USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0262) USER MOD Single : A 26 HIS : no HE2:sc= -8.3! C(o=-8.3!,f=-7.4!) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= -1.4 (180deg=-2.54!) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0424) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ -119:sc=-0.00516 (180deg=-0.039) USER MOD Single : B 26 HIS : no HD1:sc= -8.11! C(o=-8.1!,f=-7.4!) USER MOD Single : B 27 LYS NZ :NH3+ -159:sc= -1.42 (180deg=-2.65!) USER MOD Single : B 28 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0509) USER MOD Single : B 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 31.851 -9.360 0.092 1.00 0.00 N ATOM 42 CA GLU A 4 32.261 -9.470 1.521 1.00 0.00 C ATOM 43 C GLU A 4 33.544 -8.673 1.777 1.00 0.00 C ATOM 44 O GLU A 4 33.881 -8.373 2.904 1.00 0.00 O ATOM 45 CB GLU A 4 32.510 -10.960 1.749 1.00 0.00 C ATOM 46 CG GLU A 4 31.684 -11.438 2.944 1.00 0.00 C ATOM 47 CD GLU A 4 31.807 -12.958 3.075 1.00 0.00 C ATOM 48 OE1 GLU A 4 31.053 -13.652 2.413 1.00 0.00 O ATOM 49 OE2 GLU A 4 32.651 -13.401 3.836 1.00 0.00 O ATOM 0 HA GLU A 4 31.502 -9.071 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 4 32.240 -11.525 0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 4 33.570 -11.139 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 4 32.032 -10.954 3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 4 30.639 -11.157 2.813 1.00 0.00 H new ATOM 56 N GLU A 5 34.268 -8.332 0.747 1.00 0.00 N ATOM 57 CA GLU A 5 35.528 -7.563 0.951 1.00 0.00 C ATOM 58 C GLU A 5 35.218 -6.094 1.237 1.00 0.00 C ATOM 59 O GLU A 5 35.704 -5.525 2.193 1.00 0.00 O ATOM 60 CB GLU A 5 36.300 -7.704 -0.360 1.00 0.00 C ATOM 61 CG GLU A 5 37.274 -8.879 -0.256 1.00 0.00 C ATOM 62 CD GLU A 5 38.636 -8.372 0.223 1.00 0.00 C ATOM 63 OE1 GLU A 5 39.426 -7.973 -0.616 1.00 0.00 O ATOM 64 OE2 GLU A 5 38.865 -8.392 1.421 1.00 0.00 O ATOM 0 H GLU A 5 34.043 -8.551 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 5 36.100 -7.934 1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 5 35.608 -7.864 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 5 36.845 -6.784 -0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 5 36.887 -9.625 0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 5 37.376 -9.367 -1.225 1.00 0.00 H new ATOM 71 N LEU A 6 34.414 -5.471 0.421 1.00 0.00 N ATOM 72 CA LEU A 6 34.085 -4.040 0.668 1.00 0.00 C ATOM 73 C LEU A 6 33.246 -3.927 1.949 1.00 0.00 C ATOM 74 O LEU A 6 33.290 -2.936 2.646 1.00 0.00 O ATOM 75 CB LEU A 6 33.332 -3.576 -0.608 1.00 0.00 C ATOM 76 CG LEU A 6 31.826 -3.368 -0.361 1.00 0.00 C ATOM 77 CD1 LEU A 6 31.604 -2.044 0.376 1.00 0.00 C ATOM 78 CD2 LEU A 6 31.088 -3.324 -1.701 1.00 0.00 C ATOM 0 H LEU A 6 33.974 -5.887 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 6 34.957 -3.407 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 6 33.770 -2.644 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 6 33.469 -4.316 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 6 31.445 -4.192 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 6 30.538 -1.899 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 6 32.128 -2.067 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 6 31.988 -1.222 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 6 30.022 -3.177 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 6 31.474 -2.500 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 6 31.242 -4.263 -2.232 1.00 0.00 H new ATOM 90 N GLU A 7 32.494 -4.948 2.257 1.00 0.00 N ATOM 91 CA GLU A 7 31.651 -4.922 3.488 1.00 0.00 C ATOM 92 C GLU A 7 32.530 -4.968 4.740 1.00 0.00 C ATOM 93 O GLU A 7 32.406 -4.147 5.635 1.00 0.00 O ATOM 94 CB GLU A 7 30.799 -6.186 3.399 1.00 0.00 C ATOM 95 CG GLU A 7 29.540 -6.019 4.251 1.00 0.00 C ATOM 96 CD GLU A 7 29.602 -6.977 5.443 1.00 0.00 C ATOM 97 OE1 GLU A 7 29.859 -8.149 5.222 1.00 0.00 O ATOM 98 OE2 GLU A 7 29.390 -6.523 6.555 1.00 0.00 O ATOM 0 H GLU A 7 32.426 -5.804 1.706 1.00 0.00 H new ATOM 0 HA GLU A 7 31.049 -4.016 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 7 30.525 -6.379 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 7 31.371 -7.047 3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.458 -4.990 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 7 28.652 -6.223 3.652 1.00 0.00 H new ATOM 105 N LYS A 8 33.414 -5.926 4.816 1.00 0.00 N ATOM 106 CA LYS A 8 34.292 -6.025 6.015 1.00 0.00 C ATOM 107 C LYS A 8 35.127 -4.760 6.150 1.00 0.00 C ATOM 108 O LYS A 8 35.228 -4.192 7.213 1.00 0.00 O ATOM 109 CB LYS A 8 35.180 -7.244 5.769 1.00 0.00 C ATOM 110 CG LYS A 8 34.346 -8.519 5.909 1.00 0.00 C ATOM 111 CD LYS A 8 35.016 -9.460 6.912 1.00 0.00 C ATOM 112 CE LYS A 8 33.964 -10.396 7.511 1.00 0.00 C ATOM 113 NZ LYS A 8 34.688 -11.154 8.570 1.00 0.00 N ATOM 0 H LYS A 8 33.565 -6.640 4.104 1.00 0.00 H new ATOM 0 HA LYS A 8 33.723 -6.130 6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 8 35.620 -7.192 4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 8 36.005 -7.256 6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 8 33.338 -8.272 6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 8 34.249 -9.011 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 8 35.796 -10.040 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 8 35.498 -8.884 7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 8 33.127 -9.836 7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 8 33.554 -11.066 6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 34.034 -11.819 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 35.475 -11.682 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 35.061 -10.490 9.278 1.00 0.00 H new ATOM 127 N LYS A 9 35.709 -4.303 5.082 1.00 0.00 N ATOM 128 CA LYS A 9 36.516 -3.055 5.161 1.00 0.00 C ATOM 129 C LYS A 9 35.598 -1.892 5.545 1.00 0.00 C ATOM 130 O LYS A 9 36.035 -0.882 6.057 1.00 0.00 O ATOM 131 CB LYS A 9 37.084 -2.856 3.756 1.00 0.00 C ATOM 132 CG LYS A 9 38.517 -3.388 3.706 1.00 0.00 C ATOM 133 CD LYS A 9 39.414 -2.519 4.590 1.00 0.00 C ATOM 134 CE LYS A 9 40.876 -2.719 4.187 1.00 0.00 C ATOM 135 NZ LYS A 9 41.640 -1.765 5.041 1.00 0.00 N ATOM 0 H LYS A 9 35.663 -4.736 4.160 1.00 0.00 H new ATOM 0 HA LYS A 9 37.311 -3.108 5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 9 36.466 -3.377 3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 9 37.068 -1.799 3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 9 38.544 -4.423 4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 9 38.883 -3.381 2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 9 39.138 -1.470 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 9 39.275 -2.783 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 9 41.196 -3.747 4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 9 41.027 -2.510 3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 42.654 -1.841 4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 41.317 -0.795 4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 41.482 -1.993 6.043 1.00 0.00 H new ATOM 149 N PHE A 10 34.323 -2.037 5.297 1.00 0.00 N ATOM 150 CA PHE A 10 33.354 -0.959 5.640 1.00 0.00 C ATOM 151 C PHE A 10 33.285 -0.750 7.155 1.00 0.00 C ATOM 152 O PHE A 10 33.647 0.293 7.669 1.00 0.00 O ATOM 153 CB PHE A 10 32.009 -1.478 5.121 1.00 0.00 C ATOM 154 CG PHE A 10 31.101 -0.328 4.774 1.00 0.00 C ATOM 155 CD1 PHE A 10 31.347 0.442 3.616 1.00 0.00 C ATOM 156 CD2 PHE A 10 29.992 -0.032 5.599 1.00 0.00 C ATOM 157 CE1 PHE A 10 30.485 1.509 3.283 1.00 0.00 C ATOM 158 CE2 PHE A 10 29.130 1.036 5.267 1.00 0.00 C ATOM 159 CZ PHE A 10 29.378 1.806 4.108 1.00 0.00 C ATOM 0 H PHE A 10 33.909 -2.865 4.867 1.00 0.00 H new ATOM 0 HA PHE A 10 33.636 -0.000 5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 10 32.168 -2.102 4.242 1.00 0.00 H new ATOM 0 HB3 PHE A 10 31.538 -2.106 5.877 1.00 0.00 H new ATOM 0 HD1 PHE A 10 32.194 0.215 