USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 372 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 64 LYS NZ :NH3+ -166:sc= 0.881 (180deg=-0.201) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.273 K(o=1.2,f=-8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.13) USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= 1.27 (180deg=0.0358) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0945 X(o=-0.094,f=-0.0037) USER MOD Single : A 58 ASN : amide:sc= 0.84 K(o=0.84,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc=-0.00135 X(o=-0.0014,f=-0.0014) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 77 GLN : amide:sc= 0.46 K(o=0.46,f=-3.4!) USER MOD Single : A 78 CYS SG : rot 89:sc= 0.191 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 80 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.038) USER MOD Single : A 83 GLN : amide:sc= -0.0602 K(o=-0.06,f=-1.6) USER MOD Single : A 84 LYS NZ :NH3+ -159:sc= 0.784 (180deg=0.0603) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 12.903 -8.510 -13.112 1.00 0.00 N ATOM 90 CA TRP A 43 14.075 -8.536 -13.980 1.00 0.00 C ATOM 91 C TRP A 43 13.624 -8.740 -15.428 1.00 0.00 C ATOM 92 O TRP A 43 12.442 -8.970 -15.688 1.00 0.00 O ATOM 93 CB TRP A 43 15.007 -9.673 -13.540 1.00 0.00 C ATOM 94 CG TRP A 43 15.999 -9.301 -12.483 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.767 -9.282 -11.160 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.396 -8.902 -12.635 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.892 -8.905 -10.467 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.940 -8.653 -11.334 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.267 -8.727 -13.736 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.266 -8.250 -11.141 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.606 -8.321 -13.544 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.101 -8.080 -12.250 1.00 0.00 C ATOM 0 HA TRP A 43 14.616 -7.592 -13.909 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.399 -10.500 -13.173 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.548 -10.038 -14.413 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.821 -9.530 -10.702 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.947 -8.822 -9.452 1.00 0.00 H new ATOM 0 HE3 TRP A 43 17.903 -8.906 -14.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.641 -8.072 -10.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.255 -8.195 -14.398 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.125 -7.764 -12.113 1.00 0.00 H new ATOM 113 N THR A 44 14.573 -8.656 -16.366 1.00 0.00 N ATOM 114 CA THR A 44 14.293 -8.838 -17.782 1.00 0.00 C ATOM 115 C THR A 44 15.592 -9.195 -18.501 1.00 0.00 C ATOM 116 O THR A 44 16.675 -8.854 -18.023 1.00 0.00 O ATOM 117 CB THR A 44 13.667 -7.555 -18.360 1.00 0.00 C ATOM 118 OG1 THR A 44 13.519 -7.691 -19.759 1.00 0.00 O ATOM 119 CG2 THR A 44 14.556 -6.343 -18.061 1.00 0.00 C ATOM 0 H THR A 44 15.552 -8.460 -16.159 1.00 0.00 H new ATOM 0 HA THR A 44 13.580 -9.650 -17.924 1.00 0.00 H new ATOM 0 HB THR A 44 12.692 -7.402 -17.896 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.119 -6.875 -20.126 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.099 -5.445 -18.476 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.665 -6.229 -16.982 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.538 -6.492 -18.511 1.00 0.00 H new ATOM 127 N ARG A 45 15.485 -9.884 -19.650 1.00 0.00 N ATOM 128 CA ARG A 45 16.658 -10.293 -20.411 1.00 0.00 C ATOM 129 C ARG A 45 17.541 -9.086 -20.712 1.00 0.00 C ATOM 130 O ARG A 45 18.760 -9.199 -20.698 1.00 0.00 O ATOM 131 CB ARG A 45 16.240 -10.984 -21.713 1.00 0.00 C ATOM 132 CG ARG A 45 17.504 -11.310 -22.518 1.00 0.00 C ATOM 133 CD ARG A 45 17.178 -12.227 -23.691 1.00 0.00 C ATOM 134 NE ARG A 45 18.403 -12.508 -24.450 1.00 0.00 N ATOM 135 CZ ARG A 45 18.439 -13.271 -25.548 1.00 0.00 C ATOM 136 NH1 ARG A 45 17.320 -13.837 -26.021 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.607 -13.462 -26.170 1.00 0.00 N ATOM 0 H ARG A 45 14.596 -10.165 -20.064 1.00 0.00 H new ATOM 0 HA ARG A 45 17.228 -11.002 -19.811 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.683 -11.896 -21.496 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.580 -10.337 -22.290 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.954 -10.388 -22.886 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.240 -11.788 -21.871 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.741 -13.157 -23.328 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.437 -11.758 -24.338 1.00 0.00 H new ATOM 0 HE ARG A 45 19.277 -12.098 -24.121 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.431 -13.687 -25.543 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.357 -14.417 -26.859 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.455 -13.028 -25.806 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.650 -14.041 -27.008 1.00 0.00 H new ATOM 151 N GLU A 46 16.923 -7.932 -20.987 1.00 0.00 N ATOM 152 CA GLU A 46 17.657 -6.712 -21.292 1.00 0.00 C ATOM 153 C GLU A 46 18.730 -6.462 -20.222 1.00 0.00 C ATOM 154 O GLU A 46 19.840 -6.035 -20.541 1.00 0.00 O ATOM 155 CB GLU A 46 16.658 -5.544 -21.366 1.00 0.00 C ATOM 156 CG GLU A 46 17.263 -4.359 -22.136 1.00 0.00 C ATOM 157 CD GLU A 46 18.299 -3.612 -21.302 1.00 0.00 C ATOM 158 OE1 GLU A 46 18.045 -3.441 -20.089 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.334 -3.225 -21.889 1.00 0.00 O ATOM 0 H GLU A 46 15.909 -7.824 -21.003 1.00 0.00 H new ATOM 0 HA GLU A 46 18.165 -6.806 -22.252 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.742 -5.873 -21.856 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.385 -5.228 -20.359 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.727 -4.721 -23.054 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.469 -3.672 -22.429 1.00 0.00 H new ATOM 166 N GLU A 47 18.394 -6.731 -18.955 1.00 0.00 N ATOM 167 CA GLU A 47 19.303 -6.505 -17.844 1.00 0.00 C ATOM 168 C GLU A 47 20.172 -7.742 -17.589 1.00 