USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 603 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 18 SER OG : rot 160:sc= -1.55 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.32 F(o=-1.2,f=-0.32) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0.0526 K(o=0.053,f=-0.72) USER MOD Single : A 28 HIS : no HD1:sc= -3.24 K(o=-3.2,f=-5.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 155:sc= 0 (180deg=-0.577) USER MOD Single : A 47 LYS NZ :NH3+ -115:sc= 1.21 (180deg=-0.404) USER MOD Single : A 54 GLN : amide:sc= -0.0724 X(o=-0.072,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -0.124 F(o=-0.81,f=-0.12) USER MOD Single : A 62 CYS SG : rot -171:sc= -0.39 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.3) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.598 F(o=-1.9,f=-0.6) USER MOD Single : A 81 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.2!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N GLY A 11 -14.987 -6.868 5.206 1.00 0.00 N ATOM 126 CA GLY A 11 -14.949 -8.107 4.451 1.00 0.00 C ATOM 127 C GLY A 11 -14.586 -9.300 5.313 1.00 0.00 C ATOM 128 O GLY A 11 -14.420 -9.170 6.525 1.00 0.00 O ATOM 0 HA2 GLY A 11 -15.922 -8.278 3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.225 -8.014 3.642 1.00 0.00 H new ATOM 132 N GLU A 12 -14.463 -10.465 4.686 1.00 0.00 N ATOM 133 CA GLU A 12 -14.120 -11.686 5.405 1.00 0.00 C ATOM 134 C GLU A 12 -12.607 -11.877 5.462 1.00 0.00 C ATOM 135 O GLU A 12 -11.894 -11.565 4.507 1.00 0.00 O ATOM 136 CB GLU A 12 -14.772 -12.899 4.737 1.00 0.00 C ATOM 137 CG GLU A 12 -16.155 -13.221 5.279 1.00 0.00 C ATOM 138 CD GLU A 12 -16.106 -13.914 6.627 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.855 -15.137 6.657 1.00 0.00 O ATOM 140 OE2 GLU A 12 -16.319 -13.233 7.652 1.00 0.00 O ATOM 0 H GLU A 12 -14.596 -10.589 3.682 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.497 -11.594 6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.844 -12.718 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.127 -13.767 4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.730 -12.299 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.681 -13.856 4.567 1.00 0.00 H new ATOM 147 N LEU A 13 -12.123 -12.391 6.587 1.00 0.00 N ATOM 148 CA LEU A 13 -10.695 -12.623 6.771 1.00 0.00 C ATOM 149 C LEU A 13 -10.172 -13.633 5.754 1.00 0.00 C ATOM 150 O LEU A 13 -9.305 -13.317 4.940 1.00 0.00 O ATOM 151 CB LEU A 13 -10.417 -13.121 8.190 1.00 0.00 C ATOM 152 CG LEU A 13 -10.256 -12.041 9.261 1.00 0.00 C ATOM 153 CD1 LEU A 13 -11.602 -11.698 9.880 1.00 0.00 C ATOM 154 CD2 LEU A 13 -9.274 -12.493 10.331 1.00 0.00 C ATOM 0 H LEU A 13 -12.699 -12.655 7.386 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.176 -11.677 6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.231 -13.781 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.509 -13.724 8.171 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.858 -11.143 8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.467 -10.928 10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.275 -11.330 9.106 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.029 -12.590 10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.172 -11.712 11.085 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.642 -13.405 10.801 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.303 -12.686 9.875 1.00 0.00 H new ATOM 166 N GLU A 14 -10.708 -14.849 5.807 1.00 0.00 N ATOM 167 CA GLU A 14 -10.296 -15.905 4.889 1.00 0.00 C ATOM 168 C GLU A 14 -10.502 -15.476 3.439 1.00 0.00 C ATOM 169 O GLU A 14 -9.914 -16.050 2.523 1.00 0.00 O ATOM 170 CB GLU A 14 -11.079 -17.189 5.169 1.00 0.00 C ATOM 171 CG GLU A 14 -10.755 -17.819 6.513 1.00 0.00 C ATOM 172 CD GLU A 14 -9.419 -18.535 6.515 1.00 0.00 C ATOM 173 OE1 GLU A 14 -8.484 -18.048 5.846 1.00 0.00 O ATOM 174 OE2 GLU A 14 -9.308 -19.584 7.184 1.00 0.00 O ATOM 0 H GLU A 14 -11.427 -15.127 6.475 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.234 -16.094 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.146 -16.970 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.871 -17.911 4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.749 -17.045 7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.542 -18.525 6.778 1.00 0.00 H new ATOM 181 N GLN A 15 -11.341 -14.465 3.241 1.00 0.00 N ATOM 182 CA GLN A 15 -11.626 -13.960 1.903 1.00 0.00 C ATOM 183 C GLN A 15 -10.494 -13.068 1.404 1.00 0.00 C ATOM 184 O GLN A 15 -10.107 -13.133 0.238 1.00 0.00 O ATOM 185 CB GLN A 15 -12.943 -13.182 1.898 1.00 0.00 C ATOM 186 CG GLN A 15 -14.170 -14.064 1.725 1.00 0.00 C ATOM 187 CD GLN A 15 -15.330 -13.331 1.083 1.00 0.00 C ATOM 188 OE1 GLN A 15 -15.468 -12.048 1.399 1.00 0.00 O flip ATOM 189 NE2 GLN A 15 -16.095 -13.910 0.311 1.00 0.00 N flip ATOM 0 H GLN A 15 -11.835 -13.979 3.990 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.714 -14.814 1.232 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.032 -12.629 2.833 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.918 -12.447 1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.908 -14.928 1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.480 -14.444 2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.952 -14.897 0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.872 -13.403 -0.113 1.00 0.00 H new ATOM 198 N MET A 16 -9.966 -12.236 2.297 1.00 0.00 N ATOM 199 CA MET A 16 -8.877 -11.332 1.947 1.00 0.00 C ATOM 200 C MET A 16 -7.791 -12.065 1.165 1.00 0.00 C ATOM 201 O MET A 16 -7.610 -13.273 1.319 1.00 0.00 O ATOM 202 CB MET A 16 -8.279 -10.707 3.209 1.00 0.00 C ATOM 203 CG MET A 16 -9.275 -9.885 4.010 1.00 0.00 C ATOM 204 SD MET A 16 -8.474 -8.735 5.145 1.00 0.00 S ATOM 205 CE MET A 16 -9.868 -8.217 6.143 1.00 0.00 C ATOM 0 H MET A 16 -10.275 -12.170 3.267 1.00 0.00 H new ATOM 0 HA MET A 16 -9.283 -10.542 1.316 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.881 -11.499 3.843 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.439 -10.072 2.927 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.914 -9.328 3.325 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.922 -10.556 4.575 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.532 -7.502 6.894 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.618 -7.749 5.505 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.304 -9.085 6.638 1.00 0.00 H new ATOM 215 N VAL A 17 -7.071 -11.327 0.326 1.00 0.00 N ATOM 216 CA VAL A 17 -6.003 -11.907 -0.479 1.00 0.00 C ATOM 217 C VAL A 17 -4.751 -11.038 -0.438 1.00 0.00 C ATOM 218 O VAL A 17 -4.824 -9.818 -0.583 1.00 0.00 O ATOM 219 CB VAL A 17 -6.440 -12.089 -1.944 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.683 -12.963 -2.026 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.685 -10.738 -2.599 1.00 0.00 C ATOM 0 H VAL A 17 -7.208 -10.326 0.186 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.778 -12.884 -0.051 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.637 -12.589 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.977 -13.080 -3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.468 -13.942 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.495 -12.494 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.993 -10.886 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.470 -10.209 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.768 -10.150 -2.574 1.00 0.00 H new ATOM 231 N SER A 18 -3.601 -11.676 -0.240 1.00 0.00 N ATOM 232 CA SER A 18 -2.332 -10.961 -0.176 1.00 0.00 C ATOM 233 C SER A 18 -1.670 -10.907 -1.550 1.00 0.00 C ATOM 234 O SER A 18 -1.434 -11.939 -2.178 1.00 0.00 O ATOM 235 CB SER A 18 -1.394 -11.632 0.828 1.00 0.00 C ATOM 236 OG SER A 18 -0.470 -10.701 1.364 1.00 0.00 O ATOM 0 H SER A 18 -3.523 -12.686 -0.121 1.00 0.00 H new ATOM 0 HA SER A 18 -2.534 -9.941 0.152 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.977 -12.076 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.855 -12.444 0.340 1.00 0.00 H new ATOM 0 HG SER A 18 -0.108 -11.047 2.206 1.00 0.00 H new ATOM 242 N GLU A 19 -1.372 -9.695 -2.010 1.00 0.00 N ATOM 243 CA GLU A 19 -0.738 -9.507 -3.309 1.00 0.00 C ATOM 244 C GLU A 19 0.621 -8.829 -3.158 1.00 0.00 C ATOM 245 O GLU A 19 0.924 -8.249 -2.115 1.00 0.00 O ATOM 246 CB GLU A 19 -1.638 -8.673 -4.224 1.00 0.00 C ATOM 247 CG GLU A 19 -2.617 -9.503 -5.036 1.00 0.00 C ATOM 248 CD GLU A 19 -1.970 -10.727 -5.656 1.00 0.00 C ATOM 249 OE1 GLU A 19 -1.431 -10.608 -6.776 1.00 0.00 O ATOM 250 OE2 GLU A 19 -2.004 -11.802 -5.022 1.00 0.00 O ATOM 0 H GLU A 19 -1.560 -8.830 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.587 -10.489 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.196 -7.959 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.013 -8.094 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.440 -9.817 -4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.045 -8.884 -5.825 1.00 0.00 H new ATOM 257 N ASP A 20 1.433 -8.906 -4.205 1.00 0.00 N ATOM 258 CA ASP A 20 2.760 -8.300 -4.191 1.00 0.00 C ATOM 259 C ASP A 20 2.798 -7.055 -5.070 1.00 0.00 C ATOM 260 O ASP A 20 2.526 -7.120 -6.269 1.00 0.00 O ATOM 261 CB ASP A 20 3.809 -9.307 -4.665 1.00 0.00 C ATOM 262 CG ASP A 20 4.048 -10.413 -3.656 1.00 0.00 C ATOM 263 OD1 ASP A 20 4.415 -10.097 -2.505 1.00 0.00 O