USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 816 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 29 TYR OH : rot 166:sc= 1.15 USER MOD Set 1.2: A 97 THR OG1 : rot 126:sc= 1.59 USER MOD Set 2.1: A 54 SER OG : rot -30:sc= -1.06 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.355 K(o=-1.4,f=-2.2) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.0795 K(o=0.079,f=-4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.241 K(o=-0.24,f=-6.7!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.159 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.559 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.413 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 77:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.521 USER MOD Single : A 80 ASN : amide:sc= -1.12 K(o=-1.1,f=-6.1!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -130:sc= -0.916 USER MOD Single : A 89 HIS : +bothHN:sc= 0.632 K(o=0.63,f=-4.4!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 14.694 -2.232 3.888 1.00 33.31 N ATOM 64 CA VAL A 7 15.335 -3.540 3.839 1.00 51.31 C ATOM 65 C VAL A 7 14.663 -4.519 4.795 1.00 52.33 C ATOM 66 O VAL A 7 13.953 -5.432 4.368 1.00 31.25 O ATOM 67 CB VAL A 7 16.832 -3.444 4.188 1.00 21.41 C ATOM 68 CG1 VAL A 7 17.475 -4.822 4.160 1.00 25.05 C ATOM 69 CG2 VAL A 7 17.542 -2.496 3.233 1.00 32.35 C ATOM 0 HA VAL A 7 15.230 -3.906 2.818 1.00 51.31 H new ATOM 0 HB VAL A 7 16.928 -3.045 5.198 1.00 21.41 H new ATOM 0 HG11 VAL A 7 18.533 -4.735 4.409 1.00 25.05 H new ATOM 0 HG12 VAL A 7 16.983 -5.468 4.887 1.00 25.05 H new ATOM 0 HG13 VAL A 7 17.371 -5.252 3.164 1.00 25.05 H new ATOM 0 HG21 VAL A 7 18.599 -2.440 3.494 1.00 32.35 H new ATOM 0 HG22 VAL A 7 17.440 -2.864 2.212 1.00 32.35 H new ATOM 0 HG23 VAL A 7 17.097 -1.504 3.307 1.00 32.35 H new ATOM 79 N LEU A 8 14.889 -4.323 6.089 1.00 64.24 N ATOM 80 CA LEU A 8 14.305 -5.189 7.107 1.00 71.31 C ATOM 81 C LEU A 8 13.179 -4.475 7.848 1.00 0.54 C ATOM 82 O LEU A 8 13.362 -3.370 8.359 1.00 34.21 O ATOM 83 CB LEU A 8 15.378 -5.640 8.099 1.00 51.02 C ATOM 84 CG LEU A 8 16.459 -6.568 7.543 1.00 41.55 C ATOM 85 CD1 LEU A 8 17.402 -7.013 8.650 1.00 42.43 C ATOM 86 CD2 LEU A 8 15.827 -7.773 6.862 1.00 54.32 C ATOM 0 H LEU A 8 15.472 -3.572 6.458 1.00 64.24 H new ATOM 0 HA LEU A 8 13.890 -6.065 6.609 1.00 71.31 H new ATOM 0 HB2 LEU A 8 15.863 -4.753 8.507 1.00 51.02 H new ATOM 0 HB3 LEU A 8 14.886 -6.145 8.931 1.00 51.02 H new ATOM 0 HG LEU A 8 17.038 -6.018 6.801 1.00 41.55 H new ATOM 0 HD11 LEU A 8 18.164 -7.673 8.235 1.00 42.43 H new ATOM 0 HD12 LEU A 8 17.880 -6.140 9.094 1.00 42.43 H new ATOM 0 HD13 LEU A 8 16.838 -7.546 9.416 1.00 42.43 H new ATOM 0 HD21 LEU A 8 16.610 -8.423 6.472 1.00 54.32 H new ATOM 0 HD22 LEU A 8 15.224 -8.324 7.584 1.00 54.32 H new ATOM 0 HD23 LEU A 8 15.193 -7.436 6.042 1.00 54.32 H new ATOM 98 N SER A 9 12.015 -5.114 7.904 1.00 11.21 N ATOM 99 CA SER A 9 10.859 -4.539 8.582 1.00 1.42 C ATOM 100 C SER A 9 11.017 -4.629 10.096 1.00 34.54 C ATOM 101 O SER A 9 12.019 -5.136 10.599 1.00 2.41 O ATOM 102 CB SER A 9 9.579 -5.255 8.148 1.00 55.03 C ATOM 103 OG SER A 9 9.275 -6.330 9.019 1.00 32.43 O ATOM 0 H SER A 9 11.847 -6.030 7.488 1.00 11.21 H new ATOM 0 HA SER A 9 10.791 -3.487 8.303 1.00 1.42 H new ATOM 0 HB2 SER A 9 8.750 -4.548 8.135 1.00 55.03 H new ATOM 0 HB3 SER A 9 9.695 -5.629 7.131 1.00 55.03 H new ATOM 0 HG SER A 9 8.452 -6.770 8.721 1.00 32.43 H new ATOM 109 N GLY A 10 10.019 -4.132 10.820 1.00 54.14 N ATOM 110 CA GLY A 10 10.064 -4.164 12.270 1.00 42.11 C ATOM 111 C GLY A 10 10.377 -5.547 12.809 1.00 74.34 C ATOM 112 O GLY A 10 11.233 -5.703 13.678 1.00 51.41 O ATOM 0 H GLY A 10 9.179 -3.707 10.427 1.00 54.14 H new ATOM 0 HA2 GLY A 10 10.818 -3.460 12.623 1.00 42.11 H new ATOM 0 HA3 GLY A 10 9.106 -3.830 12.668 1.00 42.11 H new ATOM 116 N GLY A 11 9.677 -6.553 12.293 1.00 11.22 N ATOM 117 CA GLY A 11 9.898 -7.916 12.741 1.00 50.21 C ATOM 118 C GLY A 11 11.289 -8.418 12.410 1.00 11.45 C ATOM 119 O GLY A 11 11.989 -8.942 13.276 1.00 43.53 O ATOM 0 H GLY A 11 8.962 -6.449 11.574 1.00 11.22 H new ATOM 0 HA2 GLY A 11 9.743 -7.970 13.818 1.00 50.21 H new ATOM 0 HA3 GLY A 11 9.159 -8.571 12.279 1.00 50.21 H new ATOM 123 N GLU A 12 11.692 -8.257 11.153 1.00 72.13 N ATOM 124 CA GLU A 12 13.008 -8.700 10.710 1.00 60.21 C ATOM 125 C GLU A 12 14.112 -7.985 11.484 1.00 31.34 C ATOM 126 O GLU A 12 15.147 -8.574 11.797 1.00 33.45 O ATOM 127 CB GLU A 12 13.177 -8.449 9.211 1.00 1.31 C ATOM 128 CG GLU A 12 11.993 -8.909 8.379 1.00 42.34 C ATOM 129 CD GLU A 12 12.244 -8.788 6.888 1.00 20.13 C ATOM 130 OE1 GLU A 12 12.243 -7.648 6.378 1.00 11.35 O ATOM 131 OE2 GLU A 12 12.441 -9.831 6.232 1.00 42.40 O ATOM 0 H GLU A 12 11.126 -7.823 10.424 1.00 72.13 H new ATOM 0 HA GLU A 12 13.087 -9.770 10.903 1.00 60.21 H new ATOM 0 HB2 GLU A 12 13.334 -7.383 9.045 1.00 1.31 H new ATOM 0 HB3 GLU A 12 14.075 -8.961 8.864 1.00 1.31 H new ATOM 0 HG2 GLU A 12 11.765 -9.947 8.622 1.00 42.34 H new ATOM 0 HG3 GLU A 12 11.116 -8.319 8.645 1.00 42.34 H new ATOM 138 N LEU A 13 13.883 -6.713 11.790 1.00 31.32 N ATOM 139 CA LEU A 13 14.857 -5.916 12.528 1.00 52.10 C ATOM 140 C LEU A 13 15.057 -6.466 13.936 1.00 64.12 C ATOM 141 O LEU A 13 16.183 -6.551 14.426 1.00 42.42 O ATOM 142 CB LEU A 13 14.403 -4.456 12.598 1.00 10.10 C ATOM 143 CG LEU A 13 15.516 -3.410 12.655 1.00 35.42 C ATOM 144 CD1 LEU A 13 16.513 -3.751 13.752 1.00 14.21 C ATOM 145 CD2 LEU A 13 16.217 -3.301 11.309 1.00 71.31 C ATOM 0 H LEU A 13 13.031 -6.211 11.539 1.00 31.32 H new ATOM 0 HA LEU A 13 15.808 -5.970 11.999 1.00 52.10 H new ATOM 0 HB2 LEU A 13 13.780 -4.248 11.728 1.00 10.10 H new ATOM 0 HB3 LEU A 13 13.772 -4.334 13.478 1.00 10.10 H new ATOM 0 HG LEU A 13 15.068 -2.444 12.887 1.00 35.42 H new ATOM 0 HD11 LEU A 13 17.298 -2.995 13.778 1.00 14.21 H new ATOM 0 HD12 LEU A 13 16.001 -3.775 14.714 1.00 14.21 H new ATOM 0 HD13 LEU A 13 16.955 -4.727 13.551 1.00 14.21 H new ATOM 0 HD21 LEU A 13 17.006 -2.551 11.369 1.00 71.31 H new ATOM 0 HD22 LEU A 13 16.652 -4.265 11.046 1.00 71.31 H new ATOM 0 HD23 LEU A 13 15.496 -3.008 10.546 1.00 71.31 H new ATOM 157 N ASP A 14 13.958 -6.842 14.580 1.00 11.32 N ATOM 158 CA ASP A 14 14.013 -7.388 15.931 1.00 75.20 C ATOM 159 C ASP A 14 14.938 -8.599 15.991 1.00 52.31 C ATOM 160 O ASP A 14 15.787 -8.702 16.875 1.00 71.30 O ATOM 161 CB ASP A 14 12.611 -7.778 16.404 1.00 13.32 C ATOM 162 CG ASP A 14 12.329 -7.320 17.822 1.00 1.30 C ATOM 163 OD1 ASP A 14 12.200 -6.097 18.035 1.00 63.11 O ATOM 164 OD2 ASP A 14 12.241 -8.186 18.717 1.00 72.33 O ATOM 0 H ASP A 14 13.018 -6.779 14.189 1.00 11.32 H new ATOM 0 HA ASP A 14 14.410 -6.617 16.592 1.00 75.20 H new ATOM 0 HB2 ASP A 14 11.870 -7.345 15.732 1.00 13.32 H new ATOM 0 HB3 ASP A 14 12.499 -8.861 16.346 1.00 13.32 H new ATOM 169 N LYS A 15 14.766 -9.515 15.043 1.00 3.21 N ATOM 170 CA LYS A 15 15.585 -10.720 14.987 1.00 3.52 C ATOM 171 C LYS A 15 16.994 -10.398 14.496 1.00 51.11 C ATOM 172 O LYS A 15 17.977 -10.931 15.010 1.00 44.15 O ATOM 173 CB LYS A 15 14.939 -11.758 14.067 1.00 45.14 C ATOM 174 CG LYS A 15 13.470 -12.005 14.365 1.00 34.22 C ATOM 175 CD LYS A 15 12.906 -13.121 13.503 1.00 71.52 C ATOM 176 CE LYS A 15 12.316 -12.581 12.209 1.00 41.11 C ATOM 177 NZ LYS A 15 11.095 -13.329 11.801 1.00 54.33 N ATOM 0 H LYS A 15 14.067 -9.445 14.304 1.00 3.21 H new ATOM 0 HA LYS A 15 15.654 -11.129 15.995 1.00 3.52 H new ATOM 0 HB2 LYS A 15 15.041 -11.428 13.033 1.00 45.14 H new ATOM 0 HB3 LYS A 15 15.482 -12.699 14.156 1.00 45.14 H new ATOM 0 HG2 LYS A 15 13.349 -12.261 15.418 1.00 34.22 H new ATOM 0 HG3 LYS A 15 12.904 -11.090 14.193 1.00 34.22 H new ATOM 0 HD2 LYS A 15 13.694 -13.839 13.273 1.00 71.52 H new ATOM 0 HD3 LYS A 15 12.137 -13.658 14.058 1.00 71.52 H new ATOM 0 HE2 LYS A 15 12.071 -11.526 12.334 1.00 41.11 H new ATOM 0 HE3 LYS A 15 13.062 -12.643 11.416 1.00 41.11 H new ATOM 0 HZ1 LYS A 15 10.724 -12.930 10.915 1.00 54.33 H new ATOM 0 HZ2 LYS A 15 11.334 -14.331 11.657 1.00 54.33 H new ATOM 0 HZ3 LYS A 15 10.374 -13.249 12.546 1.00 54.33 H new ATOM 191 N TRP A 16 17.083 -9.522 13.502 1.00 3.10 N ATOM 192 CA TRP A 16 18.372 -9.128 12.944 1.00 43.32 C ATOM 193 C TRP A 16 19.315 -8.646 14.040 1.00 35.22 C ATOM 194 O TRP A 16 20.509 -8.944 14.019 1.00 72.33 O ATOM 195 CB TRP A 16 18.182 -8.031 11.896 1.00 2.14 C ATOM 196 CG TRP A 16 19.474 -7.441 11.415 1.00 52.01 C ATOM 197 CD1 TRP A 16 20.114 -6.346 11.922 1.00 72.05 C ATOM 198 CD2 TRP A 16 20.280 -7.912 10.330 1.00 41.13 C ATOM 199 NE1 TRP A 16 21.269 -6.109 11.217 1.00 15.22 N ATOM 200 CE2 TRP A 16 21.394 -7.056 10.236 1.00 12.13 C ATOM 201 CE3 TRP A 16 20.170 -8.976 9.429 1.00 31.34 C ATOM 202 CZ2 TRP A 16 22.389 -7.232 9.278 1.00 11.52 C ATOM 203 CZ3 TRP A 16 21.158 -9.149 8.478 1.00 32.42 C ATOM 204 CH2 TRP A 16 22.256 -8.281 8.409 1.00 74.12 C ATOM 0 H TRP A 16 16.279 -9.071 13.066 1.00 3.10 H new ATOM 0 HA TRP A 16 18.817 -10.002 12.468 1.00 43.32 H new ATOM 0 HB2 TRP A 16 17.639 -8.441 11.045 1.00 2.14 H new ATOM 0 HB3 TRP A 16 17.563 -7.239 12.317 1.00 2.14 H new ATOM 0 HD1 TRP A 16 19.764 -5.754 12.754 1.00 72.05 H new ATOM 0 HE1 TRP A 16 21.927 -5.350 11.395 1.00 15.22 H new ATOM 0 HE3 TRP A 16 19.328 -9.651 9.475 1.00 31.34 H new ATOM 0 HZ2 TRP A 16 23.236 -6.564 9.223 1.00 11.52 H new ATOM 0 HZ3 TRP A 16 21.083 -9.967 7.776 1.00 32.42 H new ATOM 0 HH2 TRP A 16 23.012 -8.443 7.655 1.00 74.12 H new ATOM 215 N GLU A 17 18.771 -7.898 14.995 1.00 23.33 N ATOM 216 CA GLU A 17 19.567 -7.375 16.100 1.00 11.11 C ATOM 217 C GLU A 17 20.020 -8.499 17.026 1.00 63.13 C ATOM 218 O GLU A 17 21.034 -8.383 17.714 1.00 4.43 O ATOM 219 CB GLU A 17 18.763 -6.340 16.891 1.00 43.11 C ATOM 220 CG GLU A 17 18.794 -4.948 16.281 1.00 65.30 C ATOM 221 CD GLU A 17 18.449 -3.865 17.284 1.00 31.12 C ATOM 222 OE1 GLU A 17 17.753 -4.174 18.274 1.00 13.35 O ATOM 223 OE2 GLU A 17 18.875 -2.709 17.079 1.00 40.55 O ATOM 0 H GLU A 17 17.784 -7.641 15.026 1.00 23.33 H new ATOM 0 HA GLU A 17 20.452 -6.896 15.681 1.00 11.11 H new ATOM 0 HB2 GLU A 17 17.728 -6.673 16.962 1.00 43.11 H new ATOM 0 HB3 GLU A 17 19.152 -6.290 17.908 1.00 43.11 H new ATOM 0 HG2 GLU A 17 19.786 -4.757 15.872 1.00 65.30 H new ATOM 0 HG3 GLU A 17 18.092 -4.904 15.448 1.00 65.30 H new ATOM 230 N LYS A 18 19.259 -9.589 17.039 1.00 3.25 N ATOM 231 CA LYS A 18 19.581 -10.737 17.880 1.00 14.55 C ATOM 232 C LYS A 18 20.681 -11.584 17.246 1.00 52.25 C ATOM 233 O LYS A 18 21.584 -12.060 17.933 1.00 74.31 O ATOM 234 CB LYS A 18 18.333 -11.591 18.111 1.00 42.35 C ATOM 235 CG LYS A 18 17.778 -11.488 19.521 1.00 12.41 C ATOM 236 CD LYS A 18 18.480 -12.446 20.468 1.00 32.42 C ATOM 237 CE LYS A 18 18.331 -12.006 21.917 1.00 41.34 C ATOM 238 NZ LYS A 18 19.161 -12.834 22.836 1.00 52.14 N ATOM 0 H LYS A 18 18.415 -9.702 16.477 1.00 3.25 H new ATOM 0 HA LYS A 18 19.941 -10.365 18.839 1.00 14.55 H new ATOM 0 HB2 LYS A 18 17.561 -11.290 17.403 1.00 42.35 H new ATOM 0 HB3 LYS A 18 18.572 -12.633 17.899 1.00 42.35 H new ATOM 0 HG2 LYS A 18 17.893 -10.467 19.884 1.00 12.41 H new ATOM 0 HG3 LYS A 18 16.710 -11.704 19.509 1.00 12.41 H new ATOM 0 HD2 LYS A 18 18.067 -13.447 20.346 1.00 32.42 H new ATOM 0 HD3 LYS A 18 19.538 -12.504 20.211 1.00 32.42 H new ATOM 0 HE2 LYS A 18 18.620 -10.959 22.010 1.00 41.34 H new ATOM 0 HE3 LYS A 18 17.284 -12.075 22.212 1.00 41.34 H new ATOM 0 HZ1 LYS A 18 19.032 -12.503 23.813 1.00 52.14 H new ATOM 0 HZ2 LYS A 18 18.868 -13.830 22.766 1.00 52.14 H new ATOM 0 HZ3 LYS A 18 20.163 -12.748 22.571 1.00 52.14 H