524 13.790 1.00 64.31 C ATOM 251 O LYS A 19 47.743 -14.526 14.497 1.00 54.23 O ATOM 252 CB LYS A 19 50.123 -12.621 14.297 1.00 23.53 C ATOM 253 CG LYS A 19 50.701 -12.942 12.930 1.00 72.24 C ATOM 254 CD LYS A 19 52.219 -12.988 12.962 1.00 2.21 C ATOM 255 CE LYS A 19 52.782 -13.685 11.733 1.00 24.13 C ATOM 256 NZ LYS A 19 53.413 -12.722 10.789 1.00 51.31 N ATOM 0 H LYS A 19 48.923 -11.778 16.279 1.00 70.30 H new ATOM 0 HA LYS A 19 48.446 -11.483 13.579 1.00 63.14 H new ATOM 0 HB2 LYS A 19 50.658 -11.770 14.717 1.00 23.53 H new ATOM 0 HB3 LYS A 19 50.296 -13.467 14.963 1.00 23.53 H new ATOM 0 HG2 LYS A 19 50.314 -13.902 12.587 1.00 72.24 H new ATOM 0 HG3 LYS A 19 50.374 -12.191 12.211 1.00 72.24 H new ATOM 0 HD2 LYS A 19 52.614 -11.974 13.019 1.00 2.21 H new ATOM 0 HD3 LYS A 19 52.549 -13.509 13.860 1.00 2.21 H new ATOM 0 HE2 LYS A 19 53.519 -14.426 12.042 1.00 24.13 H new ATOM 0 HE3 LYS A 19 51.983 -14.223 11.223 1.00 24.13 H new ATOM 0 HZ1 LYS A 19 53.784 -13.236 9.965 1.00 51.31 H new ATOM 0 HZ2 LYS A 19 52.704 -12.029 10.474 1.00 51.31 H new ATOM 0 HZ3 LYS A 19 54.192 -12.227 11.268 1.00 51.31 H new ATOM 270 N GLY A 20 47.301 -13.432 12.581 1.00 74.52 N ATOM 271 CA GLY A 20 46.539 -14.536 12.025 1.00 14.52 C ATOM 272 C GLY A 20 45.235 -14.769 12.762 1.00 11.04 C ATOM 273 O GLY A 20 45.200 -15.478 13.769 1.00 64.21 O ATOM 0 H GLY A 20 47.373 -12.614 11.977 1.00 74.52 H new ATOM 0 HA2 GLY A 20 46.328 -14.336 10.975 1.00 14.52 H new ATOM 0 HA3 GLY A 20 47.141 -15.444 12.062 1.00 14.52 H new ATOM 277 N LEU A 21 44.159 -14.170 12.263 1.00 64.43 N ATOM 278 CA LEU A 21 42.846 -14.315 12.882 1.00 63.24 C ATOM 279 C LEU A 21 41.739 -13.923 11.908 1.00 3.33 C ATOM 280 O LEU A 21 41.954 -13.120 11.001 1.00 44.40 O ATOM 281 CB LEU A 21 42.759 -13.457 14.145 1.00 55.13 C ATOM 282 CG LEU A 21 42.502 -14.209 15.451 1.00 24.20 C ATOM 283 CD1 LEU A 21 43.616 -13.937 16.451 1.00 73.33 C ATOM 284 CD2 LEU A 21 41.152 -13.820 16.035 1.00 41.12 C ATOM 0 H LEU A 21 44.170 -13.579 11.431 1.00 64.43 H new ATOM 0 HA LEU A 21 42.712 -15.362 13.152 1.00 63.24 H new ATOM 0 HB2 LEU A 21 43.691 -12.901 14.247 1.00 55.13 H new ATOM 0 HB3 LEU A 21 41.963 -12.724 14.008 1.00 55.13 H new ATOM 0 HG LEU A 21 42.487 -15.277 15.236 1.00 24.20 H new ATOM 0 HD11 LEU A 21 43.416 -14.480 17.375 1.00 73.33 H new ATOM 0 HD12 LEU A 21 44.568 -14.267 16.034 1.00 73.33 H new ATOM 0 HD13 LEU A 21 43.663 -12.869 16.662 1.00 73.33 H new ATOM 0 HD21 LEU A 21 40.987 -14.365 16.964 1.00 41.12 H new ATOM 0 HD22 LEU A 21 41.137 -12.749 16.236 1.00 41.12 H new ATOM 0 HD23 LEU A 21 40.363 -14.067 15.324 1.00 41.12 H new ATOM 296 N GLN A 22 40.555 -14.493 12.106 1.00 62.24 N ATOM 297 CA GLN A 22 39.414 -14.201 11.246 1.00 64.22 C ATOM 298 C GLN A 22 38.228 -13.704 12.065 1.00 3.24 C ATOM 299 O GLN A 22 38.027 -14.128 13.203 1.00 74.55 O ATOM 300 CB GLN A 22 39.015 -15.446 10.452 1.00 31.54 C ATOM 301 CG GLN A 22 40.201 -16.234 9.918 1.00 15.22 C ATOM 302 CD GLN A 22 40.430 -17.527 10.674 1.00 24.54 C ATOM 303 OE1 GLN A 22 39.663 -18.482 10.543 1.00 44.24 O ATOM 304 NE2 GLN A 22 41.491 -17.566 11.473 1.00 72.52 N ATOM 0 H GLN A 22 40.361 -15.159 12.854 1.00 62.24 H new ATOM 0 HA GLN A 22 39.707 -13.414 10.551 1.00 64.22 H new ATOM 0 HB2 GLN A 22 38.415 -16.096 11.089 1.00 31.54 H new ATOM 0 HB3 GLN A 22 38.383 -15.146 9.616 1.00 31.54 H new ATOM 0 HG2 GLN A 22 40.039 -16.458 8.864 1.00 15.22 H new ATOM 0 HG3 GLN A 22 41.098 -15.618 9.979 1.00 15.22 H new ATOM 0 HE21 GLN A 22 42.100 -16.752 11.552 1.00 72.52 H new ATOM 0 HE22 GLN A 22 41.696 -18.410 12.007 1.00 72.52 H new ATOM 313 N GLU A 23 37.447 -12.801 11.480 1.00 62.43 N ATOM 314 CA GLU A 23 36.282 -12.246 12.158 1.00 52.15 C ATOM 315 C GLU A 23 35.059 -12.270 11.245 1.00 32.22 C ATOM 316 O GLU A 23 35.043 -11.631 10.194 1.00 32.31 O ATOM 317 CB GLU A 23 36.564 -10.812 12.612 1.00 31.44 C ATOM 318 CG GLU A 23 35.806 -10.412 13.867 1.00 41.30 C ATOM 319 CD GLU A 23 36.633 -10.581 15.127 1.00 74.21 C ATOM 320 OE1 GLU A 23 36.997 -11.732 15.448 1.00 41.52 O ATOM 321 OE2 GLU A 23 36.915 -9.562 15.792 1.00 61.41 O ATOM 0 H GLU A 23 37.600 -12.439 10.539 1.00 62.43 H new ATOM 0 HA GLU A 23 36.074 -12.863 13.032 1.00 52.15 H new ATOM 0 HB2 GLU A 23 37.633 -10.700 12.792 1.00 31.44 H new ATOM 0 HB3 GLU A 23 36.303 -10.126 11.806 1.00 31.44 H new ATOM 0 HG2 GLU A 23 35.491 -9.372 13.781 1.00 41.30 H new ATOM 0 HG3 GLU A 23 34.901 -11.014 13.948 1.00 41.30 H new ATOM 328 N ASN A 24 34.036 -13.013 11.656 1.00 63.32 N ATOM 329 CA ASN A 24 32.809 -13.123 10.876 1.00 50.34 C ATOM 330 C ASN A 24 31.998 -11.832 10.953 1.00 64.51 C ATOM 331 O ASN A 24 31.919 -11.199 12.005 1.00 1.45 O ATOM 332 CB ASN A 24 31.966 -14.298 11.374 1.00 62.30 C ATOM 333 CG ASN A 24 31.831 -14.314 12.884 1.00 0.54 C ATOM 334 OD1 ASN A 24 31.067 -13.537 13.458 1.00 20.22 O ATOM 335 ND2 ASN A 24 32.575 -15.200 13.536 1.00 51.11 N ATOM 0 H ASN A 24 34.033 -13.548 12.525 1.00 63.32 H new ATOM 0 HA ASN A 24 33.084 -13.298 9.836 1.00 50.34 H new ATOM 0 HB2 ASN A 24 30.975 -14.247 10.924 1.00 62.30 H new ATOM 0 HB3 ASN A 24 32.419 -15.233 11.043 1.00 62.30 H new ATOM 0 HD21 ASN A 24 32.527 -15.256 14.553 1.00 51.11 H new ATOM 0 HD22 ASN A 24 33.194 -15.824 13.019 1.00 51.11 H new ATOM 342 N PHE A 25 31.397 -11.450 9.831 1.00 4.43 N ATOM 343 CA PHE A 25 30.593 -10.235 9.771 1.00 12.13 C ATOM 344 C PHE A 25 29.106 -10.562 9.867 1.00 75.32 C ATOM 345 O PHE A 25 28.700 -11.714 9.706 1.00 14.51 O ATOM 346 CB PHE A 25 30.877 -9.473 8.475 1.00 74.31 C ATOM 347 CG PHE A 25 30.241 -10.094 7.264 1.00 42.03 C ATOM 348 CD1 PHE A 25 28.949 -9.758 6.894 1.00 51.21 C ATOM 349 CD2 PHE A 25 30.936 -11.014 6.495 1.00 20.13 C ATOM 350 CE1 PHE A 25 28.361 -10.327 5.780 1.00 43.24 C ATOM 351 CE2 PHE A 25 30.354 -11.586 5.380 1.00 52.11 C ATOM 352 CZ PHE A 25 29.065 -11.243 5.022 1.00 15.13 C ATOM 0 H PHE A 25 31.451 -11.964 8.952 1.00 4.43 H new ATOM 0 HA PHE A 25 30.865 -9.607 10.620 1.00 12.13 H new ATOM 0 HB2 PHE A 25 30.519 -8.449 8.579 1.00 74.31 H new ATOM 0 HB3 PHE A 25 31.955 -9.420 8.323 1.00 74.31 H new ATOM 0 HD1 PHE A 25 28.394 -9.043 7.483 1.00 51.21 H new ATOM 0 HD2 PHE A 25 31.944 -11.287 6.770 1.00 20.13 H new ATOM 0 HE1 PHE A 25 27.353 -10.056 5.503 1.00 43.24 H new ATOM 0 HE2 PHE A 25 30.907 -12.301 4.789 1.00 52.11 H new ATOM 0 HZ PHE A 25 28.608 -11.690 4.151 1.00 15.13 H new ATOM 362 N LYS A 26 28.297 -9.541 10.130 1.00 31.53 N ATOM 363 CA LYS A 26 26.854 -9.718 10.247 1.00 3.12 C ATOM 364 C LYS A 26 26.111 -8.519 9.668 1.00 52.40 C ATOM 365 O LYS A 26 26.364 -7.376 10.050 1.00 75.33 O ATOM 366 CB LYS A 26 26.461 -9.916 11.713 1.00 41.21 C ATOM 367 CG LYS A 26 26.000 -11.327 12.034 1.00 71.03 C ATOM 368 CD LYS A 26 25.588 -11.461 13.490 1.00 33.40 C ATOM 369 CE LYS A 26 25.642 -12.909 13.953 1.00 23.14 C ATOM 370 NZ LYS A 26 25.804 -13.013 15.430 1.00 25.11 N ATOM 0 H LYS A 26 28.616 -8.582 10.266 1.00 31.53 H new ATOM 0 HA LYS A 26 26.574 -10.605 9.679 1.00 3.12 H new ATOM 0 HB2 LYS A 26 27.314 -9.669 12.346 1.00 41.21 H new ATOM 0 HB3 LYS A 26 25.664 -9.216 11.964 1.00 41.21 H new ATOM 0 HG2 LYS A 26 25.160 -11.591 11.391 1.00 71.03 H new ATOM 0 HG3 LYS A 26 26.803 -12.032 11.816 1.00 71.03 H new ATOM 0 HD2 LYS A 26 26.245 -10.854 14.113 1.00 33.40 H new ATOM 0 HD3 LYS A 26 24.578 -11.073 13.621 1.00 33.40 H new ATOM 0 HE2 LYS A 26 24.729 -13.421 13.651 1.00 23.14 H new ATOM 0 HE3 LYS A 26 26.471 -13.417 13.460 1.00 23.14 H new ATOM 0 HZ1 LYS A 26 25.837 -14.015 15.706 1.00 25.11 H new ATOM 0 HZ2 LYS A 26 26.688 -12.546 15.716 1.00 25.11 H new ATOM 0 HZ3 LYS A 26 25.000 -12.550 15.901 1.00 25.11 H new ATOM 384 N ALA A 27 25.192 -8.787 8.746 1.00 42.33 N ATOM 385 CA ALA A 27 24.410 -7.730 8.117 1.00 52.31 C ATOM 386 C ALA A 27 22.953 -8.149 7.952 1.00 11.04 C ATOM 387 O ALA A 27 22.661 -9.252 7.488 1.00 5.14 O ATOM 388 CB ALA A 27 25.010 -7.360 6.769 1.00 40.43 C ATOM 0 H ALA A 27 24.971 -9.727 8.418 1.00 42.33 H new ATOM 0 HA ALA A 27 24.438 -6.856 8.767 1.00 52.31 H new ATOM 0 HB1 ALA A 27 24.416 -6.569 6.311 1.00 40.43 H new ATOM 0 HB2 ALA A 27 26.033 -7.010 6.910 1.00 40.43 H new ATOM 0 HB3 ALA A 27 25.012 -8.235 6.119 1.00 40.43 H new ATOM 394 N THR A 28 22.040 -7.262 8.336 1.00 34.42 N ATOM 395 CA THR A 28 20.613 -7.541 8.233 1.00 31.20 C ATOM 396 C THR A 28 19.938 -6.595 7.247 1.00 14.32 C ATOM 397 O THR A 28 19.922 -5.381 7.448 1.00 34.14 O ATOM 398 CB THR A 28 19.917 -7.421 9.602 1.00 75.13 C ATOM 399 OG1 THR A 28 20.540 -6.394 10.380 1.00 4.13 O ATOM 400 CG2 THR A 28 19.974 -8.741 10.356 1.00 75.25 C ATOM 0 H THR A 28 22.264 -6.344 8.721 1.00 34.42 H new ATOM 0 HA THR A 28 20.516 -8.565 7.873 1.00 31.20 H new ATOM 0 HB THR A 28 18.872 -7.163 9.432 1.00 75.13 H new ATOM 0 HG1 THR A 28 20.091 -6.323 11.248 1.00 4.13 H new ATOM 0 HG21 THR A 28 19.476 -8.631 11.319 1.00 75.25 H new ATOM 0 HG22 THR A 28 19.472 -9.514 9.774 1.00 75.25 H new ATOM 0 HG23 THR A 28 21.014 -9.024 10.515 1.00 75.25 H new ATOM 408 N GLY A 29 19.380 -7.158 6.180 1.00 75.30 N ATOM 409 CA GLY A 29 18.710 -6.349 5.179 1.00 75.22 C ATOM 410 C GLY A 29 17.262 -6.072 5.531 1.00 14.25 C ATOM 411 O GLY A 29 16.500 -6.994 5.827 1.00 44.44 O ATOM 0 H GLY A 29 19.380 -8.160 5.991 1.00 75.30 H new ATOM 0 HA2 GLY A 29 19.240 -5.403 5.066 1.00 75.22 H new ATOM 0 HA3 GLY A 29 18.756 -6.857 4.216 1.00 75.22 H new ATOM 415 N ILE A 30 16.881 -4.799 5.503 1.00 72.22 N ATOM 416 CA ILE A 30 15.515 -4.404 5.823 1.00 52.24 C ATOM 417 C ILE A 30 14.925 -3.526 4.724 1.00 70.11 C ATOM 418 O ILE A 30 15.318 -2.371 4.559 1.00 61.10 O ATOM 419 CB ILE A 30 15.447 -3.646 7.162 1.00 50.35 C ATOM 420 CG1 ILE A 30 16.266 -4.376 8.228 1.00 13.01 C ATOM 421 CG2 ILE A 30 14.001 -3.491 7.610 1.00 44.43 C ATOM 422 CD1 ILE A 30 16.260 -3.684 9.573 1.00 1.11 C ATOM 0 H ILE A 30 17.499 -4.024 5.262 1.00 72.22 H new ATOM 0 HA ILE A 30 14.932 -5.321 5.904 1.00 52.24 H new ATOM 0 HB ILE A 30 15.872 -2.652 7.022 1.00 50.35 H new ATOM 0 HG12 ILE A 30 15.875 -5.386 8.347 1.00 13.01 H new ATOM 0 HG13 ILE A 30 17.295 -4.471 7.882 1.00 13.01 H new ATOM 0 HG21 ILE A 30 13.969 -2.953 8.558 1.00 44.43 H new ATOM 0 HG22 ILE A 30 13.445 -2.932 6.857 1.00 44.43 H new ATOM 0 HG23 ILE A 30 13.552 -4.476 7.736 1.00 44.43 H new ATOM 0 HD11 ILE A 30 16.860 -4.257 10.280 1.00 1.11 H new ATOM 0 HD12 ILE A 30 16.679 -2.683 9.469 1.00 1.11 H new ATOM 0 HD13 ILE A 30 15.236 -3.613 9.941 1.00 1.11 H new ATOM 434 N PHE A 31 13.978 -4.081 3.975 1.00 33.33 N ATOM 435 CA PHE A 31 13.332 -3.349 2.892 1.00 0.01 C ATOM 436 C PHE A 31 11.833 -3.213 3.145 1.00 24.11 C ATOM 437 O PHE A 31 11.211 -4.088 3.748 1.00 24.24 O ATOM 438 CB PHE A 31 13.573 -4.055 1.556 1.00 3.21 C ATOM 439 CG PHE A 31 14.963 -4.606 1.412 1.00 40.24 C ATOM 440 CD1 PHE A 31 16.064 -3.851 1.783 1.00 51.32 C ATOM 441 CD2 PHE A 31 15.169 -5.879 0.905 1.00 15.02 C ATOM 442 CE1 PHE A 31 17.344 -4.355 1.650 1.00 33.21 C ATOM 443 CE2 PHE A 31 16.446 -6.389 0.771 1.00 62.05 C ATOM 444 CZ PHE A 31 17.535 -5.626 1.145 1.00 61.35 C ATOM 0 H PHE A 31 13.641 -5.036 4.098 1.00 33.33 H new ATOM 0 HA PHE A 31 13.768 -2.351 2.852 1.00 0.01 H new ATOM 0 HB2 PHE A 31 12.855 -4.868 1.449 1.00 3.21 H new ATOM 0 HB3 PHE A 31 13.383 -3.353 0.744 1.00 3.21 H new ATOM 0 HD1 PHE A 31 15.920 -2.857 2.181 1.00 51.32 H new ATOM 0 HD2 PHE A 31 14.321 -6.480 0.611 1.00 15.02 H new ATOM 0 HE1 PHE A 31 18.194 -3.755 1.941 1.00 33.21 H new ATOM 0 HE2 PHE A 31 16.593 -7.383 0.374 1.00 62.05 H new ATOM 0 HZ PHE A 31 18.534 -6.023 1.043 1.00 61.35 H new ATOM 454 N THR A 32 11.258 -2.108 2.680 1.00 64.43 N ATOM 455 CA THR A 32 9.834 -1.856 2.856 1.00 0.42 C ATOM 456 C THR A 32 8.996 -2.847 2.057 1.00 25.41 C ATOM 457 O THR A 32 7.788 -2.963 2.264 1.00 4.15 O ATOM 458 CB THR A 32 9.460 -0.424 2.429 1.00 43.25 C ATOM 459 OG1 THR A 32 10.397 0.511 2.975 1.00 0.14 O ATOM 460 CG2 THR A 32 8.055 -0.070 2.891 1.00 72.42 C ATOM 0 H THR A 32 11.757 -1.373 2.179 1.00 64.43 H new ATOM 0 HA THR A 32 9.621 -1.979 3.918 1.00 0.42 H new ATOM 0 HB THR A 32 9.490 -0.374 1.341 1.00 43.25 H new ATOM 0 HG1 THR A 32 10.153 1.419 2.697 1.00 0.14 H new ATOM 0 HG21 THR A 32 7.814 0.946 2.578 1.00 72.42 H new ATOM 0 HG22 THR A 32 7.341 -0.765 2.449 1.00 72.42 H new ATOM 0 HG23 THR A 32 8.002 -0.137 3.978 1.00 72.42 H new ATOM 468 N ASP A 33 9.645 -3.562 1.144 1.00 2.50 N ATOM 469 CA ASP A 33 8.960 -4.546 0.314 1.00 12.34 C ATOM 470 C ASP A 33 8.735 -5.844 1.084 1.00 4.52 C ATOM 471 O ASP A 33 8.156 -6.794 0.561 1.00 30.43 O ATOM 472 CB ASP A 33 9.766 -4.824 -0.955 1.00 71.12 C ATOM 473 CG ASP A 33 9.055 -5.778 -1.895 1.00 21.22 C ATOM 474 OD1 ASP A 33 7.941 -5.443 -2.351 1.00 25.14 O ATOM 475 OD2 ASP A 33 9.613 -6.860 -2.175 1.00 54.30 O ATOM 0 H ASP A 33 10.645 -3.478 0.960 1.00 2.50 H new ATOM 0 HA ASP A 33 7.989 -4.137 0.035 1.00 12.34 H new ATOM 0 HB2 ASP A 33 9.959 -3.884 -1.473 1.00 71.12 H new ATOM 0 HB3 ASP A 33 10.735 -5.242 -0.682 1.00 71.12 H new ATOM 480 N ASN A 34 9.200 -5.875 2.329 1.00 14.12 N ATOM 481 CA ASN A 34 9.051 -7.057 3.171 1.00 41.33 C ATOM 482 C ASN A 34 9.651 -8.285 2.494 1.00 71.42 C ATOM 483 O ASN A 34 9.245 -9.416 2.764 1.00 50.34 O ATOM 484 CB ASN A 34 7.574 -7.303 3.484 1.00 72.24 C ATOM 485 CG ASN A 34 6.795 -6.013 3.650 1.00 51.30 C ATOM 486 OD1 ASN A 34 5.927 -5.690 2.839 1.00 13.31 O ATOM 487 ND2 ASN A 34 7.103 -5.268 4.705 1.00 2.41 N ATOM 0 H ASN A 34 9.683 -5.096 2.777 1.00 14.12 H new ATOM 0 HA ASN A 34 9.588 -6.879 4.103 1.00 41.33 H new ATOM 0 HB2 ASN A 34 7.129 -7.892 2.682 1.00 72.24 H new ATOM 0 HB3 ASN A 34 7.492 -7.893 4.397 1.00 72.24 H new ATOM 0 HD21 ASN A 34 6.613 -4.389 4.869 1.00 2.41 H new ATOM 0 HD22 ASN A 34 7.830 -5.575 5.351 1.00 2.41 H new ATOM 494 N SER A 35 10.620 -8.055 1.614 1.00 70.44 N ATOM 495 CA SER A 35 11.274 -9.143 0.895 1.00 1.13 C ATOM 496 C SER A 35 12.792 -9.009 0.972 1.00 50.33 C ATOM 497 O SER A 35 13.430 -8.517 0.042 1.00 50.01 O ATOM 498 CB SER A 35 10.825 -9.159 -0.567 1.00 62.11 C ATOM 499 OG SER A 35 11.463 -10.201 -1.285 1.00 23.11 O ATOM 0 H SER A 35 10.970 -7.125 1.381 1.00 70.44 H new ATOM 0 HA SER A 35 10.985 -10.083 1.366 1.00 1.13 H new ATOM 0 HB2 SER A 35 9.744 -9.288 -0.617 1.00 62.11 H new ATOM 0 HB3 SER A 35 11.054 -8.200 -1.032 1.00 62.11 H new ATOM 0 HG SER A 35 11.158 -10.191 -2.216 1.00 23.11 H new ATOM 505 N ASN A 36 13.363 -9.450 2.088 1.00 63.24 N ATOM 506 CA ASN A 36 14.806 -9.379 2.287 1.00 22.42 C ATOM 507 C ASN A 36 15.363 -10.733 2.717 1.00 61.32 C ATOM 508 O ASN A 36 14.652 -11.552 3.299 1.00 11.03 O ATOM 509 CB ASN A 36 15.145 -8.319 3.337 1.00 24.41 C ATOM 510 CG ASN A 36 14.530 -8.627 4.689 1.00 52.44 C ATOM 511 OD1 ASN A 36 15.087 -9.389 5.478 1.00 22.22 O ATOM 512 ND2 ASN A 36 13.374 -8.032 4.961 1.00 72.53 N ATOM 0 H ASN A 36 12.849 -9.860 2.868 1.00 63.24 H new ATOM 0 HA ASN A 36 15.266 -9.102 1.338 1.00 22.42 H new