USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 755 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 65 GLN : amide:sc= -0.964! C(o=-0.96!,f=-1!) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 54 SER OG : rot 180:sc=-0.00782 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.319 K(o=-0.33,f=-1) USER MOD Set 3.1: A 29 TYR OH : rot 143:sc= 1.23 USER MOD Set 3.2: A 81 THR OG1 : rot 97:sc= 0.302 USER MOD Set 3.3: A 97 THR OG1 : rot 131:sc= 1.73 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= 0.808 K(o=0.81,f=-0.26) 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= 1.01 K(o=1,f=-4.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc=-0.00268 X(o=-0.0027,f=-0.31) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.323 USER MOD Single : A 57 CYS SG : rot -130:sc= -3.24! USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.0059) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.206 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.46! C(o=-2.5!,f=-3.8!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 150:sc= -0.111 USER MOD Single : A 89 HIS : no HE2:sc= -2.55! C(o=-2.5!,f=-4.4!) USER MOD Single : A 95 LYS NZ :NH3+ -138:sc= 0.785 (180deg=-0.0347) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N LEU A 13 -6.344 -4.879 4.371 1.00 64.54 N ATOM 139 CA LEU A 13 -5.006 -5.193 4.861 1.00 41.53 C ATOM 140 C LEU A 13 -4.768 -6.699 4.871 1.00 30.14 C ATOM 141 O LEU A 13 -3.673 -7.167 4.558 1.00 10.31 O ATOM 142 CB LEU A 13 -4.812 -4.625 6.269 1.00 35.13 C ATOM 143 CG LEU A 13 -3.519 -3.842 6.504 1.00 61.51 C ATOM 144 CD1 LEU A 13 -2.332 -4.580 5.905 1.00 33.34 C ATOM 145 CD2 LEU A 13 -3.630 -2.442 5.919 1.00 14.12 C ATOM 0 HA LEU A 13 -4.282 -4.735 4.187 1.00 41.53 H new ATOM 0 HB2 LEU A 13 -5.655 -3.972 6.495 1.00 35.13 H new ATOM 0 HB3 LEU A 13 -4.848 -5.450 6.980 1.00 35.13 H new ATOM 0 HG LEU A 13 -3.360 -3.753 7.579 1.00 61.51 H new ATOM 0 HD11 LEU A 13 -1.421 -4.008 6.082 1.00 33.34 H new ATOM 0 HD12 LEU A 13 -2.241 -5.561 6.371 1.00 33.34 H new ATOM 0 HD13 LEU A 13 -2.482 -4.700 4.832 1.00 33.34 H new ATOM 0 HD21 LEU A 13 -2.701 -1.899 6.095 1.00 14.12 H new ATOM 0 HD22 LEU A 13 -3.813 -2.509 4.847 1.00 14.12 H new ATOM 0 HD23 LEU A 13 -4.455 -1.913 6.395 1.00 14.12 H new ATOM 157 N ASP A 14 -5.802 -7.454 5.230 1.00 55.11 N ATOM 158 CA ASP A 14 -5.705 -8.909 5.276 1.00 44.55 C ATOM 159 C ASP A 14 -5.119 -9.456 3.980 1.00 11.11 C ATOM 160 O ASP A 14 -4.443 -10.485 3.977 1.00 70.22 O ATOM 161 CB ASP A 14 -7.084 -9.523 5.528 1.00 34.13 C ATOM 162 CG ASP A 14 -7.084 -10.486 6.698 1.00 51.15 C ATOM 163 OD1 ASP A 14 -7.228 -10.021 7.849 1.00 33.41 O ATOM 164 OD2 ASP A 14 -6.940 -11.704 6.464 1.00 25.01 O ATOM 0 H ASP A 14 -6.715 -7.083 5.493 1.00 55.11 H new ATOM 0 HA ASP A 14 -5.039 -9.180 6.095 1.00 44.55 H new ATOM 0 HB2 ASP A 14 -7.804 -8.727 5.717 1.00 34.13 H new ATOM 0 HB3 ASP A 14 -7.415 -10.046 4.631 1.00 34.13 H new ATOM 169 N LYS A 15 -5.382 -8.762 2.877 1.00 60.44 N ATOM 170 CA LYS A 15 -4.881 -9.179 1.572 1.00 53.25 C ATOM 171 C LYS A 15 -3.466 -8.659 1.343 1.00 53.21 C ATOM 172 O LYS A 15 -2.665 -9.293 0.656 1.00 62.34 O ATOM 173 CB LYS A 15 -5.806 -8.675 0.464 1.00 3.34 C ATOM 174 CG LYS A 15 -5.181 -8.724 -0.920 1.00 63.25 C ATOM 175 CD LYS A 15 -6.181 -9.181 -1.968 1.00 3.14 C ATOM 176 CE LYS A 15 -7.044 -8.027 -2.457 1.00 50.41 C ATOM 177 NZ LYS A 15 -8.492 -8.370 -2.437 1.00 45.12 N ATOM 0 H LYS A 15 -5.939 -7.908 2.861 1.00 60.44 H new ATOM 0 HA LYS A 15 -4.858 -10.269 1.550 1.00 53.25 H new ATOM 0 HB2 LYS A 15 -6.717 -9.273 0.463 1.00 3.34 H new ATOM 0 HB3 LYS A 15 -6.098 -7.649 0.685 1.00 3.34 H new ATOM 0 HG2 LYS A 15 -4.802 -7.737 -1.184 1.00 63.25 H new ATOM 0 HG3 LYS A 15 -4.327 -9.402 -0.911 1.00 63.25 H new ATOM 0 HD2 LYS A 15 -5.650 -9.622 -2.811 1.00 3.14 H new ATOM 0 HD3 LYS A 15 -6.817 -9.961 -1.549 1.00 3.14 H new ATOM 0 HE2 LYS A 15 -6.869 -7.152 -1.831 1.00 50.41 H new ATOM 0 HE3 LYS A 15 -6.749 -7.757 -3.471 1.00 50.41 H new ATOM 0 HZ1 LYS A 15 -9.046 -7.558 -2.777 1.00 45.12 H new ATOM 0 HZ2 LYS A 15 -8.663 -9.189 -3.055 1.00 45.12 H new ATOM 0 HZ3 LYS A 15 -8.780 -8.603 -1.465 1.00 45.12 H new ATOM 191 N TRP A 16 -3.163 -7.503 1.922 1.00 62.04 N ATOM 192 CA TRP A 16 -1.844 -6.899 1.782 1.00 14.11 C ATOM 193 C TRP A 16 -0.804 -7.669 2.588 1.00 53.12 C ATOM 194 O TRP A 16 0.332 -7.842 2.149 1.00 22.23 O ATOM 195 CB TRP A 16 -1.877 -5.438 2.233 1.00 51.02 C ATOM 196 CG TRP A 16 -0.517 -4.821 2.349 1.00 55.45 C ATOM 197 CD1 TRP A 16 0.230 -4.687 3.485 1.00 44.23 C ATOM 198 CD2 TRP A 16 0.260 -4.251 1.289 1.00 43.41 C ATOM 199 NE1 TRP A 16 1.422 -4.069 3.195 1.00 44.34 N ATOM 200 CE2 TRP A 16 1.465 -3.792 1.855 1.00 0.40 C ATOM 201 CE3 TRP A 16 0.054 -4.087 -0.084 1.00 12.31 C ATOM 202 CZ2 TRP A 16 2.458 -3.179 1.095 1.00 31.34 C ATOM 203 CZ3 TRP A 16 1.040 -3.478 -0.837 1.00 45.34 C ATOM 204 CH2 TRP A 16 2.229 -3.031 -0.247 1.00 55.24 C ATOM 0 H TRP A 16 -3.814 -6.965 2.494 1.00 62.04 H new ATOM 0 HA TRP A 16 -1.564 -6.940 0.729 1.00 14.11 H new ATOM 0 HB2 TRP A 16 -2.471 -4.860 1.525 1.00 51.02 H new ATOM 0 HB3 TRP A 16 -2.380 -5.374 3.198 1.00 51.02 H new ATOM 0 HD1 TRP A 16 -0.072 -5.018 4.467 1.00 44.23 H new ATOM 0 HE1 TRP A 16 2.156 -3.852 3.869 1.00 44.34 H new ATOM 0 HE3 TRP A 16 -0.859 -4.430 -0.548 1.00 12.31 H new ATOM 0 HZ2 TRP A 16 3.375 -2.833 1.548 1.00 31.34 H new ATOM 0 HZ3 TRP A 16 0.891 -3.345 -1.898 1.00 45.34 H new ATOM 0 HH2 TRP A 16 2.981 -2.560 -0.863 1.00 55.24 H new ATOM 215 N GLU A 17 -1.200 -8.129 3.771 1.00 64.24 N ATOM 216 CA GLU A 17 -0.300 -8.882 4.638 1.00 3.52 C ATOM 217 C GLU A 17 -0.153 -10.321 4.152 1.00 50.43 C ATOM 218 O GLU A 17 0.577 -11.116 4.744 1.00 30.10 O ATOM 219 CB GLU A 17 -0.817 -8.869 6.079 1.00 54.42 C ATOM 220 CG GLU A 17 -0.467 -7.599 6.839 1.00 25.20 C ATOM 221 CD GLU A 17 -0.718 -7.724 8.329 1.00 70.30 C ATOM 222 OE1 GLU A 17 -1.854 -8.070 8.714 1.00 32.13 O ATOM 223 OE2 GLU A 17 0.224 -7.477 9.110 1.00 51.24 O ATOM 0 H GLU A 17 -2.137 -7.994 4.151 1.00 64.24 H new ATOM 0 HA GLU A 17 0.679 -8.405 4.605 1.00 3.52 H new ATOM 0 HB2 GLU A 17 -1.900 -8.990 6.069 1.00 54.42 H new ATOM 0 HB3 GLU A 17 -0.406 -9.726 6.612 1.00 54.42 H new ATOM 0 HG2 GLU A 17 0.582 -7.356 6.670 1.00 25.20 H new ATOM 0 HG3 GLU A 17 -1.054 -6.770 6.444 1.00 25.20 H new ATOM 230 N LYS A 18 -0.851 -10.648 3.071 1.00 23.13 N ATOM 231 CA LYS A 18 -0.799 -11.990 2.503 1.00 12.20 C ATOM 232 C LYS A 18 0.273 -12.082 1.423 1.00 35.13 C ATOM 233 O LYS A 18 0.721 -13.174 1.070 1.00 24.31 O ATOM 234 CB LYS A 18 -2.160 -12.373 1.919 1.00 2.31 C ATOM 235 CG LYS A 18 -2.413 -13.870 1.894 1.00 41.04 C ATOM 236 CD LYS A 18 -3.802 -14.194 1.370 1.00 50.44 C ATOM 237 CE LYS A 18 -4.848 -14.106 2.472 1.00 31.23 C ATOM 238 NZ LYS A 18 -5.503 -15.420 2.719 1.00 34.25 N ATOM 0 H LYS A 18 -1.460 -10.002 2.570 1.00 23.13 H new ATOM 0 HA LYS A 18 -0.545 -12.686 3.303 1.00 12.20 H new ATOM 0 HB2 LYS A 18 -2.945 -11.890 2.502 1.00 2.31 H new ATOM 0 HB3 LYS A 18 -2.232 -11.984 0.903 1.00 2.31 H new ATOM 0 HG2 LYS A 18 -1.665 -14.356 1.268 1.00 41.04 H new ATOM 0 HG3 LYS A 18 -2.299 -14.276 2.899 1.00 41.04 H new ATOM 0 HD2 LYS A 18 -4.059 -13.504 0.567 1.00 50.44 H new ATOM 0 HD3 LYS A 18 -3.806 -15.197 0.942 1.00 50.44 H new ATOM 0 HE2 LYS A 18 -4.379 -13.755 3.391 1.00 31.23 H new ATOM 0 HE3 LYS A 18 -5.603 -13.369 2.198 1.00 31.23 H new ATOM 0 HZ1 LYS A 18 -6.209 -15.319 3.476 1.00 34.25 H new ATOM 0 HZ2 LYS A 18 -5.972 -15.743 1.849 1.00 34.25 H new ATOM 0 HZ3 LYS A 18 -4.786 -16.117 3.005 1.00 34.25 H new ATOM 252 N ILE A 19 0.683 -10.930 0.903 1.00 31.02 N ATOM 253 CA ILE A 19 1.706 -10.882 -0.136 1.00 44.15 C ATOM 254 C ILE A 19 3.102 -11.028 0.459 1.00 43.24 C ATOM 255 O ILE A 19 3.454 -10.341 1.419 1.00 2.54 O ATOM 256 CB ILE A 19 1.636 -9.567 -0.934 1.00 44.33 C ATOM 257 CG1 ILE A 19 0.239 -9.380 -1.531 1.00 31.41 C ATOM 258 CG2 ILE A 19 2.691 -9.554 -2.029 1.00 75.53 C ATOM 259 CD1 ILE A 19 -0.355 -8.015 -1.268 1.00 75.23 C ATOM 0 H ILE A 19 0.323 -10.018 1.183 1.00 31.02 H new ATOM 0 HA ILE A 19 1.511 -11.717 -0.809 1.00 44.15 H new ATOM 0 HB ILE A 19 1.835 -8.738 -0.255 1.00 44.33 H new ATOM 0 HG12 ILE A 19 0.288 -9.544 -2.607 1.00 31.41 H new ATOM 0 HG13 ILE A 19 -0.426 -10.141 -1.123 1.00 31.41 H new ATOM 0 HG21 ILE A 19 2.628 -8.618 -2.584 1.00 75.53 H new ATOM 0 HG22 ILE A 19 3.681 -9.645 -1.582 1.00 75.53 H new ATOM 0 HG23 ILE A 19 2.521 -10.390 -2.708 1.00 75.53 H new ATOM 0 HD11 ILE A 19 -1.345 -7.956 -1.720 1.00 75.23 H new ATOM 0 HD12 ILE A 19 -0.437 -7.855 -0.193 1.00 75.23 H new ATOM 0 HD13 ILE A 19 0.288 -7.249 -1.701 1.00 75.23 H new ATOM 271 N ARG A 20 3.893 -11.927 -0.116 1.00 72.11 N ATOM 272 CA ARG A 20 5.252 -12.163 0.358 1.00 1.22 C ATOM 273 C ARG A 20 6.191 -11.055 -0.109 1.00 52.11 C ATOM 274 O ARG A 20 5.842 -10.256 -0.980 1.00 72.32 O ATOM 275 CB ARG A 20 5.759 -13.519 -0.139 1.00 40.45 C ATOM 276 CG ARG A 20 5.060 -14.704 0.507 1.00 72.33 C ATOM 277 CD ARG A 20 5.359 -15.998 -0.234 1.00 74.44 C ATOM 278 NE ARG A 20 5.344 -17.155 0.657 1.00 61.33 N ATOM 279 CZ ARG A 20 5.502 -18.406 0.240 1.00 0.10 C ATOM 280 NH1 ARG A 20 5.686 -18.660 -1.048 1.00 34.42 N ATOM 281 NH2 ARG A 20 5.475 -19.406 1.112 1.00 72.20 N ATOM 0 H ARG A 20 3.617 -12.504 -0.910 1.00 72.11 H new ATOM 0 HA ARG A 20 5.235 -12.165 1.448 1.00 1.22 H new ATOM 0 HB2 ARG A 20 5.625 -13.574 -1.219 1.00 40.45 H new ATOM 0 HB3 ARG A 20 6.829 -13.590 0.054 1.00 40.45 H new ATOM 0 HG2 ARG A 20 5.380 -14.795 1.545 1.00 72.33 H new ATOM 0 HG3 ARG A 20 3.984 -14.531 0.519 1.00 72.33 H new ATOM 0 HD2 ARG A 20 4.623 -16.141 -1.026 1.00 74.44 H new ATOM 0 HD3 ARG A 20 6.334 -15.923 -0.715 1.00 74.44 H new ATOM 0 HE ARG A 20 5.205 -16.993 1.654 1.00 61.33 H new ATOM 0 HH11 ARG A 20 5.706 -17.894 -1.721 1.00 34.42 H new ATOM 0 HH12 ARG A 20 5.807 -19.622 -1.366 1.00 34.42 H new ATOM 0 HH21 ARG A 20 5.333 -19.214 2.104 1.00 72.20 H new ATOM 0 HH22 ARG A 20 5.596 -20.366 0.791 1.00 72.20 H new ATOM 295 N LEU A 21 7.382 -11.011 0.476 1.00 13.13 N ATOM 296 CA LEU A 21 8.373 -10.000 0.120 1.00 71.15 C ATOM 297 C LEU A 21 9.388 -10.558 -0.871 1.00 33.02 C ATOM 298 O LEU A 21 9.704 -9.921 -1.877 1.00 64.01 O ATOM 299 CB LEU A 21 9.090 -9.498 1.374 1.00 71.00 C ATOM 300 CG LEU A 21 8.196 -8.933 2.478 1.00 50.54 C ATOM 301 CD1 LEU A 21 9.037 -8.285 3.568 1.00 13.32 C ATOM 302 CD2 LEU A 21 7.205 -7.932 1.901 1.00 61.54 C ATOM 0 H LEU A 21 7.686 -11.663 1.199 1.00 13.13 H new ATOM 0 HA LEU A 21 7.853 -9.167 -0.352 1.00 71.15 H new ATOM 0 HB2 LEU A 21 9.671 -10.321 1.790 1.00 71.00 H new ATOM 0 HB3 LEU A 21 9.799 -8.725 1.078 1.00 71.00 H new ATOM 0 HG LEU A 21 7.635 -9.756 2.922 1.00 50.54 H new ATOM 0 HD11 LEU A 21 8.383 -7.889 4.345 1.00 13.32 H new ATOM 0 HD12 LEU A 21 9.706 -9.028 4.001 1.00 13.32 H new ATOM 0 HD13 LEU A 21 9.625 -7.473 3.140 1.00 13.32 H new ATOM 0 HD21 LEU A 21 6.577 -7.540 2.701 1.00 61.54 H new ATOM 0 HD22 LEU A 21 7.748 -7.112 1.431 1.00 61.54 H new ATOM 0 HD23 LEU A 21 6.580 -8.426 1.158 1.00 61.54 H new ATOM 314 N ARG A 22 9.896 -11.751 -0.583 1.00 61.15 N ATOM 315 CA ARG A 22 10.876 -12.395 -1.450 1.00 43.04 C ATOM 316 C ARG A 22 10.226 -13.499 -2.278 1.00 62.20 C ATOM 317 O ARG A 22 9.107 -13.936 -2.007 1.00 61.11 O ATOM 318 CB ARG A 22 12.022 -12.974 -0.619 1.00 72.13 C ATOM 319 CG ARG A 22 13.283 -12.127 -0.648 1.00 52.12 C ATOM 320 CD ARG A 22 13.604 -11.557 0.725 1.00 70.13 C ATOM 321 NE ARG A 22 13.070 -10.209 0.897 1.00 1.42 N ATOM 322 CZ ARG A 22 13.447 -9.387 1.870 1.00 21.43 C ATOM 323 NH1 ARG A 22 14.356 -9.774 2.754 1.00 74.10 N ATOM 324 NH2 ARG A 22 12.915 -8.174 1.959 1.00 72.11 N ATOM 0 H ARG A 22 9.645 -12.292 0.245 1.00 61.15 H new ATOM 0 HA ARG A 22 11.274 -11.641 -2.129 1.00 43.04 H new ATOM 0 HB2 ARG A 22 11.691 -13.083 0.414 1.00 72.13 H new ATOM 0 HB3 ARG A 22 12.257 -13.973 -0.986 1.00 72.13 H new ATOM 0 HG2 ARG A 22 14.120 -12.731 -0.997 1.00 52.12 H new ATOM 0 HG3 ARG A 22 13.159 -11.312 -1.361 1.00 52.12 H new ATOM 0 HD2 ARG A 22 13.192 -12.211 1.494 1.00 70.13 H new ATOM 0 HD3 ARG A 22 14.685 -11.539 0.867 1.00 70.13 H new ATOM 0 HE ARG A 22 12.369 -9.880 0.233 1.00 1.42 H new ATOM 0 HH11 ARG A 22 14.768 -10.705 2.688 1.00 74.10 H new ATOM 0 HH12 ARG A 22 14.644 -9.141 3.500 1.00 74.10 H new ATOM 0 HH21 ARG A 22 12.216 -7.873 1.280 1.00 72.11 H new ATOM 0 HH22 ARG A 22 13.205 -7.543 2.706 1.00 72.11 H new ATOM 338 N PRO A 23 10.942 -13.963 -3.314 1.00 41.34 N ATOM 339 CA PRO A 23 10.454 -15.021 -4.202 1.00 33.43 C ATOM 340 C PRO A 23 10.396 -16.379 -3.510 1.00 54.41 C ATOM 341 O PRO A 23 9.352 -17.029 -3.484 1.00 4.53 O ATOM 342 CB PRO A 23 11.488 -15.041 -5.331 1.00 50.32 C ATOM 343 CG PRO A 23 12.732 -14.498 -4.715 1.00 41.13 C ATOM 344 CD PRO A 23 12.282 -13.488 -3.696 1.00 44.05 C ATOM 0 HA PRO A 23 9.435 -14.831 -4.540 1.00 33.43 H new ATOM 0 HB2 PRO A 23 11.642 -16.052 -5.709 1.00 50.32 H new ATOM 0 HB3 PRO A 23 11.165 -14.431 -6.175 1.00 50.32 H new ATOM 0 HG2 PRO A 23 13.314 -15.292 -4.247 1.00 41.13 H new ATOM 0 HG3 PRO A 23 13.370 -14.035 -5.468 1.00 41.13 H new ATOM 0 HD2 PRO A 23 12.955 -13.454 -2.840 1.00 44.05 H new ATOM 0 HD3 PRO A 23 12.248 -12.482 -4.115 1.00 44.05 H new ATOM 352 N GLY A 24 11.526 -16.801 -2.949 1.00 3.41 N ATOM 353 CA GLY A 24 11.581 -18.079 -2.264 1.00 42.54 C ATOM 354 C GLY A 24 11.608 -17.927 -0.755 1.00 21.01 C ATOM 355 O GLY A 24 11.985 -18.852 -0.038 1.00 40.21 O ATOM 0 H GLY A 24 12.403 -16.281 -2.957 1.00 3.41 H new ATOM 0 HA2 GLY A 24 10.717 -18.679 -2.550 1.00 42.54 H new ATOM 0 HA3 GLY A 24 12.468 -18.623 -2.587 1.00 42.54 H new ATOM 359 N GLY A 25 11.207 -16.755 -0.272 1.00 13.24 N ATOM 360 CA GLY A 25 11.196 -16.505 1.157 1.00 74.52 C ATOM 361 C GLY A 25 9.847 -16.791 1.785 1.00 72.43 C ATOM 362 O GLY A 25 8.974 -17.388 1.155 1.00 40.11 O ATOM 0 H GLY A 25 10.889 -15.974 -0.846 1.00 13.24 H new ATOM 0 HA2 GLY A 25 11.955 -17.123 1.637 1.00 74.52 H new ATOM 0 HA3 GLY A 25 11.467 -15.466 1.343 1.00 74.52 H new ATOM 366 N LYS A 26 9.675 -16.366 3.033 1.00 2.42 N ATOM 367 CA LYS A 26 8.423 -16.580 3.748 1.00 43.44 C ATOM 368 C LYS A 26 7.937 -15.285 4.392 1.00 52.32 C ATOM 369 O LYS A 26 6.919 -15.267 5.083 1.00 44.33 O ATOM 370 CB LYS A 26 8.601 -17.658 4.818 1.00 22.12 C ATOM 371 CG LYS A 26 7.294 -18.288 5.271 1.00 12.31 C ATOM 372 CD LYS A 26 7.530 -19.604 5.992 1.00 62.35 C ATOM 373 CE LYS A 26 7.613 -20.768 5.016 1.00 60.10 C ATOM 374 NZ LYS A 26 6.650 -21.850 5.361 1.00 35.34 N ATOM 0 H LYS A 26 10.388 -15.871 3.570 1.00 2.42 H new ATOM 0 HA LYS A 26 7.674 -16.911 3.028 1.00 43.44 H new ATOM 0 HB2 LYS A 26 9.255 -18.439 4.430 1.00 22.12 H new ATOM 0 HB3 LYS A 26 9.103 -17.221 5.682 1.00 22.12 H new ATOM 0 HG2 LYS A 26 6.767 -17.600 5.932 1.00 12.31 H new ATOM 0 HG3 LYS A 26 6.651 -18.456 4.407 1.00 12.31 H new ATOM 0 HD2 LYS A 26 8.454 -19.544 6.568 1.00 62.35 H new ATOM 0 HD3 LYS A 26 6.723 -19.781 6.703 1.00 62.35 H new ATOM 0 HE2 LYS A 26 7.411 -20.410 4.006 1.00 60.10 H new ATOM 0 HE3 LYS A 26 8.626 -21.170 5.015 1.00 60.10 H new ATOM 0 HZ1 LYS A 26 6.737 -22.625 4.673 1.00 35.34 H new ATOM 0 HZ2 LYS A 26 6.858 -22.209 6.315 1.00 35.34 H new ATOM 0 HZ3 LYS A 26 5.681 -21.473 5.337 1.00 35.34 H new ATOM 388 N LYS A 27 8.671 -14.202 4.160 1.00 53.03 N ATOM 389 CA LYS A 27 8.314 -12.901 4.715 1.00 34.31 C ATOM 390 C LYS A 27 7.100 -12.320 4.000 1.00 44.31 C ATOM 391 O LYS A 27 6.917 -12.525 2.800 1.00 70.33 O ATOM 392 CB LYS A 27 9.496 -11.936 4.605 1.00 42.41 C ATOM 393 CG LYS A 27 10.195 -11.675 5.928 1.00 21.24 C ATOM 394 CD LYS A 27 9.678 -10.410 6.592 1.00 74.33 C ATOM 395 CE LYS A 27 9.778 -10.496 8.107 1.00 52.40 C ATOM 396 NZ LYS A 27 9.558 -9.172 8.753 1.00 41.02 N ATOM 0 H LYS A 27 9.518 -14.199 3.591 1.00 53.03 H new ATOM 0 HA LYS A 27 8.062 -13.038 5.767 1.00 34.31 H new ATOM 0 HB2 LYS A 27 10.219 -12.340 3.896 1.00 42.41 H new ATOM 0 HB3 LYS A 27 9.144 -10.989 4.197 1.00 42.41 H new ATOM 0 HG2 LYS A 27 10.044 -12.524 6.594 1.00 21.24 H new ATOM 0 HG3 LYS A 27 11.269 -11.587 5.762 1.00 21.24 H new ATOM 0 HD2 LYS A 27 10.248 -9.552 6.237 1.00 74.33 H new ATOM 0 HD3 LYS A 27 8.640 -10.244 6.303 1.00 74.33 H new ATOM 0 HE2 LYS A 27 9.042 -11.209 8.480 1.00 52.40 H new ATOM 0 HE3 LYS A 27 10.761 -10.877 8.385 1.00 52.40 H new ATOM 0 HZ1 LYS A 27 9.634 -9.272 9.785 1.00 41.02 H new ATOM 0 HZ2 LYS A 27 10.275 -8.498 8.417 1.00 41.02 H new ATOM 0 HZ3 LYS A 27 8.611 -8.820 8.509 1.00 41.02 H new ATOM 410 N GLN A 28 6.273 -11.591 4.744 1.00 23.44 N ATOM 411 CA GLN A 28 5.077 -10.980 4.180 1.00 5.02 C ATOM 412 C GLN A 28 5.180 -9.458 4.203 1.00 1.23 C ATOM 413 O GLN A 28 6.176 -8.901 4.666 1.00 23.32 O ATOM 414 CB GLN A 28 3.835 -11.430 4.952 1.00 13.34 C ATOM 415 CG GLN A 28 3.810 -12.920 5.247 1.00 73.30 C ATOM 416 CD GLN A 28 4.156 -13.236 6.690 1.00 12.34 C ATOM 417 OE1 GLN A 28 3.648 -12.602 7.614 1.00 44.21 O ATOM 418 NE2 GLN A 28 5.025 -14.220 6.889 1.00 11.23 N ATOM 0 H GLN A 28 6.410 -11.410 5.738 1.00 23.44 H new ATOM 0 HA GLN A 28 4.989 -11.305 3.143 1.00 5.02 H new ATOM 0 HB2 GLN A 28 3.783 -10.881 5.892 1.00 13.34 H new ATOM 0 HB3 GLN A 28 2.946 -11.166 4.379 1.00 13.34 H new ATOM 0 HG2 GLN A 28 2.820 -13.315 5.020 1.00 73.30 H new ATOM 0 HG3 GLN A 28 4.514 -13.429 4.589 1.00 73.30 H new ATOM 0 HE21 GLN A 28 5.421 -14.719 6.093 1.00 11.23 H new ATOM 0 HE22 GLN A 28 5.296 -14.477 7.838 1.00 11.23 H new ATOM 427 N TYR A 29 4.147 -8.791 3.700 1.00 65.53 N ATOM 428 CA TYR A 29 4.123 -7.335 3.662 1.00 4.24 C ATOM 429 C TYR A 29 3.423 -6.768 4.893 1.00 24.22 C ATOM 430 O TYR A 29 2.466 -7.352 5.402 1.00 43.20 O ATOM 431 CB TYR A 29 3.420 -6.849 2.392 1.00 62.14 C ATOM 432 CG TYR A 29 4.364 -6.587 1.240 1.00 64.14 C ATOM 433 CD1 TYR A 29 5.181 -5.464 1.228 1.00 34.04 C ATOM 434 CD2 TYR A 29 4.436 -7.462 0.163 1.00 74.34 C ATOM 435 CE1 TYR A 29 6.044 -5.220 0.177 1.00 30.12 C ATOM 436 CE2 TYR A 29 5.297 -7.228 -0.890 1.00 32.12 C ATOM 437 CZ TYR A 29 6.099 -6.105 -0.879 1.00 11.11 C ATOM 438 OH TYR A 29 6.957 -5.867 -1.928 1.00 22.54 O ATOM 0 H TYR A 29 3.315 -9.237 3.313 1.00 65.53 H new ATOM 0 HA TYR A 29 5.154 -6.980 3.658 1.00 4.24 H new ATOM 0 HB2 TYR A 29 2.685 -7.593 2.086 1.00 62.14 H new ATOM 0 HB3 TYR A 29 2.872 -5.934 2.617 1.00 62.14 H new ATOM 0 HD1 TYR A 29 5.141 -4.770 2.054 1.00 34.04 H new ATOM 0 HD2 TYR A 29 3.807 -8.340 0.150 1.00 74.34 H new ATOM 0 HE1 TYR A 29 6.672 -4.341 0.183 1.00 30.12 H new ATOM 0 HE2 TYR A 29 5.343 -7.920 -1.718 1.00 32.12 H new ATOM 0 HH TYR A 29 7.335 -6.716 -2.241 1.00 22.54 H new ATOM 448 N LYS A 30 3.906 -5.624 5.366 1.00 61.22 N ATOM 449 CA LYS A 30 3.327 -4.975 6.536 1.00 2.21 C ATOM 450 C LYS A 30 3.069 -3.496 6.266 1.00 53.33 C ATOM 451 O LYS A 30 3.702 -2.894 5.396 1.00 40.14 O ATOM 452 CB LYS A 30 4.256 -5.130 7.743 1.00 11.31 C ATOM 453 CG LYS A 30 3.524 -5.431 9.039 1.00 1.12 C ATOM 454 CD LYS A 30 4.403 -6.202 10.009 1.00 5.32 C ATOM 455 CE LYS A 30 4.739 -5.371 11.238 1.00 40.53 C ATOM 456 NZ LYS A 30 3.903 -5.751 12.411 1.00 35.22 N ATOM 0 H LYS A 30 4.697 -5.127 4.957 1.00 61.22 H new ATOM 0 HA LYS A 30 2.374 -5.458 6.754 1.00 2.21 H new ATOM 0 HB2 LYS A 30 4.967 -5.931 7.543 1.00 11.31 H new ATOM 0 HB3 LYS A 30 4.834 -4.214 7.866 1.00 11.31 H new ATOM 0 HG2 LYS A 30 3.202 -4.498 9.501 1.00 1.12 H new ATOM 0 HG3 LYS A 30 2.624 -6.008 8.824 1.00 1.12 H new ATOM 0 HD2 LYS A 30 3.894 -7.116 10.315 1.00 5.32 H new ATOM 0 HD3 LYS A 30 5.324 -6.502 9.508 1.00 5.32 H new ATOM 0 HE2 LYS A 30 5.793 -5.500 11.486 1.00 40.53 H new ATOM 0 HE3 LYS A 30 4.591 -4.315 11.014 1.00 40.53 H new ATOM 0 HZ1 LYS A 30 4.163 -5.162 13.228 1.00 35.22 H new ATOM 0 HZ2 LYS A 30 2.899 -5.604 12.184 1.00 35.22 H new ATOM 0 HZ3 LYS A 30 4.063 -6.752 12.642 1.00 35.22 H new ATOM 470 N LEU A 31 2.140 -2.914 7.016 1.00 72.30 N ATOM 471 CA LEU A 31 1.801 -1.505 6.859 1.00 45.31 C ATOM 472 C LEU A 31 3.060 -0.651 6.747 1.00 11.33 C ATOM 473 O LEU A 31 3.181 0.182 5.848 1.00 64.34 O ATOM 474 CB LEU A 31 0.952 -1.029 8.039 1.00 24.45 C ATOM 475 CG LEU A 31 -0.562 -1.183 7.882 1.00 22.33 C ATOM 476 CD1 LEU A 31 -1.232 -1.288 9.243 1.00 50.20 C ATOM 477 CD2 LEU A 31 -1.138 -0.018 7.090 1.00 34.43 C ATOM 0 H LEU A 31 1.608 -3.397 7.740 1.00 72.30 H new ATOM 0 HA LEU A 31 1.227 -1.396 5.939 1.00 45.31 H new ATOM 0 HB2 LEU A 31 1.263 -1.577 8.929 1.00 24.45 H new ATOM 0 HB3 LEU A 31 1.173 0.023 8.219 1.00 24.45 H new ATOM 0 HG LEU A 31 -0.759 -2.103 7.331 1.00 22.33 H new ATOM 0 HD11 LEU A 31 -2.308 -1.397 9.111 1.00 50.20 H new ATOM 0 HD12 LEU A 31 -0.842 -2.156 9.775 1.00 50.20 H new ATOM 0 HD13 LEU A 31 -1.027 -0.386 9.820 1.00 50.20 H new ATOM 0 HD21 LEU A 31 -2.216 -0.145 6.988 1.00 34.43 H new ATOM 0 HD22 LEU A 31 -0.930 0.916 7.613 1.00 34.43 H new ATOM 0 HD23 LEU A 31 -0.681 0.011 6.101 1.00 34.43 H new ATOM 489 N LYS A 32 3.996 -0.863 7.665 1.00 21.51 N ATOM 490 CA LYS A 32 5.248 -0.117 7.669 1.00 12.31 C ATOM 491 C LYS A 32 5.726 0.153 6.245 1.00 62.05 C ATOM 492 O LYS A 32 6.160 1.260 5.925 1.00 23.02 O ATOM 493 CB LYS A 32 6.323 -0.886 8.441 1.00 23.41 C ATOM 494 CG LYS A 32 6.764 -0.196 9.719 1.00 54.33 C