new ATOM 252 N ILE A 19 20.596 -11.766 15.933 1.00 5.53 N ATOM 253 CA ILE A 19 21.586 -12.554 15.207 1.00 23.21 C ATOM 254 C ILE A 19 23.000 -12.061 15.496 1.00 52.52 C ATOM 255 O ILE A 19 23.266 -10.859 15.471 1.00 32.54 O ATOM 256 CB ILE A 19 21.338 -12.508 13.687 1.00 32.21 C ATOM 257 CG1 ILE A 19 19.934 -13.021 13.362 1.00 50.13 C ATOM 258 CG2 ILE A 19 22.391 -13.326 12.955 1.00 52.51 C ATOM 259 CD1 ILE A 19 19.454 -12.633 11.981 1.00 72.54 C ATOM 0 H ILE A 19 19.853 -11.380 15.350 1.00 5.53 H new ATOM 0 HA ILE A 19 21.485 -13.583 15.552 1.00 23.21 H new ATOM 0 HB ILE A 19 21.412 -11.474 13.352 1.00 32.21 H new ATOM 0 HG12 ILE A 19 19.924 -14.107 13.450 1.00 50.13 H new ATOM 0 HG13 ILE A 19 19.234 -12.635 14.103 1.00 50.13 H new ATOM 0 HG21 ILE A 19 22.203 -13.284 11.882 1.00 52.51 H new ATOM 0 HG22 ILE A 19 23.380 -12.919 13.166 1.00 52.51 H new ATOM 0 HG23 ILE A 19 22.346 -14.362 13.291 1.00 52.51 H new ATOM 0 HD11 ILE A 19 18.452 -13.030 11.819 1.00 72.54 H new ATOM 0 HD12 ILE A 19 19.432 -11.547 11.895 1.00 72.54 H new ATOM 0 HD13 ILE A 19 20.132 -13.042 11.232 1.00 72.54 H new ATOM 271 N ARG A 20 23.904 -12.997 15.765 1.00 63.05 N ATOM 272 CA ARG A 20 25.291 -12.658 16.057 1.00 2.15 C ATOM 273 C ARG A 20 26.148 -12.743 14.798 1.00 53.51 C ATOM 274 O ARG A 20 25.830 -13.482 13.866 1.00 41.45 O ATOM 275 CB ARG A 20 25.851 -13.592 17.132 1.00 4.53 C ATOM 276 CG ARG A 20 25.962 -12.946 18.503 1.00 4.34 C ATOM 277 CD ARG A 20 25.483 -13.884 19.600 1.00 2.52 C ATOM 278 NE ARG A 20 25.343 -13.198 20.882 1.00 52.13 N ATOM 279 CZ ARG A 20 25.194 -13.831 22.041 1.00 13.22 C ATOM 280 NH1 ARG A 20 25.169 -15.156 22.078 1.00 72.34 N ATOM 281 NH2 ARG A 20 25.073 -13.137 23.165 1.00 71.33 N ATOM 0 H ARG A 20 23.701 -13.996 15.787 1.00 63.05 H new ATOM 0 HA ARG A 20 25.318 -11.633 16.426 1.00 2.15 H new ATOM 0 HB2 ARG A 20 25.212 -14.472 17.205 1.00 4.53 H new ATOM 0 HB3 ARG A 20 26.837 -13.939 16.822 1.00 4.53 H new ATOM 0 HG2 ARG A 20 26.998 -12.663 18.691 1.00 4.34 H new ATOM 0 HG3 ARG A 20 25.373 -12.029 18.523 1.00 4.34 H new ATOM 0 HD2 ARG A 20 24.525 -14.317 19.314 1.00 2.52 H new ATOM 0 HD3 ARG A 20 26.187 -14.709 19.705 1.00 2.52 H new ATOM 0 HE ARG A 20 25.361 -12.178 20.888 1.00 52.13 H new ATOM 0 HH11 ARG A 20 25.264 -15.692 21.216 1.00 72.34 H new ATOM 0 HH12 ARG A 20 25.055 -15.639 22.969 1.00 72.34 H new ATOM 0 HH21 ARG A 20 25.094 -12.118 23.140 1.00 71.33 H new ATOM 0 HH22 ARG A 20 24.959 -13.623 24.055 1.00 71.33 H new ATOM 295 N LEU A 21 27.236 -11.980 14.776 1.00 72.41 N ATOM 296 CA LEU A 21 28.139 -11.968 13.631 1.00 13.30 C ATOM 297 C LEU A 21 28.862 -13.304 13.492 1.00 12.14 C ATOM 298 O LEU A 21 29.127 -13.765 12.383 1.00 41.24 O ATOM 299 CB LEU A 21 29.158 -10.835 13.772 1.00 22.14 C ATOM 300 CG LEU A 21 28.614 -9.417 13.597 1.00 31.22 C ATOM 301 CD1 LEU A 21 29.701 -8.390 13.874 1.00 25.21 C ATOM 302 CD2 LEU A 21 28.047 -9.232 12.197 1.00 32.13 C ATOM 0 H LEU A 21 27.514 -11.362 15.538 1.00 72.41 H new ATOM 0 HA LEU A 21 27.544 -11.804 12.733 1.00 13.30 H new ATOM 0 HB2 LEU A 21 29.617 -10.907 14.758 1.00 22.14 H new ATOM 0 HB3 LEU A 21 29.949 -10.992 13.039 1.00 22.14 H new ATOM 0 HG LEU A 21 27.809 -9.266 14.316 1.00 31.22 H new ATOM 0 HD11 LEU A 21 29.295 -7.387 13.744 1.00 25.21 H new ATOM 0 HD12 LEU A 21 30.060 -8.507 14.897 1.00 25.21 H new ATOM 0 HD13 LEU A 21 30.528 -8.539 13.180 1.00 25.21 H new ATOM 0 HD21 LEU A 21 27.664 -8.217 12.091 1.00 32.13 H new ATOM 0 HD22 LEU A 21 28.832 -9.403 11.461 1.00 32.13 H new ATOM 0 HD23 LEU A 21 27.237 -9.944 12.035 1.00 32.13 H new ATOM 314 N ARG A 22 29.177 -13.920 14.628 1.00 50.53 N ATOM 315 CA ARG A 22 29.868 -15.204 14.633 1.00 14.51 C ATOM 316 C ARG A 22 29.201 -16.176 15.601 1.00 34.14 C ATOM 317 O ARG A 22 28.471 -15.781 16.511 1.00 43.24 O ATOM 318 CB ARG A 22 31.337 -15.014 15.014 1.00 20.31 C ATOM 319 CG ARG A 22 32.296 -15.175 13.846 1.00 22.13 C ATOM 320 CD ARG A 22 33.446 -14.184 13.928 1.00 11.24 C ATOM 321 NE ARG A 22 34.615 -14.755 14.591 1.00 41.31 N ATOM 322 CZ ARG A 22 35.369 -15.709 14.056 1.00 52.41 C ATOM 323 NH1 ARG A 22 35.079 -16.195 12.858 1.00 40.35 N ATOM 324 NH2 ARG A 22 36.417 -16.178 14.720 1.00 32.54 N ATOM 0 H ARG A 22 28.965 -13.551 15.555 1.00 50.53 H new ATOM 0 HA ARG A 22 29.812 -15.623 13.629 1.00 14.51 H new ATOM 0 HB2 ARG A 22 31.466 -14.021 15.445 1.00 20.31 H new ATOM 0 HB3 ARG A 22 31.598 -15.734 15.789 1.00 20.31 H new ATOM 0 HG2 ARG A 22 32.690 -16.191 13.835 1.00 22.13 H new ATOM 0 HG3 ARG A 22 31.757 -15.032 12.909 1.00 22.13 H new ATOM 0 HD2 ARG A 22 33.720 -13.863 12.923 1.00 11.24 H new ATOM 0 HD3 ARG A 22 33.121 -13.295 14.469 1.00 11.24 H new ATOM 0 HE ARG A 22 34.866 -14.402 15.515 1.00 41.31 H new ATOM 0 HH11 ARG A 22 34.275 -15.837 12.343 1.00 40.35 H new ATOM 0 HH12 ARG A 22 35.660 -16.927 12.450 1.00 40.35 H new ATOM 0 HH21 ARG A 22 36.645 -15.806 15.642 1.00 32.54 H new ATOM 0 HH22 ARG A 22 36.995 -16.910 14.308 1.00 32.54 H new ATOM 338 N PRO A 23 29.456 -17.477 15.403 1.00 44.22 N ATOM 339 CA PRO A 23 28.891 -18.533 16.248 1.00 42.21 C ATOM 340 C PRO A 23 29.483 -18.530 17.653 1.00 4.43 C ATOM 341 O PRO A 23 28.803 -18.856 18.625 1.00 34.32 O ATOM 342 CB PRO A 23 29.270 -19.820 15.510 1.00 71.21 C ATOM 343 CG PRO A 23 30.484 -19.462 14.726 1.00 4.24 C ATOM 344 CD PRO A 23 30.317 -18.019 14.338 1.00 11.43 C ATOM 0 HA PRO A 23 27.818 -18.409 16.392 1.00 42.21 H new ATOM 0 HB2 PRO A 23 29.475 -20.631 16.208 1.00 71.21 H new ATOM 0 HB3 PRO A 23 28.463 -20.156 14.859 1.00 71.21 H new ATOM 0 HG2 PRO A 23 31.387 -19.604 15.319 1.00 4.24 H new ATOM 0 HG3 PRO A 23 30.579 -20.095 13.844 1.00 4.24 H new ATOM 0 HD2 PRO A 23 31.275 -17.501 14.293 1.00 11.43 H new ATOM 0 HD3 PRO A 23 29.854 -17.918 13.356 1.00 11.43 H new ATOM 352 N GLY A 24 30.756 -18.160 17.753 1.00 4.25 N ATOM 353 CA GLY A 24 31.419 -18.122 19.044 1.00 65.20 C ATOM 354 C GLY A 24 31.725 -16.708 19.497 1.00 45.31 C ATOM 355 O GLY A 24 32.575 -16.496 20.361 1.00 2.40 O ATOM 0 H GLY A 24 31.340 -17.886 16.963 1.00 4.25 H new ATOM 0 HA2 GLY A 24 30.789 -18.610 19.787 1.00 65.20 H new ATOM 0 HA3 GLY A 24 32.347 -18.692 18.990 1.00 65.20 H new ATOM 359 N GLY A 25 31.031 -15.737 18.911 1.00 42.32 N ATOM 360 CA GLY A 25 31.249 -14.348 19.271 1.00 71.10 C ATOM 361 C GLY A 25 30.051 -13.736 19.971 1.00 61.22 C ATOM 362 O GLY A 25 28.973 -14.329 20.006 1.00 21.40 O ATOM 0 H GLY A 25 30.322 -15.887 18.194 1.00 42.32 H new ATOM 0 HA2 GLY A 25 32.121 -14.277 19.921 1.00 71.10 H new ATOM 0 HA3 GLY A 25 31.473 -13.774 18.372 1.00 71.10 H new ATOM 366 N LYS A 26 30.240 -12.547 20.531 1.00 54.42 N ATOM 367 CA LYS A 26 29.168 -11.853 21.233 1.00 34.41 C ATOM 368 C LYS A 26 28.642 -10.683 20.407 1.00 24.20 C ATOM 369 O LYS A 26 27.489 -10.276 20.551 1.00 34.22 O ATOM 370 CB LYS A 26 29.662 -11.349 22.592 1.00 2.23 C ATOM 371 CG LYS A 26 30.580 -10.142 22.496 1.00 61.15 C ATOM 372 CD LYS A 26 31.635 -10.156 23.588 1.00 12.04 C ATOM 373 CE LYS A 26 32.851 -10.973 23.178 1.00 73.21 C ATOM 374 NZ LYS A 26 34.074 -10.560 23.920 1.00 32.31 N ATOM 0 H LYS A 26 31.127 -12.043 20.512 1.00 54.42 H new ATOM 0 HA LYS A 26 28.353 -12.561 21.388 1.00 34.41 H new ATOM 0 HB2 LYS A 26 28.801 -11.092 23.210 1.00 2.23 H new ATOM 0 HB3 LYS A 26 30.189 -12.157 23.100 1.00 2.23 H new ATOM 0 HG2 LYS A 26 31.065 -10.130 21.520 1.00 61.15 H new ATOM 0 HG3 LYS A 26 29.990 -9.228 22.570 1.00 61.15 H new ATOM 0 HD2 LYS A 26 31.941 -9.134 23.813 1.00 12.04 H new ATOM 0 HD3 LYS A 26 31.209 -10.570 24.502 1.00 12.04 H new ATOM 0 HE2 LYS A 26 32.656 -12.030 23.359 1.00 73.21 H new ATOM 0 HE3 LYS A 26 33.020 -10.859 22.107 1.00 73.21 H new ATOM 0 HZ1 LYS A 26 34.880 -11.141 23.612 1.00 32.31 H new ATOM 0 HZ2 LYS A 26 34.275 -9.558 23.727 1.00 32.31 H new ATOM 0 HZ3 LYS A 26 33.922 -10.692 24.940 1.00 32.31 H new ATOM 388 N LYS A 27 29.494 -10.148 19.539 1.00 35.14 N ATOM 389 CA LYS A 27 29.116 -9.027 18.687 1.00 62.34 C ATOM 390 C LYS A 27 27.826 -9.330 17.931 1.00 2.52 C ATOM 391 O LYS A 27 27.814 -10.151 17.013 1.00 33.01 O ATOM 392 CB LYS A 27 30.239 -8.712 17.696 1.00 31.41 C ATOM 393 CG LYS A 27 30.623 -7.243 17.661 1.00 2.25 C ATOM 394 CD LYS A 27 31.169 -6.841 16.300 1.00 74.44 C ATOM 395 CE LYS A 27 32.087 -5.633 16.402 1.00 34.51 C ATOM 396 NZ LYS A 27 32.113 -4.848 15.137 1.00 44.15 N ATOM 0 H LYS A 27 30.452 -10.473 19.407 1.00 35.14 H new ATOM 0 HA LYS A 27 28.948 -8.159 19.324 1.00 62.34 H new ATOM 0 HB2 LYS A 27 31.118 -9.303 17.955 1.00 31.41 H new ATOM 0 HB3 LYS A 27 29.929 -9.022 16.698 1.00 31.41 H new ATOM 0 HG2 LYS A 27 29.752 -6.633 17.899 1.00 2.25 H new ATOM 0 HG3 LYS A 27 31.372 -7.043 18.428 1.00 2.25 H new ATOM 0 HD2 LYS A 27 31.715 -7.678 15.864 1.00 74.44 H new ATOM 0 HD3 LYS A 27 30.342 -6.615 15.627 1.00 74.44 H new ATOM 0 HE2 LYS A 27 31.756 -4.993 17.220 1.00 34.51 H new ATOM 0 HE3 LYS A 27 33.097 -5.964 16.645 1.00 34.51 H new ATOM 0 HZ1 LYS A 27 32.750 -4.033 15.247 1.00 44.15 H new ATOM 0 HZ2 LYS A 27 32.453 -5.451 14.361 1.00 44.15 H new ATOM 0 HZ3 LYS A 27 31.154 -4.511 14.918 1.00 44.15 H new ATOM 410 N GLN A 28 26.746 -8.662 18.320 1.00 41.13 N ATOM 411 CA GLN A 28 25.452 -8.861 17.677 1.00 11.03 C ATOM 412 C GLN A 28 25.344 -8.028 16.404 1.00 73.33 C ATOM 413 O GLN A 28 26.157 -7.135 16.163 1.00 25.13 O ATOM 414 CB GLN A 28 24.320 -8.495 18.639 1.00 52.42 C ATOM 415 CG GLN A 28 24.507 -9.054 20.040 1.00 11.31 C ATOM 416 CD GLN A 28 25.179 -8.069 20.976 1.00 72.35 C ATOM 417 OE1 GLN A 28 26.400 -7.919 20.967 1.00 4.31 O ATOM 418 NE2 GLN A 28 24.380 -7.390 21.792 1.00 40.32 N ATOM 0 H GLN A 28 26.740 -7.978 19.077 1.00 41.13 H new ATOM 0 HA GLN A 28 25.365 -9.914 17.409 1.00 11.03 H new ATOM 0 HB2 GLN A 28 24.241 -7.409 18.698 1.00 52.42 H new ATOM 0 HB3 GLN A 28 23.377 -8.862 18.233 1.00 52.42 H new ATOM 0 HG2 GLN A 28 23.536 -9.333 20.448 1.00 11.31 H new ATOM 0 HG3 GLN A 28 25.104 -9.964 19.987 1.00 11.31 H new ATOM 0 HE21 GLN A 28 23.372 -7.546 21.766 1.00 40.32 H new ATOM 0 HE22 GLN A 28 24.774 -6.713 22.445 1.00 40.32 H new ATOM 427 N TYR A 29 24.335 -8.325 15.593 1.00 60.03 N ATOM 428 CA TYR A 29 24.121 -7.605 14.343 1.00 11.32 C ATOM 429 C TYR A 29 23.408 -6.280 14.592 1.00 60.32 C ATOM 430 O TYR A 29 22.609 -6.155 15.521 1.00 24.04 O ATOM 431 CB TYR A 29 23.308 -8.460 13.371 1.00 41.44 C ATOM 432 CG TYR A 29 24.148 -9.139 12.312 1.00 73.21 C ATOM 433 CD1 TYR A 29 24.631 -8.428 11.220 1.00 24.54 C ATOM 434 CD2 TYR A 29 24.455 -10.490 12.404 1.00 4.33 C ATOM 435 CE1 TYR A 29 25.399 -9.045 10.251 1.00 61.43 C ATOM 436 CE2 TYR A 29 25.223 -11.115 11.439 1.00 30.33 C ATOM 437 CZ TYR A 29 25.692 -10.388 10.365 1.00 10.12 C ATOM 438 OH TYR A 29 26.457 -11.006 9.402 1.00 74.23 O ATOM 0 H TYR A 29 23.652 -9.060 15.779 1.00 60.03 H new ATOM 0 HA TYR A 29 25.096 -7.394 13.903 1.00 11.32 H new ATOM 0 HB2 TYR A 29 22.766 -9.219 13.934 1.00 41.44 H new ATOM 0 HB3 TYR A 29 22.563 -7.832 12.884 1.00 41.44 H new ATOM 0 HD1 TYR A 29 24.402 -7.377 11.127 1.00 24.54 H new ATOM 0 HD2 TYR A 29 24.088 -11.062 13.243 1.00 4.33 H new ATOM 0 HE1 TYR A 29 25.768 -8.479 9.409 1.00 61.43 H new ATOM 0 HE2 TYR A 29 25.454 -12.166 11.526 1.00 30.33 H new ATOM 0 HH TYR A 29 26.760 -11.877 9.734 1.00 74.23 H new ATOM 448 N LYS A 30 23.701 -5.290 13.755 1.00 23.00 N ATOM 449 CA LYS A 30 23.088 -3.974 13.881 1.00 50.11 C ATOM 450 C LYS A 30 22.896 -3.330 12.512 1.00 40.43 C ATOM 451 O LYS A 30 23.478 -3.771 11.520 1.00 72.31 O ATOM 452 CB LYS A 30 23.950 -3.069 14.766 1.00 42.32 C ATOM 453 CG