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 10 29.804 -0.623 6.483 1.00 0.00 H new ATOM 0 HE1 PHE A 10 30.672 2.098 2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 10 28.283 1.264 5.897 1.00 0.00 H new ATOM 0 HZ PHE A 10 28.720 2.623 3.853 1.00 0.00 H new ATOM 169 N LYS A 11 32.814 -1.732 7.875 1.00 0.00 N ATOM 170 CA LYS A 11 32.705 -1.574 9.355 1.00 0.00 C ATOM 171 C LYS A 11 34.093 -1.474 9.991 1.00 0.00 C ATOM 172 O LYS A 11 34.278 -0.843 11.015 1.00 0.00 O ATOM 173 CB LYS A 11 31.976 -2.829 9.824 1.00 0.00 C ATOM 174 CG LYS A 11 31.864 -2.813 11.349 1.00 0.00 C ATOM 175 CD LYS A 11 30.952 -1.661 11.776 1.00 0.00 C ATOM 176 CE LYS A 11 30.063 -2.116 12.936 1.00 0.00 C ATOM 177 NZ LYS A 11 29.717 -0.863 13.665 1.00 0.00 N ATOM 0 H LYS A 11 32.502 -2.631 7.507 1.00 0.00 H new ATOM 0 HA LYS A 11 32.176 -0.664 9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.983 -2.875 9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.514 -3.719 9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.463 -3.761 11.706 1.00 0.00 H new ATOM 0 HG3 LYS A 11 32.851 -2.696 11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.551 -0.802 12.078 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.336 -1.340 10.936 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.168 -2.623 12.574 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.587 -2.819 13.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 29.108 -1.090 14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.588 -0.406 14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.214 -0.216 13.025 1.00 0.00 H new ATOM 191 N GLU A 12 35.067 -2.085 9.387 1.00 0.00 N ATOM 192 CA GLU A 12 36.446 -2.025 9.942 1.00 0.00 C ATOM 193 C GLU A 12 37.047 -0.645 9.688 1.00 0.00 C ATOM 194 O GLU A 12 37.946 -0.211 10.379 1.00 0.00 O ATOM 195 CB GLU A 12 37.225 -3.094 9.178 1.00 0.00 C ATOM 196 CG GLU A 12 37.043 -4.449 9.864 1.00 0.00 C ATOM 197 CD GLU A 12 38.386 -5.180 9.914 1.00 0.00 C ATOM 198 OE1 GLU A 12 39.281 -4.688 10.582 1.00 0.00 O ATOM 199 OE2 GLU A 12 38.497 -6.219 9.285 1.00 0.00 O ATOM 0 H GLU A 12 34.969 -2.627 8.528 1.00 0.00 H new ATOM 0 HA GLU A 12 36.470 -2.195 11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 12 36.875 -3.147 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 12 38.282 -2.832 9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 12 36.656 -4.309 10.873 1.00 0.00 H new ATOM 0 HG3 GLU A 12 36.311 -5.048 9.322 1.00 0.00 H new ATOM 206 N LEU A 13 36.556 0.050 8.699 1.00 0.00 N ATOM 207 CA LEU A 13 37.101 1.400 8.406 1.00 0.00 C ATOM 208 C LEU A 13 36.544 2.411 9.409 1.00 0.00 C ATOM 209 O LEU A 13 37.247 3.284 9.878 1.00 0.00 O ATOM 210 CB LEU A 13 36.640 1.717 6.985 1.00 0.00 C ATOM 211 CG LEU A 13 37.747 1.332 6.002 1.00 0.00 C ATOM 212 CD1 LEU A 13 37.198 1.352 4.576 1.00 0.00 C ATOM 213 CD2 LEU A 13 38.900 2.332 6.117 1.00 0.00 C ATOM 0 H LEU A 13 35.803 -0.260 8.084 1.00 0.00 H new ATOM 0 HA LEU A 13 38.187 1.442 8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 13 35.726 1.169 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 13 36.408 2.778 6.893 1.00 0.00 H new ATOM 0 HG LEU A 13 38.107 0.330 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 13 37.989 1.077 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 13 36.377 0.640 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 13 36.836 2.353 4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 13 39.690 2.059 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 13 38.538 3.333 5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 13 39.295 2.317 7.133 1.00 0.00 H new ATOM 225 N TRP A 14 35.291 2.294 9.753 1.00 0.00 N ATOM 226 CA TRP A 14 34.706 3.248 10.742 1.00 0.00 C ATOM 227 C TRP A 14 35.379 3.061 12.098 1.00 0.00 C ATOM 228 O TRP A 14 35.787 4.008 12.741 1.00 0.00 O ATOM 229 CB TRP A 14 33.229 2.877 10.839 1.00 0.00 C ATOM 230 CG TRP A 14 32.417 3.915 10.148 1.00 0.00 C ATOM 231 CD1 TRP A 14 32.115 5.145 10.635 1.00 0.00 C ATOM 232 CD2 TRP A 14 31.802 3.832 8.844 1.00 0.00 C ATOM 233 NE1 TRP A 14 31.351 5.819 9.703 1.00 0.00 N ATOM 234 CE2 TRP A 14 31.132 5.053 8.581 1.00 0.00 C ATOM 235 CE3 TRP A 14 31.761 2.817 7.864 1.00 0.00 C ATOM 236 CZ2 TRP A 14 30.443 5.258 7.380 1.00 0.00 C ATOM 237 CZ3 TRP A 14 31.074 3.015 6.656 1.00 0.00 C ATOM 238 CH2 TRP A 14 30.415 4.233 6.409 1.00 0.00 C ATOM 0 H TRP A 14 34.650 1.586 9.396 1.00 0.00 H new ATOM 0 HA TRP A 14 34.846 4.287 10.442 1.00 0.00 H new ATOM 0 HB2 TRP A 14 33.056 1.901 10.385 1.00 0.00 H new ATOM 0 HB3 TRP A 14 32.929 2.800 11.884 1.00 0.00 H new ATOM 0 HD1 TRP A 14 32.422 5.533 11.595 1.00 0.00 H new ATOM 0 HE1 TRP A 14 30.994 6.766 9.830 1.00 0.00 H new ATOM 0 HE3 TRP A 14 32.263 1.878 8.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 29.936 6.194 7.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 31.051 2.230 5.914 1.00 0.00 H new ATOM 0 HH2 TRP A 14 29.888 4.384 5.478 1.00 0.00 H new ATOM 249 N LYS A 15 35.491 1.841 12.536 1.00 0.00 N ATOM 250 CA LYS A 15 36.131 1.577 13.851 1.00 0.00 C ATOM 251 C LYS A 15 37.558 1.066 13.641 1.00 0.00 C ATOM 252 O LYS A 15 37.837 -0.111 13.761 1.00 0.00 O ATOM 253 CB LYS A 15 35.244 0.513 14.491 1.00 0.00 C ATOM 254 CG LYS A 15 35.836 0.087 15.836 1.00 0.00 C ATOM 255 CD LYS A 15 35.925 1.303 16.761 1.00 0.00 C ATOM 256 CE LYS A 15 35.165 1.014 18.056 1.00 0.00 C ATOM 257 NZ LYS A 15 33.725 1.131 17.689 1.00 0.00 N ATOM 0 H LYS A 15 35.166 1.012 12.038 1.00 0.00 H new ATOM 0 HA LYS A 15 36.214 2.465 14.478 1.00 0.00 H new ATOM 0 HB2 LYS A 15 34.237 0.904 14.634 1.00 0.00 H new ATOM 0 HB3 LYS A 15 35.160 -0.350 13.830 1.00 0.00 H new ATOM 0 HG2 LYS A 15 35.215 -0.685 16.291 1.00 0.00 H new ATOM 0 HG3 LYS A 15 36.826 -0.345 15.689 1.00 0.00 H new ATOM 0 HD2 LYS A 15 36.968 1.530 16.982 1.00 0.00 H new ATOM 0 HD3 LYS A 15 35.505 2.180 16.268 1.00 0.00 H new ATOM 0 HE2 LYS A 15 35.396 0.019 18.436 1.00 0.00 H new ATOM 0 HE3 LYS A 15 35.432 1.724 18.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 33.261 1.818 18.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 33.643 1.453 16.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 33.265 0.204 17.790 1.00 0.00 H new ATOM 271 N GLY A 16 38.461 1.951 13.316 1.00 0.00 N ATOM 272 CA GLY A 16 39.874 1.541 13.082 1.00 0.00 C ATOM 273 C GLY A 16 40.634 2.715 12.454 1.00 0.00 C ATOM 274 O GLY A 16 41.154 3.561 13.155 1.00 0.00 O ATOM 0 H GLY A 16 38.278 2.948 13.202 1.00 0.00 H new ATOM 0 HA2 GLY A 16 40.342 1.248 14.022 1.00 0.00 H new ATOM 0 HA3 GLY A 16 39.911 0.673 12.424 1.00 0.00 H new ATOM 278 N PRO A 17 40.667 2.732 11.146 1.00 0.00 N ATOM 279 CA PRO A 17 41.362 3.819 10.416 1.00 0.00 C ATOM 280 C PRO A 17 40.491 5.081 10.421 1.00 0.00 C ATOM 281 O PRO A 17 39.626 5.238 11.259 1.00 0.00 O ATOM 282 CB PRO A 17 41.512 3.258 9.003 1.00 0.00 C ATOM 283 CG PRO A 17 40.407 2.260 8.857 1.00 0.00 C ATOM 284 CD PRO A 17 40.069 1.748 10.235 1.00 0.00 C ATOM 0 HA PRO A 17 42.319 4.102 10.854 1.00 0.00 H new ATOM 0 HB2 PRO A 17 41.431 4.047 8.256 1.00 0.00 H new ATOM 0 HB3 PRO A 17 42.487 2.789 8.867 1.00 0.00 H new ATOM 0 HG2 PRO A 17 39.534 2.721 8.395 1.00 0.00 H new ATOM 0 HG3 PRO A 17 40.715 1.440 8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 17 38.991 1.677 10.379 1.00 0.00 H new ATOM 0 HD3 PRO A 17 40.479 0.752 10.401 1.00 0.00 H new ATOM 292 N ARG A 18 40.706 5.982 9.496 1.00 0.00 N ATOM 293 CA ARG A 18 39.879 7.226 9.456 1.00 0.00 C ATOM 294 C ARG A 18 38.384 6.878 9.553 1.00 0.00 C ATOM 295 O ARG A 18 38.005 5.724 9.537 1.00 0.00 O ATOM 296 CB ARG A 18 40.224 7.892 8.106 1.00 0.00 C ATOM 297 CG ARG A 18 39.416 7.274 6.950 1.00 0.00 C ATOM 298 CD ARG A 18 39.837 5.819 6.737 1.00 0.00 C ATOM 299 NE ARG A 18 41.298 5.874 6.434 1.00 0.00 N ATOM 300 CZ ARG A 18 41.723 6.496 5.366 1.00 0.00 C ATOM 301 NH1 ARG A 18 41.281 6.147 4.189 1.00 0.00 N ATOM 