ATOM 0 HB2 ASN A 36 16.228 -8.248 3.441 1.00 24.41 H new ATOM 0 HB3 ASN A 36 14.793 -7.346 2.994 1.00 24.41 H new ATOM 0 HD21 ASN A 36 12.912 -8.200 5.855 1.00 72.53 H new ATOM 0 HD22 ASN A 36 12.948 -7.407 4.276 1.00 72.53 H new ATOM 519 N SER A 37 16.640 -10.961 2.426 1.00 72.44 N ATOM 520 CA SER A 37 17.292 -12.217 2.779 1.00 52.14 C ATOM 521 C SER A 37 18.631 -11.960 3.462 1.00 4.02 C ATOM 522 O SER A 37 19.162 -10.850 3.415 1.00 62.23 O ATOM 523 CB SER A 37 17.500 -13.077 1.530 1.00 0.43 C ATOM 524 OG SER A 37 16.579 -14.153 1.493 1.00 40.11 O ATOM 0 H SER A 37 17.243 -10.293 1.947 1.00 72.44 H new ATOM 0 HA SER A 37 16.645 -12.751 3.475 1.00 52.14 H new ATOM 0 HB2 SER A 37 17.382 -12.462 0.638 1.00 0.43 H new ATOM 0 HB3 SER A 37 18.518 -13.465 1.517 1.00 0.43 H new ATOM 0 HG SER A 37 16.731 -14.686 0.685 1.00 40.11 H new ATOM 530 N ASP A 38 19.172 -12.994 4.097 1.00 10.24 N ATOM 531 CA ASP A 38 20.450 -12.882 4.791 1.00 41.04 C ATOM 532 C ASP A 38 21.567 -12.524 3.816 1.00 45.23 C ATOM 533 O ASP A 38 22.022 -13.366 3.041 1.00 24.23 O ATOM 534 CB ASP A 38 20.782 -14.192 5.507 1.00 2.33 C ATOM 535 CG ASP A 38 19.986 -14.370 6.785 1.00 70.50 C ATOM 536 OD1 ASP A 38 19.517 -13.354 7.338 1.00 31.23 O ATOM 537 OD2 ASP A 38 19.833 -15.527 7.232 1.00 13.41 O ATOM 0 H ASP A 38 18.746 -13.919 4.146 1.00 10.24 H new ATOM 0 HA ASP A 38 20.366 -12.085 5.529 1.00 41.04 H new ATOM 0 HB2 ASP A 38 20.582 -15.029 4.838 1.00 2.33 H new ATOM 0 HB3 ASP A 38 21.847 -14.216 5.739 1.00 2.33 H new ATOM 542 N ILE A 39 22.004 -11.270 3.859 1.00 51.50 N ATOM 543 CA ILE A 39 23.068 -10.801 2.980 1.00 55.54 C ATOM 544 C ILE A 39 22.634 -10.849 1.518 1.00 22.33 C ATOM 545 O ILE A 39 23.446 -11.094 0.626 1.00 64.34 O ATOM 546 CB ILE A 39 24.350 -11.636 3.151 1.00 34.54 C ATOM 547 CG1 ILE A 39 24.575 -11.967 4.628 1.00 1.32 C ATOM 548 CG2 ILE A 39 25.547 -10.892 2.580 1.00 25.44 C ATOM 549 CD1 ILE A 39 24.664 -10.744 5.514 1.00 3.21 C ATOM 0 H ILE A 39 21.638 -10.560 4.493 1.00 51.50 H new ATOM 0 HA ILE A 39 23.277 -9.769 3.261 1.00 55.54 H new ATOM 0 HB ILE A 39 24.234 -12.571 2.602 1.00 34.54 H new ATOM 0 HG12 ILE A 39 23.760 -12.601 4.978 1.00 1.32 H new ATOM 0 HG13 ILE A 39 25.494 -12.545 4.727 1.00 1.32 H new ATOM 0 HG21 ILE A 39 26.446 -11.495 2.709 1.00 25.44 H new ATOM 0 HG22 ILE A 39 25.386 -10.703 1.519 1.00 25.44 H new ATOM 0 HG23 ILE A 39 25.669 -9.943 3.103 1.00 25.44 H new ATOM 0 HD11 ILE A 39 24.824 -11.054 6.547 1.00 3.21 H new ATOM 0 HD12 ILE A 39 25.496 -10.119 5.190 1.00 3.21 H new ATOM 0 HD13 ILE A 39 23.736 -10.176 5.445 1.00 3.21 H new ATOM 561 N THR A 40 21.348 -10.612 1.280 1.00 71.52 N ATOM 562 CA THR A 40 20.806 -10.628 -0.073 1.00 31.51 C ATOM 563 C THR A 40 21.475 -9.573 -0.946 1.00 22.30 C ATOM 564 O THR A 40 21.644 -9.766 -2.150 1.00 71.22 O ATOM 565 CB THR A 40 19.284 -10.387 -0.071 1.00 65.44 C ATOM 566 OG1 THR A 40 18.740 -10.683 -1.363 1.00 3.25 O ATOM 567 CG2 THR A 40 18.965 -8.948 0.302 1.00 42.42 C ATOM 0 H THR A 40 20.662 -10.407 2.007 1.00 71.52 H new ATOM 0 HA THR A 40 21.010 -11.617 -0.483 1.00 31.51 H new ATOM 0 HB THR A 40 18.834 -11.046 0.672 1.00 65.44 H new ATOM 0 HG1 THR A 40 17.772 -10.529 -1.354 1.00 3.25 H new ATOM 0 HG21 THR A 40 17.885 -8.802 0.297 1.00 42.42 H new ATOM 0 HG22 THR A 40 19.355 -8.735 1.297 1.00 42.42 H new ATOM 0 HG23 THR A 40 19.426 -8.274 -0.420 1.00 42.42 H new ATOM 575 N ASP A 41 21.855 -8.458 -0.332 1.00 23.42 N ATOM 576 CA ASP A 41 22.509 -7.373 -1.053 1.00 54.54 C ATOM 577 C ASP A 41 23.994 -7.662 -1.242 1.00 64.12 C ATOM 578 O ASP A 41 24.732 -6.840 -1.784 1.00 41.43 O ATOM 579 CB ASP A 41 22.325 -6.051 -0.305 1.00 72.32 C ATOM 580 CG ASP A 41 22.179 -4.870 -1.244 1.00 3.32 C ATOM 581 OD1 ASP A 41 22.679 -4.954 -2.385 1.00 2.01 O ATOM 582 OD2 ASP A 41 21.566 -3.860 -0.837 1.00 62.31 O ATOM 0 H ASP A 41 21.721 -8.282 0.664 1.00 23.42 H new ATOM 0 HA ASP A 41 22.046 -7.293 -2.036 1.00 54.54 H new ATOM 0 HB2 ASP A 41 21.442 -6.117 0.331 1.00 72.32 H new ATOM 0 HB3 ASP A 41 23.180 -5.886 0.351 1.00 72.32 H new ATOM 587 N GLN A 42 24.426 -8.835 -0.790 1.00 75.34 N ATOM 588 CA GLN A 42 25.824 -9.232 -0.908 1.00 53.24 C ATOM 589 C GLN A 42 26.745 -8.148 -0.358 1.00 21.33 C ATOM 590 O GLN A 42 27.323 -7.367 -1.114 1.00 30.24 O ATOM 591 CB GLN A 42 26.172 -9.520 -2.370 1.00 24.25 C ATOM 592 CG GLN A 42 27.421 -10.370 -2.541 1.00 22.03 C ATOM 593 CD GLN A 42 27.990 -10.296 -3.944 1.00 74.21 C ATOM 594 OE1 GLN A 42 29.063 -9.734 -4.163 1.00 21.12 O ATOM 595 NE2 GLN A 42 27.271 -10.865 -4.905 1.00 31.32 N ATOM 0 H GLN A 42 23.828 -9.527 -0.339 1.00 75.34 H new ATOM 0 HA GLN A 42 25.969 -10.139 -0.322 1.00 53.24 H new ATOM 0 HB2 GLN A 42 25.330 -10.026 -2.842 1.00 24.25 H new ATOM 0 HB3 GLN A 42 26.311 -8.575 -2.895 1.00 24.25 H new ATOM 0 HG2 GLN A 42 28.178 -10.044 -1.828 1.00 22.03 H new ATOM 0 HG3 GLN A 42 27.185 -11.407 -2.303 1.00 22.03 H new ATOM 0 HE21 GLN A 42 26.387 -11.320 -4.679 1.00 31.32 H new ATOM 0 HE22 GLN A 42 27.603 -10.847 -5.869 1.00 31.32 H new ATOM 604 N VAL A 43 26.877 -8.107 0.964 1.00 4.43 N ATOM 605 CA VAL A 43 27.729 -7.119 1.617 1.00 62.34 C ATOM 606 C VAL A 43 29.128 -7.114 1.011 1.00 61.33 C ATOM 607 O VAL A 43 29.819 -8.134 1.005 1.00 74.13 O ATOM 608 CB VAL A 43 27.838 -7.384 3.130 1.00 61.20 C ATOM 609 CG1 VAL A 43 28.601 -6.261 3.815 1.00 14.44 C ATOM 610 CG2 VAL A 43 26.456 -7.552 3.742 1.00 74.21 C ATOM 0 H VAL A 43 26.405 -8.746 1.604 1.00 4.43 H new ATOM 0 HA VAL A 43 27.264 -6.146 1.459 1.00 62.34 H new ATOM 0 HB VAL A 43 28.392 -8.311 3.280 1.00 61.20 H new ATOM 0 HG11 VAL A 43 28.668 -6.466 4.884 1.00 14.44 H new ATOM 0 HG12 VAL A 43 29.605 -6.194 3.395 1.00 14.44 H new ATOM 0 HG13 VAL A 43 28.078 -5.317 3.658 1.00 14.44 H new ATOM 0 HG21 VAL A 43 26.552 -7.739 4.812 1.00 74.21 H new ATOM 0 HG22 VAL A 43 25.875 -6.644 3.583 1.00 74.21 H new ATOM 0 HG23 VAL A 43 25.949 -8.394 3.271 1.00 74.21 H new ATOM 620 N THR A 44 29.542 -5.958 0.501 1.00 62.42 N ATOM 621 CA THR A 44 30.859 -5.820 -0.109 1.00 11.24 C ATOM 622 C THR A 44 31.889 -5.345 0.910 1.00 52.52 C ATOM 623 O THR A 44 31.830 -4.209 1.382 1.00 65.13 O ATOM 624 CB THR A 44 30.830 -4.833 -1.291 1.00 14.01 C ATOM 625 OG1 THR A 44 29.498 -4.724 -1.805 1.00 14.51 O ATOM 626 CG2 THR A 44 31.770 -5.286 -2.398 1.00 31.35 C ATOM 0 H THR A 44 28.984 -5.104 0.498 1.00 62.42 H new ATOM 0 HA THR A 44 31.143 -6.806 -0.476 1.00 11.24 H new ATOM 0 HB THR A 44 31.161 -3.859 -0.931 1.00 14.01 H new ATOM 0 HG1 THR A 44 29.487 -4.093 -2.555 1.00 14.51 H new ATOM 0 HG21 THR A 44 31.732 -4.573 -3.222 1.00 31.35 H new ATOM 0 HG22 THR A 44 32.788 -5.340 -2.012 1.00 31.35 H new ATOM 0 HG23 THR A 44 31.464 -6.270 -2.755 1.00 31.35 H new ATOM 634 N TRP A 45 32.831 -6.219 1.244 1.00 75.33 N ATOM 635 CA TRP A 45 33.875 -5.888 2.207 1.00 54.43 C ATOM 636 C TRP A 45 35.209 -5.658 1.505 1.00 12.54 C ATOM 637 O TRP A 45 35.433 -6.152 0.400 1.00 11.43 O ATOM 638 CB TRP A 45 34.015 -7.004 3.243 1.00 72.13 C ATOM 639 CG TRP A 45 32.773 -7.223 4.052 1.00 14.43 C ATOM 640 CD1 TRP A 45 31.823 -8.184 3.853 1.00 11.40 C ATOM 641 CD2 TRP A 45 32.345 -6.463 5.188 1.00 41.30 C ATOM 642 NE1 TRP A 45 30.831 -8.067 4.797 1.00 52.15 N ATOM 643 CE2 TRP A 45 31.128 -7.019 5.628 1.00 61.44 C ATOM 644 CE3 TRP A 45 32.873 -5.368 5.878 1.00 52.25 C ATOM 645 CZ2 TRP A 45 30.433 -6.516 6.724 1.00 74.13 C ATOM 646 CZ3 TRP A 45 32.181 -4.869 6.965 1.00 21.30 C ATOM 647 CH2 