LYS A 30 23.142 -2.133 15.647 1.00 24.11 C ATOM 454 CD LYS A 30 23.558 -2.242 17.105 1.00 44.41 C ATOM 455 CE LYS A 30 24.804 -1.419 17.392 1.00 33.13 C ATOM 456 NZ LYS A 30 24.466 -0.053 17.878 1.00 33.25 N ATOM 0 H LYS A 30 24.360 -5.375 12.981 1.00 23.00 H new ATOM 0 HA LYS A 30 22.109 -4.100 14.345 1.00 50.11 H new ATOM 0 HB2 LYS A 30 24.585 -3.690 15.397 1.00 42.32 H new ATOM 0 HB3 LYS A 30 24.611 -2.478 14.132 1.00 42.32 H new ATOM 0 HG2 LYS A 30 23.274 -1.106 15.306 1.00 24.11 H new ATOM 0 HG3 LYS A 30 22.082 -2.367 15.552 1.00 24.11 H new ATOM 0 HD2 LYS A 30 22.742 -1.903 17.744 1.00 44.41 H new ATOM 0 HD3 LYS A 30 23.745 -3.287 17.354 1.00 44.41 H new ATOM 0 HE2 LYS A 30 25.413 -1.930 18.138 1.00 33.13 H new ATOM 0 HE3 LYS A 30 25.406 -1.344 16.487 1.00 33.13 H new ATOM 0 HZ1 LYS A 30 25.342 0.476 18.062 1.00 33.25 H new ATOM 0 HZ2 LYS A 30 23.907 0.444 17.156 1.00 33.25 H new ATOM 0 HZ3 LYS A 30 23.913 -0.124 18.756 1.00 33.25 H new ATOM 470 N LEU A 31 22.077 -2.285 12.464 1.00 13.25 N ATOM 471 CA LEU A 31 21.809 -1.579 11.216 1.00 4.25 C ATOM 472 C LEU A 31 23.110 -1.180 10.527 1.00 14.33 C ATOM 473 O LEU A 31 23.177 -1.101 9.300 1.00 32.03 O ATOM 474 CB LEU A 31 20.958 -0.336 11.483 1.00 43.41 C ATOM 475 CG LEU A 31 19.986 0.062 10.371 1.00 63.23 C ATOM 476 CD1 LEU A 31 18.695 -0.734 10.480 1.00 62.41 C ATOM 477 CD2 LEU A 31 19.700 1.556 10.423 1.00 42.33 C ATOM 0 H LEU A 31 21.587 -1.908 13.275 1.00 13.25 H new ATOM 0 HA LEU A 31 21.261 -2.252 10.556 1.00 4.25 H new ATOM 0 HB2 LEU A 31 20.386 -0.501 12.396 1.00 43.41 H new ATOM 0 HB3 LEU A 31 21.626 0.504 11.672 1.00 43.41 H new ATOM 0 HG LEU A 31 20.449 -0.166 9.411 1.00 63.23 H new ATOM 0 HD11 LEU A 31 18.016 -0.437 9.681 1.00 62.41 H new ATOM 0 HD12 LEU A 31 18.915 -1.798 10.393 1.00 62.41 H new ATOM 0 HD13 LEU A 31 18.227 -0.538 11.445 1.00 62.41 H new ATOM 0 HD21 LEU A 31 19.007 1.822 9.625 1.00 42.33 H new ATOM 0 HD22 LEU A 31 19.258 1.808 11.387 1.00 42.33 H new ATOM 0 HD23 LEU A 31 20.630 2.109 10.295 1.00 42.33 H new ATOM 489 N LYS A 32 24.144 -0.930 11.324 1.00 14.52 N ATOM 490 CA LYS A 32 25.445 -0.542 10.792 1.00 62.33 C ATOM 491 C LYS A 32 25.911 -1.526 9.724 1.00 41.32 C ATOM 492 O LYS A 32 26.522 -1.134 8.729 1.00 24.24 O ATOM 493 CB LYS A 32 26.478 -0.469 11.918 1.00 35.20 C ATOM 494 CG LYS A 32 26.909 0.948 12.256 1.00 25.40 C ATOM 495 CD LYS A 32 26.031 1.555 13.337 1.00 60.12 C ATOM 496 CE LYS A 32 26.719 2.724 14.024 1.00 34.44 C ATOM 497 NZ LYS A 32 25.761 3.547 14.814 1.00 23.24 N ATOM 0 H LYS A 32 24.106 -0.989 12.342 1.00 14.52 H new ATOM 0 HA LYS A 32 25.344 0.443 10.335 1.00 62.33 H new ATOM 0 HB2 LYS A 32 26.064 -0.937 12.811 1.00 35.20 H new ATOM 0 HB3 LYS A 32 27.356 -1.049 11.633 1.00 35.20 H new ATOM 0 HG2 LYS A 32 27.947 0.944 12.589 1.00 25.40 H new ATOM 0 HG3 LYS A 32 26.864 1.567 11.360 1.00 25.40 H new ATOM 0 HD2 LYS A 32 25.092 1.892 12.898 1.00 60.12 H new ATOM 0 HD3 LYS A 32 25.782 0.793 14.076 1.00 60.12 H new ATOM 0 HE2 LYS A 32 27.503 2.348 14.682 1.00 34.44 H new ATOM 0 HE3 LYS A 32 27.204 3.350 13.275 1.00 34.44 H new ATOM 0 HZ1 LYS A 32 26.270 4.333 15.266 1.00 23.24 H new ATOM 0 HZ2 LYS A 32 25.027 3.927 14.183 1.00 23.24 H new ATOM 0 HZ3 LYS A 32 25.317 2.956 15.545 1.00 23.24 H new ATOM 511 N HIS A 33 25.618 -2.805 9.934 1.00 73.43 N ATOM 512 CA HIS A 33 26.005 -3.846 8.987 1.00 32.51 C ATOM 513 C HIS A 33 25.079 -3.847 7.775 1.00 55.05 C ATOM 514 O HIS A 33 25.579 -4.109 6.681 1.00 25.35 O ATOM 515 CB HIS A 33 25.980 -5.216 9.665 1.00 73.15 C ATOM 516 CG HIS A 33 26.651 -5.236 11.003 1.00 34.23 C ATOM 517 ND1 HIS A 33 26.091 -5.822 12.119 1.00 1.04 N ATOM 518 CD2 HIS A 33 27.844 -4.736 11.402 1.00 1.54 C ATOM 519 CE1 HIS A 33 26.911 -5.681 13.146 1.00 41.33 C ATOM 520 NE2 HIS A 33 27.983 -5.027 12.736 1.00 73.31 N ATOM 0 H HIS A 33 25.113 -3.146 10.752 1.00 73.43 H new ATOM 0 HA HIS A 33 27.019 -3.636 8.647 1.00 32.51 H new ATOM 0 HB2 HIS A 33 24.944 -5.535 9.783 1.00 73.15 H new ATOM 0 HB3 HIS A 33 26.465 -5.943 9.014 1.00 73.15 H new ATOM 0 HD2 HIS A 33 28.555 -4.206 10.785 1.00 1.54 H new ATOM 0 HE1 HIS A 33 26.735 -6.039 14.149 1.00 41.33 H new ATOM 0 HE2 HIS A 33 28.784 -4.779 13.317 1.00 73.31 H new ATOM 528 N ILE A 34 23.788 -3.572 7.932 1.00 62.33 N ATOM 529 CA ILE A 34 22.866 -3.561 6.804 1.00 64.13 C ATOM 530 C ILE A 34 23.194 -2.429 5.836 1.00 22.35 C ATOM 531 O ILE A 34 23.080 -2.584 4.621 1.00 42.53 O ATOM 532 CB ILE A 34 21.406 -3.415 7.271 1.00 42.15 C ATOM 533 CG1 ILE A 34 21.079 -4.470 8.330 1.00 73.41 C ATOM 534 CG2 ILE A 34 20.457 -3.535 6.087 1.00 2.53 C ATOM 535 CD1 ILE A 34 19.714 -4.291 8.958 1.00 74.23 C ATOM 0 H ILE A 34 23.357 -3.354 8.830 1.00 62.33 H new ATOM 0 HA ILE A 34 22.982 -4.517 6.294 1.00 64.13 H new ATOM 0 HB ILE A 34 21.279 -2.428 7.716 1.00 42.15 H new ATOM 0 HG12 ILE A 34 21.134 -5.459 7.875 1.00 73.41 H new ATOM 0 HG13 ILE A 34 21.837 -4.436 9.112 1.00 73.41 H new ATOM 0 HG21 ILE A 34 19.429 -3.430 6.433 1.00 2.53 H new ATOM 0 HG22 ILE A 34 20.678 -2.751 5.363 1.00 2.53 H new ATOM 0 HG23 ILE A 34 20.584 -4.510 5.617 1.00 2.53 H new ATOM 0 HD11 ILE A 34 19.549 -5.073 9.699 1.00 74.23 H new ATOM 0 HD12 ILE A 34 19.661 -3.316 9.442 1.00 74.23 H new ATOM 0 HD13 ILE A 34 18.947 -4.355 8.186 1.00 74.23 H new ATOM 547 N VAL A 35 23.606 -1.291 6.385 1.00 15.23 N ATOM 548 CA VAL A 35 23.955 -0.132 5.571 1.00 72.23 C ATOM 549 C VAL A 35 25.369 -0.257 5.016 1.00 32.13 C ATOM 550 O VAL A 35 25.637 0.135 3.880 1.00 65.15 O ATOM 551 CB VAL A 35 23.846 1.174 6.380 1.00 55.02 C ATOM 552 CG1 VAL A 35 24.245 2.367 5.523 1.00 30.53 C ATOM 553 CG2 VAL A 35 22.436 1.348 6.924 1.00 64.54 C ATOM 0 H VAL A 35 23.706 -1.146 7.390 1.00 15.23 H new ATOM 0 HA VAL A 35 23.245 -0.099 4.744 1.00 72.23 H new ATOM 0 HB VAL A 35 24.533 1.116 7.225 1.00 55.02 H new ATOM 0 HG11 VAL A 35 24.162 3.281 6.111 1.00 30.53 H new ATOM 0 HG12 VAL A 35 25.274 2.245 5.186 1.00 30.53 H new ATOM 0 HG13 VAL A 35 23.585 2.431 4.658 1.00 30.53 H new ATOM 0 HG21 VAL A 35 22.377 2.276 7.493 1.00 64.54 H new ATOM 0 HG22 VAL A 35 21.728 1.385 6.096 1.00 64.54 H new ATOM 0 HG23 VAL A 35 22.190 0.508 7.574 1.00 64.54 H new ATOM 563 N TRP A 36 26.270 -0.804 5.824 1.00 52.30 N ATOM 564 CA TRP A 36 27.658 -0.980 5.412 1.00 3.14 C ATOM 565 C TRP A 36 27.746 -1.803 4.132 1.00 13.42 C ATOM 566 O TRP A 36 28.629 -1.585 3.303 1.00 40.43 O ATOM 567 CB TRP A 36 28.459 -1.660 6.525 1.00 73.11 C ATOM 568 CG TRP A 36 29.854 -2.023 6.116 1.00 60.02 C ATOM 569 CD1 TRP A 36 30.997 -1.331 6.398 1.00 22.34 C ATOM 570 CD2 TRP A 36 30.253 -3.164 5.347 1.00 14.03 C ATOM 571 NE1 TRP A 36 32.083 -1.974 5.853 1.00 55.21 N ATOM 572 CE2 TRP A 36 31.652 -3.100 5.204 1.00 4.00 C ATOM 573 CE3 TRP A 36 29.564 -4.232 4.769 1.00 63.34 C ATOM 574 CZ2 TRP A 36 32.373 -4.065 4.505 1.00 63.52 C ATOM 575 CZ3 TRP A 36 30.280 -5.190 4.075 1.00 32.31 C ATOM 576 CH2 TRP A 36 31.673 -5.101 3.949 1.00 41.53 C ATOM 0 H TRP A 36 26.065 -1.133 6.767 1.00 52.30 H new ATOM 0 HA TRP A 36 28.081 0.006 5.218 1.00 3.14 H new ATOM 0 HB2 TRP A 36 28.502 -0.997 7.389 1.00 73.11 H new ATOM 0 HB3 TRP A 36 27.935 -2.562 6.841 1.00 73.11 H new ATOM 0 HD1 TRP A 36 31.041 -0.413 6.966 1.00 22.34 H new ATOM 0 HE1 TRP A 36 33.052 -1.663 5.921 1.00 55.21 H new ATOM 0 HE3 TRP A 36 28.491 -4.309 4.862 1.00 63.34 H new ATOM 0 HZ2 TRP A 36 33.446 -3.998 4.405 1.00 63.52 H new ATOM 0 HZ3 TRP A 36 29.757 -6.020 3.623 1.00 32.31 H new ATOM 0 HH2 TRP A 36 32.205 -5.866 3.402 1.00 41.53 H new ATOM 587 N ALA A 37 26.824 -2.747 3.975 1.00 1.20 N ATOM 588 CA ALA A 37 26.797 -3.600 2.794 1.00 51.31 C ATOM 589 C ALA A 37 26.094 -2.906 1.632 1.00 15.22 C ATOM 590 O ALA A 37 26.445 -3.111 0.470 1.00 53.31 O ATOM 591 CB ALA A 37 26.114 -4.922 3.112 1.00 2.12 C ATOM 0 H ALA A 37 26.086 -2.940 4.652 1.00 1.20 H new ATOM 0 HA ALA A 37 27.827 -3.798 2.496 1.00 51.31 H new ATOM 0 HB1 ALA A 37 26.101 -5.549 2.220 1.00 2.12 H new ATOM 0 HB2 ALA A 37 26.660 -5.432 3.906 1.00 2.12 H new ATOM 0 HB3 ALA A 37 25.091 -4.734 3.438 1.00 2.12 H new ATOM 597 N SER A 38 25.100 -2.084 1.954 1.00 52.53 N ATOM 598 CA SER A 38 24.345 -1.363 0.935 1.00 32.45 C ATOM 599 C SER A 38 25.243 -0.382 0.185 1.00 64.44 C ATOM 600 O SER A 38 25.215 -0.314 -1.043 1.00 45.25 O ATOM 601 CB SER A 38 23.174 -0.613 1.574 1.00 43.25 C ATOM 602 OG SER A 38 22.824 0.530 0.814 1.00 3.44 O ATOM 0 H SER A 38 24.799 -1.901 2.911 1.00 52.53 H new ATOM 0 HA SER A 38 23.957 -2.091 0.223 1.00 32.45 H new ATOM 0 HB2 SER A 38 22.314 -1.277 1.655 1.00 43.25 H new ATOM 0 HB3 SER A 38 23.440 -0.312 2.587 1.00 43.25 H new ATOM 0 HG SER A 38 22.073 0.990 1.243 1.00 3.44 H new ATOM 608 N ARG A 39 26.037 0.374 0.935 1.00 0.21 N ATOM 609 CA ARG A 39 26.942 1.352 0.343 1.00 24.23 C ATOM 610 C ARG A 39 28.046 0.659 -0.451 1.00 35.55 C ATOM 611 O ARG A 39 28.443 1.127 -1.517 1.00 44.43 O ATOM 612 CB ARG A 39 27.558 2.234 1.431 1.00 51.35 C ATOM 613 CG ARG A 39 26.757 3.494 1.718 1.00 23.14 C ATOM 614 CD ARG A 39 27.023 4.571 0.677 1.00 22.21 C ATOM 615 NE ARG A 39 27.515 5.806 1.282 1.00 2.20 N ATOM 616 CZ ARG A 39 26.737 6.675 1.916 1.00 52.43 C ATOM 617 NH1 ARG A 39 25.436 6.446 2.029 1.00 41.32 N ATOM 618 NH2 ARG A 39 27.259 7.777 2.439 1.00 13.22 N ATOM 0 H ARG A 39 26.072 0.328 1.953 1.00 0.21 H new ATOM 0 HA ARG A 39 26.365 1.978 -0.338 1.00 24.23 H new ATOM 0 HB2 ARG A 39 27.649 1.654 2.349 1.00 51.35 H new ATOM 0 HB3 ARG A 39 28.567 2.515 1.131 1.00 51.35 H new ATOM 0 HG2 ARG A 39 25.694 3.255 1.733 1.00 23.14 H new ATOM 0 HG3 ARG A 39 27.013 3.872 2.708 1.00 23.14 H new ATOM 0 HD2 ARG A 39 27.753 4.205 -0.045 1.00 22.21 H new ATOM 0 HD3 ARG A 39 26.105 4.777 0.126 1.00 22.21 H new ATOM 0 HE ARG A 39 28.512 6.012 1.214 1.00 2.20 H new ATOM 0 HH11 ARG A 39 25.030 5.600 1.628 1.00 41.32 H new ATOM 0 HH12 ARG A 39 24.841 7.116 2.517 1.00 41.32 H new ATOM 0 HH21 ARG A 39 28.259 7.957 2.354 1.00 13.22 H new ATOM 0 HH22 ARG A 39 26.660 8.444 2.926 1.00 13.22 H new ATOM 632 N GLU A 40 28.538 -0.456 0.079 1.00 20.23 N ATOM 633 CA GLU A 40 29.598 -1.211 -0.580 1.00 73.31 C ATOM 634 C GLU A 40 29.061 -1.947 -1.804 1.00 62.51 C ATOM 635 O GLU A 40 29.802 -2.235 -2.744 1.00 41.31 O ATOM 636 CB GLU A 40 30.225 -2.210 0.396 1.00 61.34 C ATOM 637 CG GLU A 40 31.713 -2.422 0.176 1.00 64.24 C ATOM 638 CD GLU A 40 32.566 -1.535 1.061 1.00 22.52 C ATOM 639 OE1 GLU A 40 32.048 -0.506 1.543 1.00 51.50 O ATOM 640 OE2 GLU A 40 33.750 -1.869 1.272 1.00 21.44 O ATOM 0 H GLU A 40 28.220 -0.856 0.962 1.00 20.23 H new ATOM 0 HA GLU A 40 30.362 -0.506 -0.908 1.00 73.31 H new ATOM 0 HB2 GLU A 40 30.063 -1.860 1.415 1.00 61.34 H new ATOM 0 HB3 GLU A 40 29.712 -3.167 0.303 1.00 61.34 H new ATOM 0 HG2 GLU A 40 31.960 -3.466 0.369 1.00 64.24 H new ATOM 0 HG3 GLU A 40 31.954 -2.225 -0.869 1.00 64.24 H new ATOM 647 N LEU A 41 27.767 -2.250 -1.783 1.00 44.52 N ATOM 648 CA LEU A 41 27.129 -2.954 -2.892 1.00 31.35 C ATOM 649 C LEU A 41 27.064 -2.070 -4.132 1.00 52.11 C ATOM 650 O LEU A 41 27.520 -2.458 -5.207 1.00 13.24 O ATOM 651 CB LEU A 41 25.722 -3.400 -2.494 1.00 63.41 C ATOM 652 CG LEU A 41 25.591 -4.837 -1.986 1.00 0.21 C ATOM 653 CD1 LEU A 41 24.156 -5.132 -1.580 1.00 51.40 C ATOM 654 CD2 LEU A 41 26.062 -5.823 -3.047 1.00 75.41 C ATOM 0 H LEU A 41 27.140 -2.020 -1.012 1.00 44.52 H new ATOM 0 HA LEU A 41 27.729 -3.833 -3.127 1.00 31.35 H new ATOM 0 HB2 LEU A 41 25.355 -2.727 -1.719 1.00 63.41 H new ATOM 0 HB3 LEU A 41 25.067 -3.280 -3.357 1.00 63.41 H new ATOM 0 HG LEU A 41 26.225 -4.950 -1.107 1.00 