ATOM 264 OD2 ASP A 20 3.868 -11.595 -4.017 1.00 0.00 O ATOM 0 H ASP A 20 1.196 -9.382 -5.075 1.00 0.00 H new ATOM 0 HA ASP A 20 2.987 -8.006 -3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.487 -9.745 -5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.747 -8.786 -4.858 1.00 0.00 H new ATOM 269 N VAL A 21 3.136 -5.920 -4.466 1.00 0.00 N ATOM 270 CA VAL A 21 3.210 -4.659 -5.194 1.00 0.00 C ATOM 271 C VAL A 21 4.645 -4.150 -5.269 1.00 0.00 C ATOM 272 O VAL A 21 5.293 -3.896 -4.253 1.00 0.00 O ATOM 273 CB VAL A 21 2.328 -3.580 -4.539 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.984 -2.489 -5.541 1.00 0.00 C ATOM 275 CG2 VAL A 21 1.065 -4.202 -3.962 1.00 0.00 C ATOM 0 H VAL A 21 3.363 -5.848 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 21 2.844 -4.854 -6.202 1.00 0.00 H new ATOM 0 HB VAL A 21 2.888 -3.126 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.360 -1.736 -5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.901 -2.024 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.443 -2.924 -6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.454 -3.425 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.500 -4.685 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.335 -4.943 -3.209 1.00 0.00 H new ATOM 285 N PRO A 22 5.155 -3.997 -6.500 1.00 0.00 N ATOM 286 CA PRO A 22 6.520 -3.516 -6.737 1.00 0.00 C ATOM 287 C PRO A 22 6.686 -2.043 -6.378 1.00 0.00 C ATOM 288 O PRO A 22 6.270 -1.160 -7.130 1.00 0.00 O ATOM 289 CB PRO A 22 6.713 -3.725 -8.241 1.00 0.00 C ATOM 290 CG PRO A 22 5.336 -3.691 -8.808 1.00 0.00 C ATOM 291 CD PRO A 22 4.439 -4.281 -7.755 1.00 0.00 C ATOM 0 HA PRO A 22 7.250 -4.042 -6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.338 -2.943 -8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.203 -4.676 -8.449 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.038 -2.670 -9.047 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.281 -4.264 -9.733 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.450 -3.822 -7.766 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.296 -5.351 -7.903 1.00 0.00 H new ATOM 299 N LEU A 23 7.295 -1.785 -5.226 1.00 0.00 N ATOM 300 CA LEU A 23 7.517 -0.417 -4.768 1.00 0.00 C ATOM 301 C LEU A 23 9.005 -0.142 -4.576 1.00 0.00 C ATOM 302 O LEU A 23 9.668 -0.793 -3.768 1.00 0.00 O ATOM 303 CB LEU A 23 6.768 -0.170 -3.458 1.00 0.00 C ATOM 304 CG LEU A 23 6.619 1.292 -3.035 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.581 1.993 -3.897 1.00 0.00 C ATOM 306 CD2 LEU A 23 6.245 1.386 -1.563 1.00 0.00 C ATOM 0 H LEU A 23 7.644 -2.504 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 23 7.136 0.262 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.773 -0.606 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.283 -0.707 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 23 7.577 1.792 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.488 3.032 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.891 1.957 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.619 1.493 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.143 2.434 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.299 0.871 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.024 0.921 -0.959 1.00 0.00 H new ATOM 318 N ASP A 24 9.523 0.827 -5.323 1.00 0.00 N ATOM 319 CA ASP A 24 10.932 1.191 -5.233 1.00 0.00 C ATOM 320 C ASP A 24 11.279 1.675 -3.829 1.00 0.00 C ATOM 321 O ASP A 24 10.485 2.359 -3.182 1.00 0.00 O ATOM 322 CB ASP A 24 11.267 2.277 -6.257 1.00 0.00 C ATOM 323 CG ASP A 24 12.760 2.441 -6.460 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.484 1.425 -6.391 1.00 0.00 O ATOM 325 OD2 ASP A 24 13.205 3.585 -6.689 1.00 0.00 O ATOM 0 H ASP A 24 8.988 1.374 -5.997 1.00 0.00 H new ATOM 0 HA ASP A 24 11.526 0.303 -5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.799 2.030 -7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.842 3.225 -5.929 1.00 0.00 H new ATOM 330 N HIS A 25 12.471 1.315 -3.362 1.00 0.00 N ATOM 331 CA HIS A 25 12.924 1.713 -2.034 1.00 0.00 C ATOM 332 C HIS A 25 13.177 3.216 -1.973 1.00 0.00 C ATOM 333 O HIS A 25 13.352 3.783 -0.894 1.00 0.00 O ATOM 334 CB HIS A 25 14.197 0.954 -1.657 1.00 0.00 C ATOM 335 CG HIS A 25 15.388 1.337 -2.481 1.00 0.00 C ATOM 336 ND1 HIS A 25 15.560 0.933 -3.788 1.00 0.00 N ATOM 337 CD2 HIS A 25 16.468 2.093 -2.176 1.00 0.00 C ATOM 338 CE1 HIS A 25 16.696 1.423 -4.251 1.00 0.00 C ATOM 339 NE2 HIS A 25 17.266 2.131 -3.293 1.00 0.00 N ATOM 0 H HIS A 25 13.140 0.749 -3.884 1.00 0.00 H new ATOM 0 HA HIS A 25 12.138 1.466 -1.321 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.420 1.134 -0.605 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.018 -0.116 -1.766 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.666 2.576 -1.231 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.091 1.270 -5.244 1.00 0.00 H new ATOM 0 HE2 HIS A 25 18.155 2.626 -3.370 1.00 0.00 H new ATOM 347 N ARG A 26 13.195 3.856 -3.138 1.00 0.00 N ATOM 348 CA ARG A 26 13.428 5.293 -3.217 1.00 0.00 C ATOM 349 C ARG A 26 12.194 6.070 -2.769 1.00 0.00 C ATOM 350 O ARG A 26 12.271 7.262 -2.474 1.00 0.00 O ATOM 351 CB ARG A 26 13.804 5.692 -4.645 1.00 0.00 C ATOM 352 CG ARG A 26 15.118 5.091 -5.119 1.00 0.00 C ATOM 353 CD ARG A 26 16.296 5.989 -4.779 1.00 0.00 C ATOM 354 NE ARG A 26 16.068 7.372 -5.192 1.00 0.00 N ATOM 355 CZ ARG A 26 16.843 8.386 -4.822 1.00 0.00 C ATOM 356 NH1 ARG A 26 17.889 8.174 -4.037 1.00 0.00 N ATOM 357 NH2 ARG A 26 16.570 9.616 -5.239 1.00 0.00 N ATOM 0 H ARG A 26 13.051 3.402 -4.040 1.00 0.00 H new ATOM 0 HA ARG A 26 14.253 5.539 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.007 5.382 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.869 6.778 -4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.259 4.113 -4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.079 4.933 -6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.478 5.957 -3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 26 17.194 5.609 -5.266 1.00 0.00 H new ATOM 0 HE ARG A 26 15.271 7.570 -5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 26 18.102 7.230 -3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.482 8.955 -3.755 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.765 9.783 -5.843 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.165 10.395 -4.955 1.00 0.00 H new ATOM 371 N VAL A 27 11.055 5.385 -2.720 1.00 0.00 N ATOM 372 CA VAL A 27 9.805 6.010 -2.307 1.00 0.00 C ATOM 373 C VAL A 27 9.239 5.338 -1.061 1.00 0.00 C ATOM 374 O VAL A 27 8.386 5.899 -0.372 1.00 0.00 O ATOM 375 CB VAL A 27 8.752 5.954 -3.430 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.237 6.713 -4.655 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.425 4.510 -3.782 1.00 0.00 C ATOM 0 H VAL A 27 10.973 4.397 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 27 10.032 7.052 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 27 7.840 6.433 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.480 6.662 -5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.416 7.755 -4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.163 6.266 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.680 4.489 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.330 4.004 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.031 4.001 -2.902 1.00 0.00 H new ATOM 387 N HIS A 28 9.720 4.131 -0.776 1.00 0.00 N ATOM 388 CA HIS A 28 9.263 3.382 0.388 1.00 0.00 C ATOM 389 C HIS A 28 8.959 4.319 1.553 1.00 0.00 C ATOM 390 O HIS A 28 7.800 4.518 1.917 1.00 0.00 O ATOM 391 CB HIS A 28 10.316 2.355 0.806 1.00 0.00 C ATOM 392 CG HIS A 28 10.155 1.025 0.137 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.669 -0.145 0.655 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.530 0.683 -1.014 1.00 0.00 C ATOM 395 CE1 HIS A 28 10.369 -1.149 -0.150 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.678 -0.673 -1.170 1.00 0.00 N ATOM 0 H HIS A 28 10.426 3.652 -1.335 1.00 0.00 H new ATOM 0 HA HIS A 28 8.345 2.860 0.116 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.306 2.749 0.578 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.268 2.217 1.886 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.012 1.352 -1.685 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.642 -2.183 0.001 1.00 0.00 H new ATOM 0 HE2 HIS A 28 9.313 -1.223 -1.947 1.00 0.00 H new ATOM 404 N ALA A 29 10.008 4.893 2.134 1.00 0.00 N ATOM 405 CA ALA A 29 9.853 5.810 3.256 1.00 0.00 C ATOM 406 C ALA A 29 8.875 6.930 2.919 1.00 0.00 C ATOM 407 O ALA A 29 7.945 7.204 3.678 1.00 0.00 O ATOM 408 CB ALA A 29 11.203 6.388 3.655 1.00 0.00 C ATOM 0 H ALA A 29 10.974 4.739 1.846 1.00 0.00 H new ATOM 0 HA ALA A 29 9.446 5.250 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.073 7.071 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.873 5.579 3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.631 6.928 2.811 1.00 0.00 H new ATOM 414 N ARG A 30 9.090 7.574 1.776 1.00 0.00 N ATOM 415 CA ARG A 30 8.228 8.665 1.340 1.00 0.00 C ATOM 416 C ARG A 30 6.758 8.312 1.545 1.00 0.00 C ATOM 417 O ARG A 30 5.958 9.154 1.956 1.00 0.00 O ATOM 418 CB ARG A 30 8.485 8.990 -0.133 1.00 0.00 C ATOM 419 CG ARG A 30 9.587 10.014 -0.347 1.00 0.00 C ATOM 420 CD ARG A 30 10.955 9.439 -0.015 1.00 0.00 C ATOM 421 NE ARG A 30 11.992 10.468 0.002 1.00 0.00 N ATOM 422 CZ ARG A 30 13.171 10.313 0.595 1.00 0.00 C ATOM 423 NH1 ARG A 30 13.461 9.177 1.214 1.00 0.00 N ATOM 424 NH2 ARG A 30 14.062 11.295 0.568 1.00 0.00 N ATOM 0 H ARG A 30 9.854 7.358 1.136 1.00 0.00 H new ATOM 0 HA ARG A 30 8.461 9.542 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.747 8.072 -0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.563 9.362 -0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.575 10.352 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.398 10.889 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.916 8.948 0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.215 8.675 -0.748 1.00 0.00 H new ATOM 0 HE ARG A 30 11.801 11.353 -0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.778 8.419 1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.367 9.061 1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.842 12.170 0.092 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.967 11.175 1.023 1.00 0.00 H new ATOM 438 N ILE A 31 6.409 7.063 1.255 1.00 0.00 N ATOM 439 CA ILE A 31 5.036 6.599 1.407 1.00 0.00 C ATOM 440 C ILE A 31 4.738 6.231 2.857 1.00 0.00 C ATOM 441 O ILE A 31 3.730 6.657 3.421 1.00 0.00 O ATOM 442 CB ILE A 31 4.751 5.379 0.511 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.644 5.809 -0.953 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.476 4.680 0.958 1.00 0.00 C ATOM 445 CD1 ILE A 31 4.657 4.651 -1.926 1.00 0.00 C ATOM 0 H ILE A 31 7.058 6.354 0.913 1.00 0.00 H new ATOM 0 HA ILE A 31 4.389 7.422 1.102 1.00 0.00 H new ATOM 0 HB ILE A 31 5.579 4.676 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.724 6.378 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.471 6.479 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.288 3.820 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.587 4.345 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.638 5.374 0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.578 5.031 -2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.588 4.095 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.814 3.992 -1.718 1.00 0.00 H new ATOM 457 N ILE A 32 5.622 5.439 3.454 1.00 0.00 N ATOM 458 CA ILE A 32 5.455 5.017 4.839 1.00 0.00 C ATOM 459 C ILE A 32 5.061 6.191 5.729 1.00 0.00 C ATOM 460 O ILE A 32 4.090 6.116 6.480 1.00 0.00 O ATOM 461 CB ILE A 32 6.743 4.378 5.392 1.00 0.00 C ATOM 462 CG1 ILE A 32 7.069 3.093 4.628 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.597 4.093 6.879 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.521 2.681 4.732 1.00 0.00 C ATOM 0 H ILE A 32 6.461 5.077 3.001 1.00 0.00 H new ATOM 0 HA ILE A 32 4.657 4.274 4.848 1.00 0.00 H new ATOM 0 HB ILE A 32 7.566 5.079 5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.442 2.286 5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.813 3.229 3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.515 3.642 7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.407 5.025 7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.764 3.408 7.038 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.680 1.763 4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.153 3.471 4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.777 2.512 5.778 1.00 0.00 H new ATOM 476 N GLY A 33 5.822 7.278 5.636 1.00 0.00 N ATOM 477 CA GLY A 33 5.535 8.454 6.437 1.00 0.00 C ATOM 478 C GLY A 33 6.457 8.579 7.633 1.00 0.00 C ATOM 479 O GLY A 33 6.931 7.577 8.168 1.00 0.00 O ATOM 0 H GLY A 33 6.631 7.365 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.628 9.345 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.502 8.412 6.781 1.00 0.00 H new ATOM 483 N ALA A 34 6.714 9.814 8.053 1.00 0.00 N ATOM 484 CA ALA A 34 7.585 10.066 9.194 1.00 0.00 C ATOM 485 C ALA A 34 7.316 9.075 10.321 1.00 0.00 C ATOM 486 O ALA A 34 8.180 8.274 10.676 1.00 0.00 O ATOM 487 CB ALA A 34 7.405 11.494 9.690 1.00 0.00 C ATOM 0 H ALA A 34 6.331 10.655 7.620 1.00 0.00 H new ATOM 0 HA ALA A 34 8.617 9.933 8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.061 11.669 10.542 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.655 12.191 8.890 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.369 11.646 9.993 1.00 0.00 H new ATOM 493 N ARG A 35 6.112 9.135 10.881 1.00 0.00 N ATOM 494 CA ARG A 35 5.729 8.244 11.969 1.00 0.00 C ATOM 495 C ARG A 35 4.775 7.160 11.474 1.00 0.00 C ATOM 496 O ARG A 35 3.994 6.607 12.247 1.00 0.00 O ATOM 497 CB ARG A 35 5.074 9.037 13.101 1.00 0.00 C ATOM 498 CG ARG A 35 4.966 8.263 14.404 1.00 0.00 C ATOM 499 CD ARG A 35 4.654 9.183 15.574 1.00 0.00 C ATOM 500 NE ARG A 35 5.758 10.095 15.863 1.00 0.00 N ATOM 501 CZ ARG A 35 5.793 10.893 16.924 1.00 0.00 C ATOM 502 NH1 ARG A 35 4.791 10.893 17.792 1.00 0.00 N ATOM 503 NH2 ARG A 35 6.833 11.695 17.119 1.00 0.00 N ATOM 0 H ARG A 35 5.385 9.792 10.599 1.00 0.00 H new ATOM 0 HA ARG A 35 6.632 7.765 12.347 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.648 9.947 13.275 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.077 9.345 12.788 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.186 7.507 14.316 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.901 7.735 14.594 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.756 9.760 15.352 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.438 8.584 16.459 1.00 0.00 H new ATOM 0 HE ARG A 35 6.545 10.120 15.215 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.990 10.279 17.646 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.821 11.507 18.606 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.606 11.699 16.454 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.859 12.308 17.934 1.00 0.00 H new ATOM 517 N GLY A 36 4.845 6.863 10.180 1.00 0.00 N ATOM 518 CA GLY A 36 3.982 5.848 9.605 1.00 0.00 C ATOM 519 C GLY A 36 2.544 6.312 9.480 1.00 0.00 C ATOM 520 O GLY A 36 1.614 5.510 9.572 1.00 0.00 O ATOM 0 H GLY A 36 5.484 7.307 9.520 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.358 5.571 8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.019 4.951 10.224 1.00 0.00 H new ATOM 524 N LYS A 37 2.359 7.611 9.272 1.00 0.00 N ATOM 525 CA LYS A 37 1.025 8.183 9.135 1.00 0.00 C ATOM 526 C LYS A 37 0.604 8.236 7.670 1.00 0.00 C ATOM 527 O LYS A 37 -0.572 8.071 7.346 1.00 0.00 O ATOM 528 CB LYS A 37 0.984 9.588 9.740 1.00 0.00 C ATOM 529 CG LYS A 37 1.608 10.650 8.852 1.00 0.00 C ATOM 530 CD LYS A 37 2.144 11.815 9.668 1.00 0.00 C ATOM 531 CE LYS A 37 1.073 12.868 9.906 1.00 0.00 C ATOM 532 NZ LYS A 37 1.416 13.760 11.048 1.00 0.00 N ATOM 0 H LYS A 37 3.118 8.289 9.195 1.00 0.00 H new ATOM 0 HA LYS A 37 0.326 7.543 9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.053 9.858 9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.503 9.577 10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.417 10.209 8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.866 11.013 8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.516 11.450 10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.990 12.266 9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.945 13.466 9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.119 12.378 10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.661 14.464 11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.513 13.193 11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.313 14.247 10.851 1.00 0.00 H new ATOM 546 N ALA A 38 1.571 8.467 6.789 1.00 0.00 N ATOM 547 CA ALA A 38 1.301 8.538 5.358 1.00 0.00 C ATOM 548 C ALA A 38 0.715 7.228 4.844 1.00 0.00 C ATOM 549 O ALA A 38 -0.097 7.221 3.918 1.00 0.00 O ATOM 550 CB ALA A 38 2.572 8.885 4.597 1.00 0.00 C ATOM 0 H ALA A 38 2.549 8.608 7.041 1.00 0.00 H new ATOM 0 HA ALA A 38 0.565 9.325 5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.355 8.935 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.947 9.851 4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.326 8.119 4.779 1.00 0.00 H new ATOM 556 N ILE A 39 1.132 6.121 5.449 1.00 0.00 N ATOM 557 CA ILE A 39 0.648 4.805 5.052 1.00 0.00 C ATOM 558 C ILE A 39 -0.656 4.460 5.765 1.00 0.00 C ATOM 559 O ILE A 39 -1.520 3.785 5.206 1.00 0.00 O ATOM 560 CB ILE A 39 1.688 3.708 5.350 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.206 2.359 4.815 1.00 0.00 C ATOM 562 CG2 ILE A 39 1.956 3.626 6.846 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.467 2.166 3.338 1.00 0.00 C ATOM 0 H ILE A 39 1.804 6.109 6.216 1.00 0.00 H new ATOM 0 HA ILE A 39 0.472 4.845 3.977 1.00 0.00 H new ATOM 0 HB ILE A 39 2.620 3.965 4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.698 1.560 5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.136 2.264 5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.693 2.847 7.041 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.338 4.583 7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.030 3.389 7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.099 1.188 3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.952 2.943 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.538 2.228 3.147 1.00 0.00 H new ATOM 575 N ARG A 40 -0.790 4.931 7.000 1.00 0.00 N ATOM 576 CA ARG A 40 -1.989 4.673 7.789 1.00 0.00 C ATOM 577 C ARG A 40 -3.242 5.089 7.025 1.00 0.00 C ATOM 578 