ATOM 495 CD LYS A 32 5.630 -0.104 10.726 1.00 5.33 C ATOM 496 CE LYS A 32 5.987 0.807 11.889 1.00 13.11 C ATOM 497 NZ LYS A 32 5.321 2.135 11.780 1.00 33.54 N ATOM 0 H LYS A 32 3.911 -1.547 8.417 1.00 21.51 H new ATOM 0 HA LYS A 32 5.069 0.839 8.162 1.00 12.31 H new ATOM 0 HB2 LYS A 32 5.943 -1.878 8.686 1.00 23.41 H new ATOM 0 HB3 LYS A 32 7.190 -1.027 7.796 1.00 23.41 H new ATOM 0 HG2 LYS A 32 7.598 -0.743 10.159 1.00 54.33 H new ATOM 0 HG3 LYS A 32 7.126 0.805 9.486 1.00 54.33 H new ATOM 0 HD2 LYS A 32 4.733 0.270 10.232 1.00 5.33 H new ATOM 0 HD3 LYS A 32 5.395 -1.100 11.102 1.00 5.33 H new ATOM 0 HE2 LYS A 32 5.696 0.331 12.825 1.00 13.11 H new ATOM 0 HE3 LYS A 32 7.068 0.945 11.924 1.00 13.11 H new ATOM 0 HZ1 LYS A 32 5.590 2.726 12.592 1.00 33.54 H new ATOM 0 HZ2 LYS A 32 5.618 2.601 10.899 1.00 33.54 H new ATOM 0 HZ3 LYS A 32 4.289 2.006 11.773 1.00 33.54 H new ATOM 511 N HIS A 33 5.641 -0.865 5.395 1.00 41.34 N ATOM 512 CA HIS A 33 6.062 -0.737 4.004 1.00 22.33 C ATOM 513 C HIS A 33 5.141 0.213 3.244 1.00 31.14 C ATOM 514 O HIS A 33 5.673 1.061 2.526 1.00 71.12 O ATOM 515 CB HIS A 33 6.073 -2.107 3.324 1.00 15.14 C ATOM 516 CG HIS A 33 6.881 -3.133 4.058 1.00 24.55 C ATOM 517 ND1 HIS A 33 6.368 -4.348 4.459 1.00 71.44 N ATOM 518 CD2 HIS A 33 8.173 -3.120 4.462 1.00 43.40 C ATOM 519 CE1 HIS A 33 7.310 -5.037 5.079 1.00 64.41 C ATOM 520 NE2 HIS A 33 8.415 -4.314 5.094 1.00 23.22 N ATOM 0 H HIS A 33 5.285 -1.788 5.645 1.00 41.34 H new ATOM 0 HA HIS A 33 7.071 -0.325 3.992 1.00 22.33 H new ATOM 0 HB2 HIS A 33 5.048 -2.464 3.228 1.00 15.14 H new ATOM 0 HB3 HIS A 33 6.469 -1.999 2.314 1.00 15.14 H new ATOM 0 HD2 HIS A 33 8.882 -2.319 4.314 1.00 43.40 H new ATOM 0 HE1 HIS A 33 7.196 -6.024 5.502 1.00 64.41 H new ATOM 0 HE2 HIS A 33 9.303 -4.597 5.508 1.00 23.22 H new ATOM 528 N ILE A 34 3.825 0.099 3.376 1.00 45.43 N ATOM 529 CA ILE A 34 2.906 0.985 2.671 1.00 15.02 C ATOM 530 C ILE A 34 3.201 2.447 2.988 1.00 21.20 C ATOM 531 O ILE A 34 3.416 3.258 2.087 1.00 51.40 O ATOM 532 CB ILE A 34 1.441 0.678 3.029 1.00 61.03 C ATOM 533 CG1 ILE A 34 1.116 -0.787 2.731 1.00 40.44 C ATOM 534 CG2 ILE A 34 0.503 1.600 2.265 1.00 13.35 C ATOM 535 CD1 ILE A 34 -0.304 -1.175 3.084 1.00 72.44 C ATOM 0 H ILE A 34 3.370 -0.598 3.965 1.00 45.43 H new ATOM 0 HA ILE A 34 3.054 0.810 1.605 1.00 15.02 H new ATOM 0 HB ILE A 34 1.300 0.852 4.096 1.00 61.03 H new ATOM 0 HG12 ILE A 34 1.284 -0.980 1.671 1.00 40.44 H new ATOM 0 HG13 ILE A 34 1.806 -1.424 3.284 1.00 40.44 H new ATOM 0 HG21 ILE A 34 -0.529 1.370 2.530 1.00 13.35 H new ATOM 0 HG22 ILE A 34 0.721 2.636 2.523 1.00 13.35 H new ATOM 0 HG23 ILE A 34 0.644 1.456 1.194 1.00 13.35 H new ATOM 0 HD11 ILE A 34 -0.464 -2.227 2.846 1.00 72.44 H new ATOM 0 HD12 ILE A 34 -0.471 -1.014 4.149 1.00 72.44 H new ATOM 0 HD13 ILE A 34 -1.001 -0.564 2.511 1.00 72.44 H new ATOM 547 N VAL A 35 3.210 2.777 4.276 1.00 42.31 N ATOM 548 CA VAL A 35 3.480 4.142 4.713 1.00 71.32 C ATOM 549 C VAL A 35 4.824 4.631 4.186 1.00 11.24 C ATOM 550 O VAL A 35 4.915 5.709 3.597 1.00 20.14 O ATOM 551 CB VAL A 35 3.475 4.249 6.250 1.00 3.53 C ATOM 552 CG1 VAL A 35 3.799 5.671 6.686 1.00 71.44 C ATOM 553 CG2 VAL A 35 2.132 3.805 6.810 1.00 23.51 C ATOM 0 H VAL A 35 3.034 2.118 5.034 1.00 42.31 H new ATOM 0 HA VAL A 35 2.684 4.768 4.309 1.00 71.32 H new ATOM 0 HB VAL A 35 4.245 3.587 6.646 1.00 3.53 H new ATOM 0 HG11 VAL A 35 3.791 5.729 7.774 1.00 71.44 H new ATOM 0 HG12 VAL A 35 4.785 5.950 6.315 1.00 71.44 H new ATOM 0 HG13 VAL A 35 3.053 6.355 6.281 1.00 71.44 H new ATOM 0 HG21 VAL A 35 2.146 3.887 7.897 1.00 23.51 H new ATOM 0 HG22 VAL A 35 1.342 4.440 6.408 1.00 23.51 H new ATOM 0 HG23 VAL A 35 1.944 2.769 6.527 1.00 23.51 H new ATOM 563 N TRP A 36 5.864 3.834 4.401 1.00 22.35 N ATOM 564 CA TRP A 36 7.204 4.186 3.945 1.00 12.13 C ATOM 565 C TRP A 36 7.203 4.522 2.458 1.00 13.41 C ATOM 566 O TRP A 36 8.061 5.263 1.979 1.00 4.00 O ATOM 567 CB TRP A 36 8.177 3.038 4.220 1.00 44.34 C ATOM 568 CG TRP A 36 9.528 3.246 3.608 1.00 32.24 C ATOM 569 CD1 TRP A 36 10.612 3.836 4.192 1.00 50.41 C ATOM 570 CD2 TRP A 36 9.939 2.863 2.290 1.00 41.14 C ATOM 571 NE1 TRP A 36 11.672 3.845 3.317 1.00 3.32 N ATOM 572 CE2 TRP A 36 11.285 3.253 2.144 1.00 24.14 C ATOM 573 CE3 TRP A 36 9.302 2.228 1.221 1.00 42.50 C ATOM 574 CZ2 TRP A 36 12.001 3.029 0.971 1.00 74.34 C ATOM 575 CZ3 TRP A 36 10.014 2.007 0.057 1.00 73.52 C ATOM 576 CH2 TRP A 36 11.353 2.405 -0.059 1.00 5.05 C ATOM 0 H TRP A 36 5.806 2.940 4.888 1.00 22.35 H new ATOM 0 HA TRP A 36 7.528 5.068 4.497 1.00 12.13 H new ATOM 0 HB2 TRP A 36 8.289 2.916 5.297 1.00 44.34 H new ATOM 0 HB3 TRP A 36 7.751 2.111 3.837 1.00 44.34 H new ATOM 0 HD1 TRP A 36 10.633 4.237 5.195 1.00 50.41 H new ATOM 0 HE1 TRP A 36 12.597 4.230 3.510 1.00 3.32 H new ATOM 0 HE3 TRP A 36 8.271 1.915 1.303 1.00 42.50 H new ATOM 0 HZ2 TRP A 36 13.032 3.337 0.878 1.00 74.34 H new ATOM 0 HZ3 TRP A 36 9.531 1.520 -0.777 1.00 73.52 H new ATOM 0 HH2 TRP A 36 11.884 2.215 -0.980 1.00 5.05 H new ATOM 587 N ALA A 37 6.235 3.973 1.732 1.00 44.10 N ATOM 588 CA ALA A 37 6.122 4.217 0.299 1.00 63.32 C ATOM 589 C ALA A 37 5.452 5.559 0.022 1.00 35.54 C ATOM 590 O ALA A 37 5.952 6.360 -0.766 1.00 13.30 O ATOM 591 CB ALA A 37 5.347 3.090 -0.368 1.00 24.01 C ATOM 0 H ALA A 37 5.517 3.356 2.113 1.00 44.10 H new ATOM 0 HA ALA A 37 7.128 4.249 -0.120 1.00 63.32 H new ATOM 0 HB1 ALA A 37 5.270 3.285 -1.438 1.00 24.01 H new ATOM 0 HB2 ALA A 37 5.868 2.146 -0.208 1.00 24.01 H new ATOM 0 HB3 ALA A 37 4.348 3.031 0.063 1.00 24.01 H new ATOM 597 N SER A 38 4.319 5.795 0.674 1.00 43.33 N ATOM 598 CA SER A 38 3.578 7.039 0.494 1.00 72.33 C ATOM 599 C SER A 38 4.425 8.239 0.905 1.00 11.31 C ATOM 600 O SER A 38 4.376 9.294 0.271 1.00 34.31 O ATOM 601 CB SER A 38 2.285 7.009 1.310 1.00 74.13 C ATOM 602 OG SER A 38 1.858 8.320 1.636 1.00 43.24 O ATOM 0 H SER A 38 3.893 5.142 1.332 1.00 43.33 H new ATOM 0 HA SER A 38 3.330 7.136 -0.563 1.00 72.33 H new ATOM 0 HB2 SER A 38 1.505 6.499 0.744 1.00 74.13 H new ATOM 0 HB3 SER A 38 2.441 6.436 2.224 1.00 74.13 H new ATOM 0 HG SER A 38 1.029 8.274 2.156 1.00 43.24 H new ATOM 608 N ARG A 39 5.202 8.071 1.972 1.00 5.43 N ATOM 609 CA ARG A 39 6.058 9.141 2.468 1.00 71.34 C ATOM 610 C ARG A 39 7.162 9.464 1.465 1.00 42.40 C ATOM 611 O ARG A 39 7.830 10.491 1.575 1.00 55.45 O ATOM 612 CB ARG A 39 6.675 8.746 3.811 1.00 54.32 C ATOM 613 CG ARG A 39 7.177 9.929 4.623 1.00 43.31 C ATOM 614 CD ARG A 39 8.665 9.817 4.910 1.00 74.40 C ATOM 615 NE ARG A 39 9.210 11.051 5.473 1.00 22.34 N ATOM 616 CZ ARG A 39 10.510 11.293 5.590 1.00 3.52 C ATOM 617 NH1 ARG A 39 11.396 10.393 5.186 1.00 62.02 N ATOM 618 NH2 ARG A 39 10.927 12.440 6.111 1.00 55.35 N ATOM 0 H ARG A 39 5.255 7.205 2.508 1.00 5.43 H new ATOM 0 HA ARG A 39 5.443 10.031 2.604 1.00 71.34 H new ATOM 0 HB2 ARG A 39 5.933 8.203 4.396 1.00 54.32 H new ATOM 0 HB3 ARG A 39 7.504 8.061 3.633 1.00 54.32 H new ATOM 0 HG2 ARG A 39 6.979 10.854 4.081 1.00 43.31 H new ATOM 0 HG3 ARG A 39 6.628 9.986 5.563 1.00 43.31 H new ATOM 0 HD2 ARG A 39 8.839 8.994 5.604 1.00 74.40 H new ATOM 0 HD3 ARG A 39 9.194 9.574 3.989 1.00 74.40 H new ATOM 0 HE ARG A 39 8.556 11.765 5.793 1.00 22.34 H new ATOM 0 HH11 ARG A 39 11.080 9.511 4.784 1.00 62.02 H new ATOM 0 HH12 ARG A 39 12.394 10.583 5.278 1.00 62.02 H new ATOM 0 HH21 ARG A 39 10.249 13.136 6.422 1.00 55.35 H new ATOM 0 HH22 ARG A 39 11.926 12.626 6.201 1.00 55.35 H new ATOM 632 N GLU A 40 7.344 8.581 0.489 1.00 13.21 N ATOM 633 CA GLU A 40 8.367 8.773 -0.532 1.00 12.44 C ATOM 634 C GLU A 40 7.801 9.521 -1.736 1.00 21.31 C ATOM 635 O GLU A 40 8.471 10.369 -2.326 1.00 14.14 O ATOM 636 CB GLU A 40 8.935 7.424 -0.978 1.00 71.13 C ATOM 637 CG GLU A 40 10.271 7.531 -1.692 1.00 71.14 C ATOM 638 CD GLU A 40 11.325 8.230 -0.856 1.00 54.44 C ATOM 639 OE1 GLU A 40 11.748 7.657 0.170 1.00 24.45 O ATOM 640 OE2 GLU A 40 11.728 9.353 -1.227 1.00 23.35 O ATOM 0 H GLU A 40 6.797 7.726 0.384 1.00 13.21 H new ATOM 0 HA GLU A 40 9.168 9.371 -0.098 1.00 12.44 H new ATOM 0 HB2 GLU A 40 9.050 6.781 -0.105 1.00 71.13 H new ATOM 0 HB3 GLU A 40 8.217 6.938 -1.639 1.00 71.13 H new ATOM 0 HG2 GLU A 40 10.622 6.532 -1.951 1.00 71.14 H new ATOM 0 HG3 GLU A 40 10.136 8.074 -2.628 1.00 71.14 H new ATOM 647 N LEU A 41 6.563 9.201 -2.094 1.00 20.43 N ATOM 648 CA LEU A 41 5.905 9.841 -3.229 1.00 63.54 C ATOM 649 C LEU A 41 5.941 11.359 -3.093 1.00 71.23 C ATOM 650 O LEU A 41 6.210 12.071 -4.059 1.00 13.25 O ATOM 651 CB LEU A 41 4.455 9.362 -3.339 1.00 72.34 C ATOM 652 CG LEU A 41 4.260 7.915 -3.790 1.00 65.53 C ATOM 653 CD1 LEU A 41 2.779 7.580 -3.883 1.00 4.14 C ATOM 654 CD2 LEU A 41 4.948 7.674 -5.125 1.00 32.52 C ATOM 0 H LEU A 41 5.994 8.503 -1.616 1.00 20.43 H new ATOM 0 HA LEU A 41 6.444 9.562 -4.135 1.00 63.54 H new ATOM 0 HB2 LEU A 41 3.977 9.486 -2.367 1.00 72.34 H new ATOM 0 HB3 LEU A 41 3.930 10.013 -4.038 1.00 72.34 H new ATOM 0 HG LEU A 41 4.714 7.259 -3.047 1.00 65.53 H new ATOM 0 HD11 LEU A 41 2.659 6.546 -4.206 1.00 4.14 H new ATOM 0 HD12 LEU A 41 2.314 7.711 -2.906 1.00 4.14 H new ATOM 0 HD13 LEU A 41 2.301 8.243 -4.604 1.00 4.14 H new ATOM 0 HD21 LEU A 41 4.798 6.638 -5.430 1.00 32.52 H new ATOM 0 HD22 LEU A 41 4.524 8.339 -5.878 1.00 32.52 H new ATOM 0 HD23 LEU A 41 6.015 7.872 -5.025 1.00 32.52 H new ATOM 666 N GLU A 42 5.671 11.847 -1.886 1.00 15.41 N ATOM 667 CA GLU A 42 5.676 13.282 -1.624 1.00 21.24 C ATOM 668 C GLU A 42 6.988 13.914 -2.079 1.00 4.44 C ATOM 669 O GLU A 42 7.001 15.016 -2.627 1.00 53.42 O ATOM 670 CB GLU A 42 5.456 13.552 -0.135 1.00 24.30 C ATOM 671 CG GLU A 42 4.152 14.272 0.167 1.00 1.13 C ATOM 672 CD GLU A 42 4.351 15.752 0.434 1.00 1.31 C ATOM 673 OE1 GLU A 42 5.062 16.090 1.404 1.00 5.43 O ATOM 674 OE2 GLU A 42 3.798 16.571 -0.329 1.00 24.23 O ATOM 0 H GLU A 42 5.446 11.271 -1.075 1.00 15.41 H new ATOM 0 HA GLU A 42 4.861 13.731 -2.191 1.00 21.24 H new ATOM 0 HB2 GLU A 42 5.471 12.604 0.404 1.00 24.30 H new ATOM 0 HB3 GLU A 42 6.286 14.148 0.244 1.00 24.30 H new ATOM 0 HG2 GLU A 42 3.469 14.147 -0.673 1.00 1.13 H new ATOM 0 HG3 GLU A 42 3.679 13.811 1.034 1.00 1.13 H new ATOM 681 N ARG A 43 8.090 13.208 -1.846 1.00 1.23 N ATOM 682 CA ARG A 43 9.408 13.700 -2.230 1.00 1.10 C ATOM 683 C ARG A 43 9.640 13.523 -3.728 1.00 61.55 C ATOM 684 O ARG A 43 10.454 14.225 -4.327 1.00 14.22 O ATOM 685 CB ARG A 43 10.497 12.967 -1.444 1.00 50.23 C ATOM 686 CG ARG A 43 11.771 13.778 -1.269 1.00 24.42 C ATOM 687 CD ARG A 43 12.072 14.033 0.200 1.00 1.03 C ATOM 688 NE ARG A 43 13.479 14.353 0.422 1.00 2.43 N ATOM 689 