0.00 C ATOM 169 O GLU A 47 21.376 -7.614 -17.381 1.00 0.00 O ATOM 170 CB GLU A 47 18.481 -6.145 -16.605 1.00 0.00 C ATOM 171 CG GLU A 47 19.339 -5.339 -15.628 1.00 0.00 C ATOM 172 CD GLU A 47 18.501 -4.851 -14.456 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.909 -5.720 -13.781 1.00 0.00 O ATOM 174 OE2 GLU A 47 18.464 -3.620 -14.256 1.00 0.00 O ATOM 0 H GLU A 47 17.487 -7.109 -18.680 1.00 0.00 H new ATOM 0 HA GLU A 47 19.977 -5.683 -18.083 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.604 -5.567 -16.895 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.119 -7.052 -16.122 1.00 0.00 H new ATOM 0 HG2 GLU A 47 20.160 -5.956 -15.263 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.784 -4.488 -16.143 1.00 0.00 H new ATOM 181 N ASP A 48 19.563 -8.938 -17.599 1.00 0.00 N ATOM 182 CA ASP A 48 20.288 -10.182 -17.340 1.00 0.00 C ATOM 183 C ASP A 48 21.444 -10.357 -18.330 1.00 0.00 C ATOM 184 O ASP A 48 22.537 -10.753 -17.936 1.00 0.00 O ATOM 185 CB ASP A 48 19.327 -11.370 -17.436 1.00 0.00 C ATOM 186 CG ASP A 48 18.396 -11.426 -16.233 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.926 -11.543 -15.109 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.168 -11.356 -16.455 1.00 0.00 O ATOM 0 H ASP A 48 18.568 -9.065 -17.785 1.00 0.00 H new ATOM 0 HA ASP A 48 20.706 -10.137 -16.335 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.739 -11.292 -18.350 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.897 -12.297 -17.501 1.00 0.00 H new ATOM 193 N GLU A 49 21.201 -10.066 -19.613 1.00 0.00 N ATOM 194 CA GLU A 49 22.221 -10.202 -20.645 1.00 0.00 C ATOM 195 C GLU A 49 23.439 -9.342 -20.287 1.00 0.00 C ATOM 196 O GLU A 49 24.579 -9.784 -20.438 1.00 0.00 O ATOM 197 CB GLU A 49 21.630 -9.790 -22.003 1.00 0.00 C ATOM 198 CG GLU A 49 22.447 -10.405 -23.149 1.00 0.00 C ATOM 199 CD GLU A 49 21.958 -11.814 -23.483 1.00 0.00 C ATOM 200 OE1 GLU A 49 22.476 -12.761 -22.853 1.00 0.00 O ATOM 201 OE2 GLU A 49 21.076 -11.919 -24.366 1.00 0.00 O ATOM 0 H GLU A 49 20.300 -9.734 -19.957 1.00 0.00 H new ATOM 0 HA GLU A 49 22.547 -11.240 -20.711 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.593 -10.118 -22.070 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.627 -8.704 -22.092 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.372 -9.772 -24.033 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.500 -10.439 -22.870 1.00 0.00 H new ATOM 208 N LYS A 50 23.198 -8.113 -19.805 1.00 0.00 N ATOM 209 CA LYS A 50 24.276 -7.218 -19.413 1.00 0.00 C ATOM 210 C LYS A 50 24.965 -7.761 -18.161 1.00 0.00 C ATOM 211 O LYS A 50 26.190 -7.805 -18.103 1.00 0.00 O ATOM 212 CB LYS A 50 23.724 -5.810 -19.160 1.00 0.00 C ATOM 213 CG LYS A 50 23.272 -5.181 -20.485 1.00 0.00 C ATOM 214 CD LYS A 50 23.202 -3.651 -20.349 1.00 0.00 C ATOM 215 CE LYS A 50 22.170 -3.242 -19.288 1.00 0.00 C ATOM 216 NZ LYS A 50 20.807 -3.632 -19.685 1.00 0.00 N ATOM 0 H LYS A 50 22.263 -7.725 -19.681 1.00 0.00 H new ATOM 0 HA LYS A 50 25.009 -7.159 -20.218 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.885 -5.858 -18.465 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.489 -5.188 -18.694 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.967 -5.451 -21.280 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.295 -5.573 -20.768 1.00 0.00 H new ATOM 0 HD2 LYS A 50 24.183 -3.261 -20.078 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.937 -3.208 -21.309 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.421 -3.709 -18.336 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.211 -2.164 -19.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.136 -3.357 -18.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.554 -3.153 -20.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.767 -4.662 -19.823 1.00 0.00 H new ATOM 230 N LEU A 51 24.172 -8.178 -17.161 1.00 0.00 N ATOM 231 CA LEU A 51 24.709 -8.726 -15.921 1.00 0.00 C ATOM 232 C LEU A 51 25.670 -9.869 -16.242 1.00 0.00 C ATOM 233 O LEU A 51 26.754 -9.939 -15.680 1.00 0.00 O ATOM 234 CB LEU A 51 23.550 -9.212 -15.033 1.00 0.00 C ATOM 235 CG LEU A 51 24.083 -9.792 -13.708 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.580 -8.664 -12.800 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.961 -10.550 -12.997 1.00 0.00 C ATOM 0 H LEU A 51 23.153 -8.143 -17.195 1.00 0.00 H new ATOM 0 HA LEU A 51 25.260 -7.956 -15.380 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.872 -8.384 -14.826 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.974 -9.971 -15.562 1.00 0.00 H new ATOM 0 HG LEU A 51 24.910 -10.468 -13.925 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.954 -9.086 -11.867 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.382 -8.121 -13.300 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.758 -7.981 -12.585 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.336 -10.961 -12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.136 -9.868 -12.790 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.610 -11.362 -13.634 1.00 0.00 H new ATOM 249 N LYS A 52 25.263 -10.758 -17.153 1.00 0.00 N ATOM 250 CA LYS A 52 26.077 -11.891 -17.560 1.00 0.00 C ATOM 251 C LYS A 52 27.461 -11.416 -18.009 1.00 0.00 C ATOM 252 O LYS A 52 28.477 -11.896 -17.509 1.00 0.00 O ATOM 253 CB LYS A 52 25.361 -12.618 -18.703 1.00 0.00 C ATOM 254 CG LYS A 52 26.030 -13.969 -18.984 1.00 0.00 C ATOM 255 CD LYS A 52 26.019 -14.253 -20.490 1.00 0.00 C ATOM 256 CE LYS A 52 24.575 -14.283 -21.008 1.00 0.00 C ATOM 257 NZ LYS A 52 24.540 -14.377 -22.476 1.00 0.00 N ATOM 0 H LYS A 52 24.360 -10.706 -17.624 1.00 0.00 H new ATOM 0 HA LYS A 52 26.213 -12.572 -16.720 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.313 -12.771 -18.444 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.380 -12.002 -19.602 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.055 -13.961 -18.614 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.505 -14.762 -18.452 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.587 -13.487 -21.017 1.00 0.00 H new ATOM 0 HD3 LYS A 52 26.506 -15.207 -20.692 1.00 0.00 H new ATOM 0 HE2 LYS A 52 24.047 -15.132 -20.574 1.00 0.00 H new ATOM 0 HE3 LYS A 52 24.051 -13.383 -20.