O ARG A 40 -4.199 4.322 6.916 1.00 0.00 O ATOM 579 CB ARG A 40 -1.919 5.423 9.121 1.00 0.00 C ATOM 580 CG ARG A 40 -2.924 4.931 10.150 1.00 0.00 C ATOM 581 CD ARG A 40 -2.452 3.651 10.823 1.00 0.00 C ATOM 582 NE ARG A 40 -3.475 3.081 11.695 1.00 0.00 N ATOM 583 CZ ARG A 40 -3.206 2.266 12.708 1.00 0.00 C ATOM 584 NH1 ARG A 40 -1.953 1.927 12.976 1.00 0.00 N ATOM 585 NH2 ARG A 40 -4.193 1.788 13.457 1.00 0.00 N ATOM 0 H ARG A 40 -0.084 5.493 7.476 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.042 3.602 7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.914 5.325 9.531 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.087 6.485 8.940 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.082 5.703 10.904 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.885 4.756 9.667 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.177 2.921 10.061 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.554 3.858 11.405 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.450 3.322 11.516 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.192 2.292 12.403 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.750 1.301 13.755 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.159 2.047 13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.986 1.162 14.235 1.00 0.00 H new ATOM 599 N LYS A 41 -3.231 6.309 6.498 1.00 0.00 N ATOM 600 CA LYS A 41 -4.365 6.827 5.744 1.00 0.00 C ATOM 601 C LYS A 41 -4.669 5.941 4.540 1.00 0.00 C ATOM 602 O LYS A 41 -5.828 5.632 4.262 1.00 0.00 O ATOM 603 CB LYS A 41 -4.084 8.258 5.278 1.00 0.00 C ATOM 604 CG LYS A 41 -2.981 8.353 4.238 1.00 0.00 C ATOM 605 CD LYS A 41 -2.714 9.795 3.839 1.00 0.00 C ATOM 606 CE LYS A 41 -1.999 9.879 2.499 1.00 0.00 C ATOM 607 NZ LYS A 41 -1.420 11.230 2.263 1.00 0.00 N ATOM 0 H LYS A 41 -2.448 6.957 6.580 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.235 6.829 6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.999 8.683 4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.812 8.865 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.068 7.909 4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.260 7.776 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.657 10.339 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.110 10.280 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.205 9.133 2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.699 9.639 1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.942 11.246 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.180 11.940 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.733 11.449 3.013 1.00 0.00 H new ATOM 621 N ILE A 42 -3.622 5.534 3.831 1.00 0.00 N ATOM 622 CA ILE A 42 -3.778 4.681 2.660 1.00 0.00 C ATOM 623 C ILE A 42 -4.467 3.370 3.022 1.00 0.00 C ATOM 624 O ILE A 42 -5.384 2.928 2.331 1.00 0.00 O ATOM 625 CB ILE A 42 -2.419 4.369 2.005 1.00 0.00 C ATOM 626 CG1 ILE A 42 -1.804 5.644 1.424 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.582 3.313 0.923 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.350 5.491 1.035 1.00 0.00 C ATOM 0 H ILE A 42 -2.656 5.781 4.047 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.397 5.230 1.951 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.746 3.978 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.376 5.947 0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.893 6.447 2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.613 3.104 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.982 2.399 1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.269 3.678 0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.020 6.433 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.235 5.218 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.256 4.711 0.280 1.00 0.00 H new ATOM 640 N MET A 43 -4.019 2.754 4.112 1.00 0.00 N ATOM 641 CA MET A 43 -4.596 1.494 4.568 1.00 0.00 C ATOM 642 C MET A 43 -6.081 1.656 4.876 1.00 0.00 C ATOM 643 O MET A 43 -6.913 0.896 4.381 1.00 0.00 O ATOM 644 CB MET A 43 -3.857 0.991 5.810 1.00 0.00 C ATOM 645 CG MET A 43 -2.528 0.322 5.497 1.00 0.00 C ATOM 646 SD MET A 43 -1.861 -0.588 6.903 1.00 0.00 S ATOM 647 CE MET A 43 -0.447 0.428 7.324 1.00 0.00 C ATOM 0 H MET A 43 -3.260 3.106 4.695 1.00 0.00 H new ATOM 0 HA MET A 43 -4.487 0.762 3.768 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.682 1.830 6.484 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.494 0.284 6.341 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.658 -0.360 4.656 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.809 1.079 5.185 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.199 0.288 8.376 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.405 0.139 6.708 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.686 1.476 7.144 1.00 0.00 H new ATOM 657 N ASP A 44 -6.405 2.649 5.696 1.00 0.00 N ATOM 658 CA ASP A 44 -7.791 2.910 6.070 1.00 0.00 C ATOM 659 C ASP A 44 -8.629 3.251 4.842 1.00 0.00 C ATOM 660 O ASP A 44 -9.813 2.920 4.776 1.00 0.00 O ATOM 661 CB ASP A 44 -7.861 4.053 7.084 1.00 0.00 C ATOM 662 CG ASP A 44 -7.349 3.645 8.452 1.00 0.00 C ATOM 663 OD1 ASP A 44 -6.461 2.770 8.516 1.00 0.00 O ATOM 664 OD2 ASP A 44 -7.837 4.201 9.458 1.00 0.00 O ATOM 0 H ASP A 44 -5.728 3.287 6.115 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.196 2.006 6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.276 4.897 6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.892 4.394 7.172 1.00 0.00 H new ATOM 669 N GLU A 45 -8.008 3.915 3.872 1.00 0.00 N ATOM 670 CA GLU A 45 -8.698 4.302 2.648 1.00 0.00 C ATOM 671 C GLU A 45 -9.358 3.093 1.990 1.00 0.00 C ATOM 672 O GLU A 45 -10.558 3.099 1.718 1.00 0.00 O ATOM 673 CB GLU A 45 -7.721 4.959 1.671 1.00 0.00 C ATOM 674 CG GLU A 45 -8.389 5.519 0.426 1.00 0.00 C ATOM 675 CD GLU A 45 -9.391 6.612 0.744 1.00 0.00 C ATOM 676 OE1 GLU A 45 -9.066 7.493 1.567 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.500 6.587 0.170 1.00 0.00 O ATOM 0 H GLU A 45 -7.028 4.196 3.911 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.475 5.020 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.194 5.764 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.971 4.226 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.626 5.914 -0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.893 4.712 -0.105 1.00 0.00 H new ATOM 684 N PHE A 46 -8.563 2.059 1.736 1.00 0.00 N ATOM 685 CA PHE A 46 -9.068 0.843 1.109 1.00 0.00 C ATOM 686 C PHE A 46 -9.232 -0.272 2.137 1.00 0.00 C ATOM 687 O PHE A 46 -9.511 -1.419 1.788 1.00 0.00 O ATOM 688 CB PHE A 46 -8.124 0.389 -0.006 1.00 0.00 C ATOM 689 CG PHE A 46 -7.690 1.504 -0.915 1.00 0.00 C ATOM 690 CD1 PHE A 46 -6.631 2.327 -0.567 1.00 0.00 C ATOM 691 CD2 PHE A 46 -8.342 1.729 -2.117 1.00 0.00 C ATOM 692 CE1 PHE A 46 -6.229 3.353 -1.401 1.00 0.00 C ATOM 693 CE2 PHE A 46 -7.944 2.753 -2.955 1.00 0.00 C ATOM 694 CZ PHE A 46 -6.887 3.567 -2.596 1.00 0.00 C ATOM 0 H PHE A 46 -7.567 2.039 1.955 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.046 1.064 0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.242 -0.070 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.618 -0.381 -0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.114 2.165 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.170 1.097 -2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.401 3.987 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.459 2.917 -3.890 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.576 4.369 -3.249 1.00 0.00 H new ATOM 704 N LYS A 47 -9.056 0.073 3.408 1.00 0.00 N ATOM 705 CA LYS A 47 -9.185 -0.897 4.490 1.00 0.00 C ATOM 706 C LYS A 47 -8.282 -2.103 4.249 1.00 0.00 C ATOM 707 O LYS A 47 -8.652 -3.237 4.552 1.00 0.00 O ATOM 708 CB LYS A 47 -10.639 -1.353 4.623 1.00 0.00 C ATOM 709 CG LYS A 47 -11.590 -0.242 5.034 1.00 0.00 C ATOM 710 CD LYS A 47 -11.472 0.074 6.515 1.00 0.00 C ATOM 711 CE LYS A 47 -12.422 1.188 6.925 1.00 0.00 C ATOM 712 NZ LYS A 47 -12.000 2.507 6.376 1.00 0.00 N ATOM 0 H LYS A 47 -8.823 1.018 3.715 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.877 -0.414 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.969 -1.769 3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.693 -2.156 5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.377 0.654 4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.614 -0.535 4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.687 -0.822 7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.447 0.365 6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.428 0.954 6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.467 1.245 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.741 3.142 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.180 2.376 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.784 2.925 5.836 1.00 0.00 H new ATOM 726 N VAL A 48 -7.097 -1.850 3.703 1.00 0.00 N ATOM 727 CA VAL A 48 -6.141 -2.915 3.424 1.00 0.00 C ATOM 728 C VAL A 48 -4.951 -2.848 4.373 1.00 0.00 C ATOM 729 O VAL A 48 -4.817 -1.903 5.151 1.00 0.00 O ATOM 730 CB VAL A 48 -5.631 -2.845 1.972 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.788 -2.967 0.992 1.00 0.00 C ATOM 732 CG2 VAL A 48 -4.859 -1.555 1.741 1.00 0.00 C ATOM 0 H VAL A 48 -6.776 -0.917 3.445 