CZ ARG A 43 14.449 13.446 0.419 1.00 41.44 C ATOM 690 NH1 ARG A 43 14.166 12.169 0.206 1.00 61.41 N ATOM 691 NH2 ARG A 43 15.706 13.816 0.629 1.00 55.33 N ATOM 0 H ARG A 43 8.096 12.294 -1.393 1.00 1.23 H new ATOM 0 HA ARG A 43 9.454 14.764 -1.997 1.00 1.10 H new ATOM 0 HB2 ARG A 43 10.108 12.701 -0.461 1.00 50.23 H new ATOM 0 HB3 ARG A 43 10.737 12.035 -1.955 1.00 50.23 H new ATOM 0 HG2 ARG A 43 12.607 13.248 -1.726 1.00 24.42 H new ATOM 0 HG3 ARG A 43 11.673 14.729 -1.792 1.00 24.42 H new ATOM 0 HD2 ARG A 43 11.452 14.854 0.560 1.00 1.03 H new ATOM 0 HD3 ARG A 43 11.804 13.152 0.783 1.00 1.03 H new ATOM 0 HE ARG A 43 13.731 15.327 0.589 1.00 2.43 H new ATOM 0 HH11 ARG A 43 13.201 11.881 0.044 1.00 61.41 H new ATOM 0 HH12 ARG A 43 14.913 11.474 0.204 1.00 61.41 H new ATOM 0 HH21 ARG A 43 15.928 14.798 0.793 1.00 55.33 H new ATOM 0 HH22 ARG A 43 16.450 13.118 0.626 1.00 55.33 H new ATOM 705 N PHE A 44 8.919 12.580 -4.325 1.00 23.20 N ATOM 706 CA PHE A 44 9.047 12.308 -5.752 1.00 15.54 C ATOM 707 C PHE A 44 8.039 13.127 -6.554 1.00 14.40 C ATOM 708 O PHE A 44 7.652 12.746 -7.658 1.00 55.12 O ATOM 709 CB PHE A 44 8.847 10.818 -6.030 1.00 22.23 C ATOM 710 CG PHE A 44 10.124 10.029 -6.019 1.00 74.41 C ATOM 711 CD1 PHE A 44 11.133 10.305 -6.928 1.00 61.21 C ATOM 712 CD2 PHE A 44 10.318 9.012 -5.098 1.00 20.55 C ATOM 713 CE1 PHE A 44 12.310 9.580 -6.920 1.00 63.12 C ATOM 714 CE2 PHE A 44 11.493 8.283 -5.084 1.00 1.34 C ATOM 715 CZ PHE A 44 12.490 8.569 -5.997 1.00 75.24 C ATOM 0 H PHE A 44 8.240 11.991 -3.843 1.00 23.20 H new ATOM 0 HA PHE A 44 10.052 12.595 -6.062 1.00 15.54 H new ATOM 0 HB2 PHE A 44 8.168 10.405 -5.284 1.00 22.23 H new ATOM 0 HB3 PHE A 44 8.364 10.699 -7.000 1.00 22.23 H new ATOM 0 HD1 PHE A 44 10.998 11.096 -7.651 1.00 61.21 H new ATOM 0 HD2 PHE A 44 9.542 8.786 -4.382 1.00 20.55 H new ATOM 0 HE1 PHE A 44 13.088 9.804 -7.635 1.00 63.12 H new ATOM 0 HE2 PHE A 44 11.631 7.492 -4.361 1.00 1.34 H new ATOM 0 HZ PHE A 44 13.409 8.002 -5.989 1.00 75.24 H new ATOM 725 N ALA A 45 7.618 14.254 -5.988 1.00 22.13 N ATOM 726 CA ALA A 45 6.656 15.127 -6.650 1.00 42.13 C ATOM 727 C ALA A 45 5.405 14.356 -7.059 1.00 61.11 C ATOM 728 O ALA A 45 4.692 14.754 -7.980 1.00 32.32 O ATOM 729 CB ALA A 45 7.292 15.787 -7.865 1.00 43.33 C ATOM 0 H ALA A 45 7.928 14.583 -5.074 1.00 22.13 H new ATOM 0 HA ALA A 45 6.359 15.901 -5.943 1.00 42.13 H new ATOM 0 HB1 ALA A 45 6.563 16.436 -8.350 1.00 43.33 H new ATOM 0 HB2 ALA A 45 8.151 16.379 -7.550 1.00 43.33 H new ATOM 0 HB3 ALA A 45 7.618 15.020 -8.567 1.00 43.33 H new ATOM 735 N VAL A 46 5.145 13.251 -6.368 1.00 12.15 N ATOM 736 CA VAL A 46 3.980 12.424 -6.660 1.00 43.44 C ATOM 737 C VAL A 46 2.994 12.433 -5.496 1.00 55.24 C ATOM 738 O VAL A 46 3.386 12.294 -4.337 1.00 24.22 O ATOM 739 CB VAL A 46 4.385 10.970 -6.964 1.00 40.14 C ATOM 740 CG1 VAL A 46 3.152 10.092 -7.117 1.00 51.42 C ATOM 741 CG2 VAL A 46 5.251 10.908 -8.212 1.00 40.32 C ATOM 0 H VAL A 46 5.725 12.908 -5.602 1.00 12.15 H new ATOM 0 HA VAL A 46 3.502 12.851 -7.541 1.00 43.44 H new ATOM 0 HB VAL A 46 4.969 10.592 -6.125 1.00 40.14 H new ATOM 0 HG11 VAL A 46 3.459 9.068 -7.332 1.00 51.42 H new ATOM 0 HG12 VAL A 46 2.574 10.112 -6.193 1.00 51.42 H new ATOM 0 HG13 VAL A 46 2.538 10.466 -7.936 1.00 51.42 H new ATOM 0 HG21 VAL A 46 5.528 9.873 -8.412 1.00 40.32 H new ATOM 0 HG22 VAL A 46 4.695 11.305 -9.061 1.00 40.32 H new ATOM 0 HG23 VAL A 46 6.152 11.502 -8.059 1.00 40.32 H new ATOM 751 N ASN A 47 1.715 12.598 -5.812 1.00 63.43 N ATOM 752 CA ASN A 47 0.672 12.624 -4.791 1.00 12.45 C ATOM 753 C ASN A 47 0.532 11.261 -4.122 1.00 42.42 C ATOM 754 O ASN A 47 0.451 10.223 -4.779 1.00 53.32 O ATOM 755 CB ASN A 47 -0.663 13.041 -5.409 1.00 44.32 C ATOM 756 CG ASN A 47 -0.570 14.359 -6.154 1.00 21.45 C ATOM 757 OD1 ASN A 47 0.182 15.253 -5.766 1.00 71.44 O ATOM 758 ND2 ASN A 47 -1.336 14.485 -7.232 1.00 60.30 N ATOM 0 H ASN A 47 1.374 12.716 -6.766 1.00 63.43 H new ATOM 0 HA ASN A 47 0.958 13.353 -4.033 1.00 12.45 H new ATOM 0 HB2 ASN A 47 -1.002 12.263 -6.093 1.00 44.32 H new ATOM 0 HB3 ASN A 47 -1.414 13.123 -4.623 1.00 44.32 H new ATOM 0 HD21 ASN A 47 -1.315 15.349 -7.774 1.00 60.30 H new ATOM 0 HD22 ASN A 47 -1.945 13.718 -7.518 1.00 60.30 H new ATOM 765 N PRO A 48 0.501 11.261 -2.780 1.00 13.31 N ATOM 766 CA PRO A 48 0.370 10.033 -1.991 1.00 50.12 C ATOM 767 C PRO A 48 -1.015 9.407 -2.120 1.00 32.02 C ATOM 768 O PRO A 48 -1.260 8.312 -1.618 1.00 23.43 O ATOM 769 CB PRO A 48 0.611 10.507 -0.556 1.00 33.40 C ATOM 770 CG PRO A 48 0.237 11.948 -0.563 1.00 4.55 C ATOM 771 CD PRO A 48 0.594 12.461 -1.931 1.00 22.31 C ATOM 0 HA PRO A 48 1.063 9.260 -2.321 1.00 50.12 H new ATOM 0 HB2 PRO A 48 0.004 9.944 0.153 1.00 33.40 H new ATOM 0 HB3 PRO A 48 1.652 10.370 -0.264 1.00 33.40 H new ATOM 0 HG2 PRO A 48 -0.827 12.076 -0.363 1.00 4.55 H new ATOM 0 HG3 PRO A 48 0.775 12.495 0.212 1.00 4.55 H new ATOM 0 HD2 PRO A 48 -0.093 13.240 -2.260 1.00 22.31 H new ATOM 0 HD3 PRO A 48 1.596 12.890 -1.950 1.00 22.31 H new ATOM 779 N GLY A 49 -1.917 10.111 -2.797 1.00 12.13 N ATOM 780 CA GLY A 49 -3.266 9.609 -2.980 1.00 22.41 C ATOM 781 C GLY A 49 -3.380 8.675 -4.169 1.00 64.44 C ATOM 782 O GLY A 49 -4.362 7.942 -4.299 1.00 60.41 O ATOM 0 H GLY A 49 -1.737 11.021 -3.222 1.00 12.13 H new ATOM 0 HA2 GLY A 49 -3.581 9.084 -2.078 1.00 22.41 H new ATOM 0 HA3 GLY A 49 -3.948 10.449 -3.115 1.00 22.41 H new ATOM 786 N LEU A 50 -2.377 8.701 -5.038 1.00 0.02 N ATOM 787 CA LEU A 50 -2.370 7.851 -6.224 1.00 30.43 C ATOM 788 C LEU A 50 -2.390 6.376 -5.837 1.00 72.42 C ATOM 789 O LEU A 50 -2.987 5.550 -6.528 1.00 70.43 O ATOM 790 CB LEU A 50 -1.138 8.149 -7.081 1.00 60.43 C ATOM 791 CG LEU A 50 -1.117 9.511 -7.774 1.00 34.23 C ATOM 792 CD1 LEU A 50 0.201 9.716 -8.507 1.00 62.42 C ATOM 793 CD2 LEU A 50 -2.288 9.638 -8.736 1.00 44.20 C ATOM 0 H LEU A 50 -1.558 9.301 -4.945 1.00 0.02 H new ATOM 0 HA LEU A 50 -3.268 8.068 -6.802 1.00 30.43 H new ATOM 0 HB2 LEU A 50 -0.253 8.071 -6.449 1.00 60.43 H new ATOM 0 HB3 LEU A 50 -1.054 7.374 -7.843 1.00 60.43 H new ATOM 0 HG LEU A 50 -1.212 10.286 -7.013 1.00 34.23 H new ATOM 0 HD11 LEU A 50 0.198 10.691 -8.995 1.00 62.42 H new ATOM 0 HD12 LEU A 50 1.025 9.669 -7.795 1.00 62.42 H new ATOM 0 HD13 LEU A 50 0.325 8.935 -9.257 1.00 62.42 H new ATOM 0 HD21 LEU A 50 -2.257 10.614 -9.220 1.00 44.20 H new ATOM 0 HD22 LEU A 50 -2.224 8.856 -9.492 1.00 44.20 H new ATOM 0 HD23 LEU A 50 -3.223 9.536 -8.186 1.00 44.20 H new ATOM 805 N LEU A 51 -1.735 6.052 -4.727 1.00 75.35 N ATOM 806 CA LEU A 51 -1.679 4.676 -4.245 1.00 20.02 C ATOM 807 C LEU A 51 -3.036 4.230 -3.712 1.00 45.52 C ATOM 808 O LEU A 51 -3.239 3.055 -3.407 1.00 0.31 O ATOM 809 CB LEU A 51 -0.618 4.540 -3.151 1.00 42.22 C ATOM 810 CG LEU A 51 0.806 4.937 -3.544 1.00 44.03 C ATOM 811 CD1 LEU A 51 1.702 4.989 -2.317 1.00 42.23 C ATOM 812 CD2 LEU A 51 1.364 3.967 -4.574 1.00 53.41 C ATOM 0 H LEU A 51 -1.235 6.723 -4.144 1.00 75.35 H new ATOM 0 HA LEU A 51 -1.410 4.034 -5.084 1.00 20.02 H new ATOM 0 HB2 LEU A 51 -0.922 5.150 -2.300 1.00 42.22 H new ATOM 0 HB3 LEU A 51 -0.605 3.504 -2.812 1.00 42.22 H new ATOM 0 HG LEU A 51 0.777 5.931 -3.990 1.00 44.03 H new ATOM 0 HD11 LEU A 51 2.711 5.273 -2.615 1.00 42.23 H new ATOM 0 HD12 LEU A 51 1.312 5.723 -1.612 1.00 42.23 H new ATOM 0 HD13 LEU A 51 1.726 4.008 -1.842 1.00 42.23 H new ATOM 0 HD21 LEU A 51 2.378 4.264 -4.842 1.00 53.41 H new ATOM 0 HD22 LEU A 51 1.380 2.961 -4.155 1.00 53.41 H new ATOM 0 HD23 LEU A 51 0.735 3.980 -5.464 1.00 53.41 H new ATOM 824 N GLU A 52 -3.964 5.177 -3.603 1.00 22.13 N ATOM 825 CA GLU A 52 -5.303 4.880 -3.108 1.00 31.22 C ATOM 826 C GLU A 52 -6.110 4.111 -4.149 1.00 2.04 C ATOM 827 O GLU A 52 -6.968 3.296 -3.810 1.00 71.14 O ATOM 828 CB GLU A 52 -6.031 6.174 -2.735 1.00 73.42 C ATOM 829 CG GLU A 52 -7.370 5.944 -2.054 1.00 22.35 C ATOM 830 CD GLU A 52 -7.885 7.183 -1.349 1.00 25.13 C ATOM 831 OE1 GLU A 52 -7.511 8.300 -1.761 1.00 61.41 O ATOM 832 OE2 GLU A 52 -8.665 7.034 -0.384 1.00 63.43 O ATOM 0 H GLU A 52 -3.813 6.155 -3.851 1.00 22.13 H new ATOM 0 HA GLU A 52 -5.204 4.258 -2.219 1.00 31.22 H new ATOM 0 HB2 GLU A 52 -5.394 6.762 -2.075 1.00 73.42 H new ATOM 0 HB3 GLU A 52 -6.188 6.765 -3.637 1.00 73.42 H new ATOM 0 HG2 GLU A 52 -8.101 5.623 -2.796 1.00 22.35 H new ATOM 0 HG3 GLU A 52 -7.272 5.134 -1.332 1.00 22.35 H new ATOM 839 N THR A 53 -5.830 4.376 -5.422 1.00 51.43 N ATOM 840 CA THR A 53 -6.530 3.713 -6.513 1.00 22.43 C ATOM 841 C THR A 53 -5.555 2.974 -7.424 1.00 72.15 C ATOM 842 O THR A 53 -4.424 3.415 -7.626 1.00 45.25 O ATOM 843 CB THR A 53 -7.340 4.716 -7.355 1.00 63.04 C ATOM 844 OG1 THR A 53 -6.521 5.251 -8.401 1.00 44.53 O ATOM 845 CG2 THR A 53 -7.867 5.849 -6.487 1.00 3.11 C ATOM 0 H THR A 53 -5.122 5.046 -5.722 1.00 51.43 H new ATOM 0 HA THR A 53 -7.214 2.996 -6.058 1.00 22.43 H new ATOM 0 HB THR A 53 -8.188 4.189 -7.792 1.00 63.04 H new ATOM 0 HG1 THR A 53 -7.044 5.887 -8.933 1.00 44.53 H new ATOM 0 HG21 THR A 53 -8.436 6.545 -7.103 1.00 3.11 H new ATOM 0 HG22 THR A 53 -8.513 5.441 -5.709 1.00 3.11 H new ATOM 0 HG23 THR A 53 -7.030 6.373 -6.026 1.00 3.11 H new ATOM 853 N SER A 54 -6.001 1.848 -7.970 1.00 23.10 N ATOM 854 CA SER A 54 -5.166 1.046 -8.857 1.00 11.34 C ATOM 855 C SER A 54 -4.668 1.879 -10.035 1.00 51.23 C ATOM 856 O SER A 54 -3.522 1.746 -10.461 1.00 13.12 O ATOM 857 CB SER A 54 -5.945 -0.166 -9.369 1.00 30.14 C ATOM 858 OG SER A 54 -6.215 -0.052 -10.755 1.00 14.43 O ATOM 0 H SER A 54 -6.935 1.470 -7.814 1.00 23.10 H new ATOM 0 HA SER A 54 -4.303 0.700 -8.288 1.00 11.34 H new ATOM 0 HB2 SER A 54 -5.374 -1.075 -9.180 1.00 30.14 H new ATOM 0 HB3 SER A 54 -6.882 -0.258 -8.820 1.00 30.14 H new ATOM 0 HG SER A 54 -6.712 -0.840 -11.057 1.00 14.43 H new ATOM 864 N GLU A 55 -5.539 2.738 -10.554 1.00 31.21 N ATOM 865 CA GLU A 55 -5.189 3.592 -11.683 1.00 13.43 C ATOM 866 C GLU A 55 -4.001 4.487 -11.340 1.00 45.20 C ATOM 867 O GLU A 55 -3.094 4.671 -12.150 1.00 1.20 O ATOM 868 CB GLU A 55 -6.388 4.450 -12.093 1.00 53.50 C ATOM 869 CG GLU A 55 -7.621 3.640 -12.453 1.00 42.21 C ATOM 870 CD GLU A 55 -7.502 2.963 -13.804 1.00 20.30 C ATOM 871 OE1 GLU A 55 -6.723 3.457 -14.647 1.00 25.53 O ATOM 872 OE2 GLU A 55 -8.185 1.940 -14.018 1.00 34.02 O ATOM 0 H GLU A 55 -6.492 2.861 -10.211 1.00 31.21 H new ATOM 0 HA GLU A 55 -4.909 2.950 -12.518 1.00 13.43 H new ATOM 0 HB2 GLU A 55 -6.635 5.128 -11.276 1.00 53.50 H new ATOM 0 HB3 GLU A 55 -6.107 5.067 -12.946 1.00 53.50 H new ATOM 0 HG2 GLU A 55 -7.791 2.884 -11.686 1.00 42.21 H new ATOM 0 HG3 GLU A 55 -8.493 4.294 -12.454 