USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 713 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 32 THR OG1 : rot -167:sc= 0.962 USER MOD Set 1.2: A 35 GLN : amide:sc= 1.1 X(o=2.1,f=1.7) USER MOD Set 2.1: A 12 SER OG : rot -150:sc= -0.0331 USER MOD Set 2.2: A 16 TYR OH : rot 8:sc= 1.28 USER MOD Set 2.3: A 75 HIS : no HE2:sc= 0.462 K(o=1.7,f=-4.5!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0637 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.06) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 22 SER OG : rot 88:sc= 1.25 USER MOD Single : A 23 HIS : no HD1:sc= -0.408 X(o=-0.41,f=0) USER MOD Single : A 30 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-1.7!) USER MOD Single : A 38 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.12 K(o=-1.1,f=-6.3!) USER MOD Single : A 43 SER OG : rot -93:sc= 1.13 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.386 X(o=0.39,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.0793 X(o=-0.079,f=-0.0091) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0109 F(o=-1.2!,f=-0.011) USER MOD Single : A 57 SER OG : rot 60:sc= -1.12 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= 0.965 (180deg=0.461) USER MOD Single : A 66 THR OG1 : rot -92:sc= 0.614 USER MOD Single : A 74 MET CE :methyl -114:sc= -0.308 (180deg=-1.04) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.16) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 144:sc= 0.81 USER MOD ----------------------------------------------------------------- ATOM 72 N TRP A 6 -4.376 10.036 6.885 1.00 0.00 N ATOM 73 CA TRP A 6 -4.498 9.140 5.744 1.00 0.00 C ATOM 74 C TRP A 6 -5.802 9.442 5.003 1.00 0.00 C ATOM 75 O TRP A 6 -6.889 9.284 5.555 1.00 0.00 O ATOM 76 CB TRP A 6 -4.447 7.677 6.204 1.00 0.00 C ATOM 77 CG TRP A 6 -3.900 6.741 5.164 1.00 0.00 C ATOM 78 CD1 TRP A 6 -3.257 7.085 4.010 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.927 5.309 5.195 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.896 5.956 3.315 1.00 0.00 N ATOM 81 CE2 TRP A 6 -3.297 4.852 4.021 1.00 0.00 C ATOM 82 CE3 TRP A 6 -4.428 4.369 6.098 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -3.155 3.497 3.730 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.286 3.025 5.809 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.656 2.599 4.635 1.00 0.00 C ATOM 0 HA TRP A 6 -3.662 9.300 5.063 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -3.834 7.608 7.102 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.452 7.355 6.479 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.061 8.098 3.690 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.409 5.942 2.419 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.918 4.687 7.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.668 3.167 2.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.668 2.290 6.502 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.563 1.541 4.438 1.00 0.00 H new ATOM 96 N ALA A 7 -5.675 9.879 3.751 1.00 0.00 N ATOM 97 CA ALA A 7 -6.807 10.401 2.982 1.00 0.00 C ATOM 98 C ALA A 7 -7.711 9.303 2.424 1.00 0.00 C ATOM 99 O ALA A 7 -8.648 9.581 1.675 1.00 0.00 O ATOM 100 CB ALA A 7 -6.307 11.283 1.851 1.00 0.00 C ATOM 0 H ALA A 7 -4.791 9.882 3.242 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.411 10.987 3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.156 11.666 1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.740 12.117 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.665 10.699 1.191 1.00 0.00 H new ATOM 106 N VAL A 8 -7.431 8.061 2.774 1.00 0.00 N ATOM 107 CA VAL A 8 -8.276 6.954 2.353 1.00 0.00 C ATOM 108 C VAL A 8 -9.469 6.825 3.301 1.00 0.00 C ATOM 109 O VAL A 8 -9.302 6.763 4.521 1.00 0.00 O ATOM 110 CB VAL A 8 -7.487 5.622 2.280 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.912 