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.666 -3.859 3.572 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.954 -3.682 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.408 -2.915 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.294 -3.921 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.493 -2.152 1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.506 -1.522 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.511 -0.702 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.006 -1.515 2.418 1.00 0.00 H new ATOM 742 N ASP A 49 -4.088 -3.855 4.305 1.00 0.00 N ATOM 743 CA ASP A 49 -2.906 -3.910 5.157 1.00 0.00 C ATOM 744 C ASP A 49 -1.634 -3.986 4.319 1.00 0.00 C ATOM 745 O ASP A 49 -1.325 -5.025 3.736 1.00 0.00 O ATOM 746 CB ASP A 49 -2.985 -5.114 6.097 1.00 0.00 C ATOM 747 CG ASP A 49 -1.680 -5.366 6.827 1.00 0.00 C ATOM 748 OD1 ASP A 49 -0.867 -4.423 6.930 1.00 0.00 O ATOM 749 OD2 ASP A 49 -1.472 -6.504 7.295 1.00 0.00 O ATOM 0 H ASP A 49 -4.185 -4.646 3.668 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.874 -2.996 5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.780 -4.951 6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.255 -6.001 5.524 1.00 0.00 H new ATOM 754 N ILE A 50 -0.902 -2.878 4.263 1.00 0.00 N ATOM 755 CA ILE A 50 0.336 -2.820 3.496 1.00 0.00 C ATOM 756 C ILE A 50 1.538 -3.172 4.365 1.00 0.00 C ATOM 757 O ILE A 50 1.943 -2.393 5.228 1.00 0.00 O ATOM 758 CB ILE A 50 0.552 -1.424 2.882 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.673 -1.005 2.068 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.801 -1.415 2.013 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.676 0.459 1.689 1.00 0.00 C ATOM 0 H ILE A 50 -1.145 -2.009 4.739 1.00 0.00 H new ATOM 0 HA ILE A 50 0.245 -3.552 2.693 1.00 0.00 H new ATOM 0 HB ILE A 50 0.690 -0.706 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.719 -1.607 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.573 -1.225 2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.940 -0.422 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.668 -1.674 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.690 -2.143 1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.574 0.684 1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.662 1.069 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.206 0.681 1.088 1.00 0.00 H new ATOM 773 N ARG A 51 2.106 -4.351 4.130 1.00 0.00 N ATOM 774 CA ARG A 51 3.263 -4.807 4.891 1.00 0.00 C ATOM 775 C ARG A 51 4.546 -4.639 4.083 1.00 0.00 C ATOM 776 O ARG A 51 4.779 -5.358 3.111 1.00 0.00 O ATOM 777 CB ARG A 51 3.090 -6.272 5.294 1.00 0.00 C ATOM 778 CG ARG A 51 3.916 -6.673 6.506 1.00 0.00 C ATOM 779 CD ARG A 51 3.216 -6.302 7.804 1.00 0.00 C ATOM 780 NE ARG A 51 3.890 -6.867 8.970 1.00 0.00 N ATOM 781 CZ ARG A 51 3.338 -6.939 10.175 1.00 0.00 C ATOM 782 NH1 ARG A 51 2.108 -6.485 10.373 1.00 0.00 N ATOM 783 NH2 ARG A 51 4.015 -7.467 11.187 1.00 0.00 N ATOM 0 H ARG A 51 1.784 -5.007 3.419 1.00 0.00 H new ATOM 0 HA ARG A 51 3.338 -4.196 5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.037 -6.460 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.365 -6.907 4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.099 -7.747 6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.889 -6.183 6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.178 -5.217 7.898 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.185 -6.656 7.774 1.00 0.00 H new ATOM 0 HE ARG A 51 4.837 -7.226 8.852 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.583 -6.079 9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.687 -6.542 11.300 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.961 -7.818 11.040 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.589 -7.521 12.112 1.00 0.00 H new ATOM 797 N PHE A 52 5.375 -3.684 4.490 1.00 0.00 N ATOM 798 CA PHE A 52 6.634 -3.420 3.803 1.00 0.00 C ATOM 799 C PHE A 52 7.664 -4.500 4.121 1.00 0.00 C ATOM 800 O PHE A 52 7.586 -5.187 5.140 1.00 0.00 O ATOM 801 CB PHE A 52 7.179 -2.047 4.201 1.00 0.00 C ATOM 802 CG PHE A 52 6.559 -0.911 3.438 1.00 0.00 C ATOM 803 CD1 PHE A 52 5.350 -0.367 3.840 1.00 0.00 C ATOM 804 CD2 PHE A 52 7.185 -0.388 2.318 1.00 0.00 C ATOM 805 CE1 PHE A 52 4.777 0.677 3.139 1.00 0.00 C ATOM 806 CE2 PHE A 52 6.617 0.656 1.613 1.00 0.00 C ATOM 807 CZ PHE A 52 5.412 1.190 2.025 1.00 0.00 C ATOM 0 H PHE A 52 5.198 -3.080 5.292 1.00 0.00 H new ATOM 0 HA PHE A 52 6.442 -3.430 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.010 -1.893 5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.258 -2.034 4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.850 -0.763 4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.128 -0.801 1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.833 1.091 3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.115 1.054 0.741 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.967 2.007 1.477 1.00 0.00 H new ATOM 817 N PRO A 53 8.653 -4.655 3.229 1.00 0.00 N ATOM 818 CA PRO A 53 9.718 -5.649 3.392 1.00 0.00 C ATOM 819 C PRO A 53 10.669 -5.299 4.531 1.00 0.00 C ATOM 820 O PRO A 53 11.301 -4.243 4.521 1.00 0.00 O ATOM 821 CB PRO A 53 10.453 -5.605 2.050 1.00 0.00 C ATOM 822 CG PRO A 53 10.187 -4.240 1.517 1.00 0.00 C ATOM 823 CD PRO A 53 8.809 -3.871 1.992 1.00 0.00 C ATOM 0 HA PRO A 53 9.322 -6.632 3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.521 -5.779 2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.084 -6.374 1.371 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.928 -3.528 1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.240 -4.229 0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.722 -2.801 2.181 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.048 -4.127 1.255 1.00 0.00 H new ATOM 831 N GLN A 54 10.766 -6.192 5.511 1.00 0.00 N ATOM 832 CA GLN A 54 11.640 -5.975 6.658 1.00 0.00 C ATOM 833 C GLN A 54 13.106 -6.093 6.254 1.00 0.00 C ATOM 834 O GLN A 54 13.421 -6.463 5.123 1.00 0.00 O ATOM 835 CB GLN A 54 11.322 -6.981 7.765 1.00 0.00 C ATOM 836 CG GLN A 54 9.937 -6.805 8.367 1.00 0.00 C ATOM 837 CD GLN A 54 9.889 -5.708 9.412 1.00 0.00 C ATOM 838 OE1 GLN A 54 9.169 -4.721 9.260 1.00 0.00 O ATOM 839 NE2 GLN A 54 10.659 -5.875 10.481 1.00 0.00 N ATOM 0 H GLN A 54 10.251 -7.072 5.534 1.00 0.00 H new ATOM 0 HA GLN A 54 11.464 -4.966 7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.409 -7.990 7.363 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.067 -6.887 8.555 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.226 -6.576 7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.619 -7.745 8.818 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.240 -6.709 10.566 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.669 -5.169 11.217 1.00 0.00 H new ATOM 848 N SER A 55 13.999 -5.774 7.186 1.00 0.00 N ATOM 849 CA SER A 55 15.432 -5.840 6.926 1.00 0.00 C ATOM 850 C SER A 55 15.845 -7.249 6.511 1.00 0.00 C ATOM 851 O SER A 55 16.950 -7.463 6.014 1.00 0.00 O ATOM 852 CB SER A 55 16.217 -5.410 8.167 1.00 0.00 C ATOM 853 OG SER A 55 15.854 -4.102 8.572 1.00 0.00 O ATOM 0 H SER A 55 13.755 -5.467 8.128 1.00 0.00 H new ATOM 0 HA SER A 55 15.660 -5.158 6.107 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.030 -6.111 8.980 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.286 -5.445 7.955 1.00 0.00 H new ATOM 0 HG SER A 55 16.368 -3.851 9.368 1.00 0.00 H new ATOM 859 N GLY A 56 14.948 -8.207 6.721 1.00 0.00 N ATOM 860 CA GLY A 56 15.236 -9.584 6.365 1.00 0.00 C ATOM 861 C GLY A 56 14.274 -10.129 5.328 1.00 0.00 C ATOM 862 O GLY A 56 14.119 -11.342 5.191 1.00 0.00 O ATOM 0 H GLY A 56 14.027 -8.054 7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.254 -9.652 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.190 -10.204 7.260 1.00 0.00 H new ATOM 866 N ALA A 57 13.623 -9.229 4.597 1.00 0.00 N ATOM 867 CA ALA A 57 12.671 -9.626 3.567 1.00 0.00 C ATOM 868 C ALA A 57 13.385 -9.997 2.272 1.00 0.00 C ATOM 869 O ALA A 57 14.439 -9.454 1.939 1.00 0.00 O ATOM 870 CB ALA A 57 11.667 -8.510 3.318 1.00 0.00 C ATOM 0 H ALA A 57 13.738 -8.221 4.699 1.00 0.00 H new ATOM 0 HA ALA A 57 12.137 -10.508 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.962 -8.820 2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.125 -8.296 4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.193 -7.614 2.990 1.00 0.00 H new ATOM 876 N PRO A 58 12.801 -10.944 1.523 1.00 0.00 N ATOM 877 CA PRO A 58 13.365 -11.408 0.252 1.00 0.00 C ATOM 878 C PRO A 58 13.276 -10.350 -0.842 1.00 0.00 C ATOM 879 O PRO A 58 14.051 -10.367 -1.799 1.00 0.00 O ATOM 880 CB PRO A 58 12.495 -12.617 -0.101 1.00 0.00 C ATOM 881 CG PRO A 58 11.201 -12.369 0.593 1.00 0.00 C ATOM 882 CD PRO A 58 11.544 -11.634 1.859 1.00 0.00 C ATOM 0 HA PRO A 58 14.427 -11.640 0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.356 -12.703 -1.179 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.953 -13.546 0.237 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.530 -11.779 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.690 -13.306 0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.761 -10.929 2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.673 -12.318 2.698 1.00 0.00 H new ATOM 890 N ASP A 59 12.329 -9.431 -0.694 