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.637 -13.998 -22.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 25.326 -13.827 -22.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 24.632 -15.373 -22.762 1.00 0.00 H new ATOM 271 N LYS A 53 27.493 -10.474 -18.959 1.00 0.00 N ATOM 272 CA LYS A 53 28.742 -9.958 -19.497 1.00 0.00 C ATOM 273 C LYS A 53 29.580 -9.312 -18.392 1.00 0.00 C ATOM 274 O LYS A 53 30.771 -9.587 -18.281 1.00 0.00 O ATOM 275 CB LYS A 53 28.431 -8.946 -20.606 1.00 0.00 C ATOM 276 CG LYS A 53 29.729 -8.515 -21.296 1.00 0.00 C ATOM 277 CD LYS A 53 29.407 -7.564 -22.450 1.00 0.00 C ATOM 278 CE LYS A 53 30.707 -7.126 -23.131 1.00 0.00 C ATOM 279 NZ LYS A 53 30.436 -6.204 -24.248 1.00 0.00 N ATOM 0 H LYS A 53 26.658 -10.056 -19.369 1.00 0.00 H new ATOM 0 HA LYS A 53 29.323 -10.781 -19.914 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.751 -9.388 -21.334 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.926 -8.076 -20.186 1.00 0.00 H new ATOM 0 HG2 LYS A 53 30.387 -8.024 -20.580 1.00 0.00 H new ATOM 0 HG3 LYS A 53 30.261 -9.390 -21.670 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.755 -8.058 -23.171 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.868 -6.693 -22.077 1.00 0.00 H new ATOM 0 HE2 LYS A 53 31.356 -6.640 -22.403 1.00 0.00 H new ATOM 0 HE3 LYS A 53 31.241 -8.002 -23.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 31.334 -5.923 -24.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 29.835 -6.679 -24.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 29.947 -5.359 -23.890 1.00 0.00 H new ATOM 293 N LEU A 54 28.959 -8.450 -17.581 1.00 0.00 N ATOM 294 CA LEU A 54 29.661 -7.748 -16.513 1.00 0.00 C ATOM 295 C LEU A 54 30.262 -8.743 -15.518 1.00 0.00 C ATOM 296 O LEU A 54 31.401 -8.572 -15.091 1.00 0.00 O ATOM 297 CB LEU A 54 28.693 -6.795 -15.804 1.00 0.00 C ATOM 298 CG LEU A 54 28.273 -5.654 -16.747 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.143 -4.855 -16.095 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.464 -4.728 -17.019 1.00 0.00 C ATOM 0 H LEU A 54 27.967 -8.224 -17.648 1.00 0.00 H new ATOM 0 HA LEU A 54 30.478 -7.170 -16.945 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.811 -7.343 -15.472 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.166 -6.383 -14.913 1.00 0.00 H new ATOM 0 HG LEU A 54 27.932 -6.076 -17.692 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.841 -4.045 -16.758 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.292 -5.511 -15.912 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.490 -4.439 -15.149 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.155 -3.924 -17.687 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.816 -4.303 -16.079 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.269 -5.297 -17.484 1.00 0.00 H new ATOM 312 N VAL A 55 29.499 -9.778 -15.151 1.00 0.00 N ATOM 313 CA VAL A 55 29.963 -10.790 -14.210 1.00 0.00 C ATOM 314 C VAL A 55 31.153 -11.542 -14.804 1.00 0.00 C ATOM 315 O VAL A 55 32.141 -11.777 -14.115 1.00 0.00 O ATOM 316 CB VAL A 55 28.806 -11.752 -13.883 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.346 -13.021 -13.216 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.825 -11.066 -12.927 1.00 0.00 C ATOM 0 H VAL A 55 28.552 -9.933 -15.497 1.00 0.00 H new ATOM 0 HA VAL A 55 30.290 -10.314 -13.285 1.00 0.00 H new ATOM 0 HB VAL A 55 28.299 -12.019 -14.810 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.518 -13.693 -12.990 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.043 -13.518 -13.890 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.861 -12.756 -12.293 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.006 -11.747 -12.696 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.343 -10.795 -12.007 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.427 -10.167 -13.397 1.00 0.00 H new ATOM 328 N GLU A 56 31.056 -11.920 -16.082 1.00 0.00 N ATOM 329 CA GLU A 56 32.119 -12.652 -16.754 1.00 0.00 C ATOM 330 C GLU A 56 33.389 -11.796 -16.835 1.00 0.00 C ATOM 331 O GLU A 56 34.491 -12.296 -16.622 1.00 0.00 O ATOM 332 CB GLU A 56 31.639 -13.050 -18.157 1.00 0.00 C ATOM 333 CG GLU A 56 32.493 -14.200 -18.700 1.00 0.00 C ATOM 334 CD GLU A 56 32.132 -15.517 -18.020 1.00 0.00 C ATOM 335 OE1 GLU A 56 31.057 -16.055 -18.362 1.00 0.00 O ATOM 336 OE2 GLU A 56 32.936 -15.959 -17.172 1.00 0.00 O ATOM 0 H GLU A 56 30.245 -11.727 -16.670 1.00 0.00 H new ATOM 0 HA GLU A 56 32.360 -13.552 -16.188 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.592 -13.351 -18.120 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.701 -12.193 -18.828 1.00 0.00 H new ATOM 0 HG2 GLU A 56 32.346 -14.290 -19.776 1.00 0.00 H new ATOM 0 HG3 GLU A 56 33.549 -13.981 -18.540 1.00 0.00 H new ATOM 343 N GLN A 57 33.229 -10.505 -17.151 1.00 0.00 N ATOM 344 CA GLN A 57 34.355 -9.591 -17.295 1.00 0.00 C ATOM 345 C GLN A 57 35.005 -9.310 -15.938 1.00 0.00 C ATOM 346 O GLN A 57 36.194 -9.563 -15.759 1.00 0.00 O ATOM 347 CB GLN A 57 33.865 -8.285 -17.935 1.00 0.00 C ATOM 348 CG GLN A 57 33.499 -8.519 -19.408 1.00 0.00 C ATOM 349 CD GLN A 57 34.738 -8.490 -20.296 1.00 0.00 C ATOM 350 OE1 GLN A 57 35.135 -7.431 -20.774 1.00 0.00 O ATOM 351 NE2 GLN A 57 35.348 -9.654 -20.521 1.00 0.00 N ATOM 0 H GLN A 57 32.319 -10.072 -17.312 1.00 0.00 H new ATOM 0 HA GLN A 57 35.107 -10.050 -17.936 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.997 -7.909 -17.393 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.641 -7.523 -17.862 1.00 0.00 H new ATOM 0 HG2 GLN A 57 32.996 -9.481 -19.512 1.00 0.00 H new ATOM 0 HG3 GLN A 57 32.795 -7.754 -19.736 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.983 -10.510 -20.103 1.00 0.00 H new ATOM 0 HE22 GLN A 57 36.179 -9.688 -21.111 1.00 0.00 H new ATOM 360 N ASN A 58 34.228 -8.774 -14.989 1.00 0.00 N ATOM 361 CA ASN A 58 34.744 -8.422 -13.671 