302 NH2 ARG A 18 42.589 7.465 5.477 1.00 0.00 N ATOM 0 H ARG A 18 41.417 5.910 8.768 1.00 0.00 H new ATOM 0 HA ARG A 18 40.087 7.894 10.291 1.00 0.00 H new ATOM 0 HB2 ARG A 18 40.020 8.961 8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 18 41.290 7.782 7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 18 38.350 7.324 7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 18 39.578 7.846 6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 18 39.642 5.219 7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 18 39.282 5.365 5.917 1.00 0.00 H new ATOM 0 HE ARG A 18 41.965 5.425 7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 18 40.604 5.389 4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 18 41.612 6.632 3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 18 42.935 7.737 6.397 1.00 0.00 H new ATOM 0 HH22 ARG A 18 42.921 7.950 4.644 1.00 0.00 H new ATOM 316 N ARG A 19 37.536 7.863 9.647 1.00 0.00 N ATOM 317 CA ARG A 19 36.077 7.571 9.740 1.00 0.00 C ATOM 318 C ARG A 19 35.274 8.566 8.895 1.00 0.00 C ATOM 319 O ARG A 19 34.314 8.206 8.243 1.00 0.00 O ATOM 320 CB ARG A 19 35.737 7.728 11.222 1.00 0.00 C ATOM 321 CG ARG A 19 34.345 7.151 11.490 1.00 0.00 C ATOM 322 CD ARG A 19 33.848 7.631 12.856 1.00 0.00 C ATOM 323 NE ARG A 19 34.899 7.197 13.819 1.00 0.00 N ATOM 324 CZ ARG A 19 34.967 7.746 15.002 1.00 0.00 C ATOM 325 NH1 ARG A 19 35.414 8.965 15.130 1.00 0.00 N ATOM 326 NH2 ARG A 19 34.588 7.076 16.055 1.00 0.00 N ATOM 0 H ARG A 19 37.786 8.852 9.664 1.00 0.00 H new ATOM 0 HA ARG A 19 35.833 6.576 9.367 1.00 0.00 H new ATOM 0 HB2 ARG A 19 36.479 7.214 11.833 1.00 0.00 H new ATOM 0 HB3 ARG A 19 35.766 8.781 11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 19 33.653 7.465 10.709 1.00 0.00 H new ATOM 0 HG3 ARG A 19 34.380 6.062 11.466 1.00 0.00 H new ATOM 0 HD2 ARG A 19 33.720 8.713 12.872 1.00 0.00 H new ATOM 0 HD3 ARG A 19 32.881 7.192 13.102 1.00 0.00 H new ATOM 0 HE ARG A 19 35.565 6.471 13.554 1.00 0.00 H new ATOM 0 HH11 ARG A 19 35.710 9.489 14.306 1.00 0.00 H new ATOM 0 HH12 ARG A 19 35.467 9.394 16.054 1.00 0.00 H new ATOM 0 HH21 ARG A 19 34.238 6.123 15.955 1.00 0.00 H new ATOM 0 HH22 ARG A 19 34.641 7.505 16.979 1.00 0.00 H new ATOM 340 N GLY A 20 35.655 9.814 8.906 1.00 0.00 N ATOM 341 CA GLY A 20 34.907 10.828 8.108 1.00 0.00 C ATOM 342 C GLY A 20 35.045 10.517 6.615 1.00 0.00 C ATOM 343 O GLY A 20 34.114 10.677 5.851 1.00 0.00 O ATOM 0 H GLY A 20 36.451 10.176 9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 20 33.855 10.825 8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 20 35.292 11.826 8.318 1.00 0.00 H new ATOM 347 N GLU A 21 36.199 10.078 6.193 1.00 0.00 N ATOM 348 CA GLU A 21 36.392 9.762 4.747 1.00 0.00 C ATOM 349 C GLU A 21 35.565 8.534 4.355 1.00 0.00 C ATOM 350 O GLU A 21 35.141 8.394 3.225 1.00 0.00 O ATOM 351 CB GLU A 21 37.886 9.475 4.602 1.00 0.00 C ATOM 352 CG GLU A 21 38.598 10.728 4.087 1.00 0.00 C ATOM 353 CD GLU A 21 39.822 10.318 3.266 1.00 0.00 C ATOM 354 OE1 GLU A 21 40.878 10.156 3.854 1.00 0.00 O ATOM 355 OE2 GLU A 21 39.682 10.173 2.062 1.00 0.00 O ATOM 0 H GLU A 21 37.016 9.924 6.784 1.00 0.00 H new ATOM 0 HA GLU A 21 36.069 10.577 4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 21 38.305 9.175 5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 21 38.043 8.645 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 21 37.918 11.320 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 21 38.902 11.356 4.924 1.00 0.00 H new ATOM 362 N ILE A 22 35.330 7.645 5.281 1.00 0.00 N ATOM 363 CA ILE A 22 34.527 6.428 4.961 1.00 0.00 C ATOM 364 C ILE A 22 33.055 6.802 4.804 1.00 0.00 C ATOM 365 O ILE A 22 32.450 6.575 3.775 1.00 0.00 O ATOM 366 CB ILE A 22 34.718 5.504 6.161 1.00 0.00 C ATOM 367 CG1 ILE A 22 36.209 5.239 6.364 1.00 0.00 C ATOM 368 CG2 ILE A 22 33.985 4.183 5.910 1.00 0.00 C ATOM 369 CD1 ILE A 22 36.769 4.499 5.146 1.00 0.00 C ATOM 0 H ILE A 22 35.658 7.708 6.245 1.00 0.00 H new ATOM 0 HA ILE A 22 34.839 5.956 4.030 1.00 0.00 H new ATOM 0 HB ILE A 22 34.311 5.975 7.055 1.00 0.00 H new ATOM 0 HG12 ILE A 22 36.740 6.180 6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 22 36.364 4.646 7.265 1.00 0.00 H new ATOM 0 HG21 ILE A 22 34.121 3.523 6.767 1.00 0.00 H new ATOM 0 HG22 ILE A 22 32.922 4.378 5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 22 34.389 3.707 5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 22 37.833 4.311 5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 22 36.246 3.551 5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.628 5.108 4.253 1.00 0.00 H new ATOM 381 N GLU A 23 32.476 7.377 5.819 1.00 0.00 N ATOM 382 CA GLU A 23 31.049 7.772 5.730 1.00 0.00 C ATOM 383 C GLU A 23 30.858 8.722 4.549 1.00 0.00 C ATOM 384 O GLU A 23 29.797 8.791 3.957 1.00 0.00 O ATOM 385 CB GLU A 23 30.760 8.443 7.074 1.00 0.00 C ATOM 386 CG GLU A 23 29.310 8.905 7.127 1.00 0.00 C ATOM 387 CD GLU A 23 29.261 10.433 7.159 1.00 0.00 C ATOM 388 OE1 GLU A 23 30.146 11.046 6.585 1.00 0.00 O ATOM 389 OE2 GLU A 23 28.340 10.964 7.757 1.00 0.00 O ATOM 0 H GLU A 23 32.932 7.590 6.706 1.00 0.00 H new ATOM 0 HA GLU A 23 30.369 6.938 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 23 30.957 7.745 7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 23 31.426 9.294 7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 23 28.767 8.531 6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 23 28.819 8.496 8.010 1.00 0.00 H new ATOM 396 N GLU A 24 31.890 9.425 4.170 1.00 0.00 N ATOM 397 CA GLU A 24 31.769 10.329 2.997 1.00 0.00 C ATOM 398 C GLU A 24 31.630 9.465 1.745 1.00 0.00 C ATOM 399 O GLU A 24 30.846 9.745 0.856 1.00 0.00 O ATOM 400 CB GLU A 24 33.071 11.132 2.967 1.00 0.00 C ATOM 401 CG GLU A 24 33.130 11.966 1.685 1.00 0.00 C ATOM 402 CD GLU A 24 34.408 12.807 1.682 1.00 0.00 C ATOM 403 OE1 GLU A 24 35.444 12.273 1.323 1.00 0.00 O ATOM 404 OE2 GLU A 24 34.328 13.971 2.038 1.00 0.00 O ATOM 0 H GLU A 24 32.805 9.411 4.620 1.00 0.00 H new ATOM 0 HA GLU A 24 30.907 10.994 3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.129 11.783 3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 24 33.927 10.459 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 24 33.110 11.313 0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 24 32.256 12.614 1.619 1.00 0.00 H new ATOM 411 N LEU A 25 32.378 8.397 1.687 1.00 0.00 N ATOM 412 CA LEU A 25 32.290 7.484 0.516 1.00 0.00 C ATOM 413 C LEU A 25 30.904 6.842 0.476 1.00 0.00 C ATOM 414 O LEU A 25 30.435 6.432 -0.562 1.00 0.00 O ATOM 415 CB LEU A 25 33.363 6.415 0.742 1.00 0.00 C ATOM 416 CG LEU A 25 34.265 6.300 -0.497 1.00 0.00 C ATOM 417 CD1 LEU A 25 35.174 5.078 -0.343 1.00 0.00 C ATOM 418 CD2 LEU A 25 33.411 6.141 -1.762 1.00 0.00 C ATOM 0 H LEU A 25 33.048 8.118 2.404 1.00 0.00 H new ATOM 0 HA LEU A 25 32.443 8.008 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 25 33.963 6.670 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 25 32.892 5.454 0.949 1.00 0.00 H new ATOM 0 HG LEU A 25 34.866 7.205 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 25 35.817 4.990 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 25 35.790 5.193 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 25 34.563 4.180 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 25 34.062 6.061 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 25 32.803 5.240 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 25 32.761 7.009 -1.874 1.00 0.00 H new ATOM 430 N HIS A 26 30.241 6.757 1.600 1.00 0.00 N ATOM 431 CA HIS A 26 28.879 6.150 1.609 1.00 0.00 C ATOM 432 C HIS A 26 27.901 7.105 0.922 1.00 0.00 C ATOM 433 O HIS A 26 27.128 6.711 0.072 1.00 0.00 O ATOM 434 CB HIS A 26 28.518 5.962 3.084 1.00 0.00 C ATOM 435 CG HIS A 26 27.092 5.489 3.192 1.00 0.00 C ATOM 436 ND1 HIS A 26 26.721 4.176 2.943 1.00 0.00 N ATOM 437 CD2 HIS A 26 25.936 6.150 