1.00 0.00 N ATOM 891 CA ASP A 59 12.141 -8.363 -1.670 1.00 0.00 C ATOM 892 C ASP A 59 12.083 -7.003 -0.983 1.00 0.00 C ATOM 893 O ASP A 59 11.019 -6.520 -0.596 1.00 0.00 O ATOM 894 CB ASP A 59 10.860 -8.598 -2.473 1.00 0.00 C ATOM 895 CG ASP A 59 11.063 -9.576 -3.613 1.00 0.00 C ATOM 896 OD1 ASP A 59 11.254 -10.779 -3.337 1.00 0.00 O ATOM 897 OD2 ASP A 59 11.029 -9.139 -4.783 1.00 0.00 O ATOM 0 H ASP A 59 11.679 -9.403 0.092 1.00 0.00 H new ATOM 0 HA ASP A 59 12.993 -8.370 -2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.082 -8.975 -1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.505 -7.648 -2.872 1.00 0.00 H new ATOM 902 N PRO A 60 13.255 -6.369 -0.824 1.00 0.00 N ATOM 903 CA PRO A 60 13.364 -5.056 -0.183 1.00 0.00 C ATOM 904 C PRO A 60 12.765 -3.942 -1.035 1.00 0.00 C ATOM 905 O PRO A 60 12.794 -2.773 -0.654 1.00 0.00 O ATOM 906 CB PRO A 60 14.875 -4.860 -0.031 1.00 0.00 C ATOM 907 CG PRO A 60 15.475 -5.701 -1.104 1.00 0.00 C ATOM 908 CD PRO A 60 14.563 -6.886 -1.261 1.00 0.00 C ATOM 0 HA PRO A 60 12.818 -5.016 0.760 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.152 -3.812 -0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.218 -5.173 0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.555 -5.144 -2.037 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.483 -6.017 -0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.533 -7.236 -2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.888 -7.727 -0.649 1.00 0.00 H new ATOM 916 N ASN A 61 12.222 -4.314 -2.190 1.00 0.00 N ATOM 917 CA ASN A 61 11.616 -3.346 -3.096 1.00 0.00 C ATOM 918 C ASN A 61 10.174 -3.728 -3.416 1.00 0.00 C ATOM 919 O ASN A 61 9.546 -3.139 -4.296 1.00 0.00 O ATOM 920 CB ASN A 61 12.429 -3.249 -4.389 1.00 0.00 C ATOM 921 CG ASN A 61 13.922 -3.345 -4.143 1.00 0.00 C ATOM 922 OD1 ASN A 61 14.407 -2.604 -3.154 1.00 0.00 O flip ATOM 923 ND2 ASN A 61 14.630 -4.078 -4.834 1.00 0.00 N flip ATOM 0 H ASN A 61 12.190 -5.279 -2.520 1.00 0.00 H new ATOM 0 HA ASN A 61 11.614 -2.375 -2.602 1.00 0.00 H new ATOM 0 HB2 ASN A 61 12.124 -4.046 -5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.206 -2.305 -4.885 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.214 -4.630 -5.584 1.00 0.00 H new ATOM 0 HD22 ASN A 61 15.633 -4.133 -4.656 1.00 0.00 H new ATOM 930 N CYS A 62 9.657 -4.716 -2.695 1.00 0.00 N ATOM 931 CA CYS A 62 8.288 -5.178 -2.901 1.00 0.00 C ATOM 932 C CYS A 62 7.517 -5.197 -1.585 1.00 0.00 C ATOM 933 O CYS A 62 8.067 -5.530 -0.536 1.00 0.00 O ATOM 934 CB CYS A 62 8.288 -6.573 -3.527 1.00 0.00 C ATOM 935 SG CYS A 62 6.794 -6.957 -4.472 1.00 0.00 S ATOM 0 H CYS A 62 10.164 -5.213 -1.963 1.00 0.00 H new ATOM 0 HA CYS A 62 7.794 -4.483 -3.580 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.154 -6.666 -4.183 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.406 -7.314 -2.737 1.00 0.00 H new ATOM 0 HG CYS A 62 6.801 -8.214 -4.803 1.00 0.00 H new ATOM 941 N VAL A 63 6.239 -4.836 -1.649 1.00 0.00 N ATOM 942 CA VAL A 63 5.392 -4.811 -0.463 1.00 0.00 C ATOM 943 C VAL A 63 4.284 -5.855 -0.557 1.00 0.00 C ATOM 944 O VAL A 63 3.891 -6.263 -1.650 1.00 0.00 O ATOM 945 CB VAL A 63 4.758 -3.423 -0.255 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.812 -2.332 -0.365 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.636 -3.194 -1.257 1.00 0.00 C ATOM 0 H VAL A 63 5.768 -4.557 -2.510 1.00 0.00 H new ATOM 0 HA VAL A 63 6.033 -5.041 0.388 1.00 0.00 H new ATOM 0 HB VAL A 63 4.333 -3.384 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.345 -1.359 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.578 -2.488 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.270 -2.367 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.199 -2.208 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.035 -3.253 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.869 -3.957 -1.125 1.00 0.00 H new ATOM 957 N THR A 64 3.783 -6.283 0.597 1.00 0.00 N ATOM 958 CA THR A 64 2.720 -7.280 0.646 1.00 0.00 C ATOM 959 C THR A 64 1.409 -6.663 1.119 1.00 0.00 C ATOM 960 O THR A 64 1.203 -6.461 2.316 1.00 0.00 O ATOM 961 CB THR A 64 3.090 -8.450 1.577 1.00 0.00 C ATOM 962 OG1 THR A 64 4.277 -9.097 1.104 1.00 0.00 O ATOM 963 CG2 THR A 64 1.954 -9.459 1.656 1.00 0.00 C ATOM 0 H THR A 64 4.096 -5.955 1.511 1.00 0.00 H new ATOM 0 HA THR A 64 2.594 -7.659 -0.368 1.00 0.00 H new ATOM 0 HB THR A 64 3.269 -8.048 2.574 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.506 -9.838 1.703 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.238 -10.276 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.060 -8.971 2.044 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.748 -9.854 0.661 1.00 0.00 H new ATOM 971 N VAL A 65 0.524 -6.366 0.173 1.00 0.00 N ATOM 972 CA VAL A 65 -0.769 -5.774 0.494 1.00 0.00 C ATOM 973 C VAL A 65 -1.830 -6.849 0.698 1.00 0.00 C ATOM 974 O VAL A 65 -2.005 -7.733 -0.141 1.00 0.00 O ATOM 975 CB VAL A 65 -1.235 -4.811 -0.614 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.612 -4.251 -0.290 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.225 -3.690 -0.805 1.00 0.00 C ATOM 0 H VAL A 65 0.679 -6.526 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.640 -5.215 1.421 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.306 -5.367 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.925 -3.573 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.328 -5.069 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.571 -3.709 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.570 -3.019 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.119 -3.133 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.739 -4.113 -1.087 1.00 0.00 H new ATOM 987 N THR A 66 -2.539 -6.768 1.820 1.00 0.00 N ATOM 988 CA THR A 66 -3.584 -7.733 2.135 1.00 0.00 C ATOM 989 C THR A 66 -4.968 -7.107 2.010 1.00 0.00 C ATOM 990 O THR A 66 -5.113 -5.886 2.043 1.00 0.00 O ATOM 991 CB THR A 66 -3.415 -8.298 3.559 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.024 -8.425 3.874 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.096 -9.652 3.688 1.00 0.00 C ATOM 0 H THR A 66 -2.408 -6.043 2.526 1.00 0.00 H new ATOM 0 HA THR A 66 -3.491 -8.546 1.415 1.00 0.00 H new ATOM 0 HB THR A 66 -3.883 -7.606 4.259 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.925 -8.783 4.781 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.963 -10.031 4.701 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.160 -9.546 3.477 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.653 -10.351 2.978 1.00 0.00 H new ATOM 1001 N GLY A 67 -5.984 -7.952 1.866 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.344 -7.462 1.738 1.00 0.00 C ATOM 1003 C GLY A 67 -8.055 -8.033 0.527 1.00 0.00 C ATOM 1004 O GLY A 67 -7.429 -8.651 -0.335 1.00 0.00 O ATOM 0 H GLY A 67 -5.890 -8.967 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.904 -7.716 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.330 -6.374 1.668 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.365 -7.826 0.460 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.163 -8.326 -0.655 1.00 0.00 C ATOM 1010 C LEU A 68 -9.504 -7.990 -1.989 1.00 0.00 C ATOM 1011 O LEU A 68 -8.783 -7.002 -2.122 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.572 -7.734 -0.605 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.425 -8.131 0.601 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.144 -9.570 1.003 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -12.168 -7.189 1.769 1.00 0.00 C ATOM 0 H LEU A 68 -9.898 -7.315 1.164 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.228 -9.410 -0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.489 -6.647 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.101 -8.029 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.475 -8.052 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.760 -9.835 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.379 -10.233 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.091 -9.676 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.783 -7.486 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.116 -7.236 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.421 -6.170 1.477 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.759 -8.831 -3.003 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.203 -8.642 -4.346 1.00 0.00 C ATOM 1029 C PRO A 69 -9.810 -7.439 -5.061 1.00 0.00 C ATOM 1030 O PRO A 69 -9.258 -6.948 -6.045 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.576 -9.938 -5.070 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.783 -10.438 -4.353 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.610 -10.029 -2.916 1.00 0.00 C ATOM 0 HA PRO A 69 -8.131 -8.446 -4.319 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.788 -9.756 -6.124 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.763 -10.663 -5.029 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.692 -10.009 -4.774 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.870 -11.521 -4.443 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.567 -9.809 -2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.137 -10.816 -2.328 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.948 -6.970 -4.559 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.629 -5.825 -5.152 1.00 0.00 C ATOM 1043 C GLU A 70 -11.105 -4.517 -4.565 1.00 0.00 C ATOM 1044 O GLU A 70 -11.155 -3.471 -5.210 1.00 0.00 O ATOM 1045 CB GLU A 70 -13.139 -5.929 -4.927 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.538 -5.916 -3.461 1.00 0.00 C ATOM 1047 CD GLU A 70 -15.020 -6.169 -3.258 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.620 -6.882 -4.089 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.578 -5.654 -2.267 1.00 0.00 O ATOM 0 H GLU A 70 -11.417 -7.365 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.427 -5.829 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.632 -5.101 -5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.504 -6.848 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.967 -6.675 -2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.275 -4.952 -3.025 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.602 -4.587 -3.336 1.00 0.00 N ATOM 1057 CA ASN A 71 -10.070 -3.409 -2.661 1.00 0.00 C ATOM 1058 C ASN A 71 -8.573 -3.265 -2.916 1.00 0.00 C ATOM 1059 O ASN A 71 -8.065 -2.158 -3.092 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.336 -3.494 -1.156 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.809 -3.356 -0.821 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.589 -2.823 -1.610 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.195 -3.838 0.354 1.00 0.00 N ATOM 0 H ASN A 71 -10.552 -5.446 -2.788 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.575 -2.531 -3.064 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.968 -4.448 -0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.775 -2.711 -0.646 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.174 -3.775 0.635 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.513 -4.272 0.976 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.871 -4.394 -2.935 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.432 -4.395 -3.171 1.00 0.00 C ATOM 1072 C VAL A 72 -6.090 -3.702 -4.485 1.00 0.00 C ATOM 1073 O VAL A 72 -5.282 -2.773 -4.516 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.869 -5.828 -3.198 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.371 -5.809 -3.465 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -6.176 -6.545 -1.892 1.00 0.00 C ATOM 0 H VAL A 72 -8.275 -5.319 -2.790 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.976 -3.848 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.352 -6.374 -4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.991 -6.831 -3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.179 -5.336 -4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.868 -5.247 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.771 -7.556 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.722 -6.002 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.255 -6.591 -1.747 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.709 -4.159 -5.568 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.469 -3.582 -6.886 1.00 0.00 C ATOM 1088 C GLU A 73 -6.475 -2.057 -6.821 1.00 0.00 C ATOM 1089 O GLU A 73 -5.584 -1.401 -7.359 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.529 -4.065 -7.879 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.913 -3.495 -7.618 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.996 -4.213 -8.399 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.840 -5.425 -8.653 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -11.000 -3.561 -8.755 1.00 0.00 O ATOM 0 H GLU A 73 -7.380 -4.927 -5.559 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.487 -3.911 -7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.219 -3.795 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.581 -5.153 -7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.134 -3.561 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.922 -2.437 -7.880 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.485 -1.502 -6.159 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.607 -0.055 -6.025 1.00 0.00 C ATOM 1103 C GLU A 74 -6.395 0.528 -5.305 1.00 0.00 C ATOM 1104 O GLU A 74 -5.819 1.524 -5.743 1.00 0.00 O ATOM 1105 CB GLU A 74 -8.886 0.303 -5.267 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.146 -0.270 -5.894 1.00 0.00 C ATOM 1107 CD GLU A 74 -10.438 0.319 -7.260 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -9.816 -0.130 -8.245 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -11.289 1.229 -7.344 1.00 0.00 O ATOM 0 H GLU A 74 -8.230 -2.032 -5.707 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.655 0.375 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.804 -0.058 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.977 1.388 -5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.043 -1.351 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.993 -0.084 -5.234 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.014 -0.099 -4.197 1.00 0.00 N ATOM 1117 CA ALA A 75 -4.870 0.356 -3.416 1.00 0.00 C ATOM 1118 C ALA A 75 -3.609 0.414 -4.272 1.00 0.00 C ATOM 1119 O ALA A 75 -2.980 1.465 -4.398 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.655 -0.553 -2.216 1.00 0.00 C ATOM 0 H ALA A 75 -6.481 -0.924 -3.820 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.082 1.364 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.798 -0.201 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.544 -0.540 -1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.469 -1.571 -2.559 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.245 -0.722 -4.857 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.059 -0.800 -5.701 1.00 0.00 C ATOM 1128 C ILE A 76 -1.977 0.393 -6.646 1.00 0.00 C ATOM 1129 O ILE A 76 -0.993 1.134 -6.644 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.041 -2.099 -6.529 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -1.979 -3.317 -5.606 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.864 -2.097 -7.492 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.346 -4.615 -6.292 1.00 0.00 C ATOM 0 H ILE A 76 -3.754 -1.601 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.197 -0.792 -5.034 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.961 -2.154 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.972 -3.403 -5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.651 -3.158 -4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.865 -3.021 -8.070 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.949 -1.246 -8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.066 -2.022 -6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.280 -5.435 -5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.364 -4.549 -6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.658 -4.797 -7.118 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.017 0.575 -7.452 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.065 1.681 -8.401 1.00 0.00 C ATOM 1147 C ASP A 77 -2.716 2.999 -7.717 1.00 0.00 C ATOM 1148 O ASP A 77 -1.961 3.809 -8.256 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.453 1.774 -9.038 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.487 2.733 -10.212 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -4.749 3.934 -9.989 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -4.253 2.283 -11.353 1.00 0.00 O ATOM 0 H ASP A 77 -3.839 -0.029 -7.467 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.328 1.491 -9.181 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.764 0.784 -9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.174 2.098 -8.287 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.272 3.209 -6.528 1.00 0.00 N ATOM 1158 CA HIS A 78 -3.020 4.430 -5.771 1.00 0.00 C ATOM 1159 C HIS A 78 -1.585 4.461 -5.254 1.00 0.00 C ATOM 1160 O HIS A 78 -0.995 5.531 -5.098 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.999 4.541 -4.601 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.711 5.691 -3.687 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -2.661 5.928 -2.866 1.00 0.00 N flip ATOM 1164 CD2 HIS A 78 -4.559 6.769 -3.542 1.00 0.00 C flip ATOM 1165 CE1 HIS A 78 -2.892 7.133 -2.247 1.00 0.00 C flip ATOM 1166 NE2 HIS A 78 -4.044 7.619 -2.673 1.00 0.00 N flip ATOM 0 H HIS A 78 -3.900 2.550 -6.068 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.166 5.279 -6.438 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -5.011 4.644 -4.993 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.972 3.615 -4.026 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.498 6.898 -4.059 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.238 7.606 -1.529 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -4.464 8.501 -2.380 1.00 0.00 H new ATOM 1174 N ILE A 79 -1.031 3.283 -4.989 1.00 0.00 N ATOM 1175 CA ILE A 79 0.335 3.177 -4.489 1.00 0.00 C ATOM 1176 C ILE A 79 1.344 3.570 -5.562 1.00 0.00 C ATOM 1177 O ILE A 79 2.142 4.489 -5.373 1.00 0.00 O ATOM 1178 CB ILE A 79 0.647 1.749 -4.004 1.00 0.00 C ATOM 1179 CG1 ILE A 79 -0.177 1.419 -2.758 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.134 1.601 -3.717 1.00 0.00 C ATOM 1181 CD1 ILE A 79 -0.006 -0.006 -2.280 1.00 0.00 C ATOM 0 H ILE A 79 -1.506 2.389 -5.112 1.00 0.00 H new ATOM 0 HA ILE A 79 0.418 3.864 -3.647 1.00 0.00 H new ATOM 0 HB ILE A 79 0.377 1.046 -4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.106 