1.00 0.00 C ATOM 362 C ASN A 58 34.959 -9.683 -12.837 1.00 0.00 C ATOM 363 O ASN A 58 36.097 -10.079 -12.591 1.00 0.00 O ATOM 364 CB ASN A 58 33.764 -7.470 -12.970 1.00 0.00 C ATOM 365 CG ASN A 58 33.667 -6.135 -13.701 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.409 -5.204 -13.400 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.747 -6.042 -14.662 1.00 0.00 N ATOM 0 H ASN A 58 33.235 -8.576 -15.116 1.00 0.00 H new ATOM 0 HA ASN A 58 35.704 -7.918 -13.783 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.778 -7.932 -12.920 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.089 -7.302 -11.943 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.638 -5.171 -15.181 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.152 -6.842 -14.878 1.00 0.00 H new ATOM 374 N GLY A 59 33.861 -10.306 -12.396 1.00 0.00 N ATOM 375 CA GLY A 59 33.918 -11.504 -11.576 1.00 0.00 C ATOM 376 C GLY A 59 32.742 -11.521 -10.604 1.00 0.00 C ATOM 377 O GLY A 59 31.999 -10.544 -10.508 1.00 0.00 O ATOM 0 H GLY A 59 32.913 -9.989 -12.601 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.891 -12.391 -12.209 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.858 -11.534 -11.025 1.00 0.00 H new ATOM 381 N THR A 60 32.577 -12.633 -9.881 1.00 0.00 N ATOM 382 CA THR A 60 31.499 -12.782 -8.910 1.00 0.00 C ATOM 383 C THR A 60 31.971 -12.344 -7.517 1.00 0.00 C ATOM 384 O THR A 60 31.337 -12.682 -6.519 1.00 0.00 O ATOM 385 CB THR A 60 31.048 -14.249 -8.892 1.00 0.00 C ATOM 386 OG1 THR A 60 32.175 -15.088 -8.748 1.00 0.00 O ATOM 387 CG2 THR A 60 30.331 -14.588 -10.200 1.00 0.00 C ATOM 0 H THR A 60 33.185 -13.448 -9.955 1.00 0.00 H new ATOM 0 HA THR A 60 30.659 -12.148 -9.193 1.00 0.00 H new ATOM 0 HB THR A 60 30.366 -14.402 -8.055 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.886 -16.024 -8.735 1.00 0.00 H new ATOM 0 HG21 THR A 60 30.013 -15.631 -10.181 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.458 -13.945 -10.314 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.010 -14.431 -11.038 1.00 0.00 H new ATOM 395 N ASP A 61 33.085 -11.600 -7.450 1.00 0.00 N ATOM 396 CA ASP A 61 33.636 -11.139 -6.183 1.00 0.00 C ATOM 397 C ASP A 61 33.050 -9.771 -5.824 1.00 0.00 C ATOM 398 O ASP A 61 32.242 -9.663 -4.902 1.00 0.00 O ATOM 399 CB ASP A 61 35.171 -11.083 -6.284 1.00 0.00 C ATOM 400 CG ASP A 61 35.815 -12.005 -5.257 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.950 -13.205 -5.578 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.158 -11.493 -4.170 1.00 0.00 O ATOM 0 H ASP A 61 33.619 -11.307 -8.268 1.00 0.00 H new ATOM 0 HA ASP A 61 33.368 -11.835 -5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.485 -11.373 -7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.513 -10.060 -6.126 1.00 0.00 H new ATOM 407 N ASP A 62 33.464 -8.726 -6.555 1.00 0.00 N ATOM 408 CA ASP A 62 33.007 -7.368 -6.297 1.00 0.00 C ATOM 409 C ASP A 62 31.635 -7.136 -6.929 1.00 0.00 C ATOM 410 O ASP A 62 31.530 -6.647 -8.054 1.00 0.00 O ATOM 411 CB ASP A 62 34.047 -6.363 -6.826 1.00 0.00 C ATOM 412 CG ASP A 62 34.550 -5.463 -5.705 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.707 -4.715 -5.160 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.762 -5.537 -5.415 1.00 0.00 O ATOM 0 H ASP A 62 34.119 -8.805 -7.333 1.00 0.00 H new ATOM 0 HA ASP A 62 32.902 -7.220 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.885 -6.900 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.603 -5.755 -7.615 1.00 0.00 H new ATOM 419 N TRP A 63 30.577 -7.479 -6.191 1.00 0.00 N ATOM 420 CA TRP A 63 29.215 -7.272 -6.656 1.00 0.00 C ATOM 421 C TRP A 63 28.880 -5.779 -6.636 1.00 0.00 C ATOM 422 O TRP A 63 27.979 -5.339 -7.344 1.00 0.00 O ATOM 423 CB TRP A 63 28.253 -8.076 -5.785 1.00 0.00 C ATOM 424 CG TRP A 63 28.306 -9.547 -6.041 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.848 -10.468 -5.228 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.823 -10.290 -7.200 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.751 -11.724 -5.774 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.122 -11.676 -7.005 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.166 -9.940 -8.403 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.793 -12.652 -7.948 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.830 -10.924 -9.357 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.148 -12.275 -9.131 1.00 0.00 C ATOM 0 H TRP A 63 30.644 -7.903 -5.266 1.00 0.00 H new ATOM 0 HA TRP A 63 29.115 -7.621 -7.684 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.482 -7.889 -4.736 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.237 -7.722 -5.957 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.300 -10.250 -4.272 1.00 0.00 H new ATOM 0 HE1 TRP A 63 29.096 -12.576 -5.332 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.918 -8.906 -8.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.034 -13.689 -7.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.325 -10.637 -10.268 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.895 -13.021 -9.870 1.00 0.00 H new ATOM 443 N LYS A 64 29.619 -4.998 -5.833 1.00 0.00 N ATOM 444 CA LYS A 64 29.425 -3.560 -5.762 1.00 0.00 C ATOM 445 C LYS A 64 29.715 -2.945 -7.132 1.00 0.00 C ATOM 446 O LYS A 64 28.909 -2.179 -7.652 1.00 0.00 O ATOM 447 CB LYS A 64 30.360 -2.975 -4.697 1.00 0.00 C ATOM 448 CG LYS A 64 30.170 -1.454 -4.612 1.00 0.00 C ATOM 449 CD LYS A 64 31.333 -0.830 -3.833 1.00 0.00 C ATOM 450 CE LYS A 64 31.370 0.683 -4.078 1.00 0.00 C ATOM 451 NZ LYS A 64 31.807 0.994 -5.456 1.00 0.00 N ATOM 0 H LYS A 64 30.358 -5.350 -5.225 1.00 0.00 H new ATOM 0 HA LYS A 64 28.395 -3.332 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.152 -3.431 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.396 -3.207 -4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.121 -1.028 -5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.225 -1.223 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.219 -1.032 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 