3.510 1.00 0.00 C ATOM 438 CE1 HIS A 26 25.387 4.093 3.115 1.00 0.00 C ATOM 439 NE2 HIS A 26 24.860 5.269 3.462 1.00 0.00 N ATOM 0 H HIS A 26 30.582 7.080 2.506 1.00 0.00 H new ATOM 0 HA HIS A 26 28.839 5.200 1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 26 29.189 5.237 3.545 1.00 0.00 H new ATOM 0 HB3 HIS A 26 28.644 6.901 3.623 1.00 0.00 H new ATOM 0 HD1 HIS A 26 27.344 3.413 2.678 1.00 0.00 H new ATOM 0 HD2 HIS A 26 25.869 7.198 3.761 1.00 0.00 H new ATOM 0 HE1 HIS A 26 24.815 3.186 2.988 1.00 0.00 H new ATOM 447 N LYS A 27 27.939 8.363 1.269 1.00 0.00 N ATOM 448 CA LYS A 27 27.020 9.336 0.611 1.00 0.00 C ATOM 449 C LYS A 27 27.213 9.261 -0.905 1.00 0.00 C ATOM 450 O LYS A 27 26.265 9.242 -1.668 1.00 0.00 O ATOM 451 CB LYS A 27 27.438 10.706 1.145 1.00 0.00 C ATOM 452 CG LYS A 27 26.278 11.326 1.925 1.00 0.00 C ATOM 453 CD LYS A 27 26.558 11.222 3.426 1.00 0.00 C ATOM 454 CE LYS A 27 27.329 12.461 3.887 1.00 0.00 C ATOM 455 NZ LYS A 27 28.756 12.157 3.585 1.00 0.00 N ATOM 0 H LYS A 27 28.562 8.757 1.974 1.00 0.00 H new ATOM 0 HA LYS A 27 25.969 9.134 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.311 10.606 1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.725 11.358 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 27 26.151 12.370 1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 27 25.347 10.814 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 27 25.621 11.137 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 27 27.135 10.322 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.995 13.354 3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.181 12.646 4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.366 12.617 4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 28.906 11.128 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 28.994 12.513 2.637 1.00 0.00 H new ATOM 469 N LYS A 28 28.439 9.195 -1.348 1.00 0.00 N ATOM 470 CA LYS A 28 28.688 9.096 -2.812 1.00 0.00 C ATOM 471 C LYS A 28 28.044 7.813 -3.343 1.00 0.00 C ATOM 472 O LYS A 28 27.364 7.819 -4.348 1.00 0.00 O ATOM 473 CB LYS A 28 30.209 9.038 -2.957 1.00 0.00 C ATOM 474 CG LYS A 28 30.743 10.428 -3.309 1.00 0.00 C ATOM 475 CD LYS A 28 31.323 11.085 -2.055 1.00 0.00 C ATOM 476 CE LYS A 28 32.329 12.163 -2.463 1.00 0.00 C ATOM 477 NZ LYS A 28 32.065 13.301 -1.538 1.00 0.00 N ATOM 0 H LYS A 28 29.274 9.205 -0.762 1.00 0.00 H new ATOM 0 HA LYS A 28 28.268 9.932 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 28 30.660 8.688 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 28 30.484 8.324 -3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 28 31.510 10.350 -4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 28 29.942 11.044 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 28 30.523 11.525 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 28 31.810 10.336 -1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 28 33.354 11.804 -2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 28 32.192 12.459 -3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 32.836 13.995 -1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 31.165 13.755 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 32.010 12.949 -0.561 1.00 0.00 H new ATOM 491 N PHE A 29 28.244 6.717 -2.657 1.00 0.00 N ATOM 492 CA PHE A 29 27.641 5.424 -3.096 1.00 0.00 C ATOM 493 C PHE A 29 26.141 5.602 -3.321 1.00 0.00 C ATOM 494 O PHE A 29 25.563 5.002 -4.206 1.00 0.00 O ATOM 495 CB PHE A 29 27.908 4.447 -1.946 1.00 0.00 C ATOM 496 CG PHE A 29 29.394 4.134 -1.821 1.00 0.00 C ATOM 497 CD1 PHE A 29 30.286 4.338 -2.910 1.00 0.00 C ATOM 498 CD2 PHE A 29 29.891 3.622 -0.601 1.00 0.00 C ATOM 499 CE1 PHE A 29 31.657 4.030 -2.770 1.00 0.00 C ATOM 500 CE2 PHE A 29 31.264 3.317 -0.464 1.00 0.00 C ATOM 501 CZ PHE A 29 32.145 3.521 -1.548 1.00 0.00 C ATOM 0 H PHE A 29 28.803 6.663 -1.806 1.00 0.00 H new ATOM 0 HA PHE A 29 28.063 5.063 -4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 29 27.544 4.874 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 29 27.352 3.524 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 29 29.914 4.729 -3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 29 29.219 3.463 0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 29 32.332 4.184 -3.599 1.00 0.00 H new ATOM 0 HE2 PHE A 29 31.640 2.928 0.471 1.00 0.00 H new ATOM 0 HZ PHE A 29 33.194 3.287 -1.442 1.00 0.00 H new ATOM 511 N HIS A 30 25.506 6.435 -2.543 1.00 0.00 N ATOM 512 CA HIS A 30 24.050 6.658 -2.745 1.00 0.00 C ATOM 513 C HIS A 30 23.853 7.327 -4.101 1.00 0.00 C ATOM 514 O HIS A 30 23.018 6.931 -4.887 1.00 0.00 O ATOM 515 CB HIS A 30 23.617 7.578 -1.601 1.00 0.00 C ATOM 516 CG HIS A 30 22.189 8.004 -1.806 1.00 0.00 C ATOM 517 ND1 HIS A 30 21.816 9.338 -1.854 1.00 0.00 N ATOM 518 CD2 HIS A 30 21.033 7.285 -1.980 1.00 0.00 C ATOM 519 CE1 HIS A 30 20.485 9.380 -2.048 1.00 0.00 C ATOM 520 NE2 HIS A 30 19.958 8.155 -2.132 1.00 0.00 N ATOM 0 H HIS A 30 25.930 6.966 -1.782 1.00 0.00 H new ATOM 0 HA HIS A 30 23.464 5.739 -2.739 1.00 0.00 H new ATOM 0 HB2 HIS A 30 23.719 7.061 -0.647 1.00 0.00 H new ATOM 0 HB3 HIS A 30 24.265 8.453 -1.560 1.00 0.00 H new ATOM 0 HD2 HIS A 30 20.968 6.207 -1.996 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.913 10.292 -2.126 1.00 0.00 H new ATOM 0 HE2 HIS A 30 18.978 7.910 -2.276 1.00 0.00 H new ATOM 528 N GLU A 31 24.649 8.317 -4.397 1.00 0.00 N ATOM 529 CA GLU A 31 24.539 8.982 -5.725 1.00 0.00 C ATOM 530 C GLU A 31 25.338 8.177 -6.765 1.00 0.00 C ATOM 531 O GLU A 31 25.449 8.560 -7.912 1.00 0.00 O ATOM 532 CB GLU A 31 25.151 10.370 -5.528 1.00 0.00 C ATOM 533 CG GLU A 31 24.402 11.103 -4.413 1.00 0.00 C ATOM 534 CD GLU A 31 24.951 12.525 -4.280 1.00 0.00 C ATOM 535 OE1 GLU A 31 26.044 12.671 -3.757 1.00 0.00 O ATOM 536 OE2 GLU A 31 24.270 13.444 -4.703 1.00 0.00 O ATOM 0 H GLU A 31 25.368 8.693 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 31 23.511 9.046 -6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 31 26.207 10.281 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 31 25.093 10.940 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 31 23.335 11.133 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 31 24.516 10.568 -3.470 1.00 0.00 H new ATOM 543 N LEU A 32 25.894 7.059 -6.360 1.00 0.00 N ATOM 544 CA LEU A 32 26.688 6.212 -7.295 1.00 0.00 C ATOM 545 C LEU A 32 25.798 5.123 -7.894 1.00 0.00 C ATOM 546 O LEU A 32 26.018 4.665 -8.997 1.00 0.00 O ATOM 547 CB LEU A 32 27.758 5.574 -6.399 1.00 0.00 C ATOM 548 CG LEU A 32 28.954 5.088 -7.226 1.00 0.00 C ATOM 549 CD1 LEU A 32 29.990 4.482 -6.279 1.00 0.00 C ATOM 550 CD2 LEU A 32 28.512 4.016 -8.224 1.00 0.00 C ATOM 0 H LEU A 32 25.828 6.697 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 32 27.111 6.779 -8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 32 28.095 6.299 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 32 27.326 4.736 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 32 29.377 5.931 -7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 32 30.847 4.132 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 32 30.316 5.238 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 32 29.546 3.644 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 32 29.372 3.681 -8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 32 28.087 3.170 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 32 27.762 4.432 -8.896 1.00 0.00 H new ATOM 562 N ILE A 33 24.808 4.679 -7.162 1.00 0.00 N ATOM 563 CA ILE A 33 23.935 3.589 -7.691 1.00 0.00 C ATOM 564 C ILE A 33 22.466 4.034 -7.745 1.00 0.00 C ATOM 565 O ILE A 33 21.638 3.390 -8.358 1.00 0.00 O ATOM 566 CB ILE A 33 24.125 2.418 -6.712 1.00 0.00 C ATOM 567 CG1 ILE A 33 23.479 2.753 -5.363 1.00 0.00 C ATOM 568 CG2 ILE A 33 25.624 2.150 -6.508 1.00 0.00 C ATOM 569 CD1 ILE A 33 23.592 1.552 -4.426 1.00 0.00 C ATOM 0 H ILE A 33 24.568 