1.00 42.21 H new ATOM 879 N GLY A 56 -4.016 5.042 -10.131 1.00 3.30 N ATOM 880 CA GLY A 56 -2.937 5.913 -9.701 1.00 23.04 C ATOM 881 C GLY A 56 -1.578 5.254 -9.824 1.00 1.01 C ATOM 882 O GLY A 56 -0.622 5.872 -10.294 1.00 32.35 O ATOM 0 H GLY A 56 -4.756 4.904 -9.442 1.00 3.30 H new ATOM 0 HA2 GLY A 56 -2.951 6.825 -10.297 1.00 23.04 H new ATOM 0 HA3 GLY A 56 -3.102 6.207 -8.665 1.00 23.04 H new ATOM 886 N CYS A 57 -1.490 3.998 -9.400 1.00 63.32 N ATOM 887 CA CYS A 57 -0.237 3.255 -9.462 1.00 12.32 C ATOM 888 C CYS A 57 0.253 3.134 -10.902 1.00 11.21 C ATOM 889 O CYS A 57 1.441 3.293 -11.180 1.00 54.13 O ATOM 890 CB CYS A 57 -0.413 1.864 -8.852 1.00 40.43 C ATOM 891 SG CYS A 57 0.139 1.736 -7.135 1.00 42.15 S ATOM 0 H CYS A 57 -2.272 3.473 -9.009 1.00 63.32 H new ATOM 0 HA CYS A 57 0.510 3.803 -8.888 1.00 12.32 H new ATOM 0 HB2 CYS A 57 -1.466 1.586 -8.906 1.00 40.43 H new ATOM 0 HB3 CYS A 57 0.139 1.142 -9.455 1.00 40.43 H new ATOM 0 HG CYS A 57 0.921 0.705 -7.006 1.00 42.15 H new ATOM 897 N ARG A 58 -0.671 2.850 -11.814 1.00 2.10 N ATOM 898 CA ARG A 58 -0.333 2.705 -13.225 1.00 64.45 C ATOM 899 C ARG A 58 0.491 3.893 -13.711 1.00 74.43 C ATOM 900 O ARG A 58 1.338 3.752 -14.593 1.00 1.12 O ATOM 901 CB ARG A 58 -1.605 2.575 -14.065 1.00 43.43 C ATOM 902 CG ARG A 58 -1.603 1.372 -14.992 1.00 12.31 C ATOM 903 CD ARG A 58 -2.627 1.524 -16.107 1.00 54.54 C ATOM 904 NE ARG A 58 -2.290 0.715 -17.275 1.00 54.14 N ATOM 905 CZ ARG A 58 -3.017 0.689 -18.385 1.00 45.13 C ATOM 906 NH1 ARG A 58 -4.116 1.424 -18.479 1.00 42.40 N ATOM 907 NH2 ARG A 58 -2.646 -0.074 -19.406 1.00 42.03 N ATOM 0 H ARG A 58 -1.659 2.716 -11.601 1.00 2.10 H new ATOM 0 HA ARG A 58 0.264 1.800 -13.339 1.00 64.45 H new ATOM 0 HB2 ARG A 58 -2.465 2.508 -13.399 1.00 43.43 H new ATOM 0 HB3 ARG A 58 -1.732 3.480 -14.659 1.00 43.43 H new ATOM 0 HG2 ARG A 58 -0.610 1.246 -15.424 1.00 12.31 H new ATOM 0 HG3 ARG A 58 -1.819 0.470 -14.419 1.00 12.31 H new ATOM 0 HD2 ARG A 58 -3.611 1.234 -15.737 1.00 54.54 H new ATOM 0 HD3 ARG A 58 -2.692 2.572 -16.399 1.00 54.54 H new ATOM 0 HE ARG A 58 -1.450 0.138 -17.236 1.00 54.14 H new ATOM 0 HH11 ARG A 58 -4.405 2.012 -17.697 1.00 42.40 H new ATOM 0 HH12 ARG A 58 -4.673 1.402 -19.333 1.00 42.40 H new ATOM 0 HH21 ARG A 58 -1.801 -0.641 -19.338 1.00 42.03 H new ATOM 0 HH22 ARG A 58 -3.206 -0.093 -20.258 1.00 42.03 H new ATOM 921 N GLN A 59 0.238 5.061 -13.129 1.00 21.24 N ATOM 922 CA GLN A 59 0.957 6.272 -13.506 1.00 1.31 C ATOM 923 C GLN A 59 2.274 6.383 -12.743 1.00 24.31 C ATOM 924 O GLN A 59 3.258 6.913 -13.260 1.00 43.44 O ATOM 925 CB GLN A 59 0.094 7.506 -13.238 1.00 44.02 C ATOM 926 CG GLN A 59 0.693 8.796 -13.776 1.00 1.32 C ATOM 927 CD GLN A 59 -0.362 9.780 -14.242 1.00 62.33 C ATOM 928 OE1 GLN A 59 -1.050 9.546 -15.235 1.00 24.30 O ATOM 929 NE2 GLN A 59 -0.495 10.889 -13.524 1.00 62.04 N ATOM 0 H GLN A 59 -0.458 5.194 -12.396 1.00 21.24 H new ATOM 0 HA GLN A 59 1.179 6.216 -14.572 1.00 1.31 H new ATOM 0 HB2 GLN A 59 -0.888 7.357 -13.686 1.00 44.02 H new ATOM 0 HB3 GLN A 59 -0.058 7.606 -12.163 1.00 44.02 H new ATOM 0 HG2 GLN A 59 1.301 9.261 -13.000 1.00 1.32 H new ATOM 0 HG3 GLN A 59 1.360 8.564 -14.606 1.00 1.32 H new ATOM 0 HE21 GLN A 59 0.097 11.042 -12.708 1.00 62.04 H new ATOM 0 HE22 GLN A 59 -1.189 11.588 -13.789 1.00 62.04 H new ATOM 938 N ILE A 60 2.283 5.879 -11.514 1.00 34.23 N ATOM 939 CA ILE A 60 3.479 5.920 -10.681 1.00 11.42 C ATOM 940 C ILE A 60 4.523 4.920 -11.167 1.00 13.32 C ATOM 941 O ILE A 60 5.642 5.295 -11.519 1.00 2.32 O ATOM 942 CB ILE A 60 3.149 5.625 -9.207 1.00 52.02 C ATOM 943 CG1 ILE A 60 2.140 6.644 -8.673 1.00 41.53 C ATOM 944 CG2 ILE A 60 4.418 5.638 -8.367 1.00 3.04 C ATOM 945 CD1 ILE A 60 1.512 6.241 -7.357 1.00 32.24 C ATOM 0 H ILE A 60 1.476 5.438 -11.073 1.00 34.23 H new ATOM 0 HA ILE A 60 3.883 6.929 -10.759 1.00 11.42 H new ATOM 0 HB ILE A 60 2.703 4.632 -9.142 1.00 52.02 H new ATOM 0 HG12 ILE A 60 2.638 7.606 -8.549 1.00 41.53 H new ATOM 0 HG13 ILE A 60 1.353 6.786 -9.413 1.00 41.53 H new ATOM 0 HG21 ILE A 60 4.168 5.428 -7.327 1.00 3.04 H new ATOM 0 HG22 ILE A 60 5.106 4.877 -8.736 1.00 3.04 H new ATOM 0 HG23 ILE A 60 4.890 6.618 -8.436 1.00 3.04 H new ATOM 0 HD11 ILE A 60 0.808 7.010 -7.039 1.00 32.24 H new ATOM 0 HD12 ILE A 60 0.985 5.295 -7.480 1.00 32.24 H new ATOM 0 HD13 ILE A 60 2.290 6.127 -6.602 1.00 32.24 H new ATOM 957 N LEU A 61 4.149 3.646 -11.187 1.00 3.11 N ATOM 958 CA LEU A 61 5.052 2.590 -11.632 1.00 5.04 C ATOM 959 C LEU A 61 5.670 2.936 -12.982 1.00 10.41 C ATOM 960 O LEU A 61 6.819 2.592 -13.256 1.00 1.54 O ATOM 961 CB LEU A 61 4.303 1.260 -11.727 1.00 31.31 C ATOM 962 CG LEU A 61 3.828 0.661 -10.402 1.00 3.14 C ATOM 963 CD1 LEU A 61 2.641 -0.263 -10.630 1.00 20.23 C ATOM 964 CD2 LEU A 61 4.962 -0.085 -9.716 1.00 51.51 C ATOM 0 H LEU A 61 3.226 3.319 -10.900 1.00 3.11 H new ATOM 0 HA LEU A 61 5.854 2.498 -10.899 1.00 5.04 H new ATOM 0 HB2 LEU A 61 3.435 1.400 -12.371 1.00 31.31 H new ATOM 0 HB3 LEU A 61 4.952 0.535 -12.219 1.00 31.31 H new ATOM 0 HG LEU A 61 3.510 1.475 -9.751 1.00 3.14 H new ATOM 0 HD11 LEU A 61 2.316 -0.680 -9.677 1.00 20.23 H new ATOM 0 HD12 LEU A 61 1.822 0.300 -11.077 1.00 20.23 H new ATOM 0 HD13 LEU A 61 2.933 -1.072 -11.299 1.00 20.23 H new ATOM 0 HD21 LEU A 61 4.605 -0.504 -8.775 1.00 51.51 H new ATOM 0 HD22 LEU A 61 5.311 -0.890 -10.362 1.00 51.51 H new ATOM 0 HD23 LEU A 61 5.783 0.604 -9.518 1.00 51.51 H new ATOM 976 N GLY A 62 4.900 3.621 -13.823 1.00 50.21 N ATOM 977 CA GLY A 62 5.391 4.005 -15.134 1.00 63.45 C ATOM 978 C GLY A 62 6.468 5.068 -15.061 1.00 14.32 C ATOM 979 O GLY A 62 7.386 5.086 -15.881 1.00 52.45 O ATOM 0 H GLY A 62 3.945 3.917 -13.620 1.00 50.21 H new ATOM 0 HA2 GLY A 62 5.787 3.126 -15.642 1.00 63.45 H new ATOM 0 HA3 GLY A 62 4.561 4.374 -15.736 1.00 63.45 H new ATOM 983 N GLN A 63 6.355 5.958 -14.080 1.00 33.40 N ATOM 984 CA GLN A 63 7.327 7.031 -13.906 1.00 31.32 C ATOM 985 C GLN A 63 8.641 6.490 -13.350 1.00 4.32 C ATOM 986 O GLN A 63 9.720 6.836 -13.834 1.00 71.14 O ATOM 987 CB GLN A 63 6.768 8.107 -12.974 1.00 73.21 C ATOM 988 CG GLN A 63 6.434 9.411 -13.680 1.00 74.32 C ATOM 989 CD GLN A 63 7.585 10.397 -13.660 1.00 40.00 C ATOM 990 OE1 GLN A 63 8.327 10.523 -14.634 1.00 11.23 O ATOM 991 NE2 GLN A 63 7.739 11.104 -12.546 1.00 32.41 N ATOM 0 H GLN A 63 5.600 5.957 -13.394 1.00 33.40 H new ATOM 0 HA GLN A 63 7.522 7.473 -14.883 1.00 31.32 H new ATOM 0 HB2 GLN A 63 5.869 7.725 -12.490 1.00 73.21 H new ATOM 0 HB3 GLN A 63 7.494 8.306 -12.186 1.00 73.21 H new ATOM 0 HG2 GLN A 63 6.159 9.200 -14.714 1.00 74.32 H new ATOM 0 HG3 GLN A 63 5.564 9.864 -13.205 1.00 74.32 H new ATOM 0 HE21 GLN A 63 7.100 10.967 -11.763 1.00 32.41 H new ATOM 0 HE22 GLN A 63 8.496 11.784 -12.474 1.00 32.41 H new ATOM 1000 N LEU A 64 8.542 5.642 -12.333 1.00 64.14 N ATOM 1001 CA LEU A 64 9.723 5.054 -11.711 1.00 40.14 C ATOM 1002 C LEU A 64 10.269 3.906 -12.553 1.00 23.21 C ATOM 1003 O LEU A 64 11.425 3.512 -12.407 1.00 33.41 O ATOM 1004 CB LEU A 64 9.387 4.554 -10.304 1.00 4.13 C ATOM 1005 CG LEU A 64 8.716 5.567 -9.375 1.00 23.40 C ATOM 1006 CD1 LEU A 64 8.199 4.879 -8.121 1.00 74.14 C ATOM 1007 CD2 LEU A 64 9.685 6.683 -9.012 1.00 31.34 C ATOM 0 H LEU A 64 7.657 5.346 -11.922 1.00 64.14 H new ATOM 0 HA LEU A 64 10.489 5.826 -11.643 1.00 40.14 H new ATOM 0 HB2 LEU A 64 8.734 3.686 -10.395 1.00 4.13 H new ATOM 0 HB3 LEU A 64 10.308 4.212 -9.832 1.00 4.13 H new ATOM 0 HG LEU A 64 7.868 6.007 -9.900 1.00 23.40 H new ATOM 0 HD11 LEU A 64 7.725 5.615 -7.472 1.00 74.14 H new ATOM 0 HD12 LEU A 64 7.471 4.117 -8.398 1.00 74.14 H new ATOM 0 HD13 LEU A 64 9.030 4.412 -7.593 1.00 74.14 H new ATOM 0 HD21 LEU A 64 9.190 7.394 -8.351 1.00 31.34 H new ATOM 0 HD22 LEU A 64 10.553 6.261 -8.506 1.00 31.34 H new ATOM 0 HD23 LEU A 64 10.007 7.195 -9.919 1.00 31.34 H new ATOM 1019 N GLN A 65 9.428 3.376 -13.436 1.00 14.25 N ATOM 1020 CA GLN A 65 9.827 2.274 -14.304 1.00 14.11 C ATOM 1021 C GLN A 65 11.140 2.588 -15.014 1.00 5.55 C ATOM 1022 O GLN A 65 12.139 1.886 -14.865 1.00 72.31 O ATOM 1023 CB GLN A 65 8.732 1.985 -15.332 1.00 35.02 C ATOM 1024 CG GLN A 65 9.257 1.380 -16.625 1.00 5.30 C ATOM 1025 CD GLN A 65 10.111 0.150 -16.390 1.00 63.43 C ATOM 1026 OE1 GLN A 65 11.254 0.077 -16.841 1.00 21.04 O ATOM 1027 NE2 GLN A 65 9.560 -0.826 -15.677 1.00 23.33 N ATOM 0 H GLN A 65 8.467 3.692 -13.569 1.00 14.25 H new ATOM 0 HA GLN A 65 9.974 1.390 -13.683 1.00 14.11 H new ATOM 0 HB2 GLN A 65 8.002 1.305 -14.892 1.00 35.02 H new ATOM 0 HB3 GLN A 65 8.206 2.912 -15.561 1.00 35.02 H new ATOM 0 HG2 GLN A 65 8.416 1.116 -17.266 1.00 5.30 H new ATOM 0 HG3 GLN A 65 9.843 2.128 -17.160 1.00 5.30 H new ATOM 0 HE21 GLN A 65 8.609 -0.724 -15.322 1.00 23.33 H new ATOM 0 HE22 GLN A 65 10.088 -1.677 -15.484 1.00 23.33 H new ATOM 1036 N PRO A 66 11.138 3.670 -15.808 1.00 13.22 N ATOM 1037 CA PRO A 66 12.322 4.102 -16.558 1.00 23.13 C ATOM 1038 C PRO A 66 13.417 4.649 -15.648 1.00 4.23 C ATOM 1039 O PRO A 66 14.495 5.018 -16.113 1.00 51.00 O ATOM 1040 CB PRO A 66 11.780 5.208 -17.468 1.00 34.43 C ATOM 1041 CG PRO A 66 10.580 5.730 -16.757 1.00 60.10 C ATOM 1042 CD PRO A 66 9.982 4.554 -16.034 1.00 75.22 C ATOM 0 HA PRO A 66 12.787 3.277 -17.097 1.00 23.13 H new ATOM 0 HB2 PRO A 66 12.521 5.992 -17.622 1.00 34.43 H new ATOM 0 HB3 PRO A 66 11.519 4.818 -18.452 1.00 34.43 H new ATOM 0 HG2 PRO A 66 10.854 6.520 -16.058 1.00 60.10 H new ATOM 0 HG3 PRO A 66 9.866 6.160 -17.460 1.00 60.10 H new ATOM 0 HD2 PRO A 66 9.516 4.854 -15.096 1.00 75.22 H new ATOM 0 HD3 PRO A 66 9.212 4.064 -16.630 1.00 75.22 H new ATOM 1050 N SER A 67 13.132 4.700 -14.351 1.00 64.31 N ATOM 1051 CA SER A 67 14.091 5.205 -13.376 1.00 1.25 C ATOM 1052 C SER A 67 14.779 4.056 -12.645 1.00 14.52 C ATOM 1053 O SER A 67 15.757 4.261 -11.925 1.00 33.03 O ATOM 1054 CB SER A 67 13.393 6.120 -12.369 1.00 12.34 C ATOM 1055 OG SER A 67 13.170 7.407 -12.919 1.00 43.40 O ATOM 0 H SER A 67 12.244 4.397 -13.951 1.00 64.31 H new ATOM 0 HA SER A 67 14.849 5.777 -13.911 1.00 1.25 H new ATOM 0 HB2 SER A 67 12.442 5.679 -12.070 1.00 12.34 H new ATOM 0 HB3 SER A 67 14.001 6.206 -11.469 1.00 12.34 H new ATOM 0 HG SER A 67 12.721 7.973 -12.256 1.00 43.40 H new ATOM 1061 N LEU A 68 14.262 2.847 -12.836 1.00 11.43 N ATOM 1062 CA LEU A 68 14.825 1.665 -12.195 1.00 22.43 C ATOM 1063 C LEU A 68 16.337 1.606 -12.393 1.00 24.23 C ATOM 1064 O LEU A 68 17.053 1.007 -11.591 1.00 20.04 O ATOM 1065 CB LEU A 68 14.176 0.398 -12.757 1.00 14.32 C ATOM 1066 CG LEU A 68 12.760 0.095 -12.265 1.00 75.54 C ATOM 1067 CD1 LEU A 68 