0.21 H new ATOM 0 HD11 LEU A 41 24.083 -6.159 -1.221 1.00 51.40 H new ATOM 0 HD12 LEU A 41 23.855 -4.448 -0.786 1.00 51.40 H new ATOM 0 HD13 LEU A 41 23.500 -5.001 -2.441 1.00 51.40 H new ATOM 0 HD21 LEU A 41 25.962 -6.840 -2.668 1.00 75.41 H new ATOM 0 HD22 LEU A 41 25.455 -5.709 -3.945 1.00 75.41 H new ATOM 0 HD23 LEU A 41 27.107 -5.627 -3.288 1.00 75.41 H new ATOM 666 N GLU A 42 26.494 -0.879 -3.974 1.00 45.43 N ATOM 667 CA GLU A 42 26.370 0.060 -5.083 1.00 51.41 C ATOM 668 C GLU A 42 27.729 0.332 -5.721 1.00 31.02 C ATOM 669 O GLU A 42 27.817 0.666 -6.902 1.00 63.12 O ATOM 670 CB GLU A 42 25.749 1.373 -4.601 1.00 23.21 C ATOM 671 CG GLU A 42 25.784 2.481 -5.641 1.00 12.20 C ATOM 672 CD GLU A 42 24.719 3.534 -5.407 1.00 54.21 C ATOM 673 OE1 GLU A 42 23.585 3.162 -5.042 1.00 42.15 O ATOM 674 OE2 GLU A 42 25.021 4.732 -5.588 1.00 75.32 O ATOM 0 H GLU A 42 26.112 -0.542 -3.090 1.00 45.43 H new ATOM 0 HA GLU A 42 25.719 -0.388 -5.834 1.00 51.41 H new ATOM 0 HB2 GLU A 42 24.714 1.191 -4.311 1.00 23.21 H new ATOM 0 HB3 GLU A 42 26.276 1.708 -3.708 1.00 23.21 H new ATOM 0 HG2 GLU A 42 26.766 2.954 -5.630 1.00 12.20 H new ATOM 0 HG3 GLU A 42 25.650 2.048 -6.632 1.00 12.20 H new ATOM 681 N ARG A 43 28.787 0.187 -4.929 1.00 70.43 N ATOM 682 CA ARG A 43 30.143 0.418 -5.415 1.00 72.04 C ATOM 683 C ARG A 43 30.549 -0.654 -6.421 1.00 24.52 C ATOM 684 O ARG A 43 31.361 -0.407 -7.313 1.00 43.21 O ATOM 685 CB ARG A 43 31.129 0.437 -4.246 1.00 63.41 C ATOM 686 CG ARG A 43 32.030 1.662 -4.229 1.00 61.14 C ATOM 687 CD ARG A 43 32.580 1.930 -2.837 1.00 45.12 C ATOM 688 NE ARG A 43 32.387 3.318 -2.431 1.00 31.53 N ATOM 689 CZ ARG A 43 33.032 3.883 -1.416 1.00 2.11 C ATOM 690 NH1 ARG A 43 33.908 3.182 -0.710 1.00 63.20 N ATOM 691 NH2 ARG A 43 32.803 5.153 -1.107 1.00 20.53 N ATOM 0 H ARG A 43 28.732 -0.089 -3.949 1.00 70.43 H new ATOM 0 HA ARG A 43 30.164 1.387 -5.915 1.00 72.04 H new ATOM 0 HB2 ARG A 43 30.571 0.394 -3.311 1.00 63.41 H new ATOM 0 HB3 ARG A 43 31.749 -0.459 -4.290 1.00 63.41 H new ATOM 0 HG2 ARG A 43 32.856 1.517 -4.926 1.00 61.14 H new ATOM 0 HG3 ARG A 43 31.470 2.531 -4.574 1.00 61.14 H new ATOM 0 HD2 ARG A 43 32.090 1.271 -2.120 1.00 45.12 H new ATOM 0 HD3 ARG A 43 33.643 1.690 -2.815 1.00 45.12 H new ATOM 0 HE ARG A 43 31.721 3.886 -2.955 1.00 31.53 H new ATOM 0 HH11 ARG A 43 34.088 2.206 -0.945 1.00 63.20 H new ATOM 0 HH12 ARG A 43 34.402 3.619 0.069 1.00 63.20 H new ATOM 0 HH21 ARG A 43 32.131 5.697 -1.649 1.00 20.53 H new ATOM 0 HH22 ARG A 43 33.299 5.586 -0.328 1.00 20.53 H new ATOM 705 N PHE A 44 29.982 -1.846 -6.270 1.00 41.15 N ATOM 706 CA PHE A 44 30.286 -2.957 -7.164 1.00 21.12 C ATOM 707 C PHE A 44 29.246 -3.063 -8.276 1.00 75.11 C ATOM 708 O PHE A 44 28.991 -4.145 -8.801 1.00 11.52 O ATOM 709 CB PHE A 44 30.345 -4.270 -6.379 1.00 3.50 C ATOM 710 CG PHE A 44 31.381 -4.272 -5.292 1.00 0.42 C ATOM 711 CD1 PHE A 44 32.671 -3.832 -5.544 1.00 51.22 C ATOM 712 CD2 PHE A 44 31.066 -4.715 -4.017 1.00 14.41 C ATOM 713 CE1 PHE A 44 33.626 -3.833 -4.545 1.00 50.54 C ATOM 714 CE2 PHE A 44 32.017 -4.717 -3.015 1.00 41.44 C ATOM 715 CZ PHE A 44 33.299 -4.277 -3.280 1.00 12.34 C ATOM 0 H PHE A 44 29.309 -2.068 -5.536 1.00 41.15 H new ATOM 0 HA PHE A 44 31.259 -2.768 -7.618 1.00 21.12 H new ATOM 0 HB2 PHE A 44 29.367 -4.465 -5.938 1.00 3.50 H new ATOM 0 HB3 PHE A 44 30.552 -5.088 -7.069 1.00 3.50 H new ATOM 0 HD1 PHE A 44 32.933 -3.484 -6.532 1.00 51.22 H new ATOM 0 HD2 PHE A 44 30.066 -5.063 -3.804 1.00 14.41 H new ATOM 0 HE1 PHE A 44 34.627 -3.487 -4.754 1.00 50.54 H new ATOM 0 HE2 PHE A 44 31.758 -5.062 -2.025 1.00 41.44 H new ATOM 0 HZ PHE A 44 34.044 -4.280 -2.498 1.00 12.34 H new ATOM 725 N ALA A 45 28.649 -1.929 -8.627 1.00 55.25 N ATOM 726 CA ALA A 45 27.637 -1.892 -9.676 1.00 40.31 C ATOM 727 C ALA A 45 26.409 -2.706 -9.284 1.00 20.12 C ATOM 728 O ALA A 45 25.634 -3.132 -10.140 1.00 2.31 O ATOM 729 CB ALA A 45 28.216 -2.406 -10.986 1.00 12.22 C ATOM 0 H ALA A 45 28.848 -1.024 -8.201 1.00 55.25 H new ATOM 0 HA ALA A 45 27.326 -0.856 -9.810 1.00 40.31 H new ATOM 0 HB1 ALA A 45 27.450 -2.373 -11.760 1.00 12.22 H new ATOM 0 HB2 ALA A 45 29.058 -1.780 -11.282 1.00 12.22 H new ATOM 0 HB3 ALA A 45 28.556 -3.433 -10.855 1.00 12.22 H new ATOM 735 N VAL A 46 26.236 -2.919 -7.983 1.00 44.31 N ATOM 736 CA VAL A 46 25.102 -3.682 -7.477 1.00 1.21 C ATOM 737 C VAL A 46 24.222 -2.825 -6.576 1.00 73.33 C ATOM 738 O VAL A 46 24.646 -2.392 -5.505 1.00 31.11 O ATOM 739 CB VAL A 46 25.566 -4.924 -6.693 1.00 74.33 C ATOM 740 CG1 VAL A 46 24.370 -5.682 -6.136 1.00 13.11 C ATOM 741 CG2 VAL A 46 26.415 -5.825 -7.575 1.00 40.00 C ATOM 0 H VAL A 46 26.868 -2.573 -7.260 1.00 44.31 H new ATOM 0 HA VAL A 46 24.525 -4.004 -8.344 1.00 1.21 H new ATOM 0 HB VAL A 46 26.179 -4.594 -5.854 1.00 74.33 H new ATOM 0 HG11 VAL A 46 24.718 -6.556 -5.585 1.00 13.11 H new ATOM 0 HG12 VAL A 46 23.807 -5.032 -5.467 1.00 13.11 H new ATOM 0 HG13 VAL A 46 23.728 -6.002 -6.957 1.00 13.11 H new ATOM 0 HG21 VAL A 46 26.734 -6.697 -7.004 1.00 40.00 H new ATOM 0 HG22 VAL A 46 25.829 -6.149 -8.435 1.00 40.00 H new ATOM 0 HG23 VAL A 46 27.292 -5.276 -7.919 1.00 40.00 H new ATOM 751 N ASN A 47 22.991 -2.583 -7.016 1.00 42.53 N ATOM 752 CA ASN A 47 22.048 -1.777 -6.248 1.00 42.23 C ATOM 753 C ASN A 47 21.735 -2.434 -4.908 1.00 43.24 C ATOM 754 O ASN A 47 21.663 -3.658 -4.791 1.00 71.02 O ATOM 755 CB ASN A 47 20.757 -1.570 -7.043 1.00 63.20 C ATOM 756 CG ASN A 47 20.996 -0.859 -8.360 1.00 61.05 C ATOM 757 OD1 ASN A 47 20.818 -1.439 -9.432 1.00 75.23 O ATOM 758 ND2 ASN A 47 21.401 0.403 -8.287 1.00 35.51 N ATOM 0 H ASN A 47 22.623 -2.934 -7.900 1.00 42.53 H new ATOM 0 HA ASN A 47 22.508 -0.808 -6.057 1.00 42.23 H new ATOM 0 HB2 ASN A 47 20.293 -2.537 -7.235 1.00 63.20 H new ATOM 0 HB3 ASN A 47 20.053 -0.992 -6.444 1.00 63.20 H new ATOM 0 HD21 ASN A 47 21.578 0.932 -9.141 1.00 35.51 H new ATOM 0 HD22 ASN A 47 21.535 0.844 -7.377 1.00 35.51 H new ATOM 765 N PRO A 48 21.543 -1.605 -3.872 1.00 11.42 N ATOM 766 CA PRO A 48 21.234 -2.082 -2.522 1.00 63.34 C ATOM 767 C PRO A 48 19.835 -2.683 -2.425 1.00 53.41 C ATOM 768 O PRO A 48 19.491 -3.324 -1.434 1.00 32.12 O ATOM 769 CB PRO A 48 21.332 -0.817 -1.666 1.00 22.13 C ATOM 770 CG PRO A 48 21.061 0.301 -2.612 1.00 21.15 C ATOM 771 CD PRO A 48 21.615 -0.135 -3.940 1.00 10.01 C ATOM 0 HA PRO A 48 21.908 -2.879 -2.208 1.00 63.34 H new ATOM 0 HB2 PRO A 48 20.607 -0.832 -0.852 1.00 22.13 H new ATOM 0 HB3 PRO A 48 22.318 -0.721 -1.212 1.00 22.13 H new ATOM 0 HG2 PRO A 48 19.992 0.502 -2.682 1.00 21.15 H new ATOM 0 HG3 PRO A 48 21.537 1.222 -2.274 1.00 21.15 H new ATOM 0 HD2 PRO A 48 21.027 0.258 -4.770 1.00 10.01 H new ATOM 0 HD3 PRO A 48 22.639 0.211 -4.082 1.00 10.01 H new ATOM 779 N GLY A 49 19.032 -2.469 -3.463 1.00 43.55 N ATOM 780 CA GLY A 49 17.680 -2.996 -3.476 1.00 3.11 C ATOM 781 C GLY A 49 17.648 -4.511 -3.508 1.00 61.01 C ATOM 782 O GLY A 49 16.598 -5.122 -3.305 1.00 43.53 O ATOM 0 H GLY A 49 19.294 -1.940 -4.295 1.00 43.55 H new ATOM 0 HA2 GLY A 49 17.147 -2.643 -2.593 1.00 3.11 H new ATOM 0 HA3 GLY A 49 17.150 -2.606 -4.345 1.00 3.11 H new ATOM 786 N LEU A 50 18.801 -5.121 -3.765 1.00 35.43 N ATOM 787 CA LEU A 50 18.901 -6.575 -3.823 1.00 15.43 C ATOM 788 C LEU A 50 18.902 -7.178 -2.423 1.00 71.23 C ATOM 789 O LEU A 50 18.575 -8.351 -2.240 1.00 64.35 O ATOM 790 CB LEU A 50 20.171 -6.988 -4.569 1.00 51.32 C ATOM 791 CG LEU A 50 20.296 -6.489 -6.010 1.00 30.53 C ATOM 792 CD1 LEU A 50 21.537 -7.068 -6.670 1.00 73.21 C ATOM 793 CD2 LEU A 50 19.050 -6.844 -6.807 1.00 53.34 C ATOM 0 H LEU A 50 19.679 -4.631 -3.936 1.00 35.43 H new ATOM 0 HA LEU A 50 18.031 -6.953 -4.360 1.00 15.43 H new ATOM 0 HB2 LEU A 50 21.032 -6.629 -4.005 1.00 51.32 H new ATOM 0 HB3 LEU A 50 20.226 -8.077 -4.577 1.00 51.32 H new ATOM 0 HG LEU A 50 20.394 -5.404 -5.991 1.00 30.53 H new ATOM 0 HD11 LEU A 50 21.609 -6.702 -7.694 1.00 73.21 H new ATOM 0 HD12 LEU A 50 22.422 -6.762 -6.112 1.00 73.21 H new ATOM 0 HD13 LEU A 50 21.471 -8.156 -6.678 1.00 73.21 H new ATOM 0 HD21 LEU A 50 19.156 -6.481 -7.829 1.00 53.34 H new ATOM 0 HD22 LEU A 50 18.921 -7.926 -6.817 1.00 53.34 H new ATOM 0 HD23 LEU A 50 18.179 -6.379 -6.346 1.00 53.34 H new ATOM 805 N LEU A 51 19.269 -6.369 -1.435 1.00 14.54 N ATOM 806 CA LEU A 51 19.310 -6.821 -0.049 1.00 53.55 C ATOM 807 C LEU A 51 17.914 -6.821 0.565 1.00 52.15 C ATOM 808 O LEU A 51 17.663 -7.503 1.557 1.00 62.24 O ATOM 809 CB LEU A 51 20.241 -5.929 0.772 1.00 74.13 C ATOM 810 CG LEU A 51 21.704 -5.896 0.328 1.00 30.51 C ATOM 811 CD1 LEU A 51 22.484 -4.870 1.136 1.00 71.12 C ATOM 812 CD2 LEU A 51 22.333 -7.275 0.464 1.00 42.21 C ATOM 0 H LEU A 51 19.543 -5.396 -1.569 1.00 14.54 H new ATOM 0 HA LEU A 51 19.692 -7.842 -0.037 1.00 53.55 H new ATOM 0 HB2 LEU A 51 19.852 -4.911 0.747 1.00 74.13 H new ATOM 0 HB3 LEU A 51 20.205 -6.259 1.810 1.00 74.13 H new ATOM 0 HG LEU A 51 21.739 -5.604 -0.722 1.00 30.51 H new ATOM 0 HD11 LEU A 51 23.523 -4.861 0.806 1.00 71.12 H new ATOM 0 HD12 LEU A 51 22.047 -3.882 0.988 1.00 71.12 H new ATOM 0 HD13 LEU A 51 22.441 -5.131 2.193 1.00 71.12 H new ATOM 0 HD21 LEU A 51 23.374 -7.233 0.144 1.00 42.21 H new ATOM 0 HD22 LEU A 51 22.286 -7.595 1.505 1.00 42.21 H new ATOM 0 HD23 LEU A 51 21.790 -7.986 -0.159 1.00 42.21 H new ATOM 824 N GLU A 52 17.009 -6.053 -0.035 1.00 21.42 N ATOM 825 CA GLU A 52 15.638 -5.966 0.454 1.00 54.22 C ATOM 826 C GLU A 52 14.730 -6.933 -0.298 1.00 41.34 C ATOM 827 O GLU A 52 13.514 -6.744 -0.358 1.00 4.10 O ATOM 828 CB GLU A 52 15.111 -4.536 0.309 1.00 42.34 C ATOM 829 CG GLU A 52 14.986 -4.078 -1.134 1.00 74.14 C ATOM 830 CD GLU A 52 14.095 -2.860 -1.284 1.00 43.12 C ATOM 831 OE1 GLU A 52 12.935 -2.912 -0.824 1.00 40.51 O ATOM 832 OE2 GLU A 52 14.559 -1.854 -1.861 1.00 53.10 O ATOM 0 H GLU A 52 17.201 -5.483 -0.859 1.00 21.42 H new ATOM 0 HA GLU A 52 15.637 -6.241 1.509 1.00 54.22 H new ATOM 0 HB2 GLU A 52 14.135 -4.467 0.789 1.00 42.34 H new ATOM 0 HB3 GLU A 52 15.777 -3.856 0.841 1.00 42.34 H new ATOM 0 HG2 GLU A 52 15.977 -3.849 -1.526 1.00 74.14 H new ATOM 0 HG3 GLU A 52 14.585 -4.893 -1.737 1.00 74.14 H new ATOM 839 N THR A 53 15.329 -7.972 -0.874 1.00 54.32 N ATOM 840 CA THR A 53 14.576 -8.968 -1.625 1.00 41.00 C ATOM 841 C THR A 53 15.182 -10.356 -1.458 1.00 25.42 C ATOM 842 O THR A 53 16.327 -10.595 -1.843 1.00 34.12 O ATOM 843 CB THR A 53 14.524 -8.621 -3.125 1.00 50.12 C ATOM 844 OG1 THR A 53 14.036 -9.741 -3.871 1.00 21.10 O ATOM 845 CG2 THR A 53 15.901 -8.225 -3.637 1.00 25.03 C ATOM 0 H THR A 53 16.333 -8.145 -0.834 1.00 54.32 H new ATOM 0 HA THR A 53 13.563 -8.966 -1.224 1.00 41.00 H new ATOM 0 HB THR A 53 13.848 -7.776 -3.256 1.00 50.12 H new ATOM 0 HG1 THR A 53 14.005 -9.511 -4.823 1.00 21.10 H new ATOM 0 HG21 THR A 53 15.839 -7.984 -4.698 1.00 25.03 H new ATOM 0 HG22 THR A 53 16.257 -7.353 -3.088 1.00 25.03 H new ATOM 0 HG23 THR A 53 16.595 -9.053 -3.492 1.00 25.03 H new ATOM 853 N SER A 54 14.407 -11.270 -0.882 1.00 3.24 N ATOM 854 CA SER A 54 14.870 -12.635 -0.660 1.00 62.14 C ATOM 855 C SER A 54 15.254 -13.299 -1.979 1.00 62.32 C ATOM 856 O SER A 54 16.017 -14.265 -2.001 1.00 74.43 O ATOM 857 CB SER A 54 13.786 -13.456 0.041 1.00 73.12 C ATOM 858 OG SER A 54 14.336 -14.242 1.083 1.00 5.12 O ATOM 0 H SER A 54 13.456 -11.090 -0.561 1.00 3.24 H new ATOM 0 HA SER A 54 15.753 -12.594 -0.023 1.00 62.14 H new ATOM 0 HB2 SER A 54 13.026 -12.789 0.447 1.00 73.12 H new ATOM 0 HB3 SER A 54 13.290 -14.102 -0.683 1.00 73.12 H new ATOM 0 HG SER A 54 15.259 -14.482 0.859 1.00 5.12 H