5.020 -6.231 1.00 0.00 H new ATOM 0 HA ILE A 33 24.200 3.313 -8.712 1.00 0.00 H new ATOM 0 HB ILE A 33 23.650 1.529 -7.127 1.00 0.00 H new ATOM 0 HG12 ILE A 33 23.969 3.620 -4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 33 22.431 3.018 -5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 33 25.754 1.320 -5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 33 26.082 1.898 -7.465 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.101 3.042 -6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 33 23.132 1.793 -3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 33 23.082 0.696 -4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 33 24.643 1.308 -4.272 1.00 0.00 H new ATOM 652 N GLU B 4 40.105 3.181 -0.185 1.00 0.00 N ATOM 653 CA GLU B 4 40.158 2.985 -1.662 1.00 0.00 C ATOM 654 C GLU B 4 39.883 1.522 -2.024 1.00 0.00 C ATOM 655 O GLU B 4 39.580 1.203 -3.155 1.00 0.00 O ATOM 656 CB GLU B 4 41.582 3.371 -2.061 1.00 0.00 C ATOM 657 CG GLU B 4 41.533 4.429 -3.164 1.00 0.00 C ATOM 658 CD GLU B 4 42.948 4.935 -3.453 1.00 0.00 C ATOM 659 OE1 GLU B 4 43.388 5.834 -2.756 1.00 0.00 O ATOM 660 OE2 GLU B 4 43.568 4.414 -4.366 1.00 0.00 O ATOM 0 HA GLU B 4 39.407 3.583 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU B 4 42.122 3.757 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU B 4 42.125 2.492 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU B 4 41.095 4.006 -4.068 1.00 0.00 H new ATOM 0 HG3 GLU B 4 40.895 5.258 -2.859 1.00 0.00 H new ATOM 667 N GLU B 5 39.993 0.628 -1.080 1.00 0.00 N ATOM 668 CA GLU B 5 39.743 -0.808 -1.391 1.00 0.00 C ATOM 669 C GLU B 5 38.243 -1.082 -1.490 1.00 0.00 C ATOM 670 O GLU B 5 37.774 -1.663 -2.448 1.00 0.00 O ATOM 671 CB GLU B 5 40.355 -1.582 -0.224 1.00 0.00 C ATOM 672 CG GLU B 5 41.785 -1.993 -0.579 1.00 0.00 C ATOM 673 CD GLU B 5 41.775 -3.392 -1.198 1.00 0.00 C ATOM 674 OE1 GLU B 5 41.831 -4.351 -0.447 1.00 0.00 O ATOM 675 OE2 GLU B 5 41.711 -3.480 -2.413 1.00 0.00 O ATOM 0 H GLU B 5 40.244 0.828 -0.112 1.00 0.00 H new ATOM 0 HA GLU B 5 40.178 -1.100 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU B 5 40.355 -0.966 0.675 1.00 0.00 H new ATOM 0 HB3 GLU B 5 39.755 -2.465 -0.005 1.00 0.00 H new ATOM 0 HG2 GLU B 5 42.217 -1.277 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU B 5 42.410 -1.983 0.314 1.00 0.00 H new ATOM 682 N LEU B 6 37.481 -0.672 -0.514 1.00 0.00 N ATOM 683 CA LEU B 6 36.014 -0.918 -0.576 1.00 0.00 C ATOM 684 C LEU B 6 35.409 -0.074 -1.708 1.00 0.00 C ATOM 685 O LEU B 6 34.422 -0.441 -2.310 1.00 0.00 O ATOM 686 CB LEU B 6 35.483 -0.536 0.832 1.00 0.00 C ATOM 687 CG LEU B 6 34.684 0.781 0.824 1.00 0.00 C ATOM 688 CD1 LEU B 6 33.287 0.529 0.253 1.00 0.00 C ATOM 689 CD2 LEU B 6 34.552 1.310 2.255 1.00 0.00 C ATOM 0 H LEU B 6 37.808 -0.181 0.318 1.00 0.00 H new ATOM 0 HA LEU B 6 35.746 -1.950 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU B 6 34.849 -1.339 1.208 1.00 0.00 H new ATOM 0 HB3 LEU B 6 36.323 -0.444 1.521 1.00 0.00 H new ATOM 0 HG LEU B 6 35.206 1.514 0.208 1.00 0.00 H new ATOM 0 HD11 LEU B 6 32.722 1.461 0.248 1.00 0.00 H new ATOM 0 HD12 LEU B 6 33.373 0.151 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU B 6 32.769 -0.205 0.870 1.00 0.00 H new ATOM 0 HD21 LEU B 6 33.987 2.242 2.248 1.00 0.00 H new ATOM 0 HD22 LEU B 6 34.032 0.574 2.868 1.00 0.00 H new ATOM 0 HD23 LEU B 6 35.544 1.491 2.669 1.00 0.00 H new ATOM 701 N GLU B 7 36.010 1.048 -1.998 1.00 0.00 N ATOM 702 CA GLU B 7 35.492 1.925 -3.088 1.00 0.00 C ATOM 703 C GLU B 7 35.692 1.260 -4.451 1.00 0.00 C ATOM 704 O GLU B 7 34.767 1.132 -5.238 1.00 0.00 O ATOM 705 CB GLU B 7 36.337 3.196 -2.995 1.00 0.00 C ATOM 706 CG GLU B 7 35.581 4.362 -3.633 1.00 0.00 C ATOM 707 CD GLU B 7 36.306 4.801 -4.907 1.00 0.00 C ATOM 708 OE1 GLU B 7 37.506 5.011 -4.839 1.00 0.00 O ATOM 709 OE2 GLU B 7 35.650 4.921 -5.928 1.00 0.00 O ATOM 0 H GLU B 7 36.843 1.397 -1.524 1.00 0.00 H new ATOM 0 HA GLU B 7 34.425 2.123 -2.985 1.00 0.00 H new ATOM 0 HB2 GLU B 7 36.560 3.421 -1.952 1.00 0.00 H new ATOM 0 HB3 GLU B 7 37.291 3.048 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU B 7 34.559 4.063 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU B 7 35.516 5.195 -2.933 1.00 0.00 H new ATOM 716 N LYS B 8 36.894 0.842 -4.743 1.00 0.00 N ATOM 717 CA LYS B 8 37.150 0.194 -6.059 1.00 0.00 C ATOM 718 C LYS B 8 36.296 -1.058 -6.195 1.00 0.00 C ATOM 719 O LYS B 8 35.668 -1.278 -7.206 1.00 0.00 O ATOM 720 CB LYS B 8 38.638 -0.158 -6.057 1.00 0.00 C ATOM 721 CG LYS B 8 39.466 1.121 -6.192 1.00 0.00 C ATOM 722 CD LYS B 8 40.437 0.981 -7.366 1.00 0.00 C ATOM 723 CE LYS B 8 40.802 2.370 -7.893 1.00 0.00 C ATOM 724 NZ LYS B 8 41.620 2.114 -9.112 1.00 0.00 N ATOM 0 H LYS B 8 37.705 0.921 -4.130 1.00 0.00 H new ATOM 0 HA LYS B 8 36.897 0.844 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS B 8 38.898 -0.677 -5.134 1.00 0.00 H new ATOM 0 HB3 LYS B 8 38.863 -0.838 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS B 8 38.809 1.977 -6.350 1.00 0.00 H new ATOM 0 HG3 LYS B 8 40.018 1.308 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS B 8 41.336 0.453 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS B 8 39.983 0.387 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS B 8 39.910 2.950 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS B 8 41.364 2.939 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 41.910 3.020 -9.532 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 42.465 1.566 -8.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 41.057 1.577 -9.802 1.00 0.00 H new ATOM 738 N LYS B 9 36.250 -1.871 -5.181 1.00 0.00 N ATOM 739 CA LYS B 9 35.409 -3.096 -5.259 1.00 0.00 C ATOM 740 C LYS B 9 33.941 -2.685 -5.398 1.00 0.00 C ATOM 741 O LYS B 9 33.115 -3.436 -5.872 1.00 0.00 O ATOM 742 CB LYS B 9 35.644 -3.828 -3.938 1.00 0.00 C ATOM 743 CG LYS B 9 36.683 -4.931 -4.144 1.00 0.00 C ATOM 744 CD LYS B 9 36.106 -6.009 -5.064 1.00 0.00 C ATOM 745 CE LYS B 9 36.905 -7.303 -4.896 1.00 0.00 C ATOM 746 NZ LYS B 9 36.205 -8.297 -5.758 1.00 0.00 N ATOM 0 H LYS B 9 36.755 -1.743 -4.304 1.00 0.00 H new ATOM 0 HA LYS B 9 35.657 -3.729 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS B 9 35.988 -3.127 -3.178 1.00 0.00 H new ATOM 0 HB3 LYS B 9 34.709 -4.257 -3.576 1.00 0.00 H new ATOM 0 HG2 LYS B 9 37.591 -4.514 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS B 9 36.961 -5.367 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS B 9 35.057 -6.183 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS B 9 36.146 -5.676 -6.101 1.00 0.00 H new ATOM 0 HE2 LYS B 9 37.942 -7.171 -5.206 1.00 0.00 H new ATOM 0 HE3 LYS B 9 36.922 -7.625 -3.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 36.693 -9.213 -5.698 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 35.223 -8.406 -5.