5.248 3.637 1.00 0.00 C ATOM 112 CG2 VAL A 8 -8.361 4.495 1.740 1.00 0.00 C ATOM 0 H VAL A 8 -6.630 7.792 3.346 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.637 7.167 1.347 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.657 5.770 1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.364 4.309 3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.236 6.034 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.723 5.132 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.782 3.573 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.221 4.355 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.706 4.751 0.738 1.00 0.00 H new ATOM 122 N PRO A 9 -10.692 6.838 2.748 1.00 0.00 N ATOM 123 CA PRO A 9 -11.920 6.721 3.540 1.00 0.00 C ATOM 124 C PRO A 9 -11.929 5.484 4.437 1.00 0.00 C ATOM 125 O PRO A 9 -11.341 4.451 4.104 1.00 0.00 O ATOM 126 CB PRO A 9 -13.020 6.621 2.480 1.00 0.00 C ATOM 127 CG PRO A 9 -12.450 7.292 1.279 1.00 0.00 C ATOM 128 CD PRO A 9 -10.979 6.995 1.309 1.00 0.00 C ATOM 0 HA PRO A 9 -12.040 7.562 4.223 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.274 5.582 2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.935 7.112 2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.907 6.914 0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.633 8.366 1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.740 6.090 0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.396 7.804 0.869 1.00 0.00 H new ATOM 136 N GLN A 10 -12.605 5.601 5.571 1.00 0.00 N ATOM 137 CA GLN A 10 -12.702 4.514 6.536 1.00 0.00 C ATOM 138 C GLN A 10 -13.397 3.309 5.904 1.00 0.00 C ATOM 139 O GLN A 10 -13.024 2.159 6.148 1.00 0.00 O ATOM 140 CB GLN A 10 -13.469 4.993 7.768 1.00 0.00 C ATOM 141 CG GLN A 10 -13.588 3.956 8.871 1.00 0.00 C ATOM 142 CD GLN A 10 -14.308 4.496 10.088 1.00 0.00 C ATOM 143 OE1 GLN A 10 -13.687 5.034 11.006 1.00 0.00 O ATOM 144 NE2 GLN A 10 -15.625 4.374 10.096 1.00 0.00 N ATOM 0 H GLN A 10 -13.100 6.449 5.848 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.701 4.209 6.840 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.974 5.878 8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.470 5.298 7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.122 3.085 8.492 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.592 3.619 9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -16.100 3.921 9.315 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.166 4.733 10.883 1.00 0.00 H new ATOM 153 N SER A 11 -14.389 3.595 5.070 1.00 0.00 N ATOM 154 CA SER A 11 -15.100 2.569 4.327 1.00 0.00 C ATOM 155 C SER A 11 -14.160 1.864 3.356 1.00 0.00 C ATOM 156 O SER A 11 -14.181 0.639 3.231 1.00 0.00 O ATOM 157 CB SER A 11 -16.255 3.219 3.571 1.00 0.00 C ATOM 158 OG SER A 11 -15.843 4.458 3.008 1.00 0.00 O ATOM 0 H SER A 11 -14.721 4.543 4.892 1.00 0.00 H new ATOM 0 HA SER A 11 -15.489 1.822 5.019 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.603 2.552 2.783 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.095 3.380 4.246 1.00 0.00 H new ATOM 0 HG SER A 11 -16.593 4.863 2.525 1.00 0.00 H new ATOM 164 N SER A 12 -13.325 2.649 2.684 1.00 0.00 N ATOM 165 CA SER A 12 -12.355 2.109 1.750 1.00 0.00 C ATOM 166 C SER A 12 -11.359 1.206 2.469 1.00 0.00 C ATOM 167 O SER A 12 -11.052 0.115 1.989 1.00 0.00 O ATOM 168 CB SER A 12 -11.612 3.239 1.042 1.00 0.00 C ATOM 169 OG SER A 12 -12.513 4.109 0.386 1.00 0.00 O ATOM 0 H SER A 12 -13.304 3.665 2.772 1.00 0.00 H new ATOM 0 HA SER A 12 -12.892 1.517 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.022 3.800 1.767 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.913 2.821 0.318 1.00 0.00 H new ATOM 0 HG SER A 12 -12.078 4.498 -0.401 1.00 0.00 H new ATOM 175 N ARG A 13 -10.866 1.655 3.628 1.00 0.00 N ATOM 176 CA ARG A 13 -9.919 0.858 4.405 