64 32.275 -1.281 -4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 64 30.381 1.106 -3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 64 32.047 1.153 -3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 32.050 2.003 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 32.641 0.420 -5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 31.037 0.778 -6.121 1.00 0.00 H new ATOM 465 N VAL A 65 30.875 -3.289 -7.709 1.00 0.00 N ATOM 466 CA VAL A 65 31.283 -2.779 -9.013 1.00 0.00 C ATOM 467 C VAL A 65 30.183 -3.038 -10.035 1.00 0.00 C ATOM 468 O VAL A 65 29.838 -2.163 -10.827 1.00 0.00 O ATOM 469 CB VAL A 65 32.579 -3.483 -9.446 1.00 0.00 C ATOM 470 CG1 VAL A 65 32.982 -3.018 -10.846 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.705 -3.163 -8.469 1.00 0.00 C ATOM 0 H VAL A 65 31.549 -3.925 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 65 31.457 -1.705 -8.949 1.00 0.00 H new ATOM 0 HB VAL A 65 32.403 -4.559 -9.454 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.901 -3.521 -11.146 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.188 -3.261 -11.553 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.144 -1.940 -10.839 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.617 -3.668 -8.787 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.874 -2.086 -8.449 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.430 -3.506 -7.472 1.00 0.00 H new ATOM 481 N ILE A 66 29.645 -4.253 -10.013 1.00 0.00 N ATOM 482 CA ILE A 66 28.619 -4.671 -10.948 1.00 0.00 C ATOM 483 C ILE A 66 27.343 -3.861 -10.708 1.00 0.00 C ATOM 484 O ILE A 66 26.718 -3.389 -11.656 1.00 0.00 O ATOM 485 CB ILE A 66 28.371 -6.180 -10.771 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.738 -6.933 -10.713 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.482 -6.686 -11.917 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.892 -7.965 -11.824 1.00 0.00 C ATOM 0 H ILE A 66 29.912 -4.974 -9.343 1.00 0.00 H new ATOM 0 HA ILE A 66 28.940 -4.489 -11.974 1.00 0.00 H new ATOM 0 HB ILE A 66 27.850 -6.372 -9.833 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.550 -6.209 -10.781 1.00 0.00 H new ATOM 0 HG13 ILE A 66 29.834 -7.429 -9.747 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.304 -7.754 -11.795 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.530 -6.155 -11.900 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.980 -6.508 -12.870 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.861 -8.456 -11.733 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.099 -8.709 -11.742 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.826 -7.469 -12.793 1.00 0.00 H new ATOM 500 N ALA A 67 26.966 -3.698 -9.434 1.00 0.00 N ATOM 501 CA ALA A 67 25.777 -2.946 -9.064 1.00 0.00 C ATOM 502 C ALA A 67 25.893 -1.495 -9.534 1.00 0.00 C ATOM 503 O ALA A 67 24.909 -0.911 -9.976 1.00 0.00 O ATOM 504 CB ALA A 67 25.594 -3.007 -7.549 1.00 0.00 C ATOM 0 H ALA A 67 27.478 -4.084 -8.641 1.00 0.00 H new ATOM 0 HA ALA A 67 24.906 -3.387 -9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.704 -2.445 -7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.481 -4.045 -7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.467 -2.575 -7.059 1.00 0.00 H new ATOM 510 N ASN A 68 27.096 -0.911 -9.440 1.00 0.00 N ATOM 511 CA ASN A 68 27.313 0.469 -9.860 1.00 0.00 C ATOM 512 C ASN A 68 26.956 0.636 -11.341 1.00 0.00 C ATOM 513 O ASN A 68 26.517 1.709 -11.749 1.00 0.00 O ATOM 514 CB ASN A 68 28.777 0.874 -9.609 1.00 0.00 C ATOM 515 CG ASN A 68 29.133 0.857 -8.119 1.00 0.00 C ATOM 516 OD1 ASN A 68 30.214 0.406 -7.740 1.00 0.00 O ATOM 517 ND2 ASN A 68 28.231 1.353 -7.271 1.00 0.00 N ATOM 0 H ASN A 68 27.928 -1.376 -9.077 1.00 0.00 H new ATOM 0 HA ASN A 68 26.666 1.122 -9.274 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.438 0.194 -10.147 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.951 1.872 -10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 68 28.426 1.368 -6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 68 27.346 1.718 -7.624 1.00 0.00 H new ATOM 524 N TYR A 69 27.143 -0.422 -12.143 1.00 0.00 N ATOM 525 CA TYR A 69 26.839 -0.375 -13.569 1.00 0.00 C ATOM 526 C TYR A 69 25.354 -0.662 -13.824 1.00 0.00 C ATOM 527 O TYR A 69 24.855 -0.367 -14.909 1.00 0.00 O ATOM 528 CB TYR A 69 27.701 -1.403 -14.311 1.00 0.00 C ATOM 529 CG TYR A 69 29.195 -1.274 -14.068 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.791 -0.009 -13.884 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.995 -2.431 -14.046 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.177 0.091 -13.676 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.380 -2.327 -13.843 1.00 0.00 C ATOM 534 CZ TYR A 69 31.970 -1.067 -13.656 1.00 0.00 C ATOM 535 OH TYR A 69 33.316 -0.967 -13.458 1.00 0.00 O ATOM 0 H TYR A 69 27.504 -1.320 -11.821 1.00 0.00 H new ATOM 0 HA TYR A 69 27.061 0.627 -13.937 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.384 -2.403 -14.016 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.512 -1.311 -15.380 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.182 0.883 -13.903 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.542 -3.402 -14.186 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.632 1.060 -13.531 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.992 -3.217 -13.831 1.00 0.00 H new ATOM 0 HH TYR A 69 33.716 -1.862 -13.471 1.00 0.00 H new ATOM 545 N LEU A 70 24.653 -1.242 -12.834 1.00 0.00 N ATOM 546 CA LEU A 70 23.240 -1.589 -12.974 1.00 0.00 C ATOM 547 C LEU A 70 22.409 -0.842 -11.922 1.00 0.00 C ATOM 548 O LEU A 70 22.250 -1.330 -10.804 1.00 0.00 O ATOM 549 CB LEU A 70 23.074 -3.106 -12.804 1.00 0.00 C ATOM 550 CG LEU A 70 23.832 -3.866 -13.906 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.807 -5.362 -13.590 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.170 -3.628 -15.268 1.00 0.00 C ATOM 0 H LEU A 70 25.051 -1.479 -11.925 1.00 0.00 H new ATOM 0 HA LEU A 70 22.888 -1.296 -13.963 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.446 -3.410 -11.825 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.016 -3.367 -12.838 1.00 0.00 H new ATOM 0 HG LEU A 70 24.860 -3.506 -13.944 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.343 -5.907 -14.367 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.286 -5.539 -12.627 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.774 -5.708 -13.550 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.717 -4.172 -16.038 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.139 -3.980 -15.238 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.183 -2.563 -15.498 1.00 0.00 H new ATOM 564 N PRO A 71 21.866 0.343 -12.269 1.00 0.00 N ATOM 565 CA PRO A 71 21.054 1.118 -11.355 1.00 0.00 C ATOM 566 C PRO A 71 19.828 0.316 -10.914 1.00 0.00 C ATOM 567 O PRO A 71 19.332 -0.522 -11.663 1.00 0.00 O ATOM 568 CB PRO A 71 20.652 2.385 -12.116 1.00 0.00 C ATOM 569 CG PRO A 71 21.315 2.307 -13.497 1.00 0.00 C ATOM 570 CD PRO A 71 22.031 0.958 -13.570 1.00 0.00 C ATOM 0 HA PRO A 71 21.599 1.370 -10.445 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.568 2.450 -12.212 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.979 3.277 -11.581 1.00 0.00 H new ATOM 0 HG2 PRO A 71 20.570 2.392 -14.288 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.020 3.127 -13.634 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.604 0.332 -14.354 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.087 1.090 -13.807 1.00 0.00 H new ATOM 578 N ASN A 72 19.350 0.583 -9.687 1.00 0.00 N ATOM 579 CA ASN A 72 18.181 -0.092 -9.112 1.00 0.00 C ATOM 580 C ASN A 72 18.462 -1.581 -8.861 1.00 0.00 C ATOM 581 O ASN A 72 17.539 -2.331 -8.540 1.00 0.00 O ATOM 582 CB ASN A 72 16.956 0.086 -10.024 1.00 0.00 C ATOM 583 CG ASN A 72 16.736 1.555 -10.371 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.954 1.966 -11.507 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.302 2.346 -9.390 1.00 0.00 N ATOM 0 H ASN A 72 19.767 1.276 -9.066 1.00 0.00 H new ATOM 0 HA ASN A 72 17.966 0.370 -8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.094 -0.490 -10.939 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.070 -0.310 -9.528 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.138 3.337 -9.569 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.134 1.961 -8.461 1.00 0.00 H new ATOM 592 N ARG A 73 19.730 -2.006 -8.995 1.00 0.00 N ATOM 593 CA ARG A 73 20.127 -3.389 -8.748 1.00 0.00 C ATOM 594 C ARG A 73 21.347 -3.383 -7.830 1.00 0.00 C ATOM 595 O ARG A 73 22.480 -3.370 -8.304 1.00 0.00 O ATOM 596 CB ARG A 73 20.459 -4.094 -10.076 1.00 0.00 C ATOM 597 CG ARG A 73 19.265 -4.054 -11.041 1.00 0.00 C ATOM 598 CD ARG A 73 18.157 -4.997 -10.558 1.00 0.00 C ATOM 599 NE ARG A 73 16.879 -4.279 -10.411 1.00 0.00 N ATOM 600 CZ ARG A 73 15.763 -4.569 -11.114 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.800 -5.418 -12.148 1.00 0.00 N ATOM 602 NH2 ARG A 73 14.600 -4.003 -10.773 1.00 0.00 N ATOM 0 H ARG A 73 20.500 -1.399 -9.276 1.00 0.00 H new ATOM 0 HA ARG A 73 19.309 -3.932 -8.274 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.321 -3.614 -10.540 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.738 -5.130 -9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.880 -3.037 -11.112 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.587 -4.343 -12.041 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.038 -5.817 -11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.442 -5.439 -9.603 1.00 0.00 H new ATOM 0 HE ARG A 73 16.834 -3.515 -9.736 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.681 -5.857 -12.416 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.947 -5.626 -12.668 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.559 -3.356 -9.986 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.754 -4.218 -11.300 1.00 0.00 H new ATOM 616 N THR A 74 21.113 -3.384 -6.513 1.00 0.00 N ATOM 617 CA THR A 74 22.197 -3.348 -5.537 1.00 0.00 C ATOM 618 C THR A 74 23.028 -4.639 -5.605 1.00 0.00 C ATOM 619 O THR A 74 22.690 -5.568 -6.339 1.00 0.00 O ATOM 620 CB THR A 74 21.618 -3.112 -4.131 1.00 0.00 C ATOM 621 OG1 THR A 74 22.665 -2.790 -3.242 1.00 0.00 O ATOM 622 CG2 THR A 74 20.892 -4.363 -3.630 1.00 0.00 C ATOM 0 H THR A 74 20.180 -3.409 -6.102 1.00 0.00 H new ATOM 0 HA THR A 74 22.869 -2.522 -5.770 1.00 0.00 H new ATOM 0 HB THR A 74 20.904 -2.290 -4.179 1.00 0.00 H new ATOM 0 HG1 THR A 74 22.298 -2.638 -2.346 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.490 -4.176 -2.634 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.077 -4.608 -4.311 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.592 -5.197 -3.588 1.00 0.00 H new ATOM 630 N ASP A 75 24.123 -4.681 -4.838 1.00 0.00 N ATOM 631 CA ASP A 75 25.039 -5.818 -4.830 1.00 0.00 C ATOM 632 C ASP A 75 24.311 -7.105 -4.434 1.00 0.00 C ATOM 633 O ASP A 75 24.450 -8.121 -5.112 1.00 0.00 O ATOM 634 CB ASP A 75 26.211 -5.522 -3.878 1.00 0.00 C ATOM 635 CG ASP A 75 25.760 -5.421 -2.421 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.724 -4.758 -2.185 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.460 -6.008 -1.571 1.00 0.00 O ATOM 0 H ASP A 75 24.396 -3.927 -4.207 1.00 0.00 H new ATOM 0 HA ASP A 75 25.432 -5.968 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.960 -6.308 -3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.690 -4.589 -4.174 1.00 0.00 H new ATOM 642 N VAL A 76 23.537 -7.064 -3.345 1.00 0.00 N ATOM 643 CA VAL A 76 22.798 -8.230 -2.876 1.00 0.00 C ATOM 644 C VAL A 76 21.846 -8.721 -3.970 1.00 0.00 C ATOM 645 O VAL A 76 21.742 -9.921 -4.206 1.00 0.00 O ATOM 646 CB VAL A 76 22.022 -7.868 -1.598 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.173 -9.062 -1.148 1.00 0.00 C ATOM 648 CG2 VAL A 76 23.006 -7.501 -0.482 1.00 0.00 C ATOM 0 H VAL A 76 23.409 -6.230 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 76 23.496 -9.035 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 76 21.372 -7.018 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.626 -8.799 