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 36.210 -7.966 -6.744 1.00 0.00 H new ATOM 760 N PHE B 10 33.620 -1.487 -4.984 1.00 0.00 N ATOM 761 CA PHE B 10 32.216 -0.999 -5.082 1.00 0.00 C ATOM 762 C PHE B 10 31.785 -0.873 -6.545 1.00 0.00 C ATOM 763 O PHE B 10 30.897 -1.566 -7.007 1.00 0.00 O ATOM 764 CB PHE B 10 32.250 0.386 -4.427 1.00 0.00 C ATOM 765 CG PHE B 10 30.901 0.723 -3.846 1.00 0.00 C ATOM 766 CD1 PHE B 10 30.459 0.082 -2.669 1.00 0.00 C ATOM 767 CD2 PHE B 10 30.088 1.695 -4.472 1.00 0.00 C ATOM 768 CE1 PHE B 10 29.203 0.412 -2.116 1.00 0.00 C ATOM 769 CE2 PHE B 10 28.831 2.025 -3.921 1.00 0.00 C ATOM 770 CZ PHE B 10 28.390 1.382 -2.742 1.00 0.00 C ATOM 0 H PHE B 10 34.278 -0.821 -4.579 1.00 0.00 H new ATOM 0 HA PHE B 10 31.511 -1.679 -4.604 1.00 0.00 H new ATOM 0 HB2 PHE B 10 33.007 0.406 -3.643 1.00 0.00 H new ATOM 0 HB3 PHE B 10 32.534 1.137 -5.164 1.00 0.00 H new ATOM 0 HD1 PHE B 10 31.081 -0.661 -2.192 1.00 0.00 H new ATOM 0 HD2 PHE B 10 30.429 2.185 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE B 10 28.864 -0.077 -1.215 1.00 0.00 H new ATOM 0 HE2 PHE B 10 28.208 2.767 -4.399 1.00 0.00 H new ATOM 0 HZ PHE B 10 27.429 1.633 -2.319 1.00 0.00 H new ATOM 780 N LYS B 11 32.400 0.015 -7.278 1.00 0.00 N ATOM 781 CA LYS B 11 32.004 0.194 -8.705 1.00 0.00 C ATOM 782 C LYS B 11 32.353 -1.051 -9.522 1.00 0.00 C ATOM 783 O LYS B 11 31.701 -1.373 -10.498 1.00 0.00 O ATOM 784 CB LYS B 11 32.804 1.403 -9.179 1.00 0.00 C ATOM 785 CG LYS B 11 32.528 1.645 -10.663 1.00 0.00 C ATOM 786 CD LYS B 11 31.067 2.063 -10.843 1.00 0.00 C ATOM 787 CE LYS B 11 30.978 3.165 -11.900 1.00 0.00 C ATOM 788 NZ LYS B 11 29.599 3.052 -12.453 1.00 0.00 N ATOM 0 H LYS B 11 33.154 0.621 -6.954 1.00 0.00 H new ATOM 0 HA LYS B 11 30.931 0.343 -8.823 1.00 0.00 H new ATOM 0 HB2 LYS B 11 32.530 2.284 -8.599 1.00 0.00 H new ATOM 0 HB3 LYS B 11 33.869 1.234 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS B 11 33.190 2.421 -11.046 1.00 0.00 H new ATOM 0 HG3 LYS B 11 32.733 0.740 -11.235 1.00 0.00 H new ATOM 0 HD2 LYS B 11 30.467 1.205 -11.146 1.00 0.00 H new ATOM 0 HD3 LYS B 11 30.660 2.419 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS B 11 31.149 4.148 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS B 11 31.729 3.028 -12.678 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 29.459 3.776 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 29.468 2.108 -12.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 28.906 3.193 -11.690 1.00 0.00 H new ATOM 802 N GLU B 12 33.368 -1.757 -9.124 1.00 0.00 N ATOM 803 CA GLU B 12 33.761 -2.986 -9.864 1.00 0.00 C ATOM 804 C GLU B 12 32.767 -4.106 -9.571 1.00 0.00 C ATOM 805 O GLU B 12 32.614 -5.033 -10.341 1.00 0.00 O ATOM 806 CB GLU B 12 35.144 -3.347 -9.325 1.00 0.00 C ATOM 807 CG GLU B 12 36.213 -2.575 -10.101 1.00 0.00 C ATOM 808 CD GLU B 12 37.387 -3.504 -10.412 1.00 0.00 C ATOM 809 OE1 GLU B 12 37.187 -4.452 -11.153 1.00 0.00 O ATOM 810 OE2 GLU B 12 38.467 -3.252 -9.903 1.00 0.00 O ATOM 0 H GLU B 12 33.947 -1.536 -8.314 1.00 0.00 H new ATOM 0 HA GLU B 12 33.772 -2.837 -10.944 1.00 0.00 H new ATOM 0 HB2 GLU B 12 35.206 -3.107 -8.264 1.00 0.00 H new ATOM 0 HB3 GLU B 12 35.314 -4.419 -9.420 1.00 0.00 H new ATOM 0 HG2 GLU B 12 35.792 -2.181 -11.026 1.00 0.00 H new ATOM 0 HG3 GLU B 12 36.556 -1.721 -9.517 1.00 0.00 H new ATOM 817 N LEU B 13 32.087 -4.028 -8.460 1.00 0.00 N ATOM 818 CA LEU B 13 31.104 -5.090 -8.124 1.00 0.00 C ATOM 819 C LEU B 13 29.825 -4.887 -8.937 1.00 0.00 C ATOM 820 O LEU B 13 29.230 -5.830 -9.419 1.00 0.00 O ATOM 821 CB LEU B 13 30.840 -4.931 -6.627 1.00 0.00 C ATOM 822 CG LEU B 13 31.753 -5.885 -5.854 1.00 0.00 C ATOM 823 CD1 LEU B 13 31.727 -5.529 -4.368 1.00 0.00 C ATOM 824 CD2 LEU B 13 31.264 -7.322 -6.040 1.00 0.00 C ATOM 0 H LEU B 13 32.171 -3.277 -7.775 1.00 0.00 H new ATOM 0 HA LEU B 13 31.469 -6.090 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU B 13 31.025 -3.902 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU B 13 29.795 -5.147 -6.404 1.00 0.00 H new ATOM 0 HG LEU B 13 32.772 -5.794 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU B 13 32.378 -6.210 -3.819 1.00 0.00 H new ATOM 0 HD12 LEU B 13 32.076 -4.505 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU B 13 30.708 -5.618 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU B 13 31.914 -8.002 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU B 13 30.245 -7.411 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU B 13 31.284 -7.579 -7.099 1.00 0.00 H new ATOM 836 N TRP B 14 29.404 -3.663 -9.107 1.00 0.00 N ATOM 837 CA TRP B 14 28.169 -3.413 -9.909 1.00 0.00 C ATOM 838 C TRP B 14 28.404 -3.823 -11.359 1.00 0.00 C ATOM 839 O TRP B 14 27.605 -4.511 -11.963 1.00 0.00 O ATOM 840 CB TRP B 14 27.928 -1.908 -9.828 1.00 0.00 C ATOM 841 CG TRP B 14 26.768 -1.646 -8.933 1.00 0.00 C ATOM 842 CD1 TRP B 14 25.461 -1.814 -9.256 1.00 0.00 C ATOM 843 CD2 TRP B 14 26.794 -1.180 -7.567 1.00 0.00 C ATOM 844 NE1 TRP B 14 24.685 -1.475 -8.164 1.00 0.00 N ATOM 845 CE2 TRP B 14 25.460 -1.079 -7.097 1.00 0.00 C ATOM 846 CE3 TRP B 14 27.843 -0.834 -6.690 1.00 0.00 C ATOM 847 CZ2 TRP B 14 25.180 -0.649 -5.796 1.00 0.00 C ATOM 848 CZ3 TRP B 14 27.571 -0.403 -5.381 1.00 0.00 C ATOM 849 CH2 TRP B 14 26.242 -0.311 -4.930 1.00 0.00 C ATOM 0 H TRP B 14 29.856 -2.831 -8.729 1.00 0.00 H new ATOM 0 HA TRP B 14 27.317 -3.982 -9.536 1.00 0.00 H new ATOM 0 HB2 TRP B 14 28.817 -1.405 -9.448 1.00 0.00 H new ATOM 0 HB3 TRP B 14 27.734 -1.505 -10.822 1.00 0.00 H new ATOM 0 HD1 TRP B 14 25.088 -2.156 -10.210 1.00 0.00 H new ATOM 0 HE1 TRP B 14 23.666 -1.513 -8.150 1.00 0.00 H new ATOM 0 HE3 TRP B 14 28.866 -0.901 -7.028 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 24.157 -0.576 -5.456 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 28.384 -0.142 -4.720 1.00 0.00 H new ATOM 0 HH2 TRP B 14 26.034 0.018 -3.922 1.00 0.00 H new ATOM 860 N LYS B 15 29.498 -3.399 -11.921 1.00 0.00 N ATOM 861 CA LYS B 15 29.796 -3.753 -13.333 1.00 0.00 C ATOM 862 C LYS B 15 30.838 -4.874 -13.379 1.00 0.00 C ATOM 863 O LYS B 15 32.002 -4.649 -13.646 1.00 0.00 O ATOM 864 CB LYS B 15 30.336 -2.460 -13.938 1.00 0.00 C ATOM 865 CG LYS B 15 30.759 -2.705 -15.388 1.00 0.00 C ATOM 866 CD LYS B 15 29.551 -3.176 -16.200 1.00 0.00 C ATOM 867 CE LYS B 15 29.343 -2.241 -17.394 1.00 0.00 C ATOM 868 NZ LYS B 15 28.738 -1.009 -16.813 1.00 0.00 N ATOM 0 H LYS B 15 30.201 -2.820 -11.461 1.00 0.00 H new ATOM 0 HA LYS B 15 28.927 -4.121 -13.879 1.00 0.00 H new ATOM 0 HB2 LYS B 15 29.573 -1.682 -13.898 1.00 0.00 H new ATOM 0 HB3 LYS B 15 31.186 -2.103 -13.357 1.00 0.00 H new ATOM 0 HG2 LYS B 15 31.166 -1.790 -15.819 1.00 0.00 H new ATOM 0 HG3 LYS B 15 31.550 -3.454 -15.426 1.00 0.00 H new ATOM 0 HD2 LYS B 15 29.708 -4.197 -16.547 1.00 0.00 H new ATOM 0 HD3 LYS B 15 28.659 -3.186 -15.573 1.00 0.00 H new ATOM 0 HE2 LYS B 15 30.287 -2.021 -17.893 1.00 0.00 H new ATOM 0 HE3 LYS B 15 28.686 -2.691 -18.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 27.798 -0.854 -17.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 28.645 -1.120 -15.783 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 29.348 -0.192 -17.019 1.00 0.00 H new ATOM 882 N GLY B 16 30.422 -6.080 -13.106 1.00 0.00 N ATOM 883 CA GLY B 16 31.370 -7.229 -13.117 1.00 0.00 C ATOM 884 C GLY B 16 30.677 -8.450 -12.499 1.00 0.00 C ATOM 885 O GLY B 16 30.004 -9.193 -13.186 1.00 0.00 O ATOM 0 H GLY B 16 29.458 -6.320 -12.874 1.00 0.00 H new ATOM 0 HA2 GLY B 16 31.683 -7.450 -14.137 1.00 0.00 H new ATOM 0 HA3 GLY B 16 32.270 -6.981 -12.554 1.00 0.00 H new ATOM 889 N PRO B 17 30.859 -8.612 -11.213 1.00 0.00 N ATOM 890 CA PRO B 17 30.235 -9.747 -10.493 1.00 0.00 C ATOM 891 C PRO B 17 28.749 -9.451 -10.255 1.00 0.00 C ATOM 892 O PRO B 17 28.157 -8.642 -10.942 1.00 0.00 O ATOM 893 CB PRO B 17 31.005 -9.797 -9.174 1.00 0.00 C ATOM 894 CG PRO B 17 31.515 -8.406 -8.964 1.00 0.00 C ATOM 895 CD PRO B 17 31.657 -7.762 -10.321 1.00 0.00 C ATOM 0 HA PRO B 17 30.280 -10.691 -11.036 1.00 0.00 H new ATOM 0 HB2 PRO B 17 30.359 -10.108 -8.353 1.00 0.00 H new ATOM 0 HB3 PRO B 17 31.825 -10.514 -9.224 1.00 0.00 H new ATOM 0 HG2 PRO B 17 30.827 -7.836 -8.340 1.00 0.00 H new ATOM 0 HG3 PRO B 17 32.474 -8.424 -8.446 1.00 0.00 H new ATOM 0 HD2 PRO B 17 31.288 -6.736 -10.315 1.00 0.00 H new ATOM 0 HD3 PRO B 17 32.700 -7.724 -10.636 1.00 0.00 H new ATOM 903 N ARG B 18 28.140 -10.092 -9.291 1.00 0.00 N ATOM 904 CA ARG B 18 26.694 -9.834 -9.016 1.00 0.00 C ATOM 905 C ARG B 18 26.428 -8.323 -8.928 1.00 0.00 C ATOM 906 O ARG B 18 27.340 -7.520 -8.965 1.00 0.00 O ATOM 907 CB ARG B 18 26.409 -10.544 -7.675 1.00 0.00 C ATOM 908 CG ARG B 18 26.830 -9.673 -6.476 1.00 0.00 C ATOM 909 CD ARG B 18 28.351 -9.501 -6.462 1.00 0.00 C ATOM 910 NE ARG B 18 28.899 -10.886 -6.369 1.00 0.00 N ATOM 911 CZ ARG B 18 28.647 -11.622 -5.319 1.00 0.00 C ATOM 912 NH1 ARG B 18 28.964 -11.192 -4.129 1.00 0.00 N ATOM 913 NH2 ARG B 18 