1.00 0.00 C ATOM 177 C ARG A 13 -10.491 -0.522 4.674 1.00 0.00 C ATOM 178 O ARG A 13 -9.873 -1.523 4.338 1.00 0.00 O ATOM 179 CB ARG A 13 -9.560 1.527 5.734 1.00 0.00 C ATOM 180 CG ARG A 13 -8.751 2.803 5.589 1.00 0.00 C ATOM 181 CD ARG A 13 -8.116 3.206 6.915 1.00 0.00 C ATOM 182 NE ARG A 13 -7.048 2.282 7.323 1.00 0.00 N ATOM 183 CZ ARG A 13 -6.868 1.841 8.574 1.00 0.00 C ATOM 184 NH1 ARG A 13 -7.734 2.164 9.525 1.00 0.00 N ATOM 185 NH2 ARG A 13 -5.831 1.060 8.871 1.00 0.00 N ATOM 0 H ARG A 13 -11.105 2.556 4.043 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.008 0.774 3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.479 1.752 6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.997 0.820 6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.973 2.661 4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.395 3.607 5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.709 4.214 6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.883 3.236 7.689 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.401 1.955 6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.539 2.750 9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.595 1.827 10.478 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.168 0.794 8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.700 0.728 9.826 1.00 0.00 H new ATOM 199 N LEU A 14 -11.689 -0.557 5.248 1.00 0.00 N ATOM 200 CA LEU A 14 -12.362 -1.808 5.581 1.00 0.00 C ATOM 201 C LEU A 14 -12.589 -2.671 4.342 1.00 0.00 C ATOM 202 O LEU A 14 -12.467 -3.892 4.389 1.00 0.00 O ATOM 203 CB LEU A 14 -13.698 -1.499 6.246 1.00 0.00 C ATOM 204 CG LEU A 14 -13.606 -0.928 7.659 1.00 0.00 C ATOM 205 CD1 LEU A 14 -14.994 -0.642 8.209 1.00 0.00 C ATOM 206 CD2 LEU A 14 -12.854 -1.881 8.577 1.00 0.00 C ATOM 0 H LEU A 14 -12.220 0.278 5.495 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.723 -2.368 6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.242 -0.791 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.289 -2.414 6.279 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.052 0.010 7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.909 -0.236 9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.498 0.081 7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.571 -1.566 8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.800 -1.455 9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.377 -2.836 8.617 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.845 -2.035 8.194 1.00 0.00 H new ATOM 218 N LYS A 15 -12.901 -2.009 3.240 1.00 0.00 N ATOM 219 CA LYS A 15 -13.204 -2.671 1.976 1.00 0.00 C ATOM 220 C LYS A 15 -12.051 -3.553 1.500 1.00 0.00 C ATOM 221 O LYS A 15 -12.258 -4.717 1.161 1.00 0.00 O ATOM 222 CB LYS A 15 -13.535 -1.598 0.935 1.00 0.00 C ATOM 223 CG LYS A 15 -13.902 -2.120 -0.446 1.00 0.00 C ATOM 224 CD LYS A 15 -14.225 -0.963 -1.380 1.00 0.00 C ATOM 225 CE LYS A 15 -14.558 -1.431 -2.786 1.00 0.00 C ATOM 226 NZ LYS A 15 -14.888 -0.284 -3.675 1.00 0.00 N ATOM 0 H LYS A 15 -12.952 -0.991 3.194 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.059 -3.332 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.363 -0.996 1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.677 -0.933 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.077 -2.705 -0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.760 -2.788 -0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.067 -0.399 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.375 -0.282 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.712 -1.981 -3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.401 -2.121 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.011 -0.625 -4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.769 0.164 -3.