TRP A 45 30.972 -5.444 7.380 1.00 2.51 C ATOM 0 H TRP A 45 32.894 -7.163 0.862 1.00 75.33 H new ATOM 0 HA TRP A 45 33.589 -4.966 2.714 1.00 54.43 H new ATOM 0 HB2 TRP A 45 34.277 -7.932 2.734 1.00 72.13 H new ATOM 0 HB3 TRP A 45 34.840 -6.765 3.914 1.00 72.13 H new ATOM 0 HD1 TRP A 45 31.848 -8.927 3.069 1.00 11.40 H new ATOM 0 HE1 TRP A 45 30.007 -8.664 4.868 1.00 52.15 H new ATOM 0 HE3 TRP A 45 33.805 -4.920 5.567 1.00 52.25 H new ATOM 0 HZ2 TRP A 45 29.501 -6.957 7.045 1.00 74.13 H new ATOM 0 HZ3 TRP A 45 32.578 -4.022 7.504 1.00 21.30 H new ATOM 0 HH2 TRP A 45 30.456 -5.032 8.235 1.00 2.51 H new ATOM 658 N ASP A 46 36.091 -4.905 2.154 1.00 61.40 N ATOM 659 CA ASP A 46 37.404 -4.611 1.592 1.00 23.23 C ATOM 660 C ASP A 46 38.465 -4.563 2.687 1.00 24.43 C ATOM 661 O ASP A 46 38.200 -4.116 3.803 1.00 23.21 O ATOM 662 CB ASP A 46 37.373 -3.282 0.837 1.00 43.14 C ATOM 663 CG ASP A 46 38.431 -3.207 -0.247 1.00 31.00 C ATOM 664 OD1 ASP A 46 38.198 -3.761 -1.342 1.00 3.53 O ATOM 665 OD2 ASP A 46 39.492 -2.596 0.000 1.00 13.30 O ATOM 0 H ASP A 46 35.920 -4.488 3.069 1.00 61.40 H new ATOM 0 HA ASP A 46 37.661 -5.409 0.896 1.00 23.23 H new ATOM 0 HB2 ASP A 46 36.388 -3.144 0.390 1.00 43.14 H new ATOM 0 HB3 ASP A 46 37.520 -2.464 1.542 1.00 43.14 H new ATOM 670 N SER A 47 39.667 -5.028 2.361 1.00 60.33 N ATOM 671 CA SER A 47 40.767 -5.043 3.318 1.00 70.21 C ATOM 672 C SER A 47 42.006 -4.374 2.731 1.00 25.25 C ATOM 673 O SER A 47 42.216 -4.384 1.518 1.00 34.25 O ATOM 674 CB SER A 47 41.095 -6.480 3.728 1.00 72.22 C ATOM 675 OG SER A 47 41.798 -6.512 4.958 1.00 53.11 O ATOM 0 H SER A 47 39.904 -5.399 1.441 1.00 60.33 H new ATOM 0 HA SER A 47 40.456 -4.483 4.200 1.00 70.21 H new ATOM 0 HB2 SER A 47 40.173 -7.055 3.817 1.00 72.22 H new ATOM 0 HB3 SER A 47 41.694 -6.955 2.951 1.00 72.22 H new ATOM 0 HG SER A 47 41.705 -7.399 5.365 1.00 53.11 H new ATOM 681 N SER A 48 42.826 -3.793 3.602 1.00 35.23 N ATOM 682 CA SER A 48 44.043 -3.116 3.172 1.00 51.41 C ATOM 683 C SER A 48 44.898 -4.034 2.304 1.00 53.34 C ATOM 684 O SER A 48 44.592 -5.214 2.141 1.00 31.13 O ATOM 685 CB SER A 48 44.848 -2.648 4.386 1.00 51.11 C ATOM 686 OG SER A 48 45.694 -1.562 4.049 1.00 13.14 O ATOM 0 H SER A 48 42.669 -3.778 4.610 1.00 35.23 H new ATOM 0 HA SER A 48 43.756 -2.248 2.579 1.00 51.41 H new ATOM 0 HB2 SER A 48 44.168 -2.349 5.184 1.00 51.11 H new ATOM 0 HB3 SER A 48 45.447 -3.474 4.770 1.00 51.11 H new ATOM 0 HG SER A 48 46.196 -1.280 4.842 1.00 13.14 H new ATOM 692 N ASN A 49 45.971 -3.481 1.748 1.00 62.33 N ATOM 693 CA ASN A 49 46.871 -4.249 0.895 1.00 22.40 C ATOM 694 C ASN A 49 48.328 -3.980 1.259 1.00 10.33 C ATOM 695 O ASN A 49 48.920 -2.996 0.813 1.00 30.32 O ATOM 696 CB ASN A 49 46.630 -3.906 -0.576 1.00 71.34 C ATOM 697 CG ASN A 49 47.627 -4.582 -1.498 1.00 53.55 C ATOM 698 OD1 ASN A 49 48.628 -3.983 -1.894 1.00 34.55 O ATOM 699 ND2 ASN A 49 47.356 -5.834 -1.846 1.00 63.41 N ATOM 0 H ASN A 49 46.238 -2.505 1.873 1.00 62.33 H new ATOM 0 HA ASN A 49 46.665 -5.308 1.053 1.00 22.40 H new ATOM 0 HB2 ASN A 49 45.620 -4.205 -0.855 1.00 71.34 H new ATOM 0 HB3 ASN A 49 46.691 -2.826 -0.709 1.00 71.34 H new ATOM 0 HD21 ASN A 49 47.989 -6.339 -2.466 1.00 63.41 H new ATOM 0 HD22 ASN A 49 46.515 -6.291 -1.494 1.00 63.41 H new ATOM 706 N THR A 50 48.902 -4.861 2.073 1.00 13.32 N ATOM 707 CA THR A 50 50.288 -4.718 2.498 1.00 24.33 C ATOM 708 C THR A 50 51.027 -6.049 2.419 1.00 63.35 C ATOM 709 O THR A 50 51.923 -6.224 1.592 1.00 74.52 O ATOM 710 CB THR A 50 50.382 -4.178 3.938 1.00 41.55 C ATOM 711 OG1 THR A 50 49.433 -3.123 4.127 1.00 14.43 O ATOM 712 CG2 THR A 50 51.783 -3.664 4.233 1.00 65.44 C ATOM 0 H THR A 50 48.428 -5.681 2.451 1.00 13.32 H new ATOM 0 HA THR A 50 50.754 -4.004 1.819 1.00 24.33 H new ATOM 0 HB THR A 50 50.160 -4.995 4.624 1.00 41.55 H new ATOM 0 HG1 THR A 50 49.497 -2.786 5.045 1.00 14.43 H new ATOM 0 HG21 THR A 50 51.825 -3.288 5.255 1.00 65.44 H new ATOM 0 HG22 THR A 50 52.501 -4.476 4.115 1.00 65.44 H new ATOM 0 HG23 THR A 50 52.029 -2.859 3.540 1.00 65.44 H new ATOM 720 N ASP A 51 50.647 -6.984 3.282 1.00 73.42 N ATOM 721 CA ASP A 51 51.273 -8.301 3.308 1.00 75.44 C ATOM 722 C ASP A 51 50.304 -9.373 2.818 1.00 72.15 C ATOM 723 O ASP A 51 50.574 -10.066 1.836 1.00 40.31 O ATOM 724 CB ASP A 51 51.749 -8.635 4.722 1.00 21.40 C ATOM 725 CG ASP A 51 53.103 -9.318 4.731 1.00 72.13 C ATOM 726 OD1 ASP A 51 54.005 -8.855 4.002 1.00 0.15 O ATOM 727 OD2 ASP A 51 53.260 -10.316 5.465 1.00 34.12 O ATOM 0 H ASP A 51 49.908 -6.855 3.973 1.00 73.42 H new ATOM 0 HA ASP A 51 52.133 -8.280 2.639 1.00 75.44 H new ATOM 0 HB2 ASP A 51 51.804 -7.719 5.310 1.00 21.40 H new ATOM 0 HB3 ASP A 51 51.016 -9.281 5.206 1.00 21.40 H new ATOM 732 N ILE A 52 49.176 -9.504 3.508 1.00 61.31 N ATOM 733 CA ILE A 52 48.168 -10.492 3.143 1.00 51.44 C ATOM 734 C ILE A 52 46.838 -10.199 3.830 1.00 62.53 C ATOM 735 O ILE A 52 46.755 -10.170 5.058 1.00 32.33 O ATOM 736 CB ILE A 52 48.619 -11.918 3.507 1.00 32.34 C ATOM 737 CG1 ILE A 52 47.517 -12.926 3.174 1.00 52.12 C ATOM 738 CG2 ILE A 52 48.987 -11.997 4.981 1.00 2.35 C ATOM 739 CD1 ILE A 52 47.124 -12.930 1.713 1.00 31.11 C ATOM 0 H ILE A 52 48.937 -8.939 4.323 1.00 61.31 H new ATOM 0 HA ILE A 52 48.038 -10.427 2.063 1.00 51.44 H new ATOM 0 HB ILE A 52 49.502 -12.165 2.918 1.00 32.34 H new ATOM 0 HG12 ILE A 52 47.852 -13.925 3.455 1.00 52.12 H new ATOM 0 HG13 ILE A 52 46.637 -12.703 3.778 1.00 52.12 H new ATOM 0 HG21 ILE A 52 49.304 -13.011 5.223 1.00 2.35 H new ATOM 0 HG22 ILE A 52 49.801 -11.303 5.191 1.00 2.35 H new ATOM 0 HG23 ILE A 52 48.120 -11.733 5.587 1.00 2.35 H new ATOM 0 HD11 ILE A 52 46.339 -13.668 1.549 1.00 31.11 H new ATOM 0 HD12 ILE A 52 46.758 -11.942 1.432 1.00 31.11 H new ATOM 0 HD13 ILE A 52 47.992 -13.183 1.104 1.00 31.11 H new ATOM 751 N LEU A 53 45.800 -9.985 3.029 1.00 32.34 N ATOM 752 CA LEU A 53 44.472 -9.697 3.560 1.00 73.32 C ATOM 753 C LEU A 53 43.388 -10.286 2.663 1.00 54.24 C ATOM 754 O LEU A 53 43.358 -10.031 1.459 1.00 64.24 O ATOM 755 CB LEU A 53 44.272 -8.187 3.697 1.00 41.14 C ATOM 756 CG LEU A 53 45.404 -7.419 4.380 1.00 22.54 C ATOM 757 CD1 LEU A 53 46.474 -7.035 3.371 1.00 43.33 C ATOM 758 CD2 LEU A 53 44.862 -6.183 5.083 1.00 22.31 C ATOM 0 H LEU A 53 45.852 -10.005 2.011 1.00 32.34 H new ATOM 0 HA LEU A 53 44.393 -10.158 4.545 1.00 73.32 H new ATOM 0 HB2 LEU A 53 44.125 -7.768 2.701 1.00 41.14 H new ATOM 0 HB3 LEU A 53 43.352 -8.012 4.255 1.00 41.14 H new ATOM 0 HG LEU A 53 45.857 -8.069 5.129 1.00 22.54 H new ATOM 0 HD11 LEU A 53 47.271 -6.489 3.876 1.00 43.33 H new ATOM 0 HD12 LEU A 53 46.884 -7.936 2.915 1.00 43.33 H new ATOM 0 HD13 LEU A 53 46.035 -6.404 2.598 1.00 43.33 H new ATOM 0 HD21 LEU A 53 45.682 -5.649 5.563 1.00 22.31 H new ATOM 0 HD22 LEU A 53 44.382 -5.531 4.354 1.00 22.31 H new ATOM 0 HD23 LEU A 53 44.133 -6.483 5.836 1.00 22.31 H new ATOM 770 N SER A 54 42.496 -11.072 3.258 1.00 65.22 N ATOM 771 CA SER A 54 41.411 -11.698 2.512 1.00 32.23 C ATOM 772 C SER A 54 40.105 -11.637 3.299 1.00 2.42 C ATOM 773 O SER A 54 40.094 -11.813 4.518 1.00 54.12 O ATOM 774 CB SER A 54 41.757 -13.153 2.191 1.00 64.24 C ATOM 775 OG SER A 54 41.675 -13.401 0.798 1.00 74.31 O ATOM 0 H SER A 54 42.504 -11.290 4.254 1.00 65.22 H new ATOM 0 HA SER A 54 41.280 -11.149 1.580 1.00 32.23 H new ATOM 0 HB2 SER A 54 42.763 -13.377 2.545 1.00 64.24 H new ATOM 0 HB3 SER A 54 41.076 -13.818 2.723 1.00 64.24 H new ATOM 0 HG SER A 