12.237 -1.184 -12.901 1.00 2.33 C ATOM 1068 CD2 LEU A 68 12.736 -0.014 -10.747 1.00 11.50 C ATOM 0 H LEU A 68 13.454 2.660 -13.430 1.00 11.43 H new ATOM 0 HA LEU A 68 14.619 1.728 -11.127 1.00 22.43 H new ATOM 0 HB2 LEU A 68 14.152 0.477 -13.844 1.00 14.32 H new ATOM 0 HB3 LEU A 68 14.814 -0.452 -12.513 1.00 14.32 H new ATOM 0 HG LEU A 68 12.108 0.917 -12.561 1.00 75.54 H new ATOM 0 HD11 LEU A 68 11.228 -1.384 -12.539 1.00 2.33 H new ATOM 0 HD12 LEU A 68 12.218 -1.070 -13.985 1.00 2.33 H new ATOM 0 HD13 LEU A 68 12.889 -2.016 -12.635 1.00 2.33 H new ATOM 0 HD21 LEU A 68 11.721 -0.230 -10.414 1.00 11.50 H new ATOM 0 HD22 LEU A 68 13.401 -0.817 -10.429 1.00 11.50 H new ATOM 0 HD23 LEU A 68 13.069 0.927 -10.309 1.00 11.50 H new ATOM 1080 N GLN A 69 16.813 2.231 -13.464 1.00 4.52 N ATOM 1081 CA GLN A 69 18.239 2.251 -13.766 1.00 51.44 C ATOM 1082 C GLN A 69 18.891 3.524 -13.233 1.00 23.11 C ATOM 1083 O GLN A 69 20.016 3.496 -12.733 1.00 1.55 O ATOM 1084 CB GLN A 69 18.464 2.141 -15.274 1.00 14.32 C ATOM 1085 CG GLN A 69 19.864 1.681 -15.649 1.00 55.42 C ATOM 1086 CD GLN A 69 19.908 0.976 -16.990 1.00 21.53 C ATOM 1087 OE1 GLN A 69 20.610 1.403 -17.906 1.00 4.42 O ATOM 1088 NE2 GLN A 69 19.155 -0.111 -17.112 1.00 61.23 N ATOM 0 H GLN A 69 16.232 2.730 -14.137 1.00 4.52 H new ATOM 0 HA GLN A 69 18.701 1.395 -13.274 1.00 51.44 H new ATOM 0 HB2 GLN A 69 17.738 1.444 -15.691 1.00 14.32 H new ATOM 0 HB3 GLN A 69 18.274 3.111 -15.733 1.00 14.32 H new ATOM 0 HG2 GLN A 69 20.531 2.543 -15.674 1.00 55.42 H new ATOM 0 HG3 GLN A 69 20.240 1.009 -14.877 1.00 55.42 H new ATOM 0 HE21 GLN A 69 18.588 -0.430 -16.326 1.00 61.23 H new ATOM 0 HE22 GLN A 69 19.144 -0.627 -17.992 1.00 61.23 H new ATOM 1097 N THR A 70 18.176 4.640 -13.345 1.00 70.44 N ATOM 1098 CA THR A 70 18.685 5.922 -12.876 1.00 42.13 C ATOM 1099 C THR A 70 18.307 6.165 -11.419 1.00 22.11 C ATOM 1100 O THR A 70 17.941 7.277 -11.040 1.00 64.03 O ATOM 1101 CB THR A 70 18.151 7.085 -13.733 1.00 12.42 C ATOM 1102 OG1 THR A 70 17.842 6.620 -15.052 1.00 50.22 O ATOM 1103 CG2 THR A 70 19.171 8.211 -13.814 1.00 52.43 C ATOM 0 H THR A 70 17.243 4.681 -13.756 1.00 70.44 H new ATOM 0 HA THR A 70 19.771 5.882 -12.965 1.00 42.13 H new ATOM 0 HB THR A 70 17.246 7.469 -13.261 1.00 12.42 H new ATOM 0 HG1 THR A 70 17.501 7.365 -15.590 1.00 50.22 H new ATOM 0 HG21 THR A 70 18.771 9.021 -14.424 1.00 52.43 H new ATOM 0 HG22 THR A 70 19.383 8.583 -12.812 1.00 52.43 H new ATOM 0 HG23 THR A 70 20.091 7.837 -14.264 1.00 52.43 H new ATOM 1111 N GLY A 71 18.400 5.117 -10.606 1.00 44.42 N ATOM 1112 CA GLY A 71 18.063 5.239 -9.199 1.00 35.42 C ATOM 1113 C GLY A 71 18.711 4.159 -8.354 1.00 70.11 C ATOM 1114 O GLY A 71 18.923 3.039 -8.821 1.00 15.52 O ATOM 0 H GLY A 71 18.702 4.187 -10.896 1.00 44.42 H new ATOM 0 HA2 GLY A 71 18.377 6.218 -8.836 1.00 35.42 H new ATOM 0 HA3 GLY A 71 16.981 5.188 -9.082 1.00 35.42 H new ATOM 1118 N SER A 72 19.026 4.495 -7.107 1.00 30.53 N ATOM 1119 CA SER A 72 19.658 3.547 -6.196 1.00 4.23 C ATOM 1120 C SER A 72 18.622 2.608 -5.585 1.00 34.34 C ATOM 1121 O SER A 72 17.498 2.505 -6.075 1.00 22.21 O ATOM 1122 CB SER A 72 20.404 4.292 -5.088 1.00 43.41 C ATOM 1123 OG SER A 72 19.525 4.657 -4.038 1.00 72.24 O ATOM 0 H SER A 72 18.854 5.416 -6.704 1.00 30.53 H new ATOM 0 HA SER A 72 20.371 2.952 -6.767 1.00 4.23 H new ATOM 0 HB2 SER A 72 21.202 3.662 -4.696 1.00 43.41 H new ATOM 0 HB3 SER A 72 20.875 5.185 -5.499 1.00 43.41 H new ATOM 0 HG SER A 72 20.026 5.130 -3.341 1.00 72.24 H new ATOM 1129 N GLU A 73 19.011 1.926 -4.512 1.00 4.44 N ATOM 1130 CA GLU A 73 18.117 0.994 -3.835 1.00 3.25 C ATOM 1131 C GLU A 73 16.877 1.714 -3.312 1.00 51.04 C ATOM 1132 O GLU A 73 15.878 1.081 -2.971 1.00 72.22 O ATOM 1133 CB GLU A 73 18.844 0.303 -2.681 1.00 73.22 C ATOM 1134 CG GLU A 73 19.488 1.270 -1.700 1.00 12.12 C ATOM 1135 CD GLU A 73 20.125 0.565 -0.519 1.00 72.25 C ATOM 1136 OE1 GLU A 73 20.734 -0.505 -0.726 1.00 53.25 O ATOM 1137 OE2 GLU A 73 20.013 1.083 0.612 1.00 32.40 O ATOM 0 H GLU A 73 19.938 2.001 -4.093 1.00 4.44 H new ATOM 0 HA GLU A 73 17.802 0.242 -4.558 1.00 3.25 H new ATOM 0 HB2 GLU A 73 18.137 -0.329 -2.144 1.00 73.22 H new ATOM 0 HB3 GLU A 73 19.613 -0.354 -3.088 1.00 73.22 H new ATOM 0 HG2 GLU A 73 20.245 1.858 -2.219 1.00 12.12 H new ATOM 0 HG3 GLU A 73 18.735 1.969 -1.338 1.00 12.12 H new ATOM 1144 N GLU A 74 16.951 3.039 -3.251 1.00 43.41 N ATOM 1145 CA GLU A 74 15.835 3.845 -2.768 1.00 42.15 C ATOM 1146 C GLU A 74 14.658 3.781 -3.737 1.00 71.35 C ATOM 1147 O GLU A 74 13.501 3.922 -3.336 1.00 33.32 O ATOM 1148 CB GLU A 74 16.272 5.298 -2.573 1.00 41.40 C ATOM 1149 CG GLU A 74 15.615 5.978 -1.385 1.00 51.04 C ATOM 1150 CD GLU A 74 16.622 6.479 -0.368 1.00 13.23 C ATOM 1151 OE1 GLU A 74 17.206 5.642 0.351 1.00 33.31 O ATOM 1152 OE2 GLU A 74 16.827 7.709 -0.292 1.00 55.21 O ATOM 0 H GLU A 74 17.771 3.578 -3.530 1.00 43.41 H new ATOM 0 HA GLU A 74 15.515 3.438 -1.808 1.00 42.15 H new ATOM 0 HB2 GLU A 74 17.354 5.329 -2.445 1.00 41.40 H new ATOM 0 HB3 GLU A 74 16.041 5.862 -3.477 1.00 41.40 H new ATOM 0 HG2 GLU A 74 15.013 6.816 -1.738 1.00 51.04 H new ATOM 0 HG3 GLU A 74 14.934 5.278 -0.901 1.00 51.04 H new ATOM 1159 N LEU A 75 14.961 3.569 -5.013 1.00 64.03 N ATOM 1160 CA LEU A 75 13.929 3.487 -6.040 1.00 42.22 C ATOM 1161 C LEU A 75 13.472 2.046 -6.240 1.00 32.21 C ATOM 1162 O LEU A 75 12.383 1.795 -6.756 1.00 74.14 O ATOM 1163 CB LEU A 75 14.451 4.057 -7.361 1.00 63.43 C ATOM 1164 CG LEU A 75 13.392 4.393 -8.411 1.00 4.23 C ATOM 1165 CD1 LEU A 75 13.267 5.900 -8.579 1.00 35.31 C ATOM 1166 CD2 LEU A 75 13.729 3.733 -9.740 1.00 74.22 C ATOM 0 H LEU A 75 15.913 3.451 -5.361 1.00 64.03 H new ATOM 0 HA LEU A 75 13.074 4.076 -5.709 1.00 42.22 H new ATOM 0 HB2 LEU A 75 15.019 4.962 -7.144 1.00 63.43 H new ATOM 0 HB3 LEU A 75 15.148 3.339 -7.793 1.00 63.43 H new ATOM 0 HG LEU A 75 12.433 4.005 -8.069 1.00 4.23 H new ATOM 0 HD11 LEU A 75 12.509 6.121 -9.330 1.00 35.31 H new ATOM 0 HD12 LEU A 75 12.978 6.349 -7.629 1.00 35.31 H new ATOM 0 HD13 LEU A 75 14.225 6.311 -8.898 1.00 35.31 H new ATOM 0 HD21 LEU A 75 12.964 3.983 -10.475 1.00 74.22 H new ATOM 0 HD22 LEU A 75 14.698 4.091 -10.088 1.00 74.22 H new ATOM 0 HD23 LEU A 75 13.767 2.651 -9.610 1.00 74.22 H new ATOM 1178 N ARG A 76 14.311 1.102 -5.826 1.00 54.05 N ATOM 1179 CA ARG A 76 13.993 -0.315 -5.958 1.00 53.13 C ATOM 1180 C ARG A 76 12.912 -0.724 -4.962 1.00 51.15 C ATOM 1181 O ARG A 76 11.938 -1.384 -5.325 1.00 62.12 O ATOM 1182 CB ARG A 76 15.248 -1.163 -5.741 1.00 1.10 C ATOM 1183 CG ARG A 76 15.599 -2.044 -6.929 1.00 14.44 C ATOM 1184 CD ARG A 76 17.100 -2.265 -7.033 1.00 12.14 C ATOM 1185 NE ARG A 76 17.733 -1.310 -7.940 1.00 2.35 N ATOM 1186 CZ ARG A 76 18.922 -1.504 -8.500 1.00 24.31 C ATOM 1187 NH1 ARG A 76 19.602 -2.614 -8.249 1.00 11.40 N ATOM 1188 NH2 ARG A 76 19.431 -0.588 -9.314 1.00 23.22 N ATOM 0 H ARG A 76 15.216 1.293 -5.396 1.00 54.05 H new ATOM 0 HA ARG A 76 13.617 -0.485 -6.967 1.00 53.13 H new ATOM 0 HB2 ARG A 76 16.089 -0.504 -5.527 1.00 1.10 H new ATOM 0 HB3 ARG A 76 15.104 -1.792 -4.863 1.00 1.10 H new ATOM 0 HG2 ARG A 76 15.094 -3.005 -6.833 1.00 14.44 H new ATOM 0 HG3 ARG A 76 15.233 -1.583 -7.846 1.00 14.44 H new ATOM 0 HD2 ARG A 76 17.549 -2.177 -6.044 1.00 12.14 H new ATOM 0 HD3 ARG A 76 17.294 -3.279 -7.382 1.00 12.14 H new ATOM 0 HE ARG A 76 17.234 -0.447 -8.155 1.00 2.35 H new ATOM 0 HH11 ARG A 76 19.212 -3.321 -7.625 1.00 11.40 H new ATOM 0 HH12 ARG A 76 20.515 -2.761 -8.680 1.00 11.40 H new ATOM 0 HH21 ARG A 76 18.909 0.266 -9.510 1.00 23.22 H new ATOM 0 HH22 ARG A 76 20.344 -0.738 -9.743 1.00 23.22 H new ATOM 1202 N SER A 77 13.091 -0.329 -3.705 1.00 24.33 N ATOM 1203 CA SER A 77 12.133 -0.658 -2.656 1.00 23.43 C ATOM 1204 C SER A 77 10.781 -0.007 -2.932 1.00 42.11 C ATOM 1205 O SER A 77 9.757 -0.420 -2.385 1.00 32.55 O ATOM 1206 CB SER A 77 12.661 -0.207 -1.293 1.00 31.45 C ATOM 1207 OG SER A 77 13.565 -1.158 -0.757 1.00 52.10 O ATOM 0 H SER A 77 13.891 0.219 -3.389 1.00 24.33 H new ATOM 0 HA SER A 77 12.000 -1.740 -2.645 1.00 23.43 H new ATOM 0 HB2 SER A 77 13.159 0.757 -1.393 1.00 31.45 H new ATOM 0 HB3 SER A 77 11.827 -0.065 -0.605 1.00 31.45 H new ATOM 0 HG SER A 77 13.890 -0.846 0.113 1.00 52.10 H new ATOM 1213 N LEU A 78 10.785 1.014 -3.782 1.00 62.43 N ATOM 1214 CA LEU A 78 9.560 1.724 -4.130 1.00 11.43 C ATOM 1215 C LEU A 78 8.808 0.999 -5.241 1.00 44.12 C ATOM 1216 O LEU A 78 7.726 0.455 -5.019 1.00 24.31 O ATOM 1217 CB LEU A 78 9.882 3.154 -4.567 1.00 73.13 C ATOM 1218 CG LEU A 78 9.240 4.269 -3.741 1.00 13.24 C ATOM 1219 CD1 LEU A 78 9.521 4.067 -2.260 1.00 31.50 C ATOM 1220 CD2 LEU A 78 9.743 5.630 -4.200 1.00 54.54 C ATOM 0 H LEU A 78 11.623 1.368 -4.243 1.00 62.43 H new ATOM 0 HA LEU A 78 8.924 1.755 -3.245 1.00 11.43 H new ATOM 0 HB2 LEU A 78 10.964 3.286 -4.540 1.00 73.13 H new ATOM 0 HB3 LEU A 78 9.572 3.274 -5.605 1.00 73.13 H new ATOM 0 HG LEU A 78 8.161 4.232 -3.893 1.00 13.24 H new ATOM 0 HD11 LEU A 78 9.056 4.870 -1.689 1.00 31.50 H new ATOM 0 HD12 LEU A 78 9.111 3.109 -1.939 1.00 31.50 H new ATOM 0 HD13 LEU A 78 10.598 4.076 -2.089 1.00 31.50 H new ATOM 0 HD21 LEU A 78 9.276 6.412 -3.601 1.00 54.54 H new ATOM 0 HD22 LEU A 78 10.825 5.678 -4.078 1.00 54.54 H new ATOM 0 HD23 LEU A 78 9.489 5.777 -5.250 1.00 54.54 H new ATOM 1232 N TYR A 79 9.388 0.994 -6.436 1.00 22.33 N ATOM 1233 CA TYR A 79 8.773 0.335 -7.581 1.00 4.34 C ATOM 1234 C TYR A 79 8.298 -1.067 -7.214 1.00 20.45 C ATOM 1235 O TYR A 79 7.187 -1.469 -7.557 1.00 51.02 O ATOM 1236 CB TYR A 79 9.761 0.262 -8.746 1.00 35.14 C ATOM 1237 CG TYR A 79 9.173 -0.337 -10.004 1.00 52.31 C ATOM 1238 CD1 TYR A 79 8.299 0.393 -10.801 1.00 10.33 C ATOM 1239 CD2 TYR A 79 9.489 -1.631 -10.394 1.00 31.32 C ATOM 1240 CE1 TYR A 79 7.758 -0.150 -11.950 1.00 22.15 C ATOM 1241 CE2 TYR A 79 8.955 -2.182 -11.543 1.00 61.24 C ATOM 1242 CZ TYR A 79 8.090 -1.438 -12.318 1.00 64.04 C ATOM 1243 OH TYR A 79 7.553 -1.983 -13.461 1.00 10.13 O ATOM 0 H TYR A 79 10.284 1.439 -6.637 1.00 22.33 H new ATOM 0 HA TYR A 79 7.907 0.924 -7.884 1.00 4.34 H new ATOM 0 HB2 TYR A 79 10.123 1.266 -8.967 1.00 35.14 H new ATOM 0 HB3 TYR A 79 10.625 -0.329 -8.442 1.00 35.14 H new ATOM 0 HD1 TYR A 79 8.039 1.402 -10.517 1.00 10.33 H new ATOM 0 HD2 TYR A 79 10.164 -2.218 -9.789 1.00 31.32 H new ATOM 0 HE1 TYR A 79 7.079 0.430 -12.557 1.00 22.15 H new ATOM 0 HE2 TYR A 79 9.213 -3.190 -11.833 1.00 61.24 H new ATOM 0 HH TYR A 79 7.889 -2.896 -13.577 1.00 10.13 H new ATOM 1253 N ASN A 80 9.151 -1.808 -6.513 1.00 24.20 N ATOM 1254 CA ASN A 80 8.820 -3.166 -6.098 1.00 62.54 C ATOM 1255 C ASN A 80 7.511 -3.193 -5.317 1.00 65.52 C ATOM 1256 O ASN A 80 6.521 -3.779 -5.760 1.00 13.11 O ATOM 1257 CB ASN A 80 9.948 -3.749 -5.244 1.00 72.42 C ATOM 1258 CG ASN A 80 11.134 -4.194 -6.078 1.00 53.04 C ATOM 1259 OD1 ASN A 80 11.521 -3.523 -7.034 1.00 0.04 O ATOM 1260 ND2 ASN A 80 11.718 -5.332 -5.717 1.00 1.35 N ATOM 0 H ASN A 80 10.075 -1.491 -6.221 1.00 24.20 H new ATOM 0 HA ASN A 80 8.700 -3.774 -6.995 1.00 62.54 H new ATOM 0 HB2 ASN A 80 10.276 -3.002 -4.521 1.00 72.42 H new ATOM 0 HB3 ASN A 80 9.568 -4.598 -4.676 1.00 72.42 H new ATOM 0 HD21 ASN A 80 12.521 -5.681 -6.240 1.00 1.35 H new ATOM 0 HD22 ASN A 80 11.363 -5.856 -4.917 1.00 1.35 H new ATOM 1267 N THR A 81 7.509 -2.554 -4.151 1.00 72.23 N ATOM 1268 CA THR A 81 6.322 -2.504 -3.307 1.00 33.53 C ATOM 1269 C THR A 81 5.130 -1.936 -4.069 1.00 53.33 C ATOM 1270 O THR A 81 4.072 -2.561 -4.142 1.00 53.33 O ATOM 1271 CB THR A 81 6.564 -1.656 -2.046 1.00 43.51 C ATOM 1272 OG1 THR A 81 7.611 -2.234 -1.258 1.00 10.12 O ATOM 1273 CG2 THR A 81 5.296 -1.549 -1.212 1.00 3.24 C ATOM 0 H THR A 81 8.318 -2.063 -3.770 1.00 72.23 H new ATOM 0 HA THR A 81 6.103 -3.529 -3.008 1.00 33.53 H new ATOM 0 HB THR A 81 6.858 -0.655 -2.362 1.00 43.51 H new ATOM 0 HG1 THR A 81 8.458 -1.785 -1.460 1.00 10.12 H new ATOM 0 HG21 THR A 81 5.493 -0.945 -0.326 1.00 3.24 H new ATOM 0 HG22 THR A 81 4.510 -1.080 -1.804 1.00 3.24 H new ATOM 0 HG23 THR A 81 4.976 -2.545 -0.908 1.00 3.24 H new ATOM 1281 N ILE A 82 5.309 -0.746 -4.634 1.00 70.43 N ATOM 1282 CA ILE A 82 4.248 -0.094 -5.392 1.00 70.34 C ATOM 1283 C ILE A 82 3.568 -1.075 -6.341 1.00 50.53 C ATOM 1284 O ILE A 82 2.359 -1.005 -6.561 1.00 64.41 O ATOM 1285 CB ILE A 82 4.787 1.099 -6.203 1.00 31.11 C ATOM 1286 CG1 ILE A 82 5.392 2.148 -5.267 1.00 34.41 C ATOM 1287 CG2 ILE A 82 3.678 1.710 -7.046 1.00 41.04 C ATOM 1288 CD1 ILE A 82 6.456 3.000 -5.923 1.00 73.42 C ATOM 0 H ILE A 82 6.178 -0.214 -4.581 1.00 70.43 H new ATOM 0 HA ILE A 82 3.520 0.270 -4.667 1.00 70.34 H new ATOM 0 HB ILE A 82 5.570 0.741 -6.872 1.00 31.11 H new ATOM 0 HG12 ILE A 82 4.597 2.795 -4.897 1.00 34.41 H new ATOM 0 HG13 ILE A 82 5.823 1.645 -4.401 1.00 34.41 H new ATOM 0 HG21 ILE A 82 4.074 2.552 -7.614 1.00 41.04 H new ATOM 0 HG22 ILE A 82 3.289 0.960 -7.734 1.00 41.04 H new ATOM 0 HG23 ILE A 82 2.875 2.057 -6.395 1.00 41.04 H new ATOM 0 HD11 ILE A 82 6.840 3.721 -5.202 1.00 73.42 H new ATOM 0 HD12 ILE A 82 7.270 2.363 -6.269 1.00 73.42 H new ATOM 0 HD13 ILE A 82 6.025 3.531 -6.772 1.00 73.42 H new ATOM 1300 N ALA A 83 4.353 -1.989 -6.901 1.00 41.21 N ATOM 1301 CA ALA A 83 3.826 -2.986 -7.824 1.00 75.24 C ATOM 1302 C ALA A 83 2.839 -3.914 -7.125 1.00 41.20 C ATOM 1303 O ALA A 83 1.783 -4.236 -7.669 1.00 25.23 O ATOM 1304 CB ALA A 83 4.964 -3.789 -8.438 1.00 64.42 C ATOM 0 H ALA A 83 5.356 -2.060 -6.732 1.00 41.21 H new ATOM 0 HA ALA A 83 3.293 -2.464 -8.619 1.00 75.24 H new ATOM 0 HB1 ALA A 83 4.557 -4.530 -9.126 1.00 64.42 H new ATOM 0 HB2 ALA A 83 5.631 -3.119 -8.980 1.00 64.42 H new ATOM 0 HB3 ALA A 83 5.521 -4.294 -7.648 1.00 64.42 H new ATOM 1310 N VAL A 84 3.188 -4.341 -5.916 1.00 53.14 N ATOM 1311 CA VAL A 84 2.332 -5.231 -5.142 1.00 22.41 C ATOM 1312 C VAL A 84 0.944 -4.629 -4.949 1.00 55.54 C ATOM 1313 O VAL A 84 -0.066 -5.327 -5.043 1.00 1.42 O ATOM 1314 CB VAL A 84 2.942 -5.539 -3.761 1.00 14.33 C ATOM 1315 CG1 VAL A 84 2.078 -6.535 -3.004 1.00 31.45 C ATOM 1316 CG2 VAL A 84 4.364 -6.060 -3.913 1.00 41.02 C ATOM 0 H VAL A 84 4.059 -4.084 -5.451 1.00 53.14 H new ATOM 0 HA VAL A 84 2.248 -6.159 -5.708 1.00 22.41 H new ATOM 0 HB VAL A 84 2.977 -4.615 -3.184 1.00 14.33 H new ATOM 0 HG11 VAL A 84 2.526 -6.740 -2.031 1.00 31.45 H new ATOM 0 HG12 VAL A 84 1.080 -6.119 -2.864 1.00 31.45 H new ATOM 0 HG13 VAL A 84 2.008 -7.462 -3.573 1.00 31.45 H new ATOM 0 HG21 VAL A 84 4.781 -6.273 -2.929 1.00 41.02 H new ATOM 0 HG22 VAL A 84 4.355 -6.973 -4.508 1.00 41.02 H new ATOM 0 HG23 VAL A 84 4.976 -5.308 -4.411 1.00 41.02 H new ATOM 1326 N LEU A 85 0.903 -3.329 -4.678 1.00 63.31 N ATOM 1327 CA LEU A 85 -0.361 -2.630 -4.471 1.00 32.35 C ATOM 1328 C LEU A 85 -1.263 -2.764 -5.694 1.00 33.42 C ATOM 1329 O LEU A 85 -2.404 -3.216 -5.591 1.00 71.02 O ATOM 1330 CB LEU A 85 -0.107 -1.152 -4.171 1.00 73.35 C ATOM 1331 CG LEU A 85 -1.343 -0.254 -4.129 1.00 10.15 C ATOM 1332 CD1 LEU A 85 -2.274 -0.679 -3.004 1.00 4.20 C ATOM 1333 CD2 LEU A 85 -0.937 1.203 -3.967 1.00 45.52 C ATOM 0 H LEU A 85 1.730 -2.738 -4.596 1.00 63.31 H new ATOM 0 HA LEU A 85 -0.864 -3.086 -3.618 1.00 32.35 H new ATOM 0 HB2 LEU A 85 0.403 -1.079 -3.210 1.00 73.35 H new ATOM 0 HB3 LEU A 85 0.576 -0.761 -4.925 1.00 73.35 H new ATOM 0 HG LEU A 85 -1.877 -0.359 -5.073 1.00 10.15 H new ATOM 0 HD11 LEU A 85 -3.148 -0.028 -2.990 1.00 4.20 H new ATOM 0 HD12 LEU A 85 -2.591 -1.709 -3.164 1.00 4.20 H new ATOM 0 HD13 LEU A 85 -1.751 -0.604 -2.051 1.00 4.20 H new ATOM 0 HD21 LEU A 85 -1.829 1.828 -3.939 1.00 45.52 H new ATOM 0 HD22 LEU A 85 -0.380 1.324 -3.038 1.00 45.52 H new ATOM 0 HD23 LEU A 85 -0.311 1.502 -4.808 1.00 45.52 H new ATOM 1345 N TYR A 86 -0.743 -2.372 -6.852 1.00 4.35 N ATOM 1346 CA TYR A 86 -1.502 -2.448 -8.095 1.00 35.12 C ATOM 1347 C TYR A 86 -2.181 -3.806 -8.237 1.00 73.15 C ATOM 1348 O TYR A 86 -3.356 -3.891 -8.597 1.00 72.12 O ATOM 1349 CB TYR A 86 -0.584 -2.196 -9.293 1.00 62.11 C ATOM 1350 CG TYR A 86 -1.279 -2.338 -10.628 1.00 33.33 C ATOM 1351 CD1 TYR A 86 -2.044 -1.303 -11.150 1.00 51.05 C ATOM 1352 CD2 TYR A 86 -1.170 -3.509 -11.369 1.00 72.40 C ATOM 1353 CE1 TYR A 86 -2.681 -1.429 -12.370 1.00 42.24 C ATOM 1354 CE2 TYR A 86 -1.802 -3.643 -12.590 1.00 63.41 C ATOM 1355 CZ TYR A 86 -2.557 -2.601 -13.086 1.00 63.34 C ATOM 1356 OH TYR A 86 -3.189 -2.730 -14.301 1.00 35.00 O ATOM 0 H TYR A 86 0.200 -1.999 -6.956 1.00 4.35 H new ATOM 0 HA TYR A 86 -2.273 -1.678 -8.068 1.00 35.12 H new ATOM 0 HB2 TYR A 86 -0.166 -1.192 -9.215 1.00 62.11 H new ATOM 0 HB3 TYR A 86 0.253 -2.894 -9.252 1.00 62.11 H new ATOM 0 HD1 TYR A 86 -2.143 -0.383 -10.593 1.00 51.05 H new ATOM 0 HD2 TYR A 86 -0.581 -4.328 -10.983 1.00 72.40 H new ATOM 0 HE1 TYR A 86 -3.273 -0.614 -12.760 1.00 42.24 H new ATOM 0 HE2 TYR A 86 -1.705 -4.559 -13.153 1.00 63.41 H new ATOM 0 HH TYR A 86 -3.000 -3.615 -14.676 1.00 35.00 H new ATOM 1366 N CYS A 87 -1.434 -4.866 -7.951 1.00 74.12 N ATOM 1367 CA CYS A 87 -1.962 -6.222 -8.046 1.00 65.30 C ATOM 1368 C CYS A 87 -3.063 -6.451 -7.015 1.00 64.32 C ATOM 1369 O CYS A 87 -3.987 -7.232 -7.241 1.00 40.20 O ATOM 1370 CB CYS A 87 -0.842 -7.244 -7.847 1.00 73.35 C ATOM 1371 SG CYS A 87 0.166 -7.531 -9.320 1.00 10.34 S ATOM 0 H CYS A 87 -0.460 -4.813 -7.651 1.00 74.12 H new ATOM 0 HA CYS A 87 -2.388 -6.349 -9.041 1.00 65.30 H new ATOM 0 HB2 CYS A 87 -0.195 -6.905 -7.038 1.00 73.35 H new ATOM 0 HB3 CYS A 87 -1.280 -8.190 -7.530 1.00 73.35 H new ATOM 0 HG CYS A 87 1.375 -7.850 -8.963 1.00 10.34 H new ATOM 1377 N VAL A 88 -2.957 -5.765 -5.881 1.00 2.34 N ATOM 1378 CA VAL A 88 -3.943 -5.892 -4.815 1.00 61.14 C ATOM 1379 C VAL A 88 -5.258 -5.223 -5.200 1.00 60.31 C ATOM 1380 O VAL A 88 -6.337 -5.704 -4.850 1.00 41.22 O ATOM 1381 CB VAL A 88 -3.431 -5.274 -3.500 1.00 20.44 C ATOM 1382 CG1 VAL A 88 -4.566 -5.137 -2.497 1.00 71.21 C ATOM 1383 CG2 VAL A 88 -2.299 -6.111 -2.925 1.00 72.14 C ATOM 0 H VAL A 88 -2.198 -5.115 -5.677 1.00 2.34 H new ATOM 0 HA VAL A 88 -4.111 -6.958 -4.665 1.00 61.14 H new ATOM 0 HB VAL A 88 -3.044 -4.277 -3.713 1.00 20.44 H new ATOM 0 HG11 VAL A 88 -4.185 -4.699 -1.574 1.00 71.21 H new ATOM 0 HG12 VAL A 88 -5.342 -4.493 -2.911 1.00 71.21 H new ATOM 0 HG13 VAL A 88 -4.985 -6.121 -2.285 1.00 71.21 H new ATOM 0 HG21 VAL A 88 -1.949 -5.660 -1.996 1.00 72.14 H new ATOM 0 HG22 VAL A 88 -2.658 -7.121 -2.726 1.00 72.14 H new ATOM 0 HG23 VAL A 88 -1.478 -6.153 -3.640 1.00 72.14 H new ATOM 1393 N HIS A 89 -5.161 -4.113 -5.922 1.00 2.34 N ATOM 1394 CA HIS A 89 -6.344 -3.377 -6.357 1.00 31.12 C ATOM 1395 C HIS A 89 -7.001 -4.062 -7.552 1.00 72.31 C ATOM 1396 O HIS A 89 -8.219 -3.933 -7.678 1.00 71.44 O ATOM 1397 CB HIS A 89 -5.972 -1.939 -6.722 1.00 61.40 C ATOM 1398 CG HIS A 89 -5.726 -1.065 -5.531 1.00 13.45 C ATOM 1399 ND1 HIS A 89 -6.487 -1.123 -4.383 1.00 11.22 N ATOM 1400 CD2 HIS A 89 -4.794 -0.106 -5.314 1.00 44.15 C ATOM 1401 CE1 HIS A 89 -6.035 -0.239 -3.512 1.00 43.42 C ATOM 1402 NE2 HIS A 89 -5.008 0.391 -4.052 1.00 0.44 N ATOM 0 H HIS A 89 -4.276 -3.702 -6.219 1.00 2.34 H new ATOM 0 HA HIS A 89 -7.055 -3.362 -5.531 1.00 31.12 H new ATOM 0 HB2 HIS A 89 -5.078 -1.950 -7.345 1.00 61.40 H new ATOM 0 HB3 HIS A 89 -6.773 -1.506 -7.321 1.00 61.40 H new ATOM 0 HD1 HIS A 89 -7.276 -1.751 -4.230 1.00 11.22 H new ATOM 0 HD2 HIS A 89 -4.026 0.209 -6.005 1.00 44.15 H new ATOM 0 HE1 HIS A 89 -6.437 -0.062 -2.526 1.00 43.42 H new ATOM 1411 N GLN A 90 -6.255 -4.762 -8.401 1.00 44.25 N ATOM 1412 CA GLN A 90 -6.838 -5.433 -9.555 1.00 25.44 C ATOM 1413 C GLN A 90 -7.364 -6.813 -9.175 1.00 22.32 C ATOM 1414 O GLN A 90 -7.709 -7.617 -10.041 1.00 62.21 O ATOM 1415 CB GLN A 90 -5.805 -5.560 -10.676 1.00 51.51 C ATOM 1416 CG GLN A 90 -5.711 -4.326 -11.559 1.00 52.21 C ATOM 1417 CD GLN A 90 -7.035 -3.965 -12.202 1.00 72.35 C ATOM 1418 OE1 GLN A 90 -7.715 -3.034 -11.770 1.00 21.11 O ATOM 1419 NE2 GLN A 90 -7.410 -4.704 -13.239 1.00 31.22 N ATOM 0 H GLN A 90 -5.246 -4.879 -8.311 1.00 44.25 H new ATOM 0 HA GLN A 90 -7.674 -4.829 -9.908 1.00 25.44 H new ATOM 0 HB2 GLN A 90 -4.827 -5.758 -10.237 1.00 51.51 H new ATOM 0 HB3 GLN A 90 -6.057 -6.421 -11.295 1.00 51.51 H new ATOM 0 HG2 GLN A 90 -5.360 -3.484 -10.963 1.00 52.21 H new ATOM 0 HG3 GLN A 90 -4.968 -4.497 -12.338 1.00 52.21 H new ATOM 0 HE21 GLN A 90 -6.815 -5.466 -13.564 1.00 31.22 H new ATOM 0 HE22 GLN A 90 -8.293 -4.510 -13.711 1.00 31.22 H new ATOM 1428 N ARG A 91 -7.422 -7.081 -7.874 1.00 30.32 N ATOM 1429 CA ARG A 91 -7.904 -8.366 -7.380 1.00 2.31 C ATOM 1430 C ARG A 91 -6.951 -9.491 -7.769 1.00 73.10 C ATOM 1431 O ARG A 91 -7.291 -10.670 -7.666 1.00 52.13 O ATOM 1432 CB ARG A 91 -9.303 -8.655 -7.928 1.00 42.11 C ATOM 1433 CG ARG A 91 -10.078 -9.677 -7.112 1.00 73.22 C ATOM 1434 CD ARG A 91 -10.822 -10.655 -8.007 1.00 24.31 C ATOM 1435 NE ARG A 91 -11.699 -9.971 -8.954 1.00 62.13 N ATOM 1436 CZ ARG A 91 -12.553 -10.603 -9.752 1.00 44.41 C ATOM 1437 NH1 ARG A 91 -12.646 -11.925 -9.716 1.00 42.20 N ATOM 1438 NH2 ARG A 91 -13.318 -9.910 -10.586 1.00 24.31 N ATOM 0 H ARG A 91 -7.142 -6.426 -7.144 1.00 30.32 H new ATOM 0 HA ARG A 91 -7.951 -8.314 -6.292 1.00 2.31 H new ATOM 0 HB2 ARG A 91 -9.870 -7.725 -7.962 1.00 42.11 H new ATOM 0 HB3 ARG A 91 -9.215 -9.013 -8.954 1.00 42.11 H new ATOM 0 HG2 ARG A 91 -9.392 -10.224 -6.465 1.00 73.22 H new ATOM 0 HG3 ARG A 91 -10.788 -9.164 -6.463 1.00 73.22 H new ATOM 0 HD2 ARG A 91 -10.103 -11.265 -8.554 1.00 24.31 H new ATOM 0 HD3 ARG A 91 -11.412 -11.333 -7.391 1.00 24.31 H new ATOM 0 HE ARG A 91 -11.653 -8.953 -9.005 1.00 62.13 H new ATOM 0 HH11 ARG A 91 -12.061 -12.460 -9.074 1.00 42.20 H new ATOM 0 HH12 ARG A 91 -13.303 -12.407 -10.330 1.00 42.20 H new ATOM 0 HH21 ARG A 91 -13.250 -8.893 -10.614 1.00 24.31 H new ATOM 0 HH22 ARG A 91 -13.974 -10.395 -11.199 1.00 24.31 H new ATOM 1452 N ILE A 92 -5.757 -9.119 -8.218 1.00 32.42 N ATOM 1453 CA ILE A 92 -4.754 -10.098 -8.623 1.00 4.41 C ATOM 1454 C ILE A 92 -3.963 -10.603 -7.421 1.00 2.42 C ATOM 1455 O ILE A 92 -3.380 -9.818 -6.674 1.00 12.44 O ATOM 1456 CB ILE A 92 -3.777 -9.507 -9.655 1.00 34.22 C ATOM 1457 CG1 ILE A 92 -4.545 -8.934 -10.848 1.00 35.13 C ATOM 1458 CG2 ILE A 92 -2.787 -10.567 -10.116 1.00 65.33 C ATOM 1459 CD1 ILE A 92 -3.654 -8.287 -11.886 1.00 13.11 C ATOM 0 H ILE A 92 -5.460 -8.148 -8.311 1.00 32.42 H new ATOM 0 HA ILE A 92 -5.290 -10.931 -9.078 1.00 4.41 H new ATOM 0 HB ILE A 92 -3.220 -8.698 -9.183 1.00 34.22 H new ATOM 0 HG12 ILE A 92 -5.117 -9.733 -11.319 1.00 35.13 H new ATOM 0 HG13 ILE A 92 -5.263 -8.198 -10.488 1.00 35.13 H new ATOM 0 HG21 ILE A 92 -2.103 -10.133 -10.846 1.00 65.33 H new ATOM 0 HG22 ILE A 92 -2.220 -10.932 -9.260 1.00 65.33 H new ATOM 0 HG23 ILE A 92 -3.328 -11.396 -10.573 1.00 65.33 H new ATOM 0 HD11 ILE A 92 -4.266 -7.903 -12.702 1.00 13.11 H new ATOM 0 HD12 ILE A 92 -3.101 -7.466 -11.430 1.00 13.11 H new ATOM 0 HD13 ILE A 92 -2.953 -9.025 -12.274 1.00 13.11 H new ATOM 1471 N ASP A 93 -3.947 -11.919 -7.242 1.00 63.21 N ATOM 1472 CA ASP A 93 -3.226 -12.530 -6.132 1.00 74.52 C ATOM 1473 C ASP A 93 -1.822 -12.945 -6.561 1.00 33.50 C ATOM 1474 O ASP A 93 -1.650 -13.889 -7.332 1.00 20.30 O ATOM 1475 CB ASP A 93 -3.991 -13.746 -5.606 1.00 52.42 C ATOM 1476 CG ASP A 93 -5.330 -13.369 -5.003 1.00 45.44 C ATOM 1477 OD1 ASP A 93 -5.562 -12.162 -4.779 1.00 32.11 O ATOM 1478 OD2 ASP A 93 -6.146 -14.281 -4.753 1.00 2.43 O ATOM 0 H ASP A 93 -4.425 -12.583 -7.851 1.00 63.21 H new ATOM 0 HA ASP A 93 -3.141 -11.791 -5.335 1.00 74.52 H new ATOM 0 HB2 ASP A 93 -4.148 -14.453 -6.420 1.00 52.42 H new ATOM 0 HB3 ASP A 93 -3.387 -14.255 -4.854 1.00 52.42 H new ATOM 1483 N VAL A 94 -0.820 -12.233 -6.056 1.00 72.31 N ATOM 1484 CA VAL A 94 0.570 -12.527 -6.386 1.00 23.01 C ATOM 1485 C VAL A 94 1.170 -13.523 -5.400 1.00 41.44 C ATOM 1486 O VAL A 94 0.575 -13.824 -4.365 1.00 73.32 O ATOM 1487 CB VAL A 94 1.428 -11.248 -6.393 1.00 74.22 C ATOM 1488 CG1 VAL A 94 0.792 -10.183 -7.272 1.00 3.34 C ATOM 1489 CG2 VAL A 94 1.626 -10.731 -4.975 1.00 22.21 C ATOM 0 H VAL A 94 -0.945 -11.448 -5.417 1.00 72.31 H new ATOM 0 HA VAL A 94 0.573 -12.963 -7.385 1.00 23.01 H new ATOM 0 HB VAL A 94 2.407 -11.491 -6.807 1.00 74.22 H new ATOM 0 HG11 VAL A 94 1.412 -9.287 -7.264 1.00 3.34 H new ATOM 0 HG12 VAL A 94 0.707 -10.557 -8.292 1.00 3.34 H new ATOM 0 HG13 VAL A 94 -0.200 -9.941 -6.890 1.00 3.34 H new ATOM 0 HG21 VAL A 94 2.234 -9.827 -4.999 1.00 22.21 H new ATOM 0 HG22 VAL A 94 0.656 -10.504 -4.532 1.00 22.21 H new ATOM 0 HG23 VAL A 94 2.129 -11.491 -4.377 1.00 22.21 H new ATOM 1499 N LYS A 95 2.354 -14.031 -5.727 1.00 42.33 N ATOM 1500 CA LYS A 95 3.037 -14.993 -4.871 1.00 51.34 C ATOM 1501 C LYS A 95 4.157 -14.319 -4.083 1.00 61.13 C ATOM 1502 O LYS A 95 4.575 -14.813 -3.035 1.00 73.32 O ATOM 1503 CB LYS A 95 3.608 -16.139 -5.709 1.00 42.12 C ATOM 1504 CG LYS A 95 2.583 -17.202 -6.064 1.00 41.23 C ATOM 1505 CD LYS A 95 3.217 -18.580 -6.153 1.00 23.03 C ATOM 1506 CE LYS A 95 2.531 -19.441 -7.203 1.00 13.23 C ATOM 1507 NZ LYS A 95 3.352 -19.569 -8.439 1.00 53.41 N ATOM 0 H LYS A 95 2.860 -13.792 -6.580 1.00 42.33 H new ATOM 0 HA LYS A 95 2.309 -15.395 -4.166 1.00 51.34 H new ATOM 0 HB2 LYS A 95 4.029 -15.731 -6.628 1.00 42.12 H new ATOM 0 HB3 LYS A 95 4.428 -16.605 -5.162 1.00 42.12 H new ATOM 0 HG2 LYS A 95 1.793 -17.212 -5.313 1.00 41.23 H new ATOM 0 HG3 LYS A 95 2.115 -16.954 -7.016 1.00 41.23 H new ATOM 0 HD2 LYS A 95 4.275 -18.480 -6.397 1.00 23.03 H new ATOM 0 HD3 LYS A 95 3.159 -19.072 -5.182 1.00 23.03 H new ATOM 0 HE2 LYS A 95 2.338 -20.432 -6.791 1.00 13.23 H new ATOM 0 HE3 LYS A 95 1.563 -19.006 -7.453 1.00 13.23 H new ATOM 0 HZ1 LYS A 95 2.738 -19.484 -9.274 1.00 53.41 H new ATOM 0 HZ2 LYS A 95 4.069 -18.816 -8.459 1.00 53.41 H new ATOM 0 HZ3 LYS A 95 3.823 -20.496 -8.448 1.00 53.41 H new ATOM 1521 N ASP A 96 4.635 -13.189 -4.591 1.00 34.12 N ATOM 1522 CA ASP A 96 5.704 -12.447 -3.933 1.00 34.13 C ATOM 1523 C ASP A 96 6.080 -11.207 -4.738 1.00 21.20 C ATOM 1524 O ASP A 96 5.528 -10.960 -5.811 1.00 14.43 O ATOM 1525 CB ASP A 96 6.933 -13.339 -3.744 1.00 45.14 C ATOM 1526 CG ASP A 96 7.063 -14.384 -4.835 1.00 45.01 C ATOM 1527 OD1 ASP A 96 7.136 -14.000 -6.021 1.00 50.52 O ATOM 1528 OD2 ASP A 96 7.091 -15.588 -4.502 1.00 12.03 O ATOM 0 H ASP A 96 4.299 -12.766 -5.457 1.00 34.12 H new ATOM 0 HA ASP A 96 5.342 -12.128 -2.955 1.00 34.13 H new ATOM 0 HB2 ASP A 96 7.830 -12.719 -3.730 1.00 45.14 H new ATOM 0 HB3 ASP A 96 6.873 -13.835 -2.775 1.00 45.14 H new ATOM 1533 N THR A 97 7.023 -10.430 -4.213 1.00 25.03 N ATOM 1534 CA THR A 97 7.470 -9.214 -4.881 1.00 74.22 C ATOM 1535 C THR A 97 8.138 -9.534 -6.214 1.00 63.33 C ATOM 1536 O THR A 97 8.447 -8.636 -6.997 1.00 53.41 O ATOM 1537 CB THR A 97 8.456 -8.422 -4.003 1.00 71.14 C ATOM 1538 OG1 THR A 97 7.915 -8.253 -2.688 1.00 34.11 O ATOM 1539 CG2 THR A 97 8.751 -7.060 -4.615 1.00 71.15 C ATOM 0 H THR A 97 7.492 -10.621 -3.327 1.00 25.03 H new ATOM 0 HA THR A 97 6.583 -8.605 -5.058 1.00 74.22 H new ATOM 0 HB THR A 97 9.387 -8.985 -3.942 1.00 71.14 H new ATOM 0 HG1 THR A 97 8.589 -8.503 -2.022 1.00 34.11 H new ATOM 0 HG21 THR A 97 9.450 -6.518 -3.978 1.00 71.15 H new ATOM 0 HG22 THR A 97 9.190 -7.193 -5.604 1.00 71.15 H new ATOM 0 HG23 THR A 97 7.825 -6.492 -4.703 1.00 71.15 H new ATOM 1547 N LYS A 98 8.357 -10.820 -6.468 1.00 55.14 N ATOM 1548 CA LYS A 98 8.987 -11.259 -7.707 1.00 62.51 C ATOM 1549 C LYS A 98 7.940 -11.527 -8.783 1.00 4.23 C ATOM 1550 O LYS A 98 7.943 -10.892 -9.838 1.00 74.12 O ATOM 1551 CB LYS A 98 9.816 -12.522 -7.462 1.00 12.52 C ATOM 1552 CG LYS A 98 10.915 -12.736 -8.489 1.00 4.22 C ATOM 1553 CD LYS A 98 10.477 -13.696 -9.581 1.00 22.32 C ATOM 1554 CE LYS A 98 10.768 -15.141 -9.203 1.00 33.04 C ATOM 1555 NZ LYS A 98 12.005 -15.648 -9.861 1.00 64.11 N ATOM 0 H LYS A 98 8.107 -11.577 -5.831 1.00 55.14 H new ATOM 0 HA LYS A 98 9.644 -10.462 -8.054 1.00 62.51 H new ATOM 0 HB2 LYS A 98 10.263 -12.466 -6.470 1.00 12.52 H new ATOM 0 HB3 LYS A 98 9.154 -13.388 -7.465 1.00 12.52 H new ATOM 0 HG2 LYS A 98 11.191 -11.779 -8.933 1.00 4.22 H new ATOM 0 HG3 LYS A 98 11.805 -13.126 -7.995 1.00 4.22 H new ATOM 0 HD2 LYS A 98 9.410 -13.575 -9.766 1.00 22.32 H new ATOM 0 HD3 LYS A 98 10.992 -13.451 -10.510 1.00 22.32 H new ATOM 0 HE2 LYS A 98 10.874 -15.219 -8.121 1.00 33.04 H new ATOM 0 HE3 LYS A 98 9.923 -15.768 -9.487 1.00 33.04 H new ATOM 0 HZ1 LYS A 98 12.169 -16.635 -9.578 1.00 64.11 H new ATOM 0 HZ2 LYS A 98 11.895 -15.597 -10.894 1.00 64.11 H new ATOM 0 HZ3 LYS A 98 12.816 -15.066 -9.571 1.00 64.11 H new ATOM 1569 N GLU A 99 7.044 -12.470 -8.509 1.00 65.21 N ATOM 1570 CA GLU A 99 5.990 -12.820 -9.455 1.00 30.21 C ATOM 1571 C GLU A 99 5.038 -11.647 -9.668 1.00 51.03 C ATOM 1572 O GLU A 99 4.371 -11.555 -10.698 1.00 14.33 O ATOM 1573 CB GLU A 99 5.212 -14.040 -8.957 1.00 3.02 C ATOM 1574 CG GLU A 99 5.447 -15.292 -9.784 1.00 55.03 C ATOM 1575 CD GLU A 99 4.716 -16.501 -9.234 1.00 3.01 C ATOM 1576 OE1 GLU A 99 3.531 -16.361 -8.862 1.00 14.14 O ATOM 1577 OE2 GLU A 99 5.328 -17.589 -9.174 1.00 4.43 O ATOM 0 H GLU A 99 7.027 -13.005 -7.641 1.00 65.21 H new ATOM 0 HA GLU A 99 6.459 -13.062 -10.409 1.00 30.21 H new ATOM 0 HB2 GLU A 99 5.491 -14.241 -7.923 1.00 3.02 H new ATOM 0 HB3 GLU A 99 4.147 -13.807 -8.960 1.00 3.02 H new ATOM 0 HG2 GLU A 99 5.123 -15.112 -10.809 1.00 55.03 H new ATOM 0 HG3 GLU A 99 6.516 -15.504 -9.820 1.00 55.03 H new ATOM 1584 N ALA A 100 4.980 -10.755 -8.686 1.00 41.54 N ATOM 1585 CA ALA A 100 4.111 -9.587 -8.766 1.00 64.04 C ATOM 1586 C ALA A 100 4.643 -8.574 -9.774 1.00 61.33 C ATOM 1587 O ALA A 100 3.952 -8.207 -10.725 1.00 44.43 O ATOM 1588 CB ALA A 100 3.965 -8.943 -7.395 1.00 54.21 C ATOM 0 H ALA A 100 5.524 -10.818 -7.826 1.00 41.54 H new ATOM 0 HA ALA A 100 3.130 -9.918 -9.107 1.00 64.04 H new ATOM 0 HB1 ALA A 100 3.314 -8.072 -7.470 1.00 54.21 H new ATOM 0 HB2 ALA A 100 3.532 -9.662 -6.700 1.00 54.21 H new ATOM 0 HB3 ALA A 100 4.945 -8.633 -7.032 1.00 54.21 H new ATOM 1594 N LEU A 101 5.875 -8.125 -9.561 1.00 71.33 N ATOM 1595 CA LEU A 101 6.500 -7.154 -10.451 1.00 73.12 C ATOM 1596 C LEU A 101 6.490 -7.651 -11.893 1.00 3.21 C ATOM 1597 O LEU A 101 6.269 -6.877 -12.825 1.00 21.14 O ATOM 1598 CB LEU A 101 7.938 -6.877 -10.007 1.00 42.44 C ATOM 1599 CG LEU A 101 8.109 -5.834 -8.901 1.00 51.42 C ATOM 1600 CD1 LEU A 101 9.423 -6.046 -8.166 1.00 45.02 C ATOM 1601 CD2 LEU A 101 8.041 -4.427 -9.479 1.00 64.41 C ATOM 0 H LEU A 101 6.461 -8.418 -8.779 1.00 71.33 H new ATOM 0 HA LEU A 101 5.925 -6.230 -10.400 1.00 73.12 H new ATOM 0 HB2 LEU A 101 8.379 -7.814 -9.667 1.00 42.44 H new ATOM 0 HB3 LEU A 101 8.510 -6.553 -10.877 1.00 42.44 H new ATOM 0 HG LEU A 101 7.293 -5.953 -8.188 1.00 51.42 H new ATOM 0 HD11 LEU A 101 9.527 -5.295 -7.383 1.00 45.02 H new ATOM 0 HD12 LEU A 101 9.434 -7.040 -7.719 1.00 45.02 H new ATOM 0 HD13 LEU A 101 10.252 -5.955 -8.868 1.00 45.02 H new ATOM 0 HD21 LEU A 101 8.165 -3.698 -8.678 1.00 64.41 H new ATOM 0 HD22 LEU A 101 8.835 -4.297 -10.214 1.00 64.41 H new ATOM 0 HD23 LEU A 101 7.074 -4.277 -9.960 1.00 64.41 H new ATOM 1613 N ASP A 102 6.727 -8.947 -12.069 1.00 11.51 N ATOM 1614 CA ASP A 102 6.741 -9.548 -13.397 1.00 51.41 C ATOM 1615 C ASP A 102 5.377 -9.414 -14.069 1.00 32.21 C ATOM 1616 O ASP A 102 5.287 -9.169 -15.272 1.00 13.51 O ATOM 1617 CB ASP A 102 7.137 -11.022 -13.309 1.00 42.04 C ATOM 1618 CG ASP A 102 7.896 -11.493 -14.534 1.00 65.13 C ATOM 1619 OD1 ASP A 102 7.339 -11.403 -15.648 1.00 5.11 O ATOM 1620 OD2 ASP A 102 9.047 -11.950 -14.379 1.00 51.21 O ATOM 0 H ASP A 102 6.912 -9.601 -11.308 1.00 11.51 H new ATOM 0 HA ASP A 102 7.477 -9.018 -14.001 1.00 51.41 H new ATOM 0 HB2 ASP A 102 7.752 -11.177 -12.423 1.00 42.04 H new ATOM 0 HB3 ASP A 102 6.240 -11.629 -13.185 1.00 42.04 H new