28.077 -12.787 -5.461 1.00 0.00 N ATOM 0 H ARG B 18 28.581 -10.782 -8.683 1.00 0.00 H new ATOM 0 HA ARG B 18 26.044 -10.208 -9.807 1.00 0.00 H new ATOM 0 HB2 ARG B 18 25.346 -10.775 -7.603 1.00 0.00 H new ATOM 0 HB3 ARG B 18 26.945 -11.493 -7.643 1.00 0.00 H new ATOM 0 HG2 ARG B 18 26.346 -8.698 -6.537 1.00 0.00 H new ATOM 0 HG3 ARG B 18 26.500 -10.136 -5.546 1.00 0.00 H new ATOM 0 HD2 ARG B 18 28.699 -8.999 -7.365 1.00 0.00 H new ATOM 0 HD3 ARG B 18 28.671 -8.893 -5.616 1.00 0.00 H new ATOM 0 HE ARG B 18 29.471 -11.259 -7.126 1.00 0.00 H new ATOM 0 HH11 ARG B 18 29.409 -10.281 -4.018 1.00 0.00 H new ATOM 0 HH12 ARG B 18 28.767 -11.767 -3.310 1.00 0.00 H new ATOM 0 HH21 ARG B 18 27.828 -13.123 -6.391 1.00 0.00 H new ATOM 0 HH22 ARG B 18 27.880 -13.362 -4.642 1.00 0.00 H new ATOM 927 N ARG B 19 25.192 -7.930 -8.807 1.00 0.00 N ATOM 928 CA ARG B 19 24.888 -6.474 -8.716 1.00 0.00 C ATOM 929 C ARG B 19 23.793 -6.217 -7.675 1.00 0.00 C ATOM 930 O ARG B 19 23.847 -5.262 -6.927 1.00 0.00 O ATOM 931 CB ARG B 19 24.403 -6.084 -10.112 1.00 0.00 C ATOM 932 CG ARG B 19 24.360 -4.559 -10.231 1.00 0.00 C ATOM 933 CD ARG B 19 23.535 -4.167 -11.459 1.00 0.00 C ATOM 934 NE ARG B 19 24.196 -4.862 -12.600 1.00 0.00 N ATOM 935 CZ ARG B 19 23.553 -5.029 -13.724 1.00 0.00 C ATOM 936 NH1 ARG B 19 22.593 -5.909 -13.801 1.00 0.00 N ATOM 937 NH2 ARG B 19 23.871 -4.316 -14.770 1.00 0.00 N ATOM 0 H ARG B 19 24.382 -8.549 -8.767 1.00 0.00 H new ATOM 0 HA ARG B 19 25.756 -5.893 -8.406 1.00 0.00 H new ATOM 0 HB2 ARG B 19 25.068 -6.500 -10.869 1.00 0.00 H new ATOM 0 HB3 ARG B 19 23.413 -6.501 -10.294 1.00 0.00 H new ATOM 0 HG2 ARG B 19 23.922 -4.125 -9.332 1.00 0.00 H new ATOM 0 HG3 ARG B 19 25.371 -4.161 -10.317 1.00 0.00 H new ATOM 0 HD2 ARG B 19 22.496 -4.480 -11.354 1.00 0.00 H new ATOM 0 HD3 ARG B 19 23.530 -3.087 -11.603 1.00 0.00 H new ATOM 0 HE ARG B 19 25.151 -5.207 -12.503 1.00 0.00 H new ATOM 0 HH11 ARG B 19 22.345 -6.466 -12.983 1.00 0.00 H new ATOM 0 HH12 ARG B 19 22.090 -6.040 -14.679 1.00 0.00 H new ATOM 0 HH21 ARG B 19 24.622 -3.628 -14.709 1.00 0.00 H new ATOM 0 HH22 ARG B 19 23.369 -4.447 -15.648 1.00 0.00 H new ATOM 951 N GLY B 20 22.797 -7.059 -7.625 1.00 0.00 N ATOM 952 CA GLY B 20 21.699 -6.857 -6.637 1.00 0.00 C ATOM 953 C GLY B 20 22.247 -7.005 -5.215 1.00 0.00 C ATOM 954 O GLY B 20 21.852 -6.295 -4.312 1.00 0.00 O ATOM 0 H GLY B 20 22.696 -7.878 -8.225 1.00 0.00 H new ATOM 0 HA2 GLY B 20 21.259 -5.868 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY B 20 20.905 -7.584 -6.808 1.00 0.00 H new ATOM 958 N GLU B 21 23.151 -7.922 -5.006 1.00 0.00 N ATOM 959 CA GLU B 21 23.717 -8.112 -3.638 1.00 0.00 C ATOM 960 C GLU B 21 24.578 -6.907 -3.247 1.00 0.00 C ATOM 961 O GLU B 21 24.703 -6.573 -2.085 1.00 0.00 O ATOM 962 CB GLU B 21 24.572 -9.376 -3.735 1.00 0.00 C ATOM 963 CG GLU B 21 23.773 -10.572 -3.214 1.00 0.00 C ATOM 964 CD GLU B 21 24.731 -11.606 -2.620 1.00 0.00 C ATOM 965 OE1 GLU B 21 25.198 -12.450 -3.366 1.00 0.00 O ATOM 966 OE2 GLU B 21 24.981 -11.536 -1.428 1.00 0.00 O ATOM 0 H GLU B 21 23.523 -8.548 -5.721 1.00 0.00 H new ATOM 0 HA GLU B 21 22.940 -8.203 -2.879 1.00 0.00 H new ATOM 0 HB2 GLU B 21 24.871 -9.547 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU B 21 25.487 -9.255 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU B 21 23.060 -10.245 -2.458 1.00 0.00 H new ATOM 0 HG3 GLU B 21 23.196 -11.018 -4.024 1.00 0.00 H new ATOM 973 N ILE B 22 25.168 -6.251 -4.207 1.00 0.00 N ATOM 974 CA ILE B 22 26.018 -5.066 -3.890 1.00 0.00 C ATOM 975 C ILE B 22 25.136 -3.885 -3.491 1.00 0.00 C ATOM 976 O ILE B 22 25.258 -3.339 -2.412 1.00 0.00 O ATOM 977 CB ILE B 22 26.765 -4.760 -5.185 1.00 0.00 C ATOM 978 CG1 ILE B 22 27.548 -5.997 -5.622 1.00 0.00 C ATOM 979 CG2 ILE B 22 27.727 -3.592 -4.955 1.00 0.00 C ATOM 980 CD1 ILE B 22 28.611 -6.331 -4.572 1.00 0.00 C ATOM 0 H ILE B 22 25.099 -6.483 -5.198 1.00 0.00 H new ATOM 0 HA ILE B 22 26.700 -5.253 -3.061 1.00 0.00 H new ATOM 0 HB ILE B 22 26.053 -4.490 -5.964 1.00 0.00 H new ATOM 0 HG12 ILE B 22 26.871 -6.842 -5.750 1.00 0.00 H new ATOM 0 HG13 ILE B 22 28.020 -5.818 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE B 22 28.261 -3.373 -5.880 1.00 0.00 H new ATOM 0 HG22 ILE B 22 27.163 -2.712 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE B 22 28.443 -3.858 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE B 22 29.168 -7.214 -4.886 1.00 0.00 H new ATOM 0 HD12 ILE B 22 29.295 -5.489 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE B 22 28.128 -6.528 -3.615 1.00 0.00 H new ATOM 992 N GLU B 23 24.243 -3.489 -4.353 1.00 0.00 N ATOM 993 CA GLU B 23 23.349 -2.353 -4.023 1.00 0.00 C ATOM 994 C GLU B 23 22.577 -2.668 -2.744 1.00 0.00 C ATOM 995 O GLU B 23 22.191 -1.783 -2.003 1.00 0.00 O ATOM 996 CB GLU B 23 22.432 -2.229 -5.243 1.00 0.00 C ATOM 997 CG GLU B 23 21.449 -1.083 -5.045 1.00 0.00 C ATOM 998 CD GLU B 23 20.029 -1.639 -4.926 1.00 0.00 C ATOM 999 OE1 GLU B 23 19.887 -2.744 -4.430 1.00 0.00 O ATOM 1000 OE2 GLU B 23 19.109 -0.950 -5.333 1.00 0.00 O ATOM 0 H GLU B 23 24.096 -3.905 -5.272 1.00 0.00 H new ATOM 0 HA GLU B 23 23.875 -1.418 -3.832 1.00 0.00 H new ATOM 0 HB2 GLU B 23 23.028 -2.056 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU B 23 21.889 -3.162 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU B 23 21.707 -0.521 -4.147 1.00 0.00 H new ATOM 0 HG3 GLU B 23 21.510 -0.390 -5.884 1.00 0.00 H new ATOM 1007 N GLU B 24 22.387 -3.925 -2.452 1.00 0.00 N ATOM 1008 CA GLU B 24 21.683 -4.285 -1.194 1.00 0.00 C ATOM 1009 C GLU B 24 22.597 -3.935 -0.022 1.00 0.00 C ATOM 1010 O GLU B 24 22.168 -3.417 0.993 1.00 0.00 O ATOM 1011 CB GLU B 24 21.450 -5.795 -1.278 1.00 0.00 C ATOM 1012 CG GLU B 24 20.894 -6.301 0.056 1.00 0.00 C ATOM 1013 CD GLU B 24 20.613 -7.802 -0.045 1.00 0.00 C ATOM 1014 OE1 GLU B 24 21.547 -8.571 0.109 1.00 0.00 O ATOM 1015 OE2 GLU B 24 19.468 -8.156 -0.274 1.00 0.00 O ATOM 0 H GLU B 24 22.687 -4.712 -3.027 1.00 0.00 H new ATOM 0 HA GLU B 24 20.740 -3.757 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU B 24 20.752 -6.022 -2.084 1.00 0.00 H new ATOM 0 HB3 GLU B 24 22.384 -6.305 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU B 24 21.608 -6.107 0.857 1.00 0.00 H new ATOM 0 HG3 GLU B 24 19.979 -5.765 0.308 1.00 0.00 H new ATOM 1022 N LEU B 25 23.866 -4.198 -0.174 1.00 0.00 N ATOM 1023 CA LEU B 25 24.832 -3.867 0.908 1.00 0.00 C ATOM 1024 C LEU B 25 24.893 -2.352 1.090 1.00 0.00 C ATOM 1025 O LEU B 25 25.233 -1.861 2.143 1.00 0.00 O ATOM 1026 CB LEU B 25 26.187 -4.399 0.432 1.00 0.00 C ATOM 1027 CG LEU B 25 26.814 -5.294 1.514 1.00 0.00 C ATOM 1028 CD1 LEU B 25 28.257 -5.621 1.122 1.00 0.00 C ATOM 1029 CD2 LEU B 25 26.807 -4.573 2.869 1.00 0.00 C ATOM 0 H LEU B 25 24.275 -4.629 -1.003 1.00 0.00 H new ATOM 0 HA LEU B 25 24.546 -4.306 1.864 1.00 0.00 H new ATOM 0 HB2 LEU B 25 26.060 -4.965 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU B 25 26.854 -3.567 0.206 1.00 0.00 H new ATOM 0 HG LEU B 25 26.233 -6.212 1.598 1.00 0.00 H new ATOM 0 HD11 LEU B 25 28.707 -6.255 1.886 1.00 0.00 H new ATOM 0 HD12 LEU B 25 28.265 -6.144 0.165 1.00 0.00 H new ATOM 0 HD13 LEU B 25 28.829 -4.697 1.035 1.00 0.00 H new ATOM 0 HD21 LEU B 25 27.254 -5.217 3.626 1.00 0.00 H new ATOM 0 HD22 LEU B 25 27.382 -3.650 2.793 1.00 0.00 H new ATOM 0 HD23 LEU B 25 25.781 -4.339 3.151 1.00 0.00 H new ATOM 1041 N HIS B 26 24.560 -1.604 0.070 1.00 0.00 N ATOM 1042 CA HIS B 26 24.590 -0.119 0.202 1.00 0.00 C ATOM 1043 C HIS B 26 23.442 0.327 1.107 1.00 0.00 C ATOM 1044 O HIS B 26 23.626 1.103 2.022 1.00 0.00 O ATOM 1045 CB HIS B 26 24.416 0.426 -1.216 1.00 0.00 C ATOM 1046 CG HIS B 26 24.287 1.925 -1.161 1.00 0.00 C ATOM 1047 ND1 HIS B 26 25.379 2.762 -0.985 1.00 0.00 N ATOM 1048 CD2 HIS B 26 23.196 2.748 -1.248 1.00 0.00 C ATOM 1049 CE1 HIS B 26 24.920 4.029 -0.971 1.00 0.00 C ATOM 1050 NE2 HIS B 26 23.595 4.076 -1.127 1.00 0.00 N ATOM 0 H HIS B 26 24.270 -1.955 -0.843 1.00 0.00 H new ATOM 0 HA HIS B 26 25.517 0.245 0.646 1.00 0.00 H new ATOM 0 HB2 HIS B 26 25.270 0.145 -1.833 1.00 0.00 H new ATOM 0 HB3 HIS B 26 23.531 -0.010 -1.679 1.00 0.00 H new ATOM 0 HD2 HIS B 26 22.178 2.416 -1.389 1.00 0.00 H new ATOM 0 HE1 HIS B 26 25.547 4.900 -0.849 1.00 0.00 H new ATOM 0 HE2 HIS B 26 23.003 4.906 -1.152 1.00 0.00 H new ATOM 1058 N LYS B 27 22.257 -0.172 0.874 1.00 0.00 N ATOM 1059 CA LYS B 27 21.111 0.218 1.745 1.00 0.00 C ATOM 1060 C LYS B 27 21.470 -0.074 3.204 1.00 0.00 C ATOM 1061 O LYS B 27 21.235 0.726 4.090 1.00 0.00 O ATOM 1062 CB LYS B 27 19.943 -0.657 1.286 1.00 0.00 C ATOM 1063 CG LYS B 27 18.823 0.232 0.742 1.00 0.00 C ATOM 1064 CD LYS B 27 18.812 0.160 -0.787 1.00 0.00 C ATOM 1065 CE LYS B 27 17.910 -0.991 -1.236 1.00 0.00 C ATOM 1066 NZ LYS B 27 18.776 -2.201 -1.172 1.00 0.00 N ATOM 0 H LYS B 27 22.034 -0.827 0.125 1.00 0.00 H new ATOM 0 HA LYS B 27 20.863 1.277 1.674 1.00 0.00 H new ATOM 0 HB2 LYS B 27 20.276 -1.352 0.516 1.00 0.00 H new ATOM 0 HB3 LYS B 27 19.574 -1.256 2.119 1.00 0.00 H new ATOM 0 HG2 LYS B 27 17.861 -0.093 1.139 1.00 0.00 H new ATOM 0 HG3 LYS B 27 18.971 1.262 1.067 1.00 0.00 H new ATOM 0 HD2 LYS B 27 18.453 1.101 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS B 27 19.824 0.011 -1.162 1.00 0.00 H new ATOM 0 HE2 LYS B 27 17.042 -1.091 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS B 27 17.533 -0.827 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 18.377 -2.946 -1.779 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 19.733 -1.961 -1.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 18.824 -2.542 -0.191 1.00 0.00 H new ATOM 1080 N LYS B 28 22.061 -1.210 3.458 1.00 0.00 N ATOM 1081 CA LYS B 28 22.456 -1.537 4.855 1.00 0.00 C ATOM 1082 C LYS B 28 23.457 -0.490 5.352 1.00 0.00 C ATOM 1083 O LYS B 28 23.336 0.031 6.440 1.00 0.00 O ATOM 1084 CB LYS B 28 23.112 -2.917 4.774 1.00 0.00 C ATOM 1085 CG LYS B 28 22.097 -3.990 5.174 1.00 0.00 C ATOM 1086 CD LYS B 28 21.540 -4.660 3.917 1.00 0.00 C ATOM 1087 CE LYS B 28 20.997 -6.045 4.274 1.00 0.00 C ATOM 1088 NZ LYS B 28 19.726 -6.166 3.506 1.00 0.00 N ATOM 0 H LYS B 28 22.286 -1.921 2.762 1.00 0.00 H new ATOM 0 HA LYS B 28 21.612 -1.539 5.544 1.00 0.00 H new ATOM 0 HB2 LYS B 28 23.472 -3.101 3.762 1.00 0.00 H new ATOM 0 HB3 LYS B 28 23.979 -2.958 5.433 1.00 0.00 H new ATOM 0 HG2 LYS B 28 22.571 -4.733 5.815 1.00 0.00 H new ATOM 0 HG3 LYS B 28 21.287 -3.543 5.750 1.00 0.00 H new ATOM 0 HD2 LYS B 28 20.748 -4.047 3.486 1.00 0.00 H new ATOM 0 HD3 LYS B 28 22.321 -4.748 3.162 1.00 0.00 H new ATOM 0 HE2 LYS B 28 21.702 -6.829 3.998 1.00 0.00 H new ATOM 0 HE3 LYS B 28 20.822 -6.137 5.346 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 19.406 -7.155 3.518 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 18.999 -5.561 3.940 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 19.884 -5.866 2.523 1.00 0.00 H new ATOM 1102 N PHE B 29 24.437 -0.172 4.544 1.00 0.00 N ATOM 1103 CA PHE B 29 25.449 0.850 4.943 1.00 0.00 C ATOM 1104 C PHE B 29 24.747 2.128 5.396 1.00 0.00 C ATOM 1105 O PHE B 29 25.201 2.811 6.292 1.00 0.00 O ATOM 1106 CB PHE B 29 26.281 1.104 3.681 1.00 0.00 C ATOM 1107 CG PHE B 29 27.117 -0.118 3.316 1.00 0.00 C ATOM 1108 CD1 PHE B 29 27.427 -1.115 4.281 1.00 0.00 C ATOM 1109 CD2 PHE B 29 27.601 -0.253 1.995 1.00 0.00 C ATOM 1110 CE1 PHE B 29 28.212 -2.231 3.919 1.00 0.00 C ATOM 1111 CE2 PHE B 29 28.385 -1.372 1.636 1.00 0.00 C ATOM 1112 CZ PHE B 29 28.691 -2.360 2.597 1.00 0.00 C ATOM 0 H PHE B 29 24.579 -0.580 3.620 1.00 0.00 H new ATOM 0 HA PHE B 29 26.071 0.517 5.774 1.00 0.00 H new ATOM 0 HB2 PHE B 29 25.620 1.357 2.852 1.00 0.00 H new ATOM 0 HB3 PHE B 29 26.935 1.961 3.840 1.00 0.00 H new ATOM 0 HD1 PHE B 29 27.061 -1.018 5.293 1.00 0.00 H new ATOM 0 HD2 PHE B 29 27.371 0.502 1.258 1.00 0.00 H new ATOM 0 HE1 PHE B 29 28.446 -2.987 4.654 1.00 0.00 H new ATOM 0 HE2 PHE B 29 28.751 -1.472 0.625 1.00 0.00 H new ATOM 0 HZ PHE B 29 29.291 -3.214 2.321 1.00 0.00 H new ATOM 1122 N HIS B 30 23.632 2.450 4.801 1.00 0.00 N ATOM 1123 CA HIS B 30 22.901 3.672 5.229 1.00 0.00 C ATOM 1124 C HIS B 30 22.408 3.456 6.656 1.00 0.00 C ATOM 1125 O HIS B 30 22.562 4.301 7.513 1.00 0.00 O ATOM 1126 CB HIS B 30 21.735 3.811 4.249 1.00 0.00 C ATOM 1127 CG HIS B 30 20.828 4.925 4.697 1.00 0.00 C ATOM 1128 ND1 HIS B 30 19.475 4.731 4.921 1.00 0.00 N ATOM 1129 CD2 HIS B 30 21.067 6.250 4.967 1.00 0.00 C ATOM 1130 CE1 HIS B 30 18.955 5.910 5.308 1.00 0.00 C ATOM 1131 NE2 HIS B 30 19.883 6.870 5.352 1.00 0.00 N ATOM 0 H HIS B 30 23.199 1.923 4.042 1.00 0.00 H new ATOM 0 HA HIS B 30 23.514 4.573 5.222 1.00 0.00 H new ATOM 0 HB2 HIS B 30 22.112 4.016 3.247 1.00 0.00 H new ATOM 0 HB3 HIS B 30 21.179 2.875 4.195 1.00 0.00 H new ATOM 0 HD2 HIS B 30 22.028 6.737 4.892 1.00 0.00 H new ATOM 0 HE1 HIS B 30 17.914 6.062 5.553 1.00 0.00 H new ATOM 0 HE2 HIS B 30 19.752 7.847 5.612 1.00 0.00 H new ATOM 1139 N GLU B 31 21.851 2.307 6.925 1.00 0.00 N ATOM 1140 CA GLU B 31 21.391 2.015 8.311 1.00 0.00 C ATOM 1141 C GLU B 31 22.580 1.505 9.144 1.00 0.00 C ATOM 1142 O GLU B 31 22.437 1.139 10.294 1.00 0.00 O ATOM 1143 CB GLU B 31 20.329 0.926 8.159 1.00 0.00 C ATOM 1144 CG GLU B 31 19.214 1.425 7.238 1.00 0.00 C ATOM 1145 CD GLU B 31 18.107 0.373 7.159 1.00 0.00 C ATOM 1146 OE1 GLU B 31 18.317 -0.632 6.500 1.00 0.00 O ATOM 1147 OE2 GLU B 31 17.067 0.589 7.760 1.00 0.00 O ATOM 0 H GLU B 31 21.695 1.561 6.247 1.00 0.00 H new ATOM 0 HA GLU B 31 20.990 2.893 8.817 1.00 0.00 H new ATOM 0 HB2 GLU B 31 20.777 0.021 7.748 1.00 0.00 H new ATOM 0 HB3 GLU B 31 19.919 0.664 9.135 1.00 0.00 H new ATOM 0 HG2 GLU B 31 18.811 2.365 7.614 1.00 0.00 H new ATOM 0 HG3 GLU B 31 19.612 1.625 6.243 1.00 0.00 H new ATOM 1154 N LEU B 32 23.756 1.482 8.561 1.00 0.00 N ATOM 1155 CA LEU B 32 24.966 1.004 9.287 1.00 0.00 C ATOM 1156 C LEU B 32 25.706 2.192 9.904 1.00 0.00 C ATOM 1157 O LEU B 32 26.366 2.067 10.916 1.00 0.00 O ATOM 1158 CB LEU B 32 25.829 0.365 8.191 1.00 0.00 C ATOM 1159 CG LEU B 32 26.848 -0.612 8.788 1.00 0.00 C ATOM 1160 CD1 LEU B 32 27.663 -1.227 7.648 1.00 0.00 C ATOM 1161 CD2 LEU B 32 27.800 0.122 9.734 1.00 0.00 C ATOM 0 H LEU B 32 23.926 1.779 7.600 1.00 0.00 H new ATOM 0 HA LEU B 32 24.729 0.313 10.096 1.00 0.00 H new ATOM 0 HB2 LEU B 32 25.190 -0.160 7.481 1.00 0.00 H new ATOM 0 HB3 LEU B 32 26.351 1.144 7.635 1.00 0.00 H new ATOM 0 HG LEU B 32 26.319 -1.385 9.345 1.00 0.00 H new ATOM 0 HD11 LEU B 32 28.393 -1.925 8.058 1.00 0.00 H new ATOM 0 HD12 LEU B 32 26.996 -1.757 6.969 1.00 0.00 H new ATOM 0 HD13 LEU B 32 28.182 -0.437 7.104 1.00 0.00 H new ATOM 0 HD21 LEU B 32 28.517 -0.586 10.150 1.00 0.00 H new ATOM 0 HD22 LEU B 32 28.333 0.898 9.184 1.00 0.00 H new ATOM 0 HD23 LEU B 32 27.229 0.578 10.543 1.00 0.00 H new ATOM 1173 N ILE B 33 25.629 3.342 9.284 1.00 0.00 N ATOM 1174 CA ILE B 33 26.365 4.522 9.830 1.00 0.00 C ATOM 1175 C ILE B 33 25.403 5.680 10.136 1.00 0.00 C ATOM 1176 O ILE B 33 25.762 6.634 10.797 1.00 0.00 O ATOM 1177 CB ILE B 33 27.368 4.910 8.729 1.00 0.00 C ATOM 1178 CG1 ILE B 33 26.623 5.496 7.525 1.00 0.00 C ATOM 1179 CG2 ILE B 33 28.159 3.670 8.289 1.00 0.00 C ATOM 1180 CD1 ILE B 33 27.629 5.957 6.472 1.00 0.00 C ATOM 0 H ILE B 33 25.094 3.514 8.433 1.00 0.00 H new ATOM 0 HA ILE B 33 26.864 4.291 10.771 1.00 0.00 H new ATOM 0 HB ILE B 33 28.056 5.658 9.123 1.00 0.00 H new ATOM 0 HG12 ILE B 33 25.954 4.748 7.100 1.00 0.00 H new ATOM 0 HG13 ILE B 33 26.003 6.335 7.842 1.00 0.00 H new ATOM 0 HG21 ILE B 33 28.868 3.948 7.509 1.00 0.00 H new ATOM 0 HG22 ILE B 33 28.700 3.262 9.143 1.00 0.00 H new ATOM 0 HG23 ILE B 33 27.471 2.918 7.902 1.00 0.00 H new ATOM 0 HD11 ILE B 33 27.096 6.373 5.617 1.00 0.00 H new ATOM 0 HD12 ILE B 33 28.280 6.719 6.900 1.00 0.00 H new ATOM 0 HD13 ILE B 33 28.230 5.108 6.147 1.00 0.00 H new