54 41.902 -14.337 0.618 1.00 74.31 H new ATOM 781 N ILE A 55 39.008 -11.385 2.594 1.00 72.15 N ATOM 782 CA ILE A 55 37.697 -11.301 3.225 1.00 73.11 C ATOM 783 C ILE A 55 36.726 -12.305 2.612 1.00 50.43 C ATOM 784 O ILE A 55 36.577 -12.373 1.392 1.00 74.52 O ATOM 785 CB ILE A 55 37.102 -9.886 3.100 1.00 35.13 C ATOM 786 CG1 ILE A 55 38.024 -8.861 3.764 1.00 72.15 C ATOM 787 CG2 ILE A 55 35.714 -9.839 3.722 1.00 12.31 C ATOM 788 CD1 ILE A 55 37.633 -7.427 3.484 1.00 41.22 C ATOM 0 H ILE A 55 39.001 -11.235 1.585 1.00 72.15 H new ATOM 0 HA ILE A 55 37.839 -11.535 4.280 1.00 73.11 H new ATOM 0 HB ILE A 55 37.014 -9.636 2.043 1.00 35.13 H new ATOM 0 HG12 ILE A 55 38.022 -9.026 4.841 1.00 72.15 H new ATOM 0 HG13 ILE A 55 39.045 -9.025 3.419 1.00 72.15 H new ATOM 0 HG21 ILE A 55 35.306 -8.833 3.626 1.00 12.31 H new ATOM 0 HG22 ILE A 55 35.061 -10.545 3.209 1.00 12.31 H new ATOM 0 HG23 ILE A 55 35.779 -10.105 4.777 1.00 12.31 H new ATOM 0 HD11 ILE A 55 38.330 -6.755 3.986 1.00 41.22 H new ATOM 0 HD12 ILE A 55 37.663 -7.245 2.410 1.00 41.22 H new ATOM 0 HD13 ILE A 55 36.624 -7.246 3.855 1.00 41.22 H new ATOM 800 N SER A 56 36.067 -13.080 3.466 1.00 33.24 N ATOM 801 CA SER A 56 35.111 -14.082 3.009 1.00 51.10 C ATOM 802 C SER A 56 33.678 -13.603 3.222 1.00 21.14 C ATOM 803 O SER A 56 33.241 -13.406 4.355 1.00 15.31 O ATOM 804 CB SER A 56 35.334 -15.404 3.746 1.00 71.14 C ATOM 805 OG SER A 56 36.192 -16.259 3.010 1.00 23.05 O ATOM 0 H SER A 56 36.177 -13.034 4.479 1.00 33.24 H new ATOM 0 HA SER A 56 35.268 -14.238 1.942 1.00 51.10 H new ATOM 0 HB2 SER A 56 35.765 -15.209 4.728 1.00 71.14 H new ATOM 0 HB3 SER A 56 34.377 -15.898 3.911 1.00 71.14 H new ATOM 0 HG SER A 56 36.320 -17.096 3.503 1.00 23.05 H new ATOM 811 N ASN A 57 32.953 -13.418 2.124 1.00 32.51 N ATOM 812 CA ASN A 57 31.569 -12.962 2.190 1.00 62.23 C ATOM 813 C ASN A 57 30.815 -13.326 0.914 1.00 23.22 C ATOM 814 O ASN A 57 31.356 -13.230 -0.187 1.00 54.02 O ATOM 815 CB ASN A 57 31.519 -11.449 2.411 1.00 43.03 C ATOM 816 CG ASN A 57 32.069 -10.674 1.229 1.00 41.31 C ATOM 817 OD1 ASN A 57 33.242 -10.299 1.209 1.00 14.05 O ATOM 818 ND2 ASN A 57 31.222 -10.429 0.236 1.00 33.31 N ATOM 0 H ASN A 57 33.300 -13.577 1.178 1.00 32.51 H new ATOM 0 HA ASN A 57 31.087 -13.462 3.031 1.00 62.23 H new ATOM 0 HB2 ASN A 57 30.488 -11.145 2.594 1.00 43.03 H new ATOM 0 HB3 ASN A 57 32.089 -11.196 3.305 1.00 43.03 H new ATOM 0 HD21 ASN A 57 31.535 -9.911 -0.585 1.00 33.31 H new ATOM 0 HD22 ASN A 57 30.258 -10.759 0.294 1.00 33.31 H new ATOM 825 N ALA A 58 29.564 -13.744 1.072 1.00 34.21 N ATOM 826 CA ALA A 58 28.734 -14.120 -0.066 1.00 44.02 C ATOM 827 C ALA A 58 27.326 -13.552 0.069 1.00 12.23 C ATOM 828 O ALA A 58 27.059 -12.730 0.946 1.00 45.20 O ATOM 829 CB ALA A 58 28.684 -15.634 -0.205 1.00 73.31 C ATOM 0 H ALA A 58 29.102 -13.831 1.977 1.00 34.21 H new ATOM 0 HA ALA A 58 29.182 -13.698 -0.966 1.00 44.02 H new ATOM 0 HB1 ALA A 58 28.061 -15.901 -1.059 1.00 73.31 H new ATOM 0 HB2 ALA A 58 29.692 -16.019 -0.358 1.00 73.31 H new ATOM 0 HB3 ALA A 58 28.263 -16.069 0.701 1.00 73.31 H new ATOM 835 N SER A 59 26.427 -13.995 -0.804 1.00 44.25 N ATOM 836 CA SER A 59 25.047 -13.527 -0.785 1.00 14.41 C ATOM 837 C SER A 59 24.294 -14.105 0.410 1.00 51.42 C ATOM 838 O SER A 59 23.193 -13.662 0.737 1.00 12.31 O ATOM 839 CB SER A 59 24.337 -13.912 -2.084 1.00 53.22 C ATOM 840 OG SER A 59 24.651 -15.241 -2.463 1.00 3.43 O ATOM 0 H SER A 59 26.630 -14.678 -1.534 1.00 44.25 H new ATOM 0 HA SER A 59 25.059 -12.441 -0.695 1.00 14.41 H new ATOM 0 HB2 SER A 59 23.259 -13.812 -1.956 1.00 53.22 H new ATOM 0 HB3 SER A 59 24.629 -13.225 -2.879 1.00 53.22 H new ATOM 0 HG SER A 59 24.183 -15.463 -3.295 1.00 3.43 H new ATOM 846 N ASP A 60 24.896 -15.096 1.057 1.00 62.23 N ATOM 847 CA ASP A 60 24.285 -15.736 2.216 1.00 13.50 C ATOM 848 C ASP A 60 25.338 -16.437 3.068 1.00 33.30 C ATOM 849 O ASP A 60 26.340 -16.930 2.552 1.00 64.43 O ATOM 850 CB ASP A 60 23.220 -16.739 1.770 1.00 63.14 C ATOM 851 CG ASP A 60 21.868 -16.467 2.399 1.00 60.14 C ATOM 852 OD1 ASP A 60 21.100 -15.664 1.829 1.00 1.14 O ATOM 853 OD2 ASP A 60 21.578 -17.057 3.461 1.00 50.12 O ATOM 0 H ASP A 60 25.807 -15.474 0.799 1.00 62.23 H new ATOM 0 HA ASP A 60 23.812 -14.962 2.820 1.00 13.50 H new ATOM 0 HB2 ASP A 60 23.126 -16.706 0.685 1.00 63.14 H new ATOM 0 HB3 ASP A 60 23.543 -17.747 2.031 1.00 63.14 H new ATOM 858 N SER A 61 25.103 -16.477 4.376 1.00 60.23 N ATOM 859 CA SER A 61 26.034 -17.114 5.300 1.00 34.22 C ATOM 860 C SER A 61 27.361 -16.363 5.338 1.00 10.04 C ATOM 861 O SER A 61 28.284 -16.671 4.583 1.00 12.33 O ATOM 862 CB SER A 61 26.270 -18.571 4.896 1.00 3.42 C ATOM 863 OG SER A 61 26.717 -19.340 5.999 1.00 0.24 O ATOM 0 H SER A 61 24.276 -16.076 4.819 1.00 60.23 H new ATOM 0 HA SER A 61 25.593 -17.088 6.297 1.00 34.22 H new ATOM 0 HB2 SER A 61 25.347 -18.997 4.502 1.00 3.42 H new ATOM 0 HB3 SER A 61 27.008 -18.615 4.095 1.00 3.42 H new ATOM 0 HG SER A 61 26.859 -20.267 5.715 1.00 0.24 H new ATOM 869 N HIS A 62 27.450 -15.375 6.224 1.00 74.42 N ATOM 870 CA HIS A 62 28.664 -14.579 6.362 1.00 30.42 C ATOM 871 C HIS A 62 29.895 -15.477 6.448 1.00 40.45 C ATOM 872 O HIS A 62 29.819 -16.607 6.927 1.00 63.35 O ATOM 873 CB HIS A 62 28.578 -13.692 7.604 1.00 4.41 C ATOM 874 CG HIS A 62 28.401 -14.459 8.878 1.00 71.21 C ATOM 875 ND1 HIS A 62 27.305 -14.308 9.701 1.00 1.02 N ATOM 876 CD2 HIS A 62 29.187 -15.390 9.468 1.00 41.15 C ATOM 877 CE1 HIS A 62 27.426 -15.111 10.743 1.00 31.11 C ATOM 878 NE2 HIS A 62 28.559 -15.779 10.625 1.00 22.21 N ATOM 0 H HIS A 62 26.696 -15.107 6.856 1.00 74.42 H new ATOM 0 HA HIS A 62 28.758 -13.947 5.479 1.00 30.42 H new ATOM 0 HB2 HIS A 62 29.485 -13.091 7.675 1.00 4.41 H new ATOM 0 HB3 HIS A 62 27.745 -12.999 7.488 1.00 4.41 H new ATOM 0 HD2 HIS A 62 30.132 -15.758 9.097 1.00 41.15 H new ATOM 0 HE1 HIS A 62 26.719 -15.205 11.554 1.00 31.11 H new ATOM 0 HE2 HIS A 62 28.910 -16.472 11.286 1.00 22.21 H new ATOM 886 N GLY A 63 31.029 -14.964 5.979 1.00 72.24 N ATOM 887 CA GLY A 63 32.259 -15.733 6.010 1.00 3.24 C ATOM 888 C GLY A 63 33.124 -15.394 7.209 1.00 74.32 C ATOM 889 O GLY A 63 32.771 -15.709 8.346 1.00 4.35 O ATOM 0 H GLY A 63 31.117 -14.030 5.578 1.00 72.24 H new ATOM 0 HA2 GLY A 63 32.019 -16.796 6.028 1.00 3.24 H new ATOM 0 HA3 GLY A 63 32.823 -15.549 5.095 1.00 3.24 H new ATOM 893 N LEU A 64 34.259 -14.753 6.955 1.00 70.00 N ATOM 894 CA LEU A 64 35.178 -14.373 8.022 1.00 11.42 C ATOM 895 C LEU A 64 36.393 -13.642 7.460 1.00 50.12 C ATOM 896 O LEU A 64 37.210 -14.230 6.752 1.00 4.42 O ATOM 897 CB LEU A 64 35.628 -15.611 8.800 1.00 51.41 C ATOM 898 CG LEU A 64 36.127 -16.786 7.960 1.00 62.45 C ATOM 899 CD1 LEU A 64 37.321 -17.451 8.628 1.00 73.24 C ATOM 900 CD2 LEU A 64 35.009 -17.794 7.735 1.00 24.44 C ATOM 0 H LEU A 64 34.565 -14.485 6.020 1.00 70.00 H new ATOM 0 HA LEU A 64 34.652 -13.699 8.698 1.00 11.42 H new ATOM 0 HB2 LEU A 64 36.423 -15.316 9.485 1.00 51.41 H new ATOM 0 HB3 LEU A 64 34.793 -15.955 9.410 1.00 51.41 H new ATOM 0 HG LEU A 64 36.446 -16.405 6.990 1.00 62.45 H new ATOM 0 HD11 LEU A 64 37.663 -18.285 8.015 1.00 73.24 H new ATOM 0 HD12 LEU A 64 38.128 -16.726 8.736 1.00 73.24 H new ATOM 0 HD13 LEU A 64 37.029 -17.819 9.612 1.00 73.24 H new ATOM 0 HD21 LEU A 64 35.383 -18.624 7.135 1.00 24.44 H new ATOM 0 HD22 LEU A 64 34.659 -18.170 8.696 1.00 24.44 H new ATOM 0 HD23 LEU A 64 34.183 -17.311 7.212 1.00 24.44 H new