new ATOM 864 N GLU A 55 14.719 -12.774 -3.077 1.00 32.34 N ATOM 865 CA GLU A 55 15.005 -13.316 -4.400 1.00 13.05 C ATOM 866 C GLU A 55 16.251 -12.668 -4.996 1.00 24.04 C ATOM 867 O GLU A 55 17.122 -13.351 -5.535 1.00 33.32 O ATOM 868 CB GLU A 55 13.810 -13.102 -5.332 1.00 44.33 C ATOM 869 CG GLU A 55 13.484 -14.312 -6.191 1.00 70.53 C ATOM 870 CD GLU A 55 12.141 -14.927 -5.846 1.00 1.53 C ATOM 871 OE1 GLU A 55 11.105 -14.334 -6.209 1.00 15.41 O ATOM 872 OE2 GLU A 55 12.127 -16.004 -5.213 1.00 32.25 O ATOM 0 H GLU A 55 14.086 -11.974 -3.076 1.00 32.34 H new ATOM 0 HA GLU A 55 15.188 -14.385 -4.295 1.00 13.05 H new ATOM 0 HB2 GLU A 55 12.935 -12.845 -4.734 1.00 44.33 H new ATOM 0 HB3 GLU A 55 14.014 -12.250 -5.981 1.00 44.33 H new ATOM 0 HG2 GLU A 55 13.486 -14.019 -7.241 1.00 70.53 H new ATOM 0 HG3 GLU A 55 14.265 -15.062 -6.068 1.00 70.53 H new ATOM 879 N GLY A 56 16.329 -11.345 -4.896 1.00 74.43 N ATOM 880 CA GLY A 56 17.471 -10.626 -5.430 1.00 20.25 C ATOM 881 C GLY A 56 18.743 -10.900 -4.653 1.00 1.13 C ATOM 882 O GLY A 56 19.834 -10.524 -5.083 1.00 62.10 O ATOM 0 H GLY A 56 15.621 -10.758 -4.455 1.00 74.43 H new ATOM 0 HA2 GLY A 56 17.618 -10.907 -6.473 1.00 20.25 H new ATOM 0 HA3 GLY A 56 17.263 -9.556 -5.414 1.00 20.25 H new ATOM 886 N CYS A 57 18.604 -11.555 -3.505 1.00 11.32 N ATOM 887 CA CYS A 57 19.753 -11.877 -2.665 1.00 71.23 C ATOM 888 C CYS A 57 20.354 -13.222 -3.060 1.00 24.42 C ATOM 889 O CYS A 57 21.568 -13.416 -2.984 1.00 53.53 O ATOM 890 CB CYS A 57 19.341 -11.901 -1.192 1.00 30.24 C ATOM 891 SG CYS A 57 20.097 -10.597 -0.194 1.00 1.10 S ATOM 0 H CYS A 57 17.708 -11.873 -3.135 1.00 11.32 H new ATOM 0 HA CYS A 57 20.509 -11.105 -2.811 1.00 71.23 H new ATOM 0 HB2 CYS A 57 18.257 -11.811 -1.127 1.00 30.24 H new ATOM 0 HB3 CYS A 57 19.606 -12.869 -0.767 1.00 30.24 H new ATOM 0 HG CYS A 57 19.686 -10.698 1.035 1.00 1.10 H new ATOM 897 N ARG A 58 19.498 -14.148 -3.479 1.00 21.32 N ATOM 898 CA ARG A 58 19.946 -15.476 -3.881 1.00 52.34 C ATOM 899 C ARG A 58 20.950 -15.386 -5.026 1.00 44.11 C ATOM 900 O ARG A 58 21.742 -16.304 -5.242 1.00 33.21 O ATOM 901 CB ARG A 58 18.751 -16.333 -4.304 1.00 63.43 C ATOM 902 CG ARG A 58 18.236 -16.015 -5.698 1.00 43.44 C ATOM 903 CD ARG A 58 18.698 -17.051 -6.712 1.00 31.34 C ATOM 904 NE ARG A 58 18.091 -16.843 -8.023 1.00 53.25 N ATOM 905 CZ ARG A 58 18.551 -17.390 -9.143 1.00 20.34 C ATOM 906 NH1 ARG A 58 19.621 -18.173 -9.110 1.00 61.54 N ATOM 907 NH2 ARG A 58 17.942 -17.153 -10.298 1.00 25.10 N ATOM 0 H ARG A 58 18.491 -14.003 -3.549 1.00 21.32 H new ATOM 0 HA ARG A 58 20.435 -15.942 -3.026 1.00 52.34 H new ATOM 0 HB2 ARG A 58 19.036 -17.384 -4.262 1.00 63.43 H new ATOM 0 HB3 ARG A 58 17.942 -16.193 -3.587 1.00 63.43 H new ATOM 0 HG2 ARG A 58 17.147 -15.977 -5.685 1.00 43.44 H new ATOM 0 HG3 ARG A 58 18.585 -15.028 -6.000 1.00 43.44 H new ATOM 0 HD2 ARG A 58 19.783 -17.009 -6.804 1.00 31.34 H new ATOM 0 HD3 ARG A 58 18.447 -18.048 -6.351 1.00 31.34 H new ATOM 0 HE ARG A 58 17.267 -16.244 -8.083 1.00 53.25 H new ATOM 0 HH11 ARG A 58 20.092 -18.356 -8.224 1.00 61.54 H new ATOM 0 HH12 ARG A 58 19.973 -18.592 -9.971 1.00 61.54 H new ATOM 0 HH21 ARG A 58 17.120 -16.550 -10.327 1.00 25.10 H new ATOM 0 HH22 ARG A 58 18.296 -17.574 -11.157 1.00 25.10 H new ATOM 921 N GLN A 59 20.911 -14.276 -5.756 1.00 3.02 N ATOM 922 CA GLN A 59 21.818 -14.068 -6.879 1.00 3.04 C ATOM 923 C GLN A 59 23.147 -13.489 -6.405 1.00 10.41 C ATOM 924 O GLN A 59 24.181 -13.678 -7.046 1.00 51.01 O ATOM 925 CB GLN A 59 21.181 -13.137 -7.910 1.00 40.34 C ATOM 926 CG GLN A 59 20.781 -13.838 -9.199 1.00 72.24 C ATOM 927 CD GLN A 59 20.732 -12.896 -10.385 1.00 42.41 C ATOM 928 OE1 GLN A 59 21.733 -12.272 -10.739 1.00 31.22 O ATOM 929 NE2 GLN A 59 19.564 -12.789 -11.009 1.00 25.34 N ATOM 0 H GLN A 59 20.262 -13.507 -5.590 1.00 3.02 H new ATOM 0 HA GLN A 59 22.009 -15.035 -7.343 1.00 3.04 H new ATOM 0 HB2 GLN A 59 20.299 -12.672 -7.471 1.00 40.34 H new ATOM 0 HB3 GLN A 59 21.881 -12.335 -8.145 1.00 40.34 H new ATOM 0 HG2 GLN A 59 21.489 -14.640 -9.406 1.00 72.24 H new ATOM 0 HG3 GLN A 59 19.803 -14.302 -9.068 1.00 72.24 H new ATOM 0 HE21 GLN A 59 18.760 -13.325 -10.682 1.00 25.34 H new ATOM 0 HE22 GLN A 59 19.471 -12.171 -11.815 1.00 25.34 H new ATOM 938 N ILE A 60 23.111 -12.783 -5.280 1.00 3.04 N ATOM 939 CA ILE A 60 24.314 -12.176 -4.721 1.00 72.24 C ATOM 940 C ILE A 60 25.252 -13.237 -4.154 1.00 54.23 C ATOM 941 O ILE A 60 26.458 -13.209 -4.400 1.00 70.23 O ATOM 942 CB ILE A 60 23.970 -11.165 -3.611 1.00 14.11 C ATOM 943 CG1 ILE A 60 22.876 -10.206 -4.087 1.00 32.51 C ATOM 944 CG2 ILE A 60 25.213 -10.395 -3.194 1.00 73.32 C ATOM 945 CD1 ILE A 60 22.429 -9.227 -3.025 1.00 33.52 C ATOM 0 H ILE A 60 22.263 -12.617 -4.738 1.00 3.04 H new ATOM 0 HA ILE A 60 24.812 -11.652 -5.537 1.00 72.24 H new ATOM 0 HB ILE A 60 23.597 -11.710 -2.744 1.00 14.11 H new ATOM 0 HG12 ILE A 60 23.241 -9.651 -4.951 1.00 32.51 H new ATOM 0 HG13 ILE A 60 22.016 -10.786 -4.421 1.00 32.51 H new ATOM 0 HG21 ILE A 60 24.954 -9.684 -2.409 1.00 73.32 H new ATOM 0 HG22 ILE A 60 25.964 -11.091 -2.820 1.00 73.32 H new ATOM 0 HG23 ILE A 60 25.613 -9.857 -4.053 1.00 73.32 H new ATOM 0 HD11 ILE A 60 21.653 -8.579 -3.431 1.00 33.52 H new ATOM 0 HD12 ILE A 60 22.034 -9.774 -2.169 1.00 33.52 H new ATOM 0 HD13 ILE A 60 23.278 -8.622 -2.708 1.00 33.52 H new ATOM 957 N LEU A 61 24.689 -14.171 -3.395 1.00 52.21 N ATOM 958 CA LEU A 61 25.475 -15.243 -2.795 1.00 63.53 C ATOM 959 C LEU A 61 26.062 -16.155 -3.867 1.00 24.11 C ATOM 960 O LEU A 61 27.112 -16.765 -3.671 1.00 72.30 O ATOM 961 CB LEU A 61 24.609 -16.060 -1.833 1.00 32.12 C ATOM 962 CG LEU A 61 24.318 -15.412 -0.479 1.00 62.42 C ATOM 963 CD1 LEU A 61 23.325 -16.251 0.311 1.00 44.34 C ATOM 964 CD2 LEU A 61 25.605 -15.223 0.310 1.00 24.31 C ATOM 0 H LEU A 61 23.692 -14.207 -3.181 1.00 52.21 H new ATOM 0 HA LEU A 61 26.297 -14.790 -2.240 1.00 63.53 H new ATOM 0 HB2 LEU A 61 23.659 -16.274 -2.323 1.00 32.12 H new ATOM 0 HB3 LEU A 61 25.100 -17.017 -1.657 1.00 32.12 H new ATOM 0 HG LEU A 61 23.876 -14.431 -0.655 1.00 62.42 H new ATOM 0 HD11 LEU A 61 23.130 -15.775 1.272 1.00 44.34 H new ATOM 0 HD12 LEU A 61 22.393 -16.335 -0.249 1.00 44.34 H new ATOM 0 HD13 LEU A 61 23.740 -17.245 0.477 1.00 44.34 H new ATOM 0 HD21 LEU A 61 25.378 -14.761 1.271 1.00 24.31 H new ATOM 0 HD22 LEU A 61 26.076 -16.192 0.476 1.00 24.31 H new ATOM 0 HD23 LEU A 61 26.284 -14.581 -0.250 1.00 24.31 H new ATOM 976 N GLY A 62 25.377 -16.242 -5.004 1.00 62.30 N ATOM 977 CA GLY A 62 25.846 -17.080 -6.092 1.00 30.42 C ATOM 978 C GLY A 62 27.065 -16.502 -6.783 1.00 14.22 C ATOM 979 O GLY A 62 27.925 -17.242 -7.259 1.00 21.33 O ATOM 0 H GLY A 62 24.505 -15.747 -5.191 1.00 62.30 H new ATOM 0 HA2 GLY A 62 26.086 -18.071 -5.706 1.00 30.42 H new ATOM 0 HA3 GLY A 62 25.045 -17.207 -6.820 1.00 30.42 H new ATOM 983 N GLN A 63 27.138 -15.176 -6.842 1.00 34.35 N ATOM 984 CA GLN A 63 28.259 -14.500 -7.483 1.00 32.45 C ATOM 985 C GLN A 63 29.458 -14.425 -6.544 1.00 0.52 C ATOM 986 O GLN A 63 30.608 -14.415 -6.988 1.00 31.23 O ATOM 987 CB GLN A 63 27.851 -13.093 -7.921 1.00 12.51 C ATOM 988 CG GLN A 63 27.583 -12.973 -9.413 1.00 61.41 C ATOM 989 CD GLN A 63 28.841 -12.701 -10.212 1.00 21.13 C ATOM 990 OE1 GLN A 63 29.209 -11.547 -10.438 1.00 32.10 O ATOM 991 NE2 GLN A 63 29.510 -13.763 -10.644 1.00 44.52 N ATOM 0 H GLN A 63 26.434 -14.549 -6.453 1.00 34.35 H new ATOM 0 HA GLN A 63 28.544 -15.078 -8.362 1.00 32.45 H new ATOM 0 HB2 GLN A 63 26.955 -12.797 -7.375 1.00 12.51 H new ATOM 0 HB3 GLN A 63 28.639 -12.393 -7.645 1.00 12.51 H new ATOM 0 HG2 GLN A 63 27.122 -13.894 -9.771 1.00 61.41 H new ATOM 0 HG3 GLN A 63 26.867 -12.170 -9.586 1.00 61.41 H new ATOM 0 HE21 GLN A 63 29.169 -14.701 -10.434 1.00 44.52 H new ATOM 0 HE22 GLN A 63 30.365 -13.641 -11.186 1.00 44.52 H new ATOM 1000 N LEU A 64 29.185 -14.372 -5.245 1.00 60.14 N ATOM 1001 CA LEU A 64 30.242 -14.298 -4.243 1.00 0.13 C ATOM 1002 C LEU A 64 30.762 -15.689 -3.895 1.00 62.42 C ATOM 1003 O LEU A 64 31.905 -15.845 -3.470 1.00 3.14 O ATOM 1004 CB LEU A 64 29.728 -13.603 -2.981 1.00 52.22 C ATOM 1005 CG LEU A 64 29.400 -12.116 -3.119 1.00 52.50 C ATOM 1006 CD1 LEU A 64 28.963 -11.539 -1.782 1.00 12.14 C ATOM 1007 CD2 LEU A 64 30.599 -11.354 -3.665 1.00 45.45 C ATOM 0 H LEU A 64 28.240 -14.379 -4.861 1.00 60.14 H new ATOM 0 HA LEU A 64 31.064 -13.717 -4.661 1.00 0.13 H new ATOM 0 HB2 LEU A 64 28.831 -14.123 -2.644 1.00 52.22 H new ATOM 0 HB3 LEU A 64 30.476 -13.718 -2.197 1.00 52.22 H new ATOM 0 HG LEU A 64 28.575 -12.009 -3.824 1.00 52.50 H new ATOM 0 HD11 LEU A 64 28.734 -10.480 -1.900 1.00 12.14 H new ATOM 0 HD12 LEU A 64 28.075 -12.065 -1.431 1.00 12.14 H new ATOM 0 HD13 LEU A 64 29.766 -11.657 -1.055 1.00 12.14 H new ATOM 0 HD21 LEU A 64 30.348 -10.297 -3.757 1.00 45.45 H new ATOM 0 HD22 LEU A 64 31.443 -11.468 -2.985 1.00 45.45 H new ATOM 0 HD23 LEU A 64 30.866 -11.750 -4.645 1.00 45.45 H new ATOM 1019 N GLN A 65 29.914 -16.695 -4.080 1.00 52.34 N ATOM 1020 CA GLN A 65 30.289 -18.074 -3.788 1.00 32.02 C ATOM 1021 C GLN A 65 31.599 -18.439 -4.477 1.00 45.43 C ATOM 1022 O GLN A 65 32.596 -18.766 -3.834 1.00 3.54 O ATOM 1023 CB GLN A 65 29.181 -19.031 -4.231 1.00 61.14 C ATOM 1024 CG GLN A 65 28.510 -19.760 -3.078 1.00 33.30 C ATOM 1025 CD GLN A 65 28.055 -21.155 -3.456 1.00 61.45 C ATOM 1026 OE1 GLN A 65 26.947 -21.344 -3.960 1.00 2.24 O ATOM 1027 NE2 GLN A 65 28.908 -22.143 -3.214 1.00 21.55 N ATOM 0 H GLN A 65 28.963 -16.582 -4.431 1.00 52.34 H new ATOM 0 HA GLN A 65 30.429 -18.166 -2.711 1.00 32.02 H new ATOM 0 HB2 GLN A 65 28.427 -18.470 -4.783 1.00 61.14 H new ATOM 0 HB3 GLN A 65 29.600 -19.765 -4.919 1.00 61.14 H new ATOM 0 HG2 GLN A 65 29.204 -19.823 -2.240 1.00 33.30 H new ATOM 0 HG3 GLN A 65 27.651 -19.181 -2.738 1.00 33.30 H new ATOM 0 HE21 GLN A 65 29.816 -21.942 -2.795 1.00 21.55 H new ATOM 0 HE22 GLN A 65 28.655 -23.103 -3.447 1.00 21.55 H new ATOM 1036 N PRO A 66 31.599 -18.385 -5.817 1.00 54.03 N ATOM 1037 CA PRO A 66 32.780 -18.708 -6.624 1.00 35.23 C ATOM 1038 C PRO A 66 33.879 -17.660 -6.484 1.00 4.13 C ATOM 1039 O PRO A 66 35.034 -17.909 -6.833 1.00 60.34 O ATOM 1040 CB PRO A 66 32.238 -18.726 -8.056 1.00 33.43 C ATOM 1041 CG PRO A 66 31.042 -17.838 -8.019 1.00 42.45 C ATOM 1042 CD PRO A 66 30.445 -18.004 -6.650 1.00 35.30 C ATOM 0 HA PRO A 66 33.240 -19.647 -6.317 1.00 35.23 H new ATOM 0 HB2 PRO A 66 32.981 -18.361 -8.765 1.00 33.43 H new ATOM 0 HB3 PRO A 66 31.972 -19.736 -8.366 1.00 33.43 H new ATOM 0 HG2 PRO A 66 31.321 -16.800 -8.200 1.00 42.45 H new ATOM 0 HG3 PRO A 66 30.326 -18.115 -8.793 1.00 42.45 H new ATOM 0 HD2 PRO A 66 29.983 -17.081 -6.299 1.00 35.30 H new ATOM 0 HD3 PRO A 66 29.671 -18.772 -6.640 1.00 35.30 H new ATOM 1050 N SER A 67 33.515 -16.490 -5.971 1.00 21.32 N ATOM 1051 CA SER A 67 34.471 -15.404 -5.788 1.00 51.14 C ATOM 1052 C SER A 67 35.244 -15.575 -4.484 1.00 73.11 C ATOM 1053 O SER A 67 36.374 -15.104 -4.352 1.00 52.01 O ATOM 1054 CB SER A 67 33.750 -14.054 -5.795 1.00 64.22 C ATOM 1055 OG SER A 67 33.137 -13.811 -7.049 1.00 32.44 O ATOM 0 H SER A 67 32.564 -16.269 -5.674 1.00 21.32 H new ATOM 0 HA SER A 67 35.179 -15.433 -6.616 1.00 51.14 H new ATOM 0 HB2 SER A 67 32.996 -14.037 -5.008 1.00 64.22 H new ATOM 0 HB3 SER A 67 34.460 -13.257 -5.573 1.00 64.22 H new ATOM 0 HG SER A 67 32.313 -14.337 -7.118 1.00 32.44 H new ATOM 1061 N LEU A 68 34.626 -16.250 -3.521 1.00 51.14 N ATOM 1062 CA LEU A 68 35.253 -16.484 -2.225 1.00 12.22 C ATOM 1063 C LEU A 68 36.636 -17.105 -2.395 1.00 23.10 C ATOM 1064 O LEU A 68 37.524 -16.898 -1.569 1.00 25.05 O ATOM 1065 CB LEU A 68 34.374 -17.395 -1.367 1.00 34.20 C ATOM 1066 CG LEU A 68 33.148 -16.739 -0.732 1.00 34.53 C ATOM 1067 CD1 LEU A 68 32.004 -17.735 -0.622 1.00 3.32 C ATOM 1068 CD2 LEU A 68 33.496 -16.172 0.638 1.00 13.32 C ATOM 0 H LEU A 68 33.690 -16.645 -3.613 1.00 51.14 H new ATOM 0 HA LEU A 68 35.365 -15.522 -1.724 1.00 12.22 H new ATOM 0 HB2 LEU A 68 34.037 -18.228 -1.984 1.00 34.20 H new ATOM 0 HB3 LEU A 68 34.989 -17.816 -0.572 1.00 34.20 H new ATOM 0 HG LEU A 68 32.827 -15.918 -1.374 1.00 34.53 H new ATOM 0 HD11 LEU A 68 31.141 -17.249 -0.168 1.00 3.32 H new ATOM 0 HD12 LEU A 68 31.737 -18.094 -1.616 1.00 3.32 H new ATOM 0 HD13 LEU A 68 32.313 -18.577 -0.003 1.00 3.32 H new ATOM 0 HD21 LEU A 68 32.612 -15.709 1.075 1.00 13.32 H new ATOM 0 HD22 LEU A 68 33.843 -16.976 1.287 1.00 13.32 H new ATOM 0 HD23 LEU A 68 34.283 -15.425 0.533 1.00 13.32 H new ATOM 1080 N GLN A 69 36.809 -17.866 -3.471 1.00 2.21 N ATOM 1081 CA GLN A 69 38.085 -18.516 -3.749 1.00 65.45 C ATOM 1082 C GLN A 69 39.219 -17.498 -3.780 1.00 22.22 C ATOM 1083 O GLN A 69 40.246 -17.676 -3.122 1.00 43.23 O ATOM 1084 CB GLN A 69 38.019 -19.266 -5.080 1.00 3.14 C ATOM 1085 CG GLN A 69 38.942 -20.473 -5.145 1.00 64.51 C ATOM 1086 CD GLN A 69 38.216 -21.777 -4.881 1.00 72.33 C ATOM 1087 OE1 GLN A 69 37.871 -22.509 -5.810 1.00 30.40 O ATOM 1088 NE2 GLN A 69 37.977 -22.076 -3.609 1.00 25.24 N ATOM 0 H GLN A 69 36.083 -18.048 -4.164 1.00 2.21 H new ATOM 0 HA GLN A 69 38.284 -19.228 -2.948 1.00 65.45 H new ATOM 0 HB2 GLN A 69 36.994 -19.593 -5.253 1.00 3.14 H new ATOM 0 HB3 GLN A 69 38.275 -18.580 -5.887 1.00 3.14 H new ATOM 0 HG2 GLN A 69 39.410 -20.515 -6.128 1.00 64.51 H new ATOM 0 HG3 GLN A 69 39.743 -20.353 -4.415 1.00 64.51 H new ATOM 0 HE21 GLN A 69 38.280 -21.441 -2.870 1.00 25.24 H new ATOM 0 HE22 GLN A 69 37.490 -22.940 -3.371 1.00 25.24 H new ATOM 1097 N THR A 70 39.029 -16.430 -4.547 1.00 1.10 N ATOM 1098 CA THR A 70 40.036 -15.384 -4.665 1.00 4.24 C ATOM 1099 C THR A 70 39.477 -14.031 -4.240 1.00 1.21 C ATOM 1100 O THR A 70 39.779 -13.005 -4.848 1.00 72.15 O ATOM 1101 CB THR A 70 40.568 -15.277 -6.107 1.00 13.43 C ATOM 1102 OG1 THR A 70 40.537 -16.562 -6.738 1.00 55.14 O ATOM 1103 CG2 THR A 70 41.990 -14.735 -6.121 1.00 25.33 C ATOM 0 H THR A 70 38.185 -16.267 -5.097 1.00 1.10 H new ATOM 0 HA THR A 70 40.856 -15.659 -4.002 1.00 4.24 H new ATOM 0 HB THR A 70 39.927 -14.587 -6.656 1.00 13.43 H new ATOM 0 HG1 THR A 70 40.875 -16.485 -7.655 1.00 55.14 H new ATOM 0 HG21 THR A 70 42.344 -14.668 -7.150 1.00 25.33 H new ATOM 0 HG22 THR A 70 42.006 -13.744 -5.667 1.00 25.33 H new ATOM 0 HG23 THR A 70 42.640 -15.404 -5.556 1.00 25.33 H new ATOM 1111 N GLY A 71 38.660 -14.037 -3.191 1.00 3.55 N ATOM 1112 CA GLY A 71 38.073 -12.803 -2.702 1.00 72.25 C ATOM 1113 C GLY A 71 38.924 -12.135 -1.641 1.00 23.21 C ATOM 1114 O GLY A 71 39.891 -12.721 -1.153 1.00 72.51 O ATOM 0 H GLY A 71 38.394 -14.874 -2.672 1.00 3.55 H new ATOM 0 HA2 GLY A 71 37.933 -12.116 -3.536 1.00 72.25 H new ATOM 0 HA3 GLY A 71 37.085 -13.012 -2.292 1.00 72.25 H new ATOM 1118 N SER A 72 38.566 -10.906 -1.283 1.00 25.21 N ATOM 1119 CA SER A 72 39.307 -10.157 -0.276 1.00 15.54 C ATOM 1120 C SER A 72 38.460 -9.941 0.973 1.00 35.12 C ATOM 1121 O SER A 72 37.368 -10.494 1.099 1.00 24.14 O ATOM 1122 CB SER A 72 39.755 -8.807 -0.843 1.00 20.51 C ATOM 1123 OG SER A 72 38.640 -8.000 -1.178 1.00 11.04 O ATOM 0 H SER A 72 37.767 -10.408 -1.676 1.00 25.21 H new ATOM 0 HA SER A 72 40.187 -10.738 -0.000 1.00 15.54 H new ATOM 0 HB2 SER A 72 40.376 -8.290 -0.111 1.00 20.51 H new ATOM 0 HB3 SER A 72 40.371 -8.967 -1.728 1.00 20.51 H new ATOM 0 HG SER A 72 38.952 -7.143 -1.536 1.00 11.04 H new ATOM 1129 N GLU A 73 38.972 -9.131 1.896 1.00 2.23 N ATOM 1130 CA GLU A 73 38.263 -8.842 3.136 1.00 31.42 C ATOM 1131 C GLU A 73 36.932 -8.151 2.854 1.00 31.13 C ATOM 1132 O GLU A 73 35.921 -8.447 3.489 1.00 72.21 O ATOM 1133 CB GLU A 73 39.123 -7.965 4.049 1.00 12.33 C ATOM 1134 CG GLU A 73 39.102 -8.397 5.505 1.00 62.04 C ATOM 1135 CD GLU A 73 39.982 -9.605 5.769 1.00 53.11 C ATOM 1136 OE1 GLU A 73 40.825 -9.923 4.904 1.00 34.53 O ATOM 1137 OE2 GLU A 73 39.826 -10.230 6.838 1.00 25.11 O ATOM 0 H GLU A 73 39.875 -8.664 1.807 1.00 2.23 H new ATOM 0 HA GLU A 73 38.062 -9.788 3.638 1.00 31.42 H new ATOM 0 HB2 GLU A 73 40.152 -7.980 3.689 1.00 12.33 H new ATOM 0 HB3 GLU A 73 38.776 -6.934 3.980 1.00 12.33 H new ATOM 0 HG2 GLU A 73 39.432 -7.568 6.131 1.00 62.04 H new ATOM 0 HG3 GLU A 73 38.077 -8.628 5.797 1.00 62.04 H new ATOM 1144 N GLU A 74 36.944 -7.226 1.899 1.00 72.35 N ATOM 1145 CA GLU A 74 35.738 -6.491 1.535 1.00 42.43 C ATOM 1146 C GLU A 74 34.643 -7.443 1.061 1.00 1.53 C ATOM 1147 O GLU A 74 33.478 -7.302 1.435 1.00 43.03 O ATOM 1148 CB GLU A 74 36.049 -5.469 0.439 1.00 35.42 C ATOM 1149 CG GLU A 74 36.745 -4.220 0.952 1.00 23.23 C ATOM 1150 CD GLU A 74 37.156 -3.280 -0.165 1.00 31.21 C ATOM 1151 OE1 GLU A 74 36.277 -2.884 -0.959 1.00 44.03 O ATOM 1152 OE2 GLU A 74 38.355 -2.940 -0.244 1.00 42.04 O ATOM 0 H GLU A 74 37.774 -6.968 1.364 1.00 72.35 H new ATOM 0 HA GLU A 74 35.381 -5.966 2.421 1.00 42.43 H new ATOM 0 HB2 GLU A 74 36.677 -5.940 -0.318 1.00 35.42 H new ATOM 0 HB3 GLU A 74 35.119 -5.181 -0.052 1.00 35.42 H new ATOM 0 HG2 GLU A 74 36.081 -3.694 1.638 1.00 23.23 H new ATOM 0 HG3 GLU A 74 37.628 -4.509 1.522 1.00 23.23 H new ATOM 1159 N LEU A 75 35.025 -8.411 0.235 1.00 5.20 N ATOM 1160 CA LEU A 75 34.077 -9.387 -0.291 1.00 74.11 C ATOM 1161 C LEU A 75 33.633 -10.357 0.799 1.00 21.14 C ATOM 1162 O LEU A 75 32.467 -10.744 0.862 1.00 71.24 O ATOM 1163 CB LEU A 75 34.702 -10.159 -1.454 1.00 73.45 C ATOM 1164 CG LEU A 75 33.725 -10.891 -2.375 1.00 1.43 C ATOM 1165 CD1 LEU A 75 33.917 -10.448 -3.817 1.00 23.21 C ATOM 1166 CD2 LEU A 75 33.902 -12.397 -2.250 1.00 21.41 C ATOM 0 H LEU A 75 35.985 -8.541 -0.085 1.00 5.20 H new ATOM 0 HA LEU A 75 33.200 -8.848 -0.651 1.00 74.11 H new ATOM 0 HB2 LEU A 75 35.284 -9.461 -2.056 1.00 73.45 H new ATOM 0 HB3 LEU A 75 35.401 -10.889 -1.046 1.00 73.45 H new ATOM 0 HG LEU A 75 32.709 -10.638 -2.071 1.00 1.43 H new ATOM 0 HD11 LEU A 75 33.213 -10.979 -4.458 1.00 23.21 H new ATOM 0 HD12 LEU A 75 33.740 -9.375 -3.895 1.00 23.21 H new ATOM 0 HD13 LEU A 75 34.936 -10.671 -4.134 1.00 23.21 H new ATOM 0 HD21 LEU A 75 33.199 -12.902 -2.912 1.00 21.41 H new ATOM 0 HD22 LEU A 75 34.921 -12.668 -2.528 1.00 21.41 H new ATOM 0 HD23 LEU A 75 33.713 -12.701 -1.220 1.00 21.41 H new ATOM 1178 N ARG A 76 34.572 -10.746 1.656 1.00 53.03 N ATOM 1179 CA ARG A 76 34.277 -11.670 2.744 1.00 21.43 C ATOM 1180 C ARG A 76 33.140 -11.142 3.614 1.00 52.22 C ATOM 1181 O ARG A 76 32.132 -11.820 3.813 1.00 72.42 O ATOM 1182 CB ARG A 76 35.525 -11.898 3.600 1.00 34.03 C ATOM 1183 CG ARG A 76 35.851 -13.365 3.824 1.00 61.41 C ATOM 1184 CD ARG A 76 36.769 -13.555 5.022 1.00 30.21 C ATOM 1185 NE ARG A 76 36.040 -13.497 6.286 1.00 34.12 N ATOM 1186 CZ ARG A 76 35.354 -14.519 6.786 1.00 32.14 C ATOM 1187 NH1 ARG A 76 35.306 -15.672 6.134 1.00 10.23 N ATOM 1188 NH2 ARG A 76 34.717 -14.388 7.943 1.00 50.22 N ATOM 0 H ARG A 76 35.543 -10.436 1.618 1.00 53.03 H new ATOM 0 HA ARG A 76 33.966 -12.619 2.307 1.00 21.43 H new ATOM 0 HB2 ARG A 76 36.377 -11.414 3.121 1.00 34.03 H new ATOM 0 HB3 ARG A 76 35.385 -11.414 4.567 1.00 34.03 H new ATOM 0 HG2 ARG A 76 34.928 -13.924 3.979 1.00 61.41 H new ATOM 0 HG3 ARG A 76 36.326 -13.774 2.932 1.00 61.41 H new ATOM 0 HD2 ARG A 76 37.277 -14.516 4.940 1.00 30.21 H new ATOM 0 HD3 ARG A 76 37.540 -12.785 5.013 1.00 30.21 H new ATOM 0 HE ARG A 76 36.058 -12.624 6.814 1.00 34.12 H new ATOM 0 HH11 ARG A 76 35.797 -15.776 5.246 1.00 10.23 H new ATOM 0 HH12 ARG A 76 34.779 -16.455 6.520 1.00 10.23 H new ATOM 0 HH21 ARG A 76 34.754 -13.503 8.448 1.00 50.22 H new ATOM 0 HH22 ARG A 76 34.190 -15.173 8.327 1.00 50.22 H new ATOM 1202 N SER A 77 33.309 -9.929 4.128 1.00 31.53 N ATOM 1203 CA SER A 77 32.299 -9.311 4.980 1.00 21.33 C ATOM 1204 C SER A 77 30.931 -9.340 4.306 1.00 34.44 C ATOM 1205 O SER A 77 29.907 -9.542 4.962 1.00 14.30 O ATOM 1206 CB SER A 77 32.690 -7.869 5.307 1.00 72.23 C ATOM 1207 OG SER A 77 33.401 -7.799 6.531 1.00 15.14 O ATOM 0 H SER A 77 34.136 -9.354 3.970 1.00 31.53 H new ATOM 0 HA SER A 77 32.241 -9.882 5.907 1.00 21.33 H new ATOM 0 HB2 SER A 77 33.304 -7.464 4.502 1.00 72.23 H new ATOM 0 HB3 SER A 77 31.794 -7.251 5.367 1.00 72.23 H new ATOM 0 HG SER A 77 33.641 -6.867 6.717 1.00 15.14 H new ATOM 1213 N LEU A 78 30.920 -9.134 2.994 1.00 12.12 N ATOM 1214 CA LEU A 78 29.678 -9.135 2.229 1.00 75.55 C ATOM 1215 C LEU A 78 28.972 -10.484 2.338 1.00 10.15 C ATOM 1216 O LEU A 78 27.819 -10.561 2.761 1.00 13.51 O ATOM 1217 CB LEU A 78 29.959 -8.810 0.761 1.00 20.31 C ATOM 1218 CG LEU A 78 29.612 -7.391 0.309 1.00 62.31 C ATOM 1219 CD1 LEU A 78 28.141 -7.096 0.561 1.00 5.42 C ATOM 1220 CD2 LEU A 78 30.492 -6.374 1.023 1.00 60.24 C ATOM 0 H LEU A 78 31.758 -8.964 2.437 1.00 12.12 H new ATOM 0 HA LEU A 78 29.024 -8.369 2.645 1.00 75.55 H new ATOM 0 HB2 LEU A 78 31.018 -8.983 0.568 1.00 20.31 H new ATOM 0 HB3 LEU A 78 29.403 -9.513 0.141 1.00 20.31 H new ATOM 0 HG LEU A 78 29.799 -7.315 -0.762 1.00 62.31 H new ATOM 0 HD11 LEU A 78 27.912 -6.082 0.233 1.00 5.42 H new ATOM 0 HD12 LEU A 78 27.527 -7.804 0.005 1.00 5.42 H new ATOM 0 HD13 LEU A 78 27.928 -7.190 1.626 1.00 5.42 H new ATOM 0 HD21 LEU A 78 30.231 -5.370 0.689 1.00 60.24 H new ATOM 0 HD22 LEU A 78 30.337 -6.451 2.099 1.00 60.24 H new ATOM 0 HD23 LEU A 78 31.539 -6.573 0.792 1.00 60.24 H new ATOM 1232 N TYR A 79 29.675 -11.545 1.956 1.00 32.01 N ATOM 1233 CA TYR A 79 29.116 -12.890 2.009 1.00 22.32 C ATOM 1234 C TYR A 79 28.547 -13.189 3.394 1.00 52.42 C ATOM 1235 O TYR A 79 27.596 -13.957 3.532 1.00 24.55 O ATOM 1236 CB TYR A 79 30.186 -13.924 1.654 1.00 0.32 C ATOM 1237 CG TYR A 79 29.622 -15.220 1.118 1.00 21.22 C ATOM 1238 CD1 TYR A 79 28.945 -15.258 -0.095 1.00 31.12 C ATOM 1239 CD2 TYR A 79 29.764 -16.407 1.826 1.00 64.12 C ATOM 1240 CE1 TYR A 79 28.427 -16.440 -0.587 1.00 63.42 C ATOM 1241 CE2 TYR A 79 29.250 -17.595 1.341 1.00 12.15 C ATOM 1242 CZ TYR A 79 28.583 -17.606 0.135 1.00 1.32 C ATOM 1243 OH TYR A 79 28.068 -18.786 -0.351 1.00 42.41 O ATOM 0 H TYR A 79 30.632 -11.499 1.607 1.00 32.01 H new ATOM 0 HA TYR A 79 28.307 -12.948 1.281 1.00 22.32 H new ATOM 0 HB2 TYR A 79 30.860 -13.497 0.912 1.00 0.32 H new ATOM 0 HB3 TYR A 79 30.782 -14.137 2.541 1.00 0.32 H new ATOM 0 HD1 TYR A 79 28.822 -14.348 -0.663 1.00 31.12 H new ATOM 0 HD2 TYR A 79 30.285 -16.401 2.772 1.00 64.12 H new ATOM 0 HE1 TYR A 79 27.903 -16.452 -1.531 1.00 63.42 H new ATOM 0 HE2 TYR A 79 29.370 -18.509 1.904 1.00 12.15 H new ATOM 0 HH TYR A 79 28.265 -19.512 0.277 1.00 42.41 H new ATOM 1253 N ASN A 80 29.135 -12.573 4.413 1.00 62.52 N ATOM 1254 CA ASN A 80 28.686 -12.772 5.787 1.00 30.30 C ATOM 1255 C ASN A 80 27.330 -12.112 6.018 1.00 10.44 C ATOM 1256 O ASN A 80 26.357 -12.776 6.376 1.00 15.21 O ATOM 1257 CB ASN A 80 29.715 -12.205 6.768 1.00 1.00 C ATOM 1258 CG ASN A 80 31.088 -12.824 6.589 1.00 52.53 C ATOM 1259 OD1 ASN A 80 32.078 -12.118 6.399 1.00 14.23 O ATOM 1260 ND2 ASN A 80 31.152 -14.149 6.646 1.00 71.22 N ATOM 0 H ASN A 80 29.923 -11.932 4.315 1.00 62.52 H new ATOM 0 HA ASN A 80 28.582 -13.844 5.957 1.00 30.30 H new ATOM 0 HB2 ASN A 80 29.786 -11.126 6.632 1.00 1.00 H new ATOM 0 HB3 ASN A 80 29.373 -12.376 7.789 1.00 1.00 H new ATOM 0 HD21 ASN A 