2.099 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.231 1.598 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.339 0.587 -3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.702 1.799 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.428 2.311 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.619 -0.169 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.316 -0.693 -3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.041 -0.184 -2.035 1.00 0.00 H new ATOM 1193 N LEU A 80 1.304 2.868 -6.690 1.00 0.00 N ATOM 1194 CA LEU A 80 2.214 3.144 -7.796 1.00 0.00 C ATOM 1195 C LEU A 80 2.104 4.598 -8.242 1.00 0.00 C ATOM 1196 O LEU A 80 3.092 5.211 -8.644 1.00 0.00 O ATOM 1197 CB LEU A 80 1.915 2.214 -8.973 1.00 0.00 C ATOM 1198 CG LEU A 80 2.671 0.885 -8.987 1.00 0.00 C ATOM 1199 CD1 LEU A 80 2.057 -0.068 -10.001 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.145 1.112 -9.290 1.00 0.00 C ATOM 0 H LEU A 80 0.651 2.104 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 80 3.232 2.966 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.846 2.001 -8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.140 2.747 -9.897 1.00 0.00 H new ATOM 0 HG LEU A 80 2.590 0.433 -7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.608 -1.008 -9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.016 -0.257 -9.739 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.106 0.377 -10.995 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.667 0.155 -9.296 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.247 1.587 -10.266 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.578 1.757 -8.526 1.00 0.00 H new ATOM 1212 N ASN A 81 0.895 5.146 -8.166 1.00 0.00 N ATOM 1213 CA ASN A 81 0.656 6.529 -8.561 1.00 0.00 C ATOM 1214 C ASN A 81 1.615 7.473 -7.841 1.00 0.00 C ATOM 1215 O ASN A 81 2.245 8.329 -8.464 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.790 6.925 -8.258 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.968 8.427 -8.150 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.339 9.192 -8.882 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.828 8.857 -7.234 1.00 0.00 N ATOM 0 H ASN A 81 0.066 4.653 -7.834 1.00 0.00 H new ATOM 0 HA ASN A 81 0.831 6.610 -9.634 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.441 6.540 -9.043 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.104 6.457 -7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.989 9.857 -7.115 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.328 8.187 -6.649 1.00 0.00 H new ATOM 1226 N LEU A 82 1.721 7.311 -6.527 1.00 0.00 N ATOM 1227 CA LEU A 82 2.603 8.148 -5.721 1.00 0.00 C ATOM 1228 C LEU A 82 4.063 7.932 -6.109 1.00 0.00 C ATOM 1229 O LEU A 82 4.802 8.889 -6.337 1.00 0.00 O ATOM 1230 CB LEU A 82 2.409 7.846 -4.235 1.00 0.00 C ATOM 1231 CG LEU A 82 0.996 8.054 -3.687 1.00 0.00 C ATOM 1232 CD1 LEU A 82 0.903 7.561 -2.251 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.601 9.520 -3.775 1.00 0.00 C ATOM 0 H LEU A 82 1.207 6.607 -5.997 1.00 0.00 H new ATOM 0 HA LEU A 82 2.346 9.190 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.699 6.811 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.094 8.473 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 82 0.302 7.474 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.109 7.717 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.143 6.498 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.608 8.114 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.407 9.650 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.299 10.120 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.628 9.842 -4.816 1.00 0.00 H new ATOM 1245 N GLU A 83 4.469 6.668 -6.184 1.00 0.00 N ATOM 1246 CA GLU A 83 5.840 6.327 -6.546 1.00 0.00 C ATOM 1247 C GLU A 83 6.366 7.265 -7.628 1.00 0.00 C ATOM 1248 O GLU A 83 7.413 7.891 -7.466 1.00 0.00 O ATOM 1249 CB GLU A 83 5.918 4.878 -7.029 1.00 0.00 C ATOM 1250 CG GLU A 83 7.298 4.473 -7.520 1.00 0.00 C ATOM 1251 CD GLU A 83 7.501 4.763 -8.994 1.00 0.00 C ATOM 1252 OE1 GLU A 83 7.725 5.942 -9.341 1.00 0.00 O ATOM 1253 OE2 GLU A 83 7.436 3.813 -9.801 1.00 0.00 O ATOM 0 H GLU A 83 3.869 5.864 -5.999 1.00 0.00 H new ATOM 0 HA GLU A 83 6.462 6.440 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.623 4.216 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.198 4.733 -7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.055 5.003 -6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.446 3.408 -7.339 1.00 0.00 H new ATOM 1260 N GLU A 84 5.632 7.355 -8.733 1.00 0.00 N ATOM 1261 CA GLU A 84 6.025 8.216 -9.843 1.00 0.00 C ATOM 1262 C GLU A 84 6.208 9.657 -9.376 1.00 0.00 C ATOM 1263 O GLU A 84 7.181 10.318 -9.738 1.00 0.00 O ATOM 1264 CB GLU A 84 4.979 8.158 -10.957 1.00 0.00 C ATOM 1265 CG GLU A 84 5.206 9.180 -12.059 1.00 0.00 C ATOM 1266 CD GLU A 84 3.972 9.402 -12.912 1.00 0.00 C ATOM 1267 OE1 GLU A 84 3.319 8.405 -13.284 1.00 0.00 O ATOM 1268 OE2 GLU A 84 3.659 10.575 -13.206 1.00 0.00 O ATOM 0 H GLU A 84 4.763 6.843 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 84 6.978 7.855 -10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.980 7.159 -11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.991 8.316 -10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.511 10.127 -11.614 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.027 8.848 -12.694 1.00 0.00 H new ATOM 1275 N GLU A 85 5.266 10.136 -8.570 1.00 0.00 N ATOM 1276 CA GLU A 85 5.322 11.499 -8.055 1.00 0.00 C ATOM 1277 C GLU A 85 6.598 11.723 -7.248 1.00 0.00 C ATOM 1278 O GLU A 85 7.389 12.616 -7.551 1.00 0.00 O ATOM 1279 CB GLU A 85 4.097 11.791 -7.186 1.00 0.00 C ATOM 1280 CG GLU A 85 4.167 13.126 -6.465 1.00 0.00 C ATOM 1281 CD GLU A 85 4.189 14.305 -7.419 1.00 0.00 C ATOM 1282 OE1 GLU A 85 3.101 14.741 -7.849 1.00 0.00 O ATOM 1283 OE2 GLU A 85 5.295 14.791 -7.735 1.00 0.00 O ATOM 0 H GLU A 85 4.455 9.601 -8.260 1.00 0.00 H new ATOM 0 HA GLU A 85 5.325 12.182 -8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.205 11.772 -7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.986 10.995 -6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.310 13.219 -5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.061 13.151 -5.842 1.00 0.00 H new ATOM 1290 N TYR A 86 6.789 10.905 -6.218 1.00 0.00 N ATOM 1291 CA TYR A 86 7.966 11.015 -5.364 1.00 0.00 C ATOM 1292 C TYR A 86 9.247 10.947 -6.191 1.00 0.00 C ATOM 1293 O TYR A 86 10.004 11.916 -6.265 1.00 0.00 O ATOM 1294 CB TYR A 86 7.965 9.904 -4.313 1.00 0.00 C ATOM 1295 CG TYR A 86 6.910 10.083 -3.244 1.00 0.00 C ATOM 1296 CD1 TYR A 86 6.840 11.253 -2.499 1.00 0.00 C ATOM 1297 CD2 TYR A 86 5.984 9.081 -2.980 1.00 0.00 C ATOM 1298 CE1 TYR A 86 5.878 11.421 -1.521 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.018 9.241 -2.005 1.00 0.00 C ATOM 1300 CZ TYR A 86 4.970 10.412 -1.278 1.00 0.00 C ATOM 1301 OH TYR A 86 4.010 10.575 -0.306 1.00 0.00 O ATOM 0 H TYR A 86 6.145 10.159 -5.955 1.00 0.00 H new ATOM 0 HA TYR A 86 7.930 11.982 -4.861 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.809 8.946 -4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.946 9.862 -3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.550 12.045 -2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.020 8.162 -3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.838 12.337 -0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.304 8.453 -1.813 1.00 0.00 H new ATOM 0 HH TYR A 86 3.449 9.772 -0.262 1.00 0.00 H new ATOM 1311 N LEU A 87 9.483 9.796 -6.811 1.00 0.00 N ATOM 1312 CA LEU A 87 10.671 9.599 -7.633 1.00 0.00 C ATOM 1313 C LEU A 87 10.955 10.833 -8.484 1.00 0.00 C ATOM 1314 O LEU A 87 12.079 11.335 -8.512 1.00 0.00 O ATOM 1315 CB LEU A 87 10.496 8.375 -8.533 1.00 0.00 C ATOM 1316 CG LEU A 87 10.946 7.038 -7.943 1.00 0.00 C ATOM 1317 CD1 LEU A 87 10.475 5.884 -8.814 1.00 0.00 C ATOM 1318 CD2 LEU A 87 12.459 7.007 -7.786 1.00 0.00 C ATOM 0 H LEU A 87 8.867 8.985 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 87 11.519 9.435 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.443 8.294 -8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.049 8.546 -9.457 1.00 0.00 H new ATOM 0 HG LEU A 87 10.496 6.928 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.805 4.941 -8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.387 5.895 -8.875 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.895 5.988 -9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.762 6.048 -7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.929 7.140 -8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.772 7.811 -7.120 1.00 0.00 H new ATOM 1330 N ALA A 88 9.928 11.319 -9.173 1.00 0.00 N ATOM 1331 CA ALA A 88 10.066 12.497 -10.021 1.00 0.00 C ATOM 1332 C ALA A 88 11.031 13.505 -9.407 1.00 0.00 C ATOM 1333 O ALA A 88 11.825 14.128 -10.113 1.00 0.00 O ATOM 1334 CB ALA A 88 8.707 13.140 -10.256 1.00 0.00 C ATOM 0 H ALA A 88 8.991 10.915 -9.161 1.00 0.00 H new ATOM 0 HA ALA A 88 10.476 12.178 -10.980 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.825 14.018 -10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.046 12.425 -10.745 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.275 13.438 -9.301 1.00 0.00 H new