ATOM 912 N ALA A 65 36.506 -12.357 7.782 1.00 73.35 N ATOM 913 CA ALA A 65 37.623 -11.548 7.312 1.00 0.51 C ATOM 914 C ALA A 65 38.914 -11.923 8.032 1.00 71.33 C ATOM 915 O ALA A 65 39.055 -11.695 9.233 1.00 43.20 O ATOM 916 CB ALA A 65 37.321 -10.069 7.504 1.00 14.24 C ATOM 0 H ALA A 65 35.838 -11.855 8.366 1.00 73.35 H new ATOM 0 HA ALA A 65 37.760 -11.745 6.249 1.00 0.51 H new ATOM 0 HB1 ALA A 65 38.164 -9.476 7.149 1.00 14.24 H new ATOM 0 HB2 ALA A 65 36.427 -9.804 6.939 1.00 14.24 H new ATOM 0 HB3 ALA A 65 37.155 -9.866 8.562 1.00 14.24 H new ATOM 922 N SER A 66 39.853 -12.502 7.290 1.00 51.54 N ATOM 923 CA SER A 66 41.131 -12.913 7.858 1.00 31.34 C ATOM 924 C SER A 66 42.262 -12.023 7.354 1.00 2.51 C ATOM 925 O SER A 66 42.243 -11.560 6.213 1.00 2.30 O ATOM 926 CB SER A 66 41.422 -14.374 7.508 1.00 11.14 C ATOM 927 OG SER A 66 42.466 -14.893 8.314 1.00 32.10 O ATOM 0 H SER A 66 39.752 -12.697 6.294 1.00 51.54 H new ATOM 0 HA SER A 66 41.068 -12.811 8.941 1.00 31.34 H new ATOM 0 HB2 SER A 66 40.521 -14.971 7.646 1.00 11.14 H new ATOM 0 HB3 SER A 66 41.697 -14.451 6.456 1.00 11.14 H new ATOM 0 HG SER A 66 42.632 -15.828 8.072 1.00 32.10 H new ATOM 933 N THR A 67 43.249 -11.786 8.214 1.00 54.25 N ATOM 934 CA THR A 67 44.388 -10.950 7.858 1.00 63.04 C ATOM 935 C THR A 67 45.640 -11.375 8.616 1.00 22.41 C ATOM 936 O THR A 67 45.614 -11.538 9.837 1.00 73.42 O ATOM 937 CB THR A 67 44.107 -9.463 8.147 1.00 71.52 C ATOM 938 OG1 THR A 67 42.981 -9.020 7.381 1.00 45.24 O ATOM 939 CG2 THR A 67 45.321 -8.609 7.816 1.00 51.41 C ATOM 0 H THR A 67 43.282 -12.162 9.162 1.00 54.25 H new ATOM 0 HA THR A 67 44.552 -11.080 6.788 1.00 63.04 H new ATOM 0 HB THR A 67 43.887 -9.356 9.209 1.00 71.52 H new ATOM 0 HG1 THR A 67 42.808 -8.074 7.571 1.00 45.24 H new ATOM 0 HG21 THR A 67 45.099 -7.563 8.028 1.00 51.41 H new ATOM 0 HG22 THR A 67 46.168 -8.930 8.422 1.00 51.41 H new ATOM 0 HG23 THR A 67 45.567 -8.721 6.760 1.00 51.41 H new ATOM 947 N LEU A 68 46.736 -11.553 7.887 1.00 61.42 N ATOM 948 CA LEU A 68 48.000 -11.960 8.492 1.00 41.54 C ATOM 949 C LEU A 68 49.119 -10.993 8.117 1.00 54.42 C ATOM 950 O LEU A 68 50.234 -11.409 7.805 1.00 14.33 O ATOM 951 CB LEU A 68 48.367 -13.377 8.050 1.00 31.43 C ATOM 952 CG LEU A 68 48.997 -14.271 9.119 1.00 34.32 C ATOM 953 CD1 LEU A 68 48.175 -15.537 9.308 1.00 22.21 C ATOM 954 CD2 LEU A 68 50.432 -14.615 8.749 1.00 21.01 C ATOM 0 H LEU A 68 46.775 -11.422 6.876 1.00 61.42 H new ATOM 0 HA LEU A 68 47.878 -11.944 9.575 1.00 41.54 H new ATOM 0 HB2 LEU A 68 47.465 -13.866 7.681 1.00 31.43 H new ATOM 0 HB3 LEU A 68 49.058 -13.307 7.210 1.00 31.43 H new ATOM 0 HG LEU A 68 49.007 -13.725 10.062 1.00 34.32 H new ATOM 0 HD11 LEU A 68 48.638 -16.161 10.072 1.00 22.21 H new ATOM 0 HD12 LEU A 68 47.165 -15.272 9.619 1.00 22.21 H new ATOM 0 HD13 LEU A 68 48.132 -16.087 8.368 1.00 22.21 H new ATOM 0 HD21 LEU A 68 50.864 -15.252 9.521 1.00 21.01 H new ATOM 0 HD22 LEU A 68 50.445 -15.142 7.795 1.00 21.01 H new ATOM 0 HD23 LEU A 68 51.016 -13.698 8.666 1.00 21.01 H new ATOM 966 N ASN A 69 48.812 -9.700 8.151 1.00 5.34 N ATOM 967 CA ASN A 69 49.793 -8.673 7.817 1.00 53.12 C ATOM 968 C ASN A 69 50.300 -7.975 9.075 1.00 42.21 C ATOM 969 O ASN A 69 49.613 -7.938 10.095 1.00 1.52 O ATOM 970 CB ASN A 69 49.181 -7.646 6.862 1.00 71.12 C ATOM 971 CG ASN A 69 48.387 -6.579 7.591 1.00 22.31 C ATOM 972 OD1 ASN A 69 47.682 -6.867 8.558 1.00 2.15 O ATOM 973 ND2 ASN A 69 48.499 -5.339 7.129 1.00 73.43 N ATOM 0 H ASN A 69 47.893 -9.339 8.406 1.00 5.34 H new ATOM 0 HA ASN A 69 50.637 -9.158 7.327 1.00 53.12 H new ATOM 0 HB2 ASN A 69 49.975 -7.173 6.284 1.00 71.12 H new ATOM 0 HB3 ASN A 69 48.531 -8.157 6.152 1.00 71.12 H new ATOM 0 HD21 ASN A 69 47.989 -4.579 7.579 1.00 73.43 H new ATOM 0 HD22 ASN A 69 49.095 -5.147 6.324 1.00 73.43 H new ATOM 980 N GLN A 70 51.507 -7.423 8.993 1.00 15.11 N ATOM 981 CA GLN A 70 52.106 -6.726 10.125 1.00 33.12 C ATOM 982 C GLN A 70 51.917 -5.218 9.998 1.00 65.03 C ATOM 983 O GLN A 70 52.442 -4.593 9.077 1.00 11.42 O ATOM 984 CB GLN A 70 53.595 -7.059 10.226 1.00 21.50 C ATOM 985 CG GLN A 70 54.355 -6.849 8.926 1.00 30.42 C ATOM 986 CD GLN A 70 55.603 -6.008 9.109 1.00 31.21 C ATOM 987 OE1 GLN A 70 55.527 -4.840 9.490 1.00 45.44 O ATOM 988 NE2 GLN A 70 56.761 -6.600 8.839 1.00 54.44 N ATOM 0 H GLN A 70 52.088 -7.445 8.155 1.00 15.11 H new ATOM 0 HA GLN A 70 51.604 -7.061 11.033 1.00 33.12 H new ATOM 0 HB2 GLN A 70 54.045 -6.442 11.004 1.00 21.50 H new ATOM 0 HB3 GLN A 70 53.706 -8.097 10.539 1.00 21.50 H new ATOM 0 HG2 GLN A 70 54.632 -7.818 8.511 1.00 30.42 H new ATOM 0 HG3 GLN A 70 53.700 -6.367 8.200 1.00 30.42 H new ATOM 0 HE21 GLN A 70 56.777 -7.571 8.526 1.00 54.44 H new ATOM 0 HE22 GLN A 70 57.634 -6.084 8.945 1.00 54.44 H new ATOM 997 N GLY A 71 51.164 -4.640 10.928 1.00 4.45 N ATOM 998 CA GLY A 71 50.920 -3.209 10.902 1.00 70.45 C ATOM 999 C GLY A 71 49.489 -2.859 11.258 1.00 52.04 C ATOM 1000 O GLY A 71 48.979 -3.282 12.294 1.00 73.52 O ATOM 0 H GLY A 71 50.718 -5.137 11.699 1.00 4.45 H new ATOM 0 HA2 GLY A 71 51.596 -2.715 11.600 1.00 70.45 H new ATOM 0 HA3 GLY A 71 51.149 -2.822 9.909 1.00 70.45 H new ATOM 1004 N ASN A 72 48.840 -2.082 10.397 1.00 51.42 N ATOM 1005 CA ASN A 72 47.459 -1.672 10.627 1.00 22.32 C ATOM 1006 C ASN A 72 46.607 -1.906 9.383 1.00 25.53 C ATOM 1007 O ASN A 72 47.023 -1.598 8.266 1.00 12.12 O ATOM 1008 CB ASN A 72 47.403 -0.197 11.027 1.00 12.52 C ATOM 1009 CG ASN A 72 47.585 0.731 9.841 1.00 4.25 C ATOM 1010 OD1 ASN A 72 48.693 0.890 9.328 1.00 1.13 O ATOM 1011 ND2 ASN A 72 46.496 1.349 9.401 1.00 52.32 N ATOM 0 H ASN A 72 49.248 -1.724 9.534 1.00 51.42 H new ATOM 0 HA ASN A 72 47.057 -2.277 11.440 1.00 22.32 H new ATOM 0 HB2 ASN A 72 46.445 0.011 11.504 1.00 12.52 H new ATOM 0 HB3 ASN A 72 48.178 0.006 11.766 1.00 12.52 H new ATOM 0 HD21 ASN A 72 46.557 1.986 8.607 1.00 52.32 H new ATOM 0 HD22 ASN A 72 45.598 1.187 9.857 1.00 52.32 H new ATOM 1018 N VAL A 73 45.413 -2.454 9.585 1.00 40.11 N ATOM 1019 CA VAL A 73 44.501 -2.728 8.481 1.00 65.14 C ATOM 1020 C VAL A 73 43.180 -1.990 8.663 1.00 71.23 C ATOM 1021 O VAL A 73 42.639 -1.925 9.767 1.00 61.12 O ATOM 1022 CB VAL A 73 44.220 -4.237 8.346 1.00 3.52 C ATOM 1023 CG1 VAL A 73 43.214 -4.495 7.236 1.00 71.45 C ATOM 1024 CG2 VAL A 73 45.513 -4.998 8.094 1.00 34.52 C ATOM 0 H VAL A 73 45.055 -2.717 10.503 1.00 40.11 H new ATOM 0 HA VAL A 73 44.989 -2.374 7.573 1.00 65.14 H new ATOM 0 HB VAL A 73 43.791 -4.595 9.282 1.00 3.52 H new ATOM 0 HG11 VAL A 73 43.028 -5.566 7.155 1.00 71.45 H new ATOM 0 HG12 VAL A 73 42.280 -3.981 7.464 1.00 71.45 H new ATOM 0 HG13 VAL A 73 43.611 -4.124 6.291 1.00 71.45 H new ATOM 0 HG21 VAL A 73 45.297 -6.062 8.001 1.00 34.52 H new ATOM 0 HG22 VAL A 73 45.973 -4.639 7.173 1.00 34.52 H new ATOM 0 HG23 VAL A 73 46.197 -4.838 8.927 1.00 34.52 H new ATOM 1034 N LYS A 74 42.663 -1.435 7.572 1.00 64.14 N ATOM 1035 CA LYS A 74 41.403 -0.702 7.609 1.00 63.45 C ATOM 1036 C LYS A 74 40.359 -1.371 6.720 1.00 10.13 C ATOM 1037 O LYS A 74 40.518 -1.439 5.501 1.00 20.24 O ATOM 1038 CB LYS A 74 41.618 0.745 7.161 1.00 40.15 C ATOM 1039 CG LYS A 74 40.686 1.736 7.837 1.00 61.32 C ATOM 1040 CD LYS A 74 39.289 1.683 7.242 1.00 70.51 C ATOM 1041 CE LYS A 74 38.232 1.491 8.318 1.00 33.44 C ATOM 1042 NZ LYS A 74 38.253 2.593 9.319 1.00 31.04 N ATOM 0 H LYS A 74 43.098 -1.479 6.650 1.00 64.14 H new ATOM 0 HA LYS A 74 41.038 -0.707 8.636 1.00 63.45 