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.115 0.411 -3.646 1.00 0.00 H new ATOM 240 N TYR A 16 -10.838 -3.015 1.483 1.00 0.00 N ATOM 241 CA TYR A 16 -9.688 -3.792 1.023 1.00 0.00 C ATOM 242 C TYR A 16 -9.020 -4.492 2.202 1.00 0.00 C ATOM 243 O TYR A 16 -8.227 -5.407 2.020 1.00 0.00 O ATOM 244 CB TYR A 16 -8.660 -2.906 0.304 1.00 0.00 C ATOM 245 CG TYR A 16 -9.237 -1.677 -0.370 1.00 0.00 C ATOM 246 CD1 TYR A 16 -10.128 -1.775 -1.435 1.00 0.00 C ATOM 247 CD2 TYR A 16 -8.881 -0.411 0.067 1.00 0.00 C ATOM 248 CE1 TYR A 16 -10.647 -0.639 -2.037 1.00 0.00 C ATOM 249 CE2 TYR A 16 -9.395 0.723 -0.528 1.00 0.00 C ATOM 250 CZ TYR A 16 -10.275 0.608 -1.579 1.00 0.00 C ATOM 251 OH TYR A 16 -10.777 1.746 -2.174 1.00 0.00 O ATOM 0 H TYR A 16 -10.624 -2.062 1.776 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.055 -4.535 0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.908 -2.587 1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.146 -3.507 -0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.419 -2.750 -1.798 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.188 -0.310 0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.339 -0.730 -2.861 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.107 1.700 -0.169 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.475 1.499 -2.816 1.00 0.00 H new ATOM 261 N ARG A 17 -9.341 -4.051 3.412 1.00 0.00 N ATOM 262 CA ARG A 17 -8.863 -4.714 4.620 1.00 0.00 C ATOM 263 C ARG A 17 -9.528 -6.072 4.746 1.00 0.00 C ATOM 264 O ARG A 17 -8.990 -6.984 5.353 1.00 0.00 O ATOM 265 CB ARG A 17 -9.158 -3.862 5.854 1.00 0.00 C ATOM 266 CG ARG A 17 -8.552 -4.392 7.143 1.00 0.00 C ATOM 267 CD ARG A 17 -8.748 -3.397 8.268 1.00 0.00 C ATOM 268 NE ARG A 17 -8.247 -3.891 9.549 1.00 0.00 N ATOM 269 CZ ARG A 17 -7.287 -3.288 10.253 1.00 0.00 C ATOM 270 NH1 ARG A 17 -6.670 -2.220 9.760 1.00 0.00 N ATOM 271 NH2 ARG A 17 -6.935 -3.761 11.445 1.00 0.00 N ATOM 0 H ARG A 17 -9.931 -3.237 3.583 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.783 -4.846 4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.786 -2.852 5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.238 -3.787 5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.015 -5.343 7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.489 -4.584 7.000 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.239 -2.466 8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.809 -3.165 8.362 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.655 -4.746 9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.930 -1.859 8.842 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.936 -1.760 10.300 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.399 -4.587 11.823 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.201 -3.298 11.981 1.00 0.00 H new ATOM 285 N GLN A 18 -10.706 -6.181 4.145 1.00 0.00 N ATOM 286 CA GLN A 18 -11.500 -7.393 4.137 1.00 0.00 C ATOM 287 C GLN A 18 -10.899 -8.441 3.210 1.00 0.00 C ATOM 288 O GLN A 18 -11.257 -9.615 3.249 1.00 0.00 O ATOM 289 CB GLN A 18 -12.874 -7.015 3.624 1.00 0.00 C ATOM 290 CG GLN A 18 -13.992 -7.847 4.200 1.00 0.00 C ATOM 291 CD GLN A 18 -15.341 -7.531 3.580 1.00 0.00 C ATOM 292 OE1 GLN A 18 -15.432 -7.150 2.413 1.00 0.00 O ATOM 293 NE2 GLN A 18 -16.396 -7.690 4.359 1.00 0.00 N ATOM 0 H GLN A 18 -11.142 -5.409 3.640 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.538 -7.817 5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.060 -5.966 3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.885 -7.111 2.538 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.767 -8.903 4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.044 -7.682 5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.276 -8.008 5.321 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.330 -7.495 3.999 1.00 0.00 H new ATOM 302 N LEU A 19 -9.993 -7.986 2.378 