80 32.048 -14.622 6.530 1.00 71.22 H new ATOM 0 HD22 ASN A 80 30.305 -14.694 6.806 1.00 71.22 H new ATOM 1267 N THR A 81 27.273 -10.801 5.808 1.00 32.13 N ATOM 1268 CA THR A 81 26.036 -10.050 5.992 1.00 4.05 C ATOM 1269 C THR A 81 24.942 -10.556 5.060 1.00 51.21 C ATOM 1270 O THR A 81 23.830 -10.855 5.497 1.00 33.44 O ATOM 1271 CB THR A 81 26.251 -8.545 5.745 1.00 32.54 C ATOM 1272 OG1 THR A 81 27.372 -8.078 6.505 1.00 51.21 O ATOM 1273 CG2 THR A 81 25.010 -7.752 6.124 1.00 21.40 C ATOM 0 H THR A 81 28.069 -10.237 5.510 1.00 32.13 H new ATOM 0 HA THR A 81 25.726 -10.200 7.026 1.00 4.05 H new ATOM 0 HB THR A 81 26.447 -8.398 4.683 1.00 32.54 H new ATOM 0 HG1 THR A 81 27.503 -7.121 6.341 1.00 51.21 H new ATOM 0 HG21 THR A 81 25.186 -6.692 5.941 1.00 21.40 H new ATOM 0 HG22 THR A 81 24.165 -8.089 5.523 1.00 21.40 H new ATOM 0 HG23 THR A 81 24.788 -7.906 7.180 1.00 21.40 H new ATOM 1281 N ILE A 82 25.264 -10.650 3.775 1.00 50.43 N ATOM 1282 CA ILE A 82 24.307 -11.121 2.781 1.00 61.33 C ATOM 1283 C ILE A 82 23.689 -12.451 3.201 1.00 64.32 C ATOM 1284 O ILE A 82 22.541 -12.746 2.869 1.00 54.43 O ATOM 1285 CB ILE A 82 24.966 -11.289 1.399 1.00 74.34 C ATOM 1286 CG1 ILE A 82 25.566 -9.961 0.933 1.00 1.51 C ATOM 1287 CG2 ILE A 82 23.952 -11.802 0.387 1.00 41.02 C ATOM 1288 CD1 ILE A 82 26.594 -10.115 -0.167 1.00 62.23 C ATOM 0 H ILE A 82 26.180 -10.407 3.397 1.00 50.43 H new ATOM 0 HA ILE A 82 23.526 -10.364 2.712 1.00 61.33 H new ATOM 0 HB ILE A 82 25.769 -12.021 1.482 1.00 74.34 H new ATOM 0 HG12 ILE A 82 24.764 -9.313 0.581 1.00 1.51 H new ATOM 0 HG13 ILE A 82 26.029 -9.462 1.784 1.00 1.51 H new ATOM 0 HG21 ILE A 82 24.433 -11.915 -0.585 1.00 41.02 H new ATOM 0 HG22 ILE A 82 23.566 -12.767 0.716 1.00 41.02 H new ATOM 0 HG23 ILE A 82 23.130 -11.092 0.304 1.00 41.02 H new ATOM 0 HD11 ILE A 82 26.977 -9.134 -0.447 1.00 62.23 H new ATOM 0 HD12 ILE A 82 27.416 -10.737 0.188 1.00 62.23 H new ATOM 0 HD13 ILE A 82 26.131 -10.585 -1.034 1.00 62.23 H new ATOM 1300 N ALA A 83 24.458 -13.249 3.935 1.00 42.34 N ATOM 1301 CA ALA A 83 23.985 -14.546 4.403 1.00 75.01 C ATOM 1302 C ALA A 83 22.886 -14.385 5.448 1.00 13.32 C ATOM 1303 O ALA A 83 21.772 -14.879 5.274 1.00 2.14 O ATOM 1304 CB ALA A 83 25.141 -15.356 4.971 1.00 34.21 C ATOM 0 H ALA A 83 25.411 -13.020 4.218 1.00 42.34 H new ATOM 0 HA ALA A 83 23.565 -15.081 3.551 1.00 75.01 H new ATOM 0 HB1 ALA A 83 24.773 -16.322 5.317 1.00 34.21 H new ATOM 0 HB2 ALA A 83 25.893 -15.510 4.197 1.00 34.21 H new ATOM 0 HB3 ALA A 83 25.587 -14.817 5.807 1.00 34.21 H new ATOM 1310 N VAL A 84 23.207 -13.689 6.534 1.00 34.40 N ATOM 1311 CA VAL A 84 22.246 -13.462 7.608 1.00 61.11 C ATOM 1312 C VAL A 84 21.008 -12.737 7.093 1.00 74.14 C ATOM 1313 O VAL A 84 19.888 -13.012 7.526 1.00 65.51 O ATOM 1314 CB VAL A 84 22.868 -12.642 8.754 1.00 74.33 C ATOM 1315 CG1 VAL A 84 21.883 -12.500 9.905 1.00 1.50 C ATOM 1316 CG2 VAL A 84 24.163 -13.285 9.226 1.00 2.14 C ATOM 0 H VAL A 84 24.124 -13.273 6.694 1.00 34.40 H new ATOM 0 HA VAL A 84 21.958 -14.442 7.988 1.00 61.11 H new ATOM 0 HB VAL A 84 23.099 -11.644 8.380 1.00 74.33 H new ATOM 0 HG11 VAL A 84 22.340 -11.918 10.705 1.00 1.50 H new ATOM 0 HG12 VAL A 84 20.984 -11.992 9.554 1.00 1.50 H new ATOM 0 HG13 VAL A 84 21.618 -13.488 10.281 1.00 1.50 H new ATOM 0 HG21 VAL A 84 24.589 -12.693 10.036 1.00 2.14 H new ATOM 0 HG22 VAL A 84 23.959 -14.294 9.583 1.00 2.14 H new ATOM 0 HG23 VAL A 84 24.870 -13.329 8.398 1.00 2.14 H new ATOM 1326 N LEU A 85 21.215 -11.809 6.165 1.00 35.23 N ATOM 1327 CA LEU A 85 20.116 -11.043 5.590 1.00 54.13 C ATOM 1328 C LEU A 85 19.143 -11.957 4.852 1.00 45.24 C ATOM 1329 O LEU A 85 17.954 -12.000 5.167 1.00 54.54 O ATOM 1330 CB LEU A 85 20.655 -9.977 4.635 1.00 33.33 C ATOM 1331 CG LEU A 85 20.230 -8.537 4.927 1.00 42.43 C ATOM 1332 CD1 LEU A 85 21.425 -7.706 5.365 1.00 11.41 C ATOM 1333 CD2 LEU A 85 19.567 -7.919 3.704 1.00 74.34 C ATOM 0 H LEU A 85 22.135 -11.569 5.795 1.00 35.23 H new ATOM 0 HA LEU A 85 19.581 -10.555 6.405 1.00 54.13 H new ATOM 0 HB2 LEU A 85 21.744 -10.023 4.648 1.00 33.33 H new ATOM 0 HB3 LEU A 85 20.338 -10.230 3.623 1.00 33.33 H new ATOM 0 HG LEU A 85 19.505 -8.550 5.741 1.00 42.43 H new ATOM 0 HD11 LEU A 85 21.103 -6.685 5.568 1.00 11.41 H new ATOM 0 HD12 LEU A 85 21.856 -8.137 6.268 1.00 11.41 H new ATOM 0 HD13 LEU A 85 22.174 -7.700 4.573 1.00 11.41 H new ATOM 0 HD21 LEU A 85 19.271 -6.894 3.929 1.00 74.34 H new ATOM 0 HD22 LEU A 85 20.269 -7.919 2.870 1.00 74.34 H new ATOM 0 HD23 LEU A 85 18.685 -8.501 3.435 1.00 74.34 H new ATOM 1345 N TYR A 86 19.657 -12.689 3.869 1.00 21.43 N ATOM 1346 CA TYR A 86 18.835 -13.604 3.086 1.00 53.31 C ATOM 1347 C TYR A 86 18.045 -14.541 3.995 1.00 3.32 C ATOM 1348 O TYR A 86 16.839 -14.719 3.825 1.00 4.41 O ATOM 1349 CB TYR A 86 19.709 -14.417 2.130 1.00 52.15 C ATOM 1350 CG TYR A 86 18.965 -15.533 1.431 1.00 74.22 C ATOM 1351 CD1 TYR A 86 18.886 -16.801 1.994 1.00 41.22 C ATOM 1352 CD2 TYR A 86 18.342 -15.319 0.208 1.00 52.04 C ATOM 1353 CE1 TYR A 86 18.208 -17.823 1.358 1.00 3.54 C ATOM 1354 CE2 TYR A 86 17.660 -16.335 -0.434 1.00 21.32 C ATOM 1355 CZ TYR A 86 17.597 -17.585 0.145 1.00 51.44 C ATOM 1356 OH TYR A 86 16.920 -18.600 -0.492 1.00 24.32 O ATOM 0 H TYR A 86 20.639 -12.666 3.596 1.00 21.43 H new ATOM 0 HA TYR A 86 18.128 -13.011 2.505 1.00 53.31 H new ATOM 0 HB2 TYR A 86 20.132 -13.748 1.380 1.00 52.15 H new ATOM 0 HB3 TYR A 86 20.544 -14.841 2.687 1.00 52.15 H new ATOM 0 HD1 TYR A 86 19.362 -16.991 2.944 1.00 41.22 H new ATOM 0 HD2 TYR A 86 18.392 -14.342 -0.249 1.00 52.04 H new ATOM 0 HE1 TYR A 86 18.157 -18.803 1.809 1.00 3.54 H new ATOM 0 HE2 TYR A 86 17.179 -16.151 -1.383 1.00 21.32 H new ATOM 0 HH TYR A 86 16.547 -18.266 -1.334 1.00 24.32 H new ATOM 1366 N CYS A 87 18.735 -15.138 4.960 1.00 23.14 N ATOM 1367 CA CYS A 87 18.101 -16.058 5.897 1.00 31.10 C ATOM 1368 C CYS A 87 16.870 -15.422 6.534 1.00 64.22 C ATOM 1369 O CYS A 87 15.804 -16.035 6.596 1.00 53.42 O ATOM 1370 CB CYS A 87 19.093 -16.477 6.984 1.00 11.44 C ATOM 1371 SG CYS A 87 20.005 -17.991 6.606 1.00 3.13 S ATOM 0 H CYS A 87 19.734 -15.001 5.114 1.00 23.14 H new ATOM 0 HA CYS A 87 17.786 -16.942 5.343 1.00 31.10 H new ATOM 0 HB2 CYS A 87 19.805 -15.667 7.143 1.00 11.44 H new ATOM 0 HB3 CYS A 87 18.553 -16.615 7.920 1.00 11.44 H new ATOM 0 HG CYS A 87 19.937 -18.803 7.619 1.00 3.13 H new ATOM 1377 N VAL A 88 17.024 -14.190 7.009 1.00 3.42 N ATOM 1378 CA VAL A 88 15.925 -13.471 7.641 1.00 22.45 C ATOM 1379 C VAL A 88 14.721 -13.378 6.711 1.00 62.21 C ATOM 1380 O VAL A 88 13.602 -13.726 7.089 1.00 64.42 O ATOM 1381 CB VAL A 88 16.350 -12.050 8.057 1.00 0.11 C ATOM 1382 CG1 VAL A 88 15.184 -11.309 8.694 1.00 25.25 C ATOM 1383 CG2 VAL A 88 17.539 -12.105 9.003 1.00 30.52 C ATOM 0 H VAL A 88 17.900 -13.669 6.968 1.00 3.42 H new ATOM 0 HA VAL A 88 15.649 -14.035 8.532 1.00 22.45 H new ATOM 0 HB VAL A 88 16.652 -11.503 7.164 1.00 0.11 H new ATOM 0 HG11 VAL A 88 15.503 -10.307 8.981 1.00 25.25 H new ATOM 0 HG12 VAL A 88 14.364 -11.238 7.979 1.00 25.25 H new ATOM 0 HG13 VAL A 88 14.848 -11.851 9.578 1.00 25.25 H new ATOM 0 HG21 VAL A 88 17.826 -11.092 9.286 1.00 30.52 H new ATOM 0 HG22 VAL A 88 17.268 -12.669 9.896 1.00 30.52 H new ATOM 0 HG23 VAL A 88 18.377 -12.594 8.506 1.00 30.52 H new ATOM 1393 N HIS A 89 14.958 -12.907 5.491 1.00 53.10 N ATOM 1394 CA HIS A 89 13.893 -12.768 4.503 1.00 64.44 C ATOM 1395 C HIS A 89 13.204 -14.108 4.257 1.00 23.44 C ATOM 1396 O HIS A 89 12.044 -14.080 3.850 1.00 51.24 O ATOM 1397 CB HIS A 89 14.452 -12.221 3.190 1.00 24.20 C ATOM 1398 CG HIS A 89 14.773 -10.759 3.240 1.00 33.02 C ATOM 1399 ND1 HIS A 89 13.981 -9.836 3.890 1.00 33.21 N ATOM 1400 CD2 HIS A 89 15.807 -10.060 2.715 1.00 44.53 C ATOM 1401 CE1 HIS A 89 14.514 -8.634 3.763 1.00 3.42 C ATOM 1402 NE2 HIS A 89 15.624 -8.743 3.054 1.00 63.42 N ATOM 0 H HIS A 89 15.878 -12.615 5.162 1.00 53.10 H new ATOM 0 HA HIS A 89 13.157 -12.066 4.895 1.00 64.44 H new ATOM 0 HB2 HIS A 89 15.354 -12.774 2.930 1.00 24.20 H new ATOM 0 HB3 HIS A 89 13.729 -12.399 2.394 1.00 24.20 H new ATOM 0 HD1 HIS A 89 13.118 -10.048 4.391 1.00 33.21 H new ATOM 0 HD2 HIS A 89 16.625 -10.464 2.136 1.00 44.53 H new ATOM 0 HE1 HIS A 89 14.111 -7.718 4.169 1.00 3.42 H new ATOM 0 HE2 HIS A 89 16.244 -7.974 2.800 1.00 63.42 H new ATOM 1411 N GLN A 90 13.866 -15.239 4.484 1.00 22.54 N ATOM 1412 CA GLN A 90 13.250 -16.542 4.262 1.00 34.24 C ATOM 1413 C GLN A 90 12.708 -17.117 5.567 1.00 11.44 C ATOM 1414 O GLN A 90 12.589 -18.333 5.717 1.00 72.43 O ATOM 1415 CB GLN A 90 14.261 -17.509 3.645 1.00 61.21 C ATOM 1416 CG GLN A 90 14.380 -17.382 2.135 1.00 32.03 C ATOM 1417 CD GLN A 90 13.050 -17.547 1.427 1.00 62.42 C ATOM 1418 OE1 GLN A 90 12.157 -18.239 1.917 1.00 74.54 O ATOM 1419 NE2 GLN A 90 12.911 -16.913 0.270 1.00 44.13 N ATOM 0 H GLN A 90 14.828 -15.279 4.821 1.00 22.54 H new ATOM 0 HA GLN A 90 12.417 -16.410 3.571 1.00 34.24 H new ATOM 0 HB2 GLN A 90 15.239 -17.335 4.094 1.00 61.21 H new ATOM 0 HB3 GLN A 90 13.973 -18.530 3.894 1.00 61.21 H new ATOM 0 HG2 GLN A 90 14.799 -16.407 1.889 1.00 32.03 H new ATOM 0 HG3 GLN A 90 15.079 -18.132 1.765 1.00 32.03 H new ATOM 0 HE21 GLN A 90 13.678 -16.350 -0.098 1.00 44.13 H new ATOM 0 HE22 GLN A 90 12.037 -16.988 -0.251 1.00 44.13 H new ATOM 1428 N ARG A 91 12.384 -16.236 6.508 1.00 4.33 N ATOM 1429 CA ARG A 91 11.858 -16.657 7.801 1.00 45.45 C ATOM 1430 C ARG A 91 12.814 -17.629 8.486 1.00 44.12 C ATOM 1431 O ARG A 91 12.397 -18.452 9.302 1.00 24.14 O ATOM 1432 CB ARG A 91 10.486 -17.311 7.627 1.00 72.52 C ATOM 1433 CG ARG A 91 9.434 -16.785 8.591 1.00 3.44 C ATOM 1434 CD ARG A 91 8.097 -16.580 7.898 1.00 41.32 C ATOM 1435 NE ARG A 91 6.986 -16.559 8.847 1.00 40.41 N ATOM 1436 CZ ARG A 91 6.711 -15.525 9.633 1.00 12.42 C ATOM 1437 NH1 ARG A 91 7.461 -14.433 9.584 1.00 11.23 N ATOM 1438 NH2 ARG A 91 5.683 -15.581 10.470 1.00 4.34 N ATOM 0 H ARG A 91 12.477 -15.226 6.399 1.00 4.33 H new ATOM 0 HA ARG A 91 11.755 -15.773 8.430 1.00 45.45 H new ATOM 0 HB2 ARG A 91 10.143 -17.150 6.605 1.00 72.52 H new ATOM 0 HB3 ARG A 91 10.586 -18.388 7.764 1.00 72.52 H new ATOM 0 HG2 ARG A 91 9.313 -17.486 9.417 1.00 3.44 H new ATOM 0 HG3 ARG A 91 9.771 -15.841 9.020 1.00 3.44 H new ATOM 0 HD2 ARG A 91 8.117 -15.643 7.342 1.00 41.32 H new ATOM 0 HD3 ARG A 91 7.939 -17.378 7.172 1.00 41.32 H new ATOM 0 HE ARG A 91 6.389 -17.384 8.909 1.00 40.41 H new ATOM 0 HH11 ARG A 91 8.252 -14.386 8.941 1.00 11.23 H new ATOM 0 HH12 ARG A 91 7.247 -13.640 10.189 1.00 11.23 H new ATOM 0 HH21 ARG A 91 5.103 -16.419 10.510 1.00 4.34 H new ATOM 0 HH22 ARG A 91 5.473 -14.786 11.073 1.00 4.34 H new ATOM 1452 N ILE A 92 14.095 -17.528 8.149 1.00 73.01 N ATOM 1453 CA ILE A 92 15.109 -18.397 8.733 1.00 4.11 C ATOM 1454 C ILE A 92 15.804 -17.718 9.908 1.00 23.22 C ATOM 1455 O ILE A 92 16.436 -16.674 9.750 1.00 3.15 O ATOM 1456 CB ILE A 92 16.167 -18.806 7.691 1.00 15.14 C ATOM 1457 CG1 ILE A 92 15.490 -19.306 6.414 1.00 11.31 C ATOM 1458 CG2 ILE A 92 17.087 -19.874 8.263 1.00 11.34 C ATOM 1459 CD1 ILE A 92 16.467 -19.712 5.332 1.00 64.14 C ATOM 0 H ILE A 92 14.455 -16.853 7.475 1.00 73.01 H new ATOM 0 HA ILE A 92 14.594 -19.291 9.086 1.00 4.11 H new ATOM 0 HB ILE A 92 16.768 -17.932 7.442 1.00 15.14 H new ATOM 0 HG12 ILE A 92 14.856 -20.158 6.658 1.00 11.31 H new ATOM 0 HG13 ILE A 92 14.837 -18.523 6.028 1.00 11.31 H new ATOM 0 HG21 ILE A 92 17.829 -20.153 7.515 1.00 11.34 H new ATOM 0 HG22 ILE A 92 17.591 -19.484 9.147 1.00 11.34 H new ATOM 0 HG23 ILE A 92 16.500 -20.751 8.537 1.00 11.34 H new ATOM 0 HD11 ILE A 92 15.917 -20.056 4.456 1.00 64.14 H new ATOM 0 HD12 ILE A 92 17.085 -18.856 5.060 1.00 64.14 H new ATOM 0 HD13 ILE A 92 17.104 -20.517 5.700 1.00 64.14 H new ATOM 1471 N ASP A 93 15.685 -18.319 11.087 1.00 71.32 N ATOM 1472 CA ASP A 93 16.304 -17.775 12.289 1.00 74.02 C ATOM 1473 C ASP A 93 17.645 -18.450 12.563 1.00 14.30 C ATOM 1474 O ASP A 93 17.698 -19.624 12.927 1.00 21.12 O ATOM 1475 CB ASP A 93 15.376 -17.952 13.492 1.00 72.43 C ATOM 1476 CG ASP A 93 14.842 -16.631 14.011 1.00 11.20 C ATOM 1477 OD1 ASP A 93 15.550 -15.976 14.805 1.00 54.12 O ATOM 1478 OD2 ASP A 93 13.718 -16.252 13.621 1.00 14.35 O ATOM 0 H ASP A 93 15.165 -19.184 11.235 1.00 71.32 H new ATOM 0 HA ASP A 93 16.478 -16.711 12.128 1.00 74.02 H new ATOM 0 HB2 ASP A 93 14.540 -18.593 13.211 1.00 72.43 H new ATOM 0 HB3 ASP A 93 15.915 -18.462 14.291 1.00 72.43 H new ATOM 1483 N VAL A 94 18.727 -17.698 12.384 1.00 43.13 N ATOM 1484 CA VAL A 94 20.068 -18.224 12.611 1.00 53.11 C ATOM 1485 C VAL A 94 20.683 -17.631 13.874 1.00 13.13 C ATOM 1486 O VAL A 94 20.425 -16.479 14.222 1.00 73.31 O ATOM 1487 CB VAL A 94 20.994 -17.932 11.416 1.00 11.34 C ATOM 1488 CG1 VAL A 94 20.638 -18.821 10.234 1.00 61.24 C ATOM 1489 CG2 VAL A 94 20.920 -16.463 11.031 1.00 0.40 C ATOM 0 H VAL A 94 18.701 -16.724 12.083 1.00 43.13 H new ATOM 0 HA VAL A 94 19.970 -19.303 12.730 1.00 53.11 H new ATOM 0 HB VAL A 94 22.019 -18.155 11.711 1.00 11.34 H new ATOM 0 HG11 VAL A 94 21.303 -18.600 9.399 1.00 61.24 H new ATOM 0 HG12 VAL A 94 20.749 -19.867 10.519 1.00 61.24 H new ATOM 0 HG13 VAL A 94 19.607 -18.634 9.935 1.00 61.24 H new ATOM 0 HG21 VAL A 94 21.581 -16.275 10.185 1.00 0.40 H new ATOM 0 HG22 VAL A 94 19.896 -16.210 10.755 1.00 0.40 H new ATOM 0 HG23 VAL A 94 21.230 -15.849 11.877 1.00 0.40 H new ATOM 1499 N LYS A 95 21.500 -18.426 14.557 1.00 53.42 N ATOM 1500 CA LYS A 95 22.156 -17.981 15.781 1.00 73.43 C ATOM 1501 C LYS A 95 23.384 -17.135 15.464 1.00 1.55 C ATOM 1502 O LYS A 95 23.791 -16.291 16.262 1.00 74.00 O ATOM 1503 CB LYS A 95 22.559 -19.185 16.635 1.00 54.50 C ATOM 1504 CG LYS A 95 22.377 -18.961 18.126 1.00 62.21 C ATOM 1505 CD LYS A 95 23.335 -19.817 18.938 1.00 73.43 C ATOM 1506 CE LYS A 95 23.649 -19.179 20.283 1.00 72.12 C ATOM 1507 NZ LYS A 95 24.183 -20.171 21.256 1.00 71.40 N ATOM 0 H LYS A 95 21.724 -19.383 14.283 1.00 53.42 H new ATOM 0 HA LYS A 95 21.449 -17.368 16.340 1.00 73.43 H new ATOM 0 HB2 LYS A 95 21.968 -20.049 16.331 1.00 54.50 H new ATOM 0 HB3 LYS A 95 23.603 -19.427 16.437 1.00 54.50 H new ATOM 0 HG2 LYS A 95 22.540 -17.909 18.360 1.00 62.21 H new ATOM 0 HG3 LYS A 95 21.350 -19.195 18.408 1.00 62.21 H new ATOM 0 HD2 LYS A 95 22.899 -20.804 19.095 1.00 73.43 H new ATOM 0 HD3 LYS A 95 24.259 -19.962 18.378 1.00 73.43 H new ATOM 0 HE2 LYS A 95 24.376 -18.379 20.144 1.00 72.12 H new ATOM 0 HE3 LYS A 95 22.746 -18.723 20.688 1.00 72.12 H new ATOM 0 HZ1 LYS A 95 24.384 -19.697 22.160 1.00 71.40 H new ATOM 0 HZ2 LYS A 95 23.479 -20.922 21.408 1.00 71.40 H new ATOM 0 HZ3 LYS A 95 25.059 -20.588 20.881 1.00 71.40 H new ATOM 1521 N ASP A 96 23.970 -17.366 14.293 1.00 71.20 N ATOM 1522 CA ASP A 96 25.150 -16.622 13.870 1.00 5.34 C ATOM 1523 C ASP A 96 25.240 -16.565 12.348 1.00 55.23 C ATOM 1524 O ASP A 96 24.407 -17.139 11.644 1.00 32.24 O ATOM 1525 CB ASP A 96 26.415 -17.264 14.443 1.00 44.40 C ATOM 1526 CG ASP A 96 26.460 -18.762 14.212 1.00 33.52 C ATOM 1527 OD1 ASP A 96 26.987 -19.186 13.162 1.00 34.10 O ATOM 1528 OD2 ASP A 96 25.970 -19.510 15.084 1.00 40.43 O ATOM 0 H ASP A 96 23.647 -18.062 13.621 1.00 71.20 H new ATOM 0 HA ASP A 96 25.063 -15.604 14.250 1.00 5.34 H new ATOM 0 HB2 ASP A 96 27.291 -16.803 13.988 1.00 44.40 H new ATOM 0 HB3 ASP A 96 26.468 -17.063 15.513 1.00 44.40 H new ATOM 1533 N THR A 97 26.253 -15.866 11.845 1.00 62.35 N ATOM 1534 CA THR A 97 26.448 -15.731 10.408 1.00 11.31 C ATOM 1535 C THR A 97 26.836 -17.064 9.777 1.00 70.31 C ATOM 1536 O THR A 97 26.462 -17.359 8.642 1.00 75.32 O ATOM 1537 CB THR A 97 27.535 -14.689 10.084 1.00 13.22 C ATOM 1538 OG1 THR A 97 27.157 -13.409 10.605 1.00 22.23 O ATOM 1539 CG2 THR A 97 27.756 -14.585 8.582 1.00 25.32 C ATOM 0 H THR A 97 26.951 -15.385 12.412 1.00 62.35 H new ATOM 0 HA THR A 97 25.498 -15.397 9.991 1.00 11.31 H new ATOM 0 HB THR A 97 28.466 -15.011 10.550 1.00 13.22 H new ATOM 0 HG1 THR A 97 27.872 -13.066 11.180 1.00 22.23 H new ATOM 0 HG21 THR A 97 28.528 -13.843 8.378 1.00 25.32 H new ATOM 0 HG22 THR A 97 28.071 -15.553 8.193 1.00 25.32 H new ATOM 0 HG23 THR A 97 26.827 -14.284 8.098 1.00 25.32 H new ATOM 1547 N LYS A 98 27.587 -17.869 10.521 1.00 32.14 N ATOM 1548 CA LYS A 98 28.024 -19.173 10.038 1.00 0.21 C ATOM 1549 C LYS A 98 26.829 -20.080 9.765 1.00 22.52 C ATOM 1550 O LYS A 98 26.695 -20.633 8.674 1.00 41.01 O ATOM 1551 CB LYS A 98 28.957 -19.832 11.056 1.00 14.15 C ATOM 1552 CG LYS A 98 30.024 -20.709 10.425 1.00 60.53 C ATOM 1553 CD LYS A 98 30.484 -21.800 11.378 1.00 34.31 C ATOM 1554 CE LYS A 98 30.885 -23.061 10.630 1.00 25.03 C ATOM 1555 NZ LYS A 98 31.870 -23.873 11.399 1.00 54.13 N ATOM 0 H LYS A 98 27.906 -17.640 11.462 1.00 32.14 H new ATOM 0 HA LYS A 98 28.565 -19.023 9.104 1.00 0.21 H new ATOM 0 HB2 LYS A 98 29.441 -19.056 11.649 1.00 14.15 H new ATOM 0 HB3 LYS A 98 28.363 -20.434 11.744 1.00 14.15 H new ATOM 0 HG2 LYS A 98 29.632 -21.162 9.514 1.00 60.53 H new ATOM 0 HG3 LYS A 98 30.876 -20.095 10.135 1.00 60.53 H new ATOM 0 HD2 LYS A 98 31.329 -21.440 11.965 1.00 34.31 H new ATOM 0 HD3 LYS A 98 29.684 -22.032 12.081 1.00 34.31 H new ATOM 0 HE2 LYS A 98 29.998 -23.661 10.429 1.00 25.03 H new ATOM 0 HE3 LYS A 98 31.312 -22.790 9.665 1.00 25.03 H new ATOM 0 HZ1 LYS A 98 32.118 -24.724 10.855 1.00 54.13 H new ATOM 0 HZ2 LYS A 98 32.727 -23.309 11.569 1.00 54.13 H new ATOM 0 HZ3 LYS A 98 31.453 -24.153 12.310 1.00 54.13 H new ATOM 1569 N GLU A 99 25.964 -20.227 10.764 1.00 41.44 N ATOM 1570 CA GLU A 99 24.780 -21.068 10.629 1.00 11.11 C ATOM 1571 C GLU A 99 23.973 -20.678 9.394 1.00 32.31 C ATOM 1572 O GLU A 99 23.497 -21.537 8.654 1.00 71.33 O ATOM 1573 CB GLU A 99 23.905 -20.958 11.880 1.00 61.23 C ATOM 1574 CG GLU A 99 22.763 -21.960 11.913 1.00 75.23 C ATOM 1575 CD GLU A 99 23.204 -23.362 11.543 1.00 1.05 C ATOM 1576 OE1 GLU A 99 24.246 -23.812 12.065 1.00 32.11 O ATOM 1577 OE2 GLU A 99 22.510 -24.009 10.731 1.00 51.21 O ATOM 0 H GLU A 99 26.061 -19.776 11.674 1.00 41.44 H new ATOM 0 HA GLU A 99 25.110 -22.101 10.514 1.00 11.11 H new ATOM 0 HB2 GLU A 99 24.528 -21.101 12.763 1.00 61.23 H new ATOM 0 HB3 GLU A 99 23.495 -19.950 11.939 1.00 61.23 H new ATOM 0 HG2 GLU A 99 22.325 -21.973 12.911 1.00 75.23 H new ATOM 0 HG3 GLU A 99 21.981 -21.636 11.226 1.00 75.23 H new ATOM 1584 N ALA A 100 23.822 -19.374 9.181 1.00 20.10 N ATOM 1585 CA ALA A 100 23.074 -18.870 8.037 1.00 13.43 C ATOM 1586 C ALA A 100 23.696 -19.336 6.725 1.00 65.13 C ATOM 1587 O ALA A 100 23.015 -19.436 5.703 1.00 70.22 O ATOM 1588 CB ALA A 100 23.006 -17.350 8.078 1.00 22.33 C ATOM 0 H ALA A 100 24.208 -18.649 9.786 1.00 20.10 H new ATOM 0 HA ALA A 100 22.062 -19.271 8.093 1.00 13.43 H new ATOM 0 HB1 ALA A 100 22.444 -16.988 7.217 1.00 22.33 H new ATOM 0 HB2 ALA A 100 22.510 -17.033 8.995 1.00 22.33 H new ATOM 0 HB3 ALA A 100 24.016 -16.940 8.051 1.00 22.33 H new ATOM 1594 N LEU A 101 24.993 -19.621 6.758 1.00 61.42 N ATOM 1595 CA LEU A 101 25.707 -20.078 5.572 1.00 3.33 C ATOM 1596 C LEU A 101 25.410 -21.547 5.288 1.00 3.02 C ATOM 1597 O LEU A 101 25.148 -21.929 4.148 1.00 53.12 O ATOM 1598 CB LEU A 101 27.213 -19.876 5.749 1.00 11.12 C ATOM 1599 CG LEU A 101 27.938 -19.181 4.595 1.00 30.31 C ATOM 1600 CD1 LEU A 101 27.647 -19.888 3.280 1.00 21.02 C ATOM 1601 CD2 LEU A 101 27.534 -17.716 4.516 1.00 52.44 C ATOM 0 H LEU A 101 25.572 -19.543 7.594 1.00 61.42 H new ATOM 0 HA LEU A 101 25.364 -19.487 4.723 1.00 3.33 H new ATOM 0 HB2 LEU A 101 27.377 -19.295 6.657 1.00 11.12 H new ATOM 0 HB3 LEU A 101 27.674 -20.851 5.906 1.00 11.12 H new ATOM 0 HG LEU A 101 29.011 -19.231 4.782 1.00 30.31 H new ATOM 0 HD11 LEU A 101 28.171 -19.380 2.470 1.00 21.02 H new ATOM 0 HD12 LEU A 101 27.987 -20.922 3.340 1.00 21.02 H new ATOM 0 HD13 LEU A 101 26.574 -19.869 3.086 1.00 21.02 H new ATOM 0 HD21 LEU A 101 28.060 -17.238 3.689 1.00 52.44 H new ATOM 0 HD22 LEU A 101 26.459 -17.643 4.353 1.00 52.44 H new ATOM 0 HD23 LEU A 101 27.794 -17.216 5.449 1.00 52.44 H new ATOM 1613 N ASP A 102 25.451 -22.366 6.333 1.00 34.25 N ATOM 1614 CA ASP A 102 25.182 -23.792 6.198 1.00 65.42 C ATOM 1615 C ASP A 102 23.754 -24.034 5.721 1.00 34.40 C ATOM 1616 O ASP A 102 23.493 -24.956 4.949 1.00 64.42 O ATOM 1617 CB ASP A 102 25.416 -24.506 7.532 1.00 13.50 C ATOM 1618 CG ASP A 102 25.648 -25.994 7.359 1.00 72.23 C ATOM 1619 OD1 ASP A 102 24.657 -26.729 7.163 1.00 64.21 O ATOM 1620 OD2 ASP A 102 26.818 -26.423 7.420 1.00 23.25 O ATOM 0 H ASP A 102 25.668 -22.066 7.283 1.00 34.25 H new ATOM 0 HA ASP A 102 25.867 -24.196 5.453 1.00 65.42 H new ATOM 0 HB2 ASP A 102 26.277 -24.063 8.032 1.00 13.50 H new ATOM 0 HB3 ASP A 102 24.555 -24.349 8.181 1.00 13.50 H new ATOM 1625 N LYS A 103 22.831 -23.199 6.188 1.00 41.55 N ATOM 1626 CA LYS A 103 21.428 -23.320 5.808 1.00 22.14 C ATOM 1627 C LYS A 103 21.247 -23.096 4.311 1.00 60.25 C ATOM 1628 O LYS A 103 20.430 -23.757 3.670 1.00 41.23 O ATOM 1629 CB LYS A 103 20.578 -22.316 6.592 1.00 2.43 C ATOM 1630 CG LYS A 103 19.101 -22.667 6.628 1.00 1.22 C ATOM 1631 CD LYS A 103 18.718 -23.330 7.940 1.00 72.02 C ATOM 1632 CE LYS A 103 18.762 -24.847 7.832 1.00 51.12 C ATOM 1633 NZ LYS A 103 17.790 -25.496 8.754 1.00 45.51 N ATOM 0 H LYS A 103 23.029 -22.432 6.830 1.00 41.55 H new ATOM 0 HA LYS A 103 21.099 -24.331 6.047 1.00 22.14 H new ATOM 0 HB2 LYS A 103 20.953 -22.255 7.614 1.00 2.43 H new ATOM 0 HB3 LYS A 103 20.697 -21.327 6.149 1.00 2.43 H new ATOM 0 HG2 LYS A 103 18.508 -21.763 6.489 1.00 1.22 H new ATOM 0 HG3 LYS A 103 18.864 -23.334 5.799 1.00 1.22 H new ATOM 0 HD2 LYS A 103 19.396 -23.000 8.727 1.00 72.02 H new ATOM 0 HD3 LYS A 103 17.716 -23.014 8.230 1.00 72.02 H new ATOM 0 HE2 LYS A 103 18.544 -25.145 6.806 1.00 51.12 H new ATOM 0 HE3 LYS A 103 19.769 -25.198 8.059 1.00 51.12 H new ATOM 0 HZ1 LYS A 103 17.850 -26.529 8.651 1.00 45.51 H new ATOM 0 HZ2 LYS A 103 18.013 -25.232 9.735 1.00 45.51 H new ATOM 0 HZ3 LYS A 103 16.827 -25.180 8.521 1.00 45.51 H new ATOM 1647 N ILE A 104 22.015 -22.163 3.759 1.00 61.43 N ATOM 1648 CA ILE A 104 21.940 -21.855 2.337 1.00 4.53 C ATOM 1649 C ILE A 104 22.735 -22.864 1.514 1.00 14.33 C ATOM 1650 O ILE A 104 22.413 -23.125 0.356 1.00 52.31 O ATOM 1651 CB ILE A 104 22.466 -20.439 2.039 1.00 34.22 C ATOM 1652 CG1 ILE A 104 21.675 -19.399 2.836 1.00 42.13 C ATOM 1653 CG2 ILE A 104 22.384 -20.145 0.548 1.00 32.33 C ATOM 1654 CD1 ILE A 104 22.343 -18.044 2.893 1.00 21.32 C ATOM 0 H ILE A 104 22.697 -21.607 4.276 1.00 61.43 H new ATOM 0 HA ILE A 104 20.888 -21.909 2.057 1.00 4.53 H new ATOM 0 HB ILE A 104 23.511 -20.385 2.343 1.00 34.22 H new ATOM 0 HG12 ILE A 104 20.686 -19.289 2.392 1.00 42.13 H new ATOM 0 HG13 ILE A 104 21.529 -19.766 3.852 1.00 42.13 H new ATOM 0 HG21 ILE A 104 22.760 -19.140 0.354 1.00 32.33 H new ATOM 0 HG22 ILE A 104 22.987 -20.870 0.001 1.00 32.33 H new ATOM 0 HG23 ILE A 104 21.347 -20.214 0.220 1.00 32.33 H new ATOM 0 HD11 ILE A 104 21.726 -17.358 3.474 1.00 21.32 H new ATOM 0 HD12 ILE A 104 23.321 -18.140 3.365 1.00 21.32 H new ATOM 0 HD13 ILE A 104 22.464 -17.655 1.882 1.00 21.32 H new