H new ATOM 0 HB2 LYS A 74 42.650 1.031 7.367 1.00 40.15 H new ATOM 0 HB3 LYS A 74 41.479 0.807 6.082 1.00 40.15 H new ATOM 0 HG2 LYS A 74 40.636 1.520 8.904 1.00 61.32 H new ATOM 0 HG3 LYS A 74 41.088 2.744 7.734 1.00 61.32 H new ATOM 0 HD2 LYS A 74 39.090 2.605 6.695 1.00 70.51 H new ATOM 0 HD3 LYS A 74 39.230 0.867 6.522 1.00 70.51 H new ATOM 0 HE2 LYS A 74 37.247 1.440 7.854 1.00 33.44 H new ATOM 0 HE3 LYS A 74 38.396 0.539 8.823 1.00 33.44 H new ATOM 0 HZ1 LYS A 74 37.331 2.645 9.797 1.00 31.04 H new ATOM 0 HZ2 LYS A 74 38.998 2.410 10.022 1.00 31.04 H new ATOM 0 HZ3 LYS A 74 38.445 3.495 8.838 1.00 31.04 H new ATOM 1056 N VAL A 75 39.290 -1.862 7.339 1.00 54.14 N ATOM 1057 CA VAL A 75 38.218 -2.523 6.604 1.00 53.34 C ATOM 1058 C VAL A 75 37.137 -1.528 6.196 1.00 35.10 C ATOM 1059 O VAL A 75 36.780 -0.632 6.962 1.00 44.21 O ATOM 1060 CB VAL A 75 37.577 -3.648 7.437 1.00 74.20 C ATOM 1061 CG1 VAL A 75 36.495 -4.357 6.635 1.00 3.24 C ATOM 1062 CG2 VAL A 75 38.637 -4.634 7.905 1.00 14.45 C ATOM 0 H VAL A 75 39.143 -1.815 8.347 1.00 54.14 H new ATOM 0 HA VAL A 75 38.667 -2.955 5.709 1.00 53.34 H new ATOM 0 HB VAL A 75 37.111 -3.204 8.317 1.00 74.20 H new ATOM 0 HG11 VAL A 75 36.054 -5.149 7.240 1.00 3.24 H new ATOM 0 HG12 VAL A 75 35.722 -3.641 6.354 1.00 3.24 H new ATOM 0 HG13 VAL A 75 36.933 -4.789 5.735 1.00 3.24 H new ATOM 0 HG21 VAL A 75 38.166 -5.423 8.492 1.00 14.45 H new ATOM 0 HG22 VAL A 75 39.133 -5.073 7.039 1.00 14.45 H new ATOM 0 HG23 VAL A 75 39.372 -4.114 8.519 1.00 14.45 H new ATOM 1072 N THR A 76 36.616 -1.692 4.984 1.00 51.23 N ATOM 1073 CA THR A 76 35.575 -0.808 4.473 1.00 23.41 C ATOM 1074 C THR A 76 34.522 -1.591 3.697 1.00 41.42 C ATOM 1075 O THR A 76 34.847 -2.509 2.945 1.00 35.53 O ATOM 1076 CB THR A 76 36.164 0.284 3.560 1.00 72.30 C ATOM 1077 OG1 THR A 76 37.243 0.950 4.225 1.00 33.34 O ATOM 1078 CG2 THR A 76 35.098 1.297 3.172 1.00 13.21 C ATOM 0 H THR A 76 36.898 -2.429 4.338 1.00 51.23 H new ATOM 0 HA THR A 76 35.108 -0.335 5.337 1.00 23.41 H new ATOM 0 HB THR A 76 36.537 -0.193 2.654 1.00 72.30 H new ATOM 0 HG1 THR A 76 37.613 1.641 3.637 1.00 33.34 H new ATOM 0 HG21 THR A 76 35.537 2.058 2.527 1.00 13.21 H new ATOM 0 HG22 THR A 76 34.292 0.791 2.640 1.00 13.21 H new ATOM 0 HG23 THR A 76 34.700 1.768 4.071 1.00 13.21 H new ATOM 1086 N ALA A 77 33.260 -1.220 3.883 1.00 14.32 N ATOM 1087 CA ALA A 77 32.159 -1.885 3.198 1.00 73.32 C ATOM 1088 C ALA A 77 31.017 -0.913 2.920 1.00 31.43 C ATOM 1089 O ALA A 77 30.774 0.011 3.696 1.00 75.11 O ATOM 1090 CB ALA A 77 31.662 -3.065 4.020 1.00 71.54 C ATOM 0 H ALA A 77 32.975 -0.462 4.503 1.00 14.32 H new ATOM 0 HA ALA A 77 32.529 -2.253 2.241 1.00 73.32 H new ATOM 0 HB1 ALA A 77 30.840 -3.552 3.496 1.00 71.54 H new ATOM 0 HB2 ALA A 77 32.475 -3.777 4.162 1.00 71.54 H new ATOM 0 HB3 ALA A 77 31.315 -2.712 4.991 1.00 71.54 H new ATOM 1096 N SER A 78 30.320 -1.128 1.809 1.00 60.10 N ATOM 1097 CA SER A 78 29.206 -0.268 1.427 1.00 43.11 C ATOM 1098 C SER A 78 28.145 -1.058 0.668 1.00 33.41 C ATOM 1099 O SER A 78 28.463 -1.871 -0.200 1.00 63.05 O ATOM 1100 CB SER A 78 29.704 0.895 0.567 1.00 44.14 C ATOM 1101 OG SER A 78 29.586 2.127 1.257 1.00 53.25 O ATOM 0 H SER A 78 30.507 -1.890 1.158 1.00 60.10 H new ATOM 0 HA SER A 78 28.757 0.129 2.337 1.00 43.11 H new ATOM 0 HB2 SER A 78 30.745 0.727 0.291 1.00 44.14 H new ATOM 0 HB3 SER A 78 29.132 0.937 -0.360 1.00 44.14 H new ATOM 0 HG SER A 78 29.912 2.854 0.687 1.00 53.25 H new ATOM 1107 N ILE A 79 26.882 -0.814 1.003 1.00 44.12 N ATOM 1108 CA ILE A 79 25.773 -1.501 0.353 1.00 24.51 C ATOM 1109 C ILE A 79 24.597 -0.558 0.130 1.00 53.34 C ATOM 1110 O ILE A 79 23.954 -0.114 1.080 1.00 2.21 O ATOM 1111 CB ILE A 79 25.298 -2.710 1.181 1.00 53.02 C ATOM 1112 CG1 ILE A 79 26.333 -3.835 1.123 1.00 41.03 C ATOM 1113 CG2 ILE A 79 23.948 -3.199 0.677 1.00 12.51 C ATOM 1114 CD1 ILE A 79 26.541 -4.393 -0.268 1.00 24.34 C ATOM 0 H ILE A 79 26.602 -0.146 1.721 1.00 44.12 H new ATOM 0 HA ILE A 79 26.141 -1.853 -0.611 1.00 24.51 H new ATOM 0 HB ILE A 79 25.186 -2.399 2.220 1.00 53.02 H new ATOM 0 HG12 ILE A 79 27.284 -3.462 1.502 1.00 41.03 H new ATOM 0 HG13 ILE A 79 26.019 -4.641 1.786 1.00 41.03 H new ATOM 0 HG21 ILE A 79 23.625 -4.054 1.272 1.00 12.51 H new ATOM 0 HG22 ILE A 79 23.215 -2.398 0.766 1.00 12.51 H new ATOM 0 HG23 ILE A 79 24.036 -3.497 -0.368 1.00 12.51 H new ATOM 0 HD11 ILE A 79 27.288 -5.186 -0.234 1.00 24.34 H new ATOM 0 HD12 ILE A 79 25.600 -4.796 -0.643 1.00 24.34 H new ATOM 0 HD13 ILE A 79 26.885 -3.599 -0.931 1.00 24.34 H new ATOM 1126 N GLY A 80 24.319 -0.256 -1.135 1.00 74.33 N ATOM 1127 CA GLY A 80 23.218 0.632 -1.462 1.00 21.34 C ATOM 1128 C GLY A 80 23.281 1.939 -0.696 1.00 63.35 C ATOM 1129 O GLY A 80 24.076 2.819 -1.023 1.00 10.32 O ATOM 0 H GLY A 80 24.837 -0.610 -1.939 1.00 74.33 H new ATOM 0 HA2 GLY A 80 23.229 0.840 -2.532 1.00 21.34 H new ATOM 0 HA3 GLY A 80 22.274 0.132 -1.244 1.00 21.34 H new ATOM 1133 N GLY A 81 22.439 2.066 0.325 1.00 45.42 N ATOM 1134 CA GLY A 81 22.418 3.279 1.121 1.00 10.33 C ATOM 1135 C GLY A 81 22.872 3.044 2.548 1.00 14.03 C ATOM 1136 O GLY A 81 22.225 3.495 3.494 1.00 31.23 O ATOM 0 H GLY A 81 21.772 1.351 0.615 1.00 45.42 H new ATOM 0 HA2 GLY A 81 23.062 4.026 0.657 1.00 10.33 H new ATOM 0 HA3 GLY A 81 21.408 3.688 1.127 1.00 10.33 H new ATOM 1140 N ILE A 82 23.985 2.335 2.704 1.00 14.24 N ATOM 1141 CA ILE A 82 24.523 2.041 4.027 1.00 71.35 C ATOM 1142 C ILE A 82 26.048 2.030 4.009 1.00 13.24 C ATOM 1143 O ILE A 82 26.664 1.787 2.973 1.00 62.34 O ATOM 1144 CB ILE A 82 24.017 0.684 4.551 1.00 63.43 C ATOM 1145 CG1 ILE A 82 24.740 -0.463 3.841 1.00 71.21 C ATOM 1146 CG2 ILE A 82 22.513 0.569 4.358 1.00 74.30 C ATOM 1147 CD1 ILE A 82 25.777 -1.149 4.702 1.00 4.32 C ATOM 0 H ILE A 82 24.531 1.954 1.932 1.00 14.24 H new ATOM 0 HA ILE A 82 24.175 2.831 4.693 1.00 71.35 H new ATOM 0 HB ILE A 82 24.232 0.620 5.618 1.00 63.43 H new ATOM 0 HG12 ILE A 82 24.005 -1.199 3.516 1.00 71.21 H new ATOM 0 HG13 ILE A 82 25.223 -0.077 2.943 1.00 71.21 H new ATOM 0 HG21 ILE A 82 22.171 -0.395 4.733 1.00 74.30 H new ATOM 0 HG22 ILE A 82 22.014 1.369 4.905 1.00 74.30 H new ATOM 0 HG23 ILE A 82 22.275 0.651 3.297 1.00 74.30 H new ATOM 0 HD11 ILE A 82 26.249 -1.951 4.134 1.00 4.32 H new ATOM 0 HD12 ILE A 82 26.534 -0.426 5.006 1.00 4.32 H new ATOM 0 HD13 ILE A 82 25.297 -1.565 5.588 1.00 4.32 H new ATOM 1159 N GLN A 83 26.649 2.294 5.165 1.00 52.40 N ATOM 1160 CA GLN A 83 28.102 2.314 5.283 1.00 40.15 C ATOM 1161 C GLN A 83 28.555 1.600 6.551 1.00 23.54 C ATOM 1162 O GLN A 83 27.836 1.568 7.549 1.00 74.44 O ATOM 1163 CB GLN A 83 28.615 3.755 5.284 1.00 42.15 C ATOM 1164 CG GLN A 83 28.112 4.579 6.458 1.00 40.34 C ATOM 1165 CD GLN A 83 27.217 5.724 6.026 1.00 52.01 C ATOM 1166 OE1 GLN A 83 26.070 5.515 5.628 1.00 22.15 O ATOM 1167 NE2 GLN A 83 27.737 6.944 6.102 1.00 74.40 N ATOM 0 H GLN A 83 26.152 2.497 6.032 1.00 52.40 H new ATOM 0 HA GLN A 83 28.518 1.788 4.424 1.00 40.15 H new ATOM 0 HB2 GLN A 83 29.705 3.744 5.299 1.00 42.15 H new ATOM 0 HB3 GLN A 83 28.314 4.240 4.355 1.00 42.15 H new ATOM 0 HG2 GLN A 83 27.563 3.932 7.142 1.00 40.34 H new ATOM 0 HG3 GLN A 83 28.964 4.977 7.009 1.00 40.34 H new ATOM 0 HE21 GLN A 83 28.692 7.071 6.438 1.00 74.40 H new ATOM 0 HE22 GLN A 83 27.182 7.753 5.825 1.00 74.40 H new ATOM 1176 N GLY A 84 29.754 1.026 6.506 1.00 43.31 N ATOM 1177 CA GLY A 84 30.283 0.319 7.658 1.00 54.41 C