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.466 -9.323 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.822 -9.914 -0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.453 -7.245 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.659 -8.350 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.607 -6.647 -0.793 1.00 0.00 H new ATOM 658 N GLN A 77 21.152 -7.788 -4.632 1.00 0.00 N ATOM 659 CA GLN A 77 20.200 -8.121 -5.682 1.00 0.00 C ATOM 660 C GLN A 77 20.922 -8.786 -6.858 1.00 0.00 C ATOM 661 O GLN A 77 20.467 -9.810 -7.360 1.00 0.00 O ATOM 662 CB GLN A 77 19.480 -6.837 -6.120 1.00 0.00 C ATOM 663 CG GLN A 77 18.492 -7.124 -7.257 1.00 0.00 C ATOM 664 CD GLN A 77 17.450 -8.166 -6.858 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.255 -9.150 -7.566 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.778 -7.946 -5.727 1.00 0.00 N ATOM 0 H GLN A 77 21.238 -6.788 -4.452 1.00 0.00 H new ATOM 0 HA GLN A 77 19.461 -8.830 -5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.949 -6.406 -5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 77 20.212 -6.098 -6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.990 -6.200 -7.543 1.00 0.00 H new ATOM 0 HG3 GLN A 77 19.038 -7.474 -8.133 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.974 -7.114 -5.171 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.068 -8.610 -5.418 1.00 0.00 H new ATOM 675 N CYS A 78 22.046 -8.203 -7.294 1.00 0.00 N ATOM 676 CA CYS A 78 22.819 -8.748 -8.405 1.00 0.00 C ATOM 677 C CYS A 78 23.315 -10.150 -8.053 1.00 0.00 C ATOM 678 O CYS A 78 23.192 -11.076 -8.856 1.00 0.00 O ATOM 679 CB CYS A 78 24.004 -7.828 -8.714 1.00 0.00 C ATOM 680 SG CYS A 78 23.397 -6.319 -9.508 1.00 0.00 S ATOM 0 H CYS A 78 22.437 -7.352 -6.890 1.00 0.00 H new ATOM 0 HA CYS A 78 22.183 -8.811 -9.288 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.537 -7.581 -7.796 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.714 -8.336 -9.367 1.00 0.00 H new ATOM 0 HG CYS A 78 23.106 -5.437 -8.598 1.00 0.00 H new ATOM 686 N GLN A 79 23.876 -10.301 -6.847 1.00 0.00 N ATOM 687 CA GLN A 79 24.396 -11.577 -6.388 1.00 0.00 C ATOM 688 C GLN A 79 23.283 -12.619 -6.371 1.00 0.00 C ATOM 689 O GLN A 79 23.460 -13.712 -6.894 1.00 0.00 O ATOM 690 CB GLN A 79 25.009 -11.406 -4.995 1.00 0.00 C ATOM 691 CG GLN A 79 25.625 -12.733 -4.535 1.00 0.00 C ATOM 692 CD GLN A 79 26.471 -12.545 -3.280 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.419 -11.499 -2.640 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.255 -13.565 -2.929 1.00 0.00 N ATOM 0 H GLN A 79 23.978 -9.543 -6.172 1.00 0.00 H new ATOM 0 HA GLN A 79 25.172 -11.923 -7.070 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.772 -10.628 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.245 -11.084 -4.288 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.833 -13.455 -4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.241 -13.146 -5.333 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.266 -14.416 -3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.843 -13.494 -2.099 1.00 0.00 H new ATOM 703 N HIS A 80 22.137 -12.281 -5.769 1.00 0.00 N ATOM 704 CA HIS A 80 21.009 -13.197 -5.693 1.00 0.00 C ATOM 705 C HIS A 80 20.564 -13.596 -7.092 1.00 0.00 C ATOM 706 O HIS A 80 20.429 -14.777 -7.380 1.00 0.00 O ATOM 707 CB HIS A 80 19.846 -12.534 -4.939 1.00 0.00 C ATOM 708 CG HIS A 80 19.798 -12.899 -3.477 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.774 -12.474 -2.640 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.617 -13.655 -2.673 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.029 -12.985 -1.420 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.142 -13.719 -1.372 1.00 0.00 N ATOM 0 H HIS A 80 21.973 -11.376 -5.328 1.00 0.00 H new ATOM 0 HA HIS A 80 21.317 -14.093 -5.153 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.931 -11.451 -5.033 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.906 -12.822 -5.409 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.520 -14.140 -3.013 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.394 -12.817 -0.563 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.545 -14.208 -0.573 1.00 0.00 H new ATOM 720 N ARG A 81 20.331 -12.610 -7.959 1.00 0.00 N ATOM 721 CA ARG A 81 19.871 -12.872 -9.310 1.00 0.00 C ATOM 722 C ARG A 81 20.751 -13.925 -9.979 1.00 0.00 C ATOM 723 O ARG A 81 20.241 -14.908 -10.514 1.00 0.00 O ATOM 724 CB ARG A 81 19.876 -11.564 -10.112 1.00 0.00 C ATOM 725 CG ARG A 81 19.436 -11.821 -11.563 1.00 0.00 C ATOM 726 CD ARG A 81 18.013 -12.387 -11.591 1.00 0.00 C ATOM 727 NE ARG A 81 17.462 -12.345 -12.950 1.00 0.00 N ATOM 728 CZ ARG A 81 16.252 -12.832 -13.265 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.484 -13.389 -12.318 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.811 -12.762 -14.527 1.00 0.00 N ATOM 0 H ARG A 81 20.456 -11.621 -7.742 1.00 0.00 H new ATOM 0 HA ARG A 81 18.854 -13.262 -9.276 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.206 -10.842 -9.645 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.875 -11.127 -10.100 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.478 -10.893 -12.133 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.123 -12.520 -12.041 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.018 -13.415 -11.228 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.376 -11.814 -10.917 1.00 0.00 H new ATOM 0 HE ARG A 81 18.025 -11.926 -13.690 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.819 -13.443 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.564 -13.759 -12.559 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.395 -12.339 -15.248 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.891 -13.132 -14.767 1.00 0.00 H new ATOM 744 N TRP A 82 22.071 -13.724 -9.963 1.00 0.00 N ATOM 745 CA TRP A 82 22.975 -14.642 -10.626 1.00 0.00 C ATOM 746 C TRP A 82 23.130 -15.952 -9.848 1.00 0.00 C ATOM 747 O TRP A 82 22.840 -17.018 -10.383 1.00 0.00 O ATOM 748 CB TRP A 82 24.334 -13.988 -10.836 1.00 0.00 C ATOM 749 CG TRP A 82 25.254 -14.836 -11.648 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.168 -15.686 -11.161 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.323 -14.983 -13.097 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.799 -16.362 -12.171 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.316 -15.964 -13.403 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.640 -14.401 -14.191 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.614 -16.346 -14.712 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.937 -14.786 -15.515 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.919 -15.760 -15.772 1.00 0.00 C ATOM 0 H TRP A 82 22.526 -12.938 -9.500 1.00 0.00 H new ATOM 0 HA TRP A 82 22.542 -14.885 -11.596 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.199 -13.026 -11.331 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.791 -13.786 -9.867 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.379 -15.820 -10.110 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.526 -17.064 -12.033 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.882 -13.653 -14.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.375 -17.088 -14.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.407 -14.330 -16.338 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.135 -16.054 -16.788 1.00 0.00 H new ATOM 768 N GLN A 83 23.605 -15.876 -8.595 1.00 0.00 N ATOM 769 CA GLN A 83 23.875 -17.066 -7.780 1.00 0.00 C ATOM 770 C GLN A 83 22.578 -17.694 -7.250 1.00 0.00 C ATOM 771 O GLN A 83 22.532 -18.144 -6.100 1.00 0.00 O ATOM 772 CB GLN A 83 24.793 -16.679 -6.605 1.00 0.00 C ATOM 773 CG GLN A 83 26.137 -16.137 -7.117 1.00 0.00 C ATOM 774 CD GLN A 83 27.003 -17.248 -7.713 1.00 0.00 C ATOM 775 OE1 GLN A 83 26.675 -18.426 -7.607 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.116 -16.868 -8.340 1.00 0.00 N ATOM 0 H GLN A 83 23.811 -14.995 -8.124 1.00 0.00 H new ATOM 0 HA GLN A 83 24.367 -17.809 -8.408 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.303 -15.925 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.965 -17.548 -5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 83 25.957 -15.371 -7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.673 -15.658 -6.297 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.352 -15.878 -8.406 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.732 -17.567 -8.754 1.00 0.00 H new ATOM 785 N LYS A 84 21.527 -17.734 -8.072 1.00 0.00 N ATOM 786 CA LYS A 84 20.270 -18.343 -7.669 1.00 0.00 C ATOM 787 C LYS A 84 19.389 -18.656 -8.884 1.00 0.00 C ATOM 788 O LYS A 84 18.551 -19.552 -8.806 1.00 0.00 O ATOM 789 CB LYS A 84 19.551 -17.421 -6.675 1.00 0.00 C ATOM 790 CG LYS A 84 18.810 -18.259 -5.625 1.00 0.00 C ATOM 791 CD LYS A 84 18.499 -17.411 -4.379 1.00 0.00 C ATOM 792 CE LYS A 84 19.789 -16.873 -3.730 1.00 0.00 C ATOM 793 NZ LYS A 84 20.882 -17.868 -3.755 1.00 0.00 N ATOM 0 H LYS A 84 21.527 -17.351 -9.017 1.00 0.00 H new ATOM 0 HA LYS A 84 20.478 -19.293 -7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.272 -16.766 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.846 -16.780 -7.205 1.00 0.00 H new ATOM 0 HG2 LYS A 84 17.884 -18.647 -6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.417 -19.120 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 84 17.854 -16.577 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.949 -18.013 -3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 84 20.108 -15.971 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 84 19.583 -16.587 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 21.585 -17.630 -3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 20.494 -18.814 -3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 21.336 -17.861 -4.690 1.00 0.00 H new ATOM 807 N VAL A 85 19.565 -17.918 -10.003 1.00 0.00 N ATOM 808 CA VAL A 85 18.745 -18.121 -11.195 1.00 0.00 C ATOM 809 C VAL A 85 19.626 -18.470 -12.399 1.00 0.00 C ATOM 810 O VAL A 85 19.478 -19.546 -12.978 1.00 0.00 O ATOM 811 CB VAL A 85 17.911 -16.856 -11.468 1.00 0.00 C ATOM 812 CG1 VAL A 85 16.867 -17.153 -12.548 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.197 -16.412 -10.184 1.00 0.00 C ATOM 0 H VAL A 85 20.266 -17.183 -10.095 1.00 0.00 H new ATOM 0 HA VAL A 85 18.066 -18.957 -11.027 1.00 0.00 H new ATOM 0 HB VAL A 85 18.574 -16.060 -11.806 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.277 -16.257 -12.740 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.370 -17.460 -13.465 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.210 -17.954 -12.208 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.609 -15.516 -10.386 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.538 -17.209 -9.840 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.936 -16.195 -9.413 1.00 0.00 H new ATOM 823 N LEU A 86 20.535 -17.564 -12.787 1.00 0.00 N ATOM 824 CA LEU A 86 21.397 -17.790 -13.944 1.00 0.00 C ATOM 825 C LEU A 86 22.399 -18.900 -13.638 1.00 0.00 C ATOM 826 O LEU A 86 22.945 -18.966 -12.540 1.00 0.00 O ATOM 827 CB LEU A 86 22.157 -16.503 -14.312 1.00 0.00 C ATOM 828 CG LEU A 86 21.261 -15.480 -15.045 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.608 -16.115 -16.280 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.183 -14.940 -14.106 1.00 0.00 C ATOM 0 H LEU A 86 20.688 -16.673 -12.315 1.00 0.00 H new ATOM 0 HA LEU A 86 20.771 -18.085 -14.786 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.557 -16.048 -13.406 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.008 -16.755 -14.944 1.00 0.00 H new ATOM 0 HG LEU A 86 21.892 -14.653 -15.370 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.982 -15.377 -16.781 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.383 -16.458 -16.965 1.00 0.00 H new ATOM 0 HD13 LEU A 86 19.995 -16.962 -15.972 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.562 -14.221 -14.640 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.562 -15.764 -13.753 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.655 -14.450 -13.254 1.00 0.00 H new