ATOM 1178 C GLY A 84 31.744 -0.047 7.493 1.00 22.01 C ATOM 1179 O GLY A 84 32.191 -0.366 6.391 1.00 11.52 O ATOM 0 H GLY A 84 30.368 1.038 5.692 1.00 43.31 H new ATOM 0 HA2 GLY A 84 30.165 0.939 8.547 1.00 54.41 H new ATOM 0 HA3 GLY A 84 29.701 -0.588 7.823 1.00 54.41 H new ATOM 1183 N SER A 85 32.492 0.000 8.591 1.00 32.51 N ATOM 1184 CA SER A 85 33.913 -0.325 8.562 1.00 2.14 C ATOM 1185 C SER A 85 34.345 -0.988 9.867 1.00 65.34 C ATOM 1186 O SER A 85 33.697 -0.832 10.902 1.00 41.11 O ATOM 1187 CB SER A 85 34.741 0.938 8.321 1.00 45.53 C ATOM 1188 OG SER A 85 34.018 2.100 8.688 1.00 42.53 O ATOM 0 H SER A 85 32.137 0.260 9.511 1.00 32.51 H new ATOM 0 HA SER A 85 34.084 -1.025 7.744 1.00 2.14 H new ATOM 0 HB2 SER A 85 35.666 0.885 8.895 1.00 45.53 H new ATOM 0 HB3 SER A 85 35.021 0.997 7.269 1.00 45.53 H new ATOM 0 HG SER A 85 34.570 2.893 8.526 1.00 42.53 H new ATOM 1194 N THR A 86 35.447 -1.731 9.809 1.00 53.11 N ATOM 1195 CA THR A 86 35.966 -2.420 10.983 1.00 4.23 C ATOM 1196 C THR A 86 37.457 -2.155 11.162 1.00 51.44 C ATOM 1197 O THR A 86 38.223 -2.191 10.199 1.00 62.43 O ATOM 1198 CB THR A 86 35.734 -3.940 10.892 1.00 44.24 C ATOM 1199 OG1 THR A 86 36.777 -4.549 10.122 1.00 1.01 O ATOM 1200 CG2 THR A 86 34.385 -4.244 10.257 1.00 5.05 C ATOM 0 H THR A 86 35.996 -1.870 8.961 1.00 53.11 H new ATOM 0 HA THR A 86 35.424 -2.028 11.844 1.00 4.23 H new ATOM 0 HB THR A 86 35.743 -4.348 11.903 1.00 44.24 H new ATOM 0 HG1 THR A 86 37.417 -4.983 10.724 1.00 1.01 H new ATOM 0 HG21 THR A 86 34.243 -5.323 10.203 1.00 5.05 H new ATOM 0 HG22 THR A 86 33.591 -3.803 10.860 1.00 5.05 H new ATOM 0 HG23 THR A 86 34.353 -3.823 9.252 1.00 5.05 H new ATOM 1208 N ASP A 87 37.862 -1.888 12.398 1.00 33.14 N ATOM 1209 CA ASP A 87 39.262 -1.618 12.703 1.00 21.42 C ATOM 1210 C ASP A 87 40.026 -2.917 12.942 1.00 1.03 C ATOM 1211 O ASP A 87 39.625 -3.744 13.762 1.00 52.33 O ATOM 1212 CB ASP A 87 39.374 -0.713 13.931 1.00 72.02 C ATOM 1213 CG ASP A 87 40.756 -0.749 14.553 1.00 33.42 C ATOM 1214 OD1 ASP A 87 41.670 -0.098 14.006 1.00 14.42 O ATOM 1215 OD2 ASP A 87 40.924 -1.430 15.587 1.00 73.32 O ATOM 0 H ASP A 87 37.240 -1.853 13.206 1.00 33.14 H new ATOM 0 HA ASP A 87 39.703 -1.110 11.846 1.00 21.42 H new ATOM 0 HB2 ASP A 87 39.133 0.311 13.647 1.00 72.02 H new ATOM 0 HB3 ASP A 87 38.637 -1.020 14.673 1.00 72.02 H new ATOM 1220 N PHE A 88 41.128 -3.090 12.221 1.00 64.43 N ATOM 1221 CA PHE A 88 41.948 -4.289 12.353 1.00 72.54 C ATOM 1222 C PHE A 88 43.399 -3.926 12.655 1.00 34.22 C ATOM 1223 O PHE A 88 44.085 -3.324 11.830 1.00 65.35 O ATOM 1224 CB PHE A 88 41.876 -5.125 11.073 1.00 33.51 C ATOM 1225 CG PHE A 88 40.811 -6.184 11.108 1.00 53.11 C ATOM 1226 CD1 PHE A 88 39.472 -5.836 11.196 1.00 24.34 C ATOM 1227 CD2 PHE A 88 41.148 -7.527 11.053 1.00 51.24 C ATOM 1228 CE1 PHE A 88 38.490 -6.808 11.228 1.00 13.22 C ATOM 1229 CE2 PHE A 88 40.170 -8.503 11.084 1.00 53.44 C ATOM 1230 CZ PHE A 88 38.839 -8.143 11.173 1.00 41.23 C ATOM 0 H PHE A 88 41.474 -2.415 11.539 1.00 64.43 H new ATOM 0 HA PHE A 88 41.558 -4.875 13.185 1.00 72.54 H new ATOM 0 HB2 PHE A 88 41.692 -4.464 10.226 1.00 33.51 H new ATOM 0 HB3 PHE A 88 42.843 -5.599 10.903 1.00 33.51 H new ATOM 0 HD1 PHE A 88 39.193 -4.794 11.240 1.00 24.34 H new ATOM 0 HD2 PHE A 88 42.187 -7.814 10.985 1.00 51.24 H new ATOM 0 HE1 PHE A 88 37.450 -6.524 11.296 1.00 13.22 H new ATOM 0 HE2 PHE A 88 40.446 -9.546 11.039 1.00 53.44 H new ATOM 0 HZ PHE A 88 38.073 -8.904 11.199 1.00 41.23 H new ATOM 1240 N LYS A 89 43.859 -4.296 13.846 1.00 52.04 N ATOM 1241 CA LYS A 89 45.228 -4.011 14.259 1.00 35.05 C ATOM 1242 C LYS A 89 45.958 -5.294 14.643 1.00 43.12 C ATOM 1243 O LYS A 89 45.627 -5.935 15.640 1.00 12.22 O ATOM 1244 CB LYS A 89 45.233 -3.036 15.439 1.00 30.54 C ATOM 1245 CG LYS A 89 45.543 -1.603 15.043 1.00 31.31 C ATOM 1246 CD LYS A 89 46.680 -1.029 15.872 1.00 14.00 C ATOM 1247 CE LYS A 89 46.752 0.485 15.746 1.00 54.11 C ATOM 1248 NZ LYS A 89 47.053 0.912 14.351 1.00 31.24 N ATOM 0 H LYS A 89 43.304 -4.794 14.542 1.00 52.04 H new ATOM 0 HA LYS A 89 45.749 -3.556 13.417 1.00 35.05 H new ATOM 0 HB2 LYS A 89 44.260 -3.066 15.928 1.00 30.54 H new ATOM 0 HB3 LYS A 89 45.969 -3.369 16.171 1.00 30.54 H new ATOM 0 HG2 LYS A 89 45.807 -1.566 13.986 1.00 31.31 H new ATOM 0 HG3 LYS A 89 44.652 -0.988 15.171 1.00 31.31 H new ATOM 0 HD2 LYS A 89 46.543 -1.302 16.918 1.00 14.00 H new ATOM 0 HD3 LYS A 89 47.624 -1.467 15.549 1.00 14.00 H new ATOM 0 HE2 LYS A 89 45.805 0.921 16.063 1.00 54.11 H new ATOM 0 HE3 LYS A 89 47.520 0.869 16.417 1.00 54.11 H new ATOM 0 HZ1 LYS A 89 47.144 1.947 14.317 1.00 31.24 H new ATOM 0 HZ2 LYS A 89 47.944 0.476 14.039 1.00 31.24 H new ATOM 0 HZ3 LYS A 89 46.281 0.611 13.722 1.00 31.24 H new ATOM 1262 N VAL A 90 46.955 -5.663 13.845 1.00 44.32 N ATOM 1263 CA VAL A 90 47.735 -6.868 14.102 1.00 11.42 C ATOM 1264 C VAL A 90 49.120 -6.522 14.637 1.00 20.24 C ATOM 1265 O VAL A 90 49.984 -6.050 13.898 1.00 63.11 O ATOM 1266 CB VAL A 90 47.887 -7.721 12.829 1.00 53.43 C ATOM 1267 CG1 VAL A 90 48.741 -8.948 13.107 1.00 73.23 C ATOM 1268 CG2 VAL A 90 46.521 -8.121 12.291 1.00 65.44 C ATOM 0 H VAL A 90 47.242 -5.144 13.015 1.00 44.32 H new ATOM 0 HA VAL A 90 47.192 -7.443 14.852 1.00 11.42 H new ATOM 0 HB VAL A 90 48.391 -7.123 12.069 1.00 53.43 H new ATOM 0 HG11 VAL A 90 48.837 -9.538 12.196 1.00 73.23 H new ATOM 0 HG12 VAL A 90 49.730 -8.635 13.442 1.00 73.23 H new ATOM 0 HG13 VAL A 90 48.269 -9.552 13.882 1.00 73.23 H new ATOM 0 HG21 VAL A 90 46.646 -8.723 11.391 1.00 65.44 H new ATOM 0 HG22 VAL A 90 45.989 -8.701 13.045 1.00 65.44 H new ATOM 0 HG23 VAL A 90 45.948 -7.225 12.051 1.00 65.44 H new ATOM 1278 N THR A 91 49.326 -6.761 15.929 1.00 60.11 N ATOM 1279 CA THR A 91 50.606 -6.475 16.564 1.00 30.04 C ATOM 1280 C THR A 91 51.256 -7.750 17.090 1.00 41.22 C ATOM 1281 O THR A 91 50.570 -8.667 17.538 1.00 35.50 O ATOM 1282 CB THR A 91 50.445 -5.477 17.727 1.00 23.51 C ATOM 1283 OG1 THR A 91 49.205 -5.709 18.403 1.00 14.03 O ATOM 1284 CG2 THR A 91 50.493 -4.044 17.221 1.00 51.15 C ATOM 0 H THR A 91 48.622 -7.152 16.555 1.00 60.11 H new ATOM 0 HA THR A 91 51.246 -6.033 15.801 1.00 30.04 H new ATOM 0 HB THR A 91 51.271 -5.627 18.423 1.00 23.51 H new ATOM 0 HG1 THR A 91 49.111 -5.072 19.142 1.00 14.03 H new ATOM 0 HG21 THR A 91 50.377 -3.358 18.060 1.00 51.15 H new ATOM 0 HG22 THR A 91 51.451 -3.862 16.733 1.00 51.15 H new ATOM 0 HG23 THR A 91 49.686 -3.883 16.507 1.00 51.15 H new ATOM 1292 N GLN A 92 52.583 -7.799 17.032 1.00 60.12 N ATOM 1293 CA GLN A 92 53.325 -8.963 17.502 1.00 1.34 C ATOM 1294 C GLN A 92 54.144 -8.621 18.743 1.00 33.00 C ATOM 1295 O GLN A 92 54.497 -9.501 19.529 1.00 73.32 O ATOM 1296 CB GLN A 92 54.245 -9.488 16.399 1.00 73.02 C ATOM 1297 CG GLN A 92 55.344 -8.514 16.008 1.00 41.42 C ATOM 1298 CD GLN A 92 56.731 -9.104 16.167 1.00 61.31 C ATOM 1299 OE1 GLN A 92 57.310 -9.626 15.213 1.00 14.31 O ATOM 1300 NE2 GLN A 92 57.273 -9.025 17.377 1.00 63.45 N ATOM 0 H GLN A 92 53.166 -7.047 16.665 1.00 60.12 H new ATOM 0 HA GLN A 92 52.606 -9.739 17.765 1.00 1.34 H new ATOM 0 HB2 GLN A 92 54.700 -10.422 16.730 1.00 73.02 H new ATOM 0 HB3 GLN A 92 53.646 -9.720 15.518 1.00 73.02 H new ATOM 0 HG2 GLN A 92 55.201 -8.207 14.972 1.00 41.42 H new ATOM 0 HG3 GLN A 92 55.263 -7.616 16.620 1.00 41.42 H new ATOM 0 HE21 GLN A 92 56.758 -8.584 18.139 1.00 63.45 H new ATOM 0 HE22 GLN A 92 58.205 -9.405 17.544 1.00 63.45 H new