1.00 0.00 N ATOM 303 CA LEU A 19 -9.465 -8.781 1.266 1.00 0.00 C ATOM 304 C LEU A 19 -8.109 -8.270 0.854 1.00 0.00 C ATOM 305 O LEU A 19 -7.809 -8.293 -0.331 1.00 0.00 O ATOM 306 CB LEU A 19 -10.365 -8.540 0.068 1.00 0.00 C ATOM 307 CG LEU A 19 -10.486 -9.693 -0.932 1.00 0.00 C ATOM 308 CD1 LEU A 19 -11.029 -10.942 -0.264 1.00 0.00 C ATOM 309 CD2 LEU A 19 -11.368 -9.285 -2.103 1.00 0.00 C ATOM 0 H LEU A 19 -9.591 -7.051 2.443 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.412 -9.826 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.363 -8.298 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.998 -7.662 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.489 -9.923 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.104 -11.744 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.357 -11.247 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.016 -10.734 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.445 -10.114 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.361 -9.026 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.930 -8.423 -2.605 1.00 0.00 H new ATOM 321 N PHE A 20 -7.238 -7.889 1.769 1.00 0.00 N ATOM 322 CA PHE A 20 -6.646 -8.714 2.848 1.00 0.00 C ATOM 323 C PHE A 20 -7.513 -9.776 3.551 1.00 0.00 C ATOM 324 O PHE A 20 -7.471 -10.938 3.155 1.00 0.00 O ATOM 325 CB PHE A 20 -6.056 -7.774 3.902 1.00 0.00 C ATOM 326 CG PHE A 20 -4.788 -8.282 4.524 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.619 -8.344 3.781 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.757 -8.683 5.848 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.445 -8.800 4.347 1.00 0.00 C ATOM 330 CE2 PHE A 20 -3.585 -9.141 6.420 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.428 -9.199 5.668 1.00 0.00 C ATOM 0 H PHE A 20 -6.890 -6.931 1.795 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.914 -9.325 2.319 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.862 -6.805 3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.795 -7.613 4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.627 -8.032 2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.659 -8.638 6.441 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.542 -8.844 3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.574 -9.453 7.454 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.511 -9.556 6.113 1.00 0.00 H new ATOM 341 N ASN A 21 -8.296 -9.388 4.553 1.00 0.00 N ATOM 342 CA ASN A 21 -8.683 -10.292 5.663 1.00 0.00 C ATOM 343 C ASN A 21 -9.192 -11.675 5.233 1.00 0.00 C ATOM 344 O ASN A 21 -8.818 -12.676 5.841 1.00 0.00 O ATOM 345 CB ASN A 21 -9.736 -9.619 6.550 1.00 0.00 C ATOM 346 CG ASN A 21 -10.022 -10.410 7.814 1.00 0.00 C ATOM 347 OD1 ASN A 21 -10.923 -11.245 7.849 1.00 0.00 O ATOM 348 ND2 ASN A 21 -9.256 -10.146 8.858 1.00 0.00 N ATOM 0 H ASN A 21 -8.684 -8.448 4.631 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.759 -10.472 6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.394 -8.620 6.820 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.660 -9.498 5.984 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.402 -10.644 9.736 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.519 -9.445 8.785 1.00 0.00 H new ATOM 355 N SER A 22 -10.026 -11.748 4.204 1.00 0.00 N ATOM 356 CA SER A 22 -10.569 -13.027 3.756 1.00 0.00 C ATOM 357 C SER A 22 -9.461 -13.981 3.291 1.00 0.00 C ATOM 358 O SER A 22 -9.575 -15.198 3.438 1.00 0.00 O ATOM 359 CB SER A 22 -11.574 -12.797 2.633 1.00 0.00 C ATOM 360 OG SER A 22 -12.599 -11.903 3.035 1.00 0.00 O ATOM 0 H SER A 22 -10.341 -10.942 3.665 1.00 0.00 H new ATOM 0 HA SER A 22 -11.071 -13.495 4.603 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.061 -12.396 1.759 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.014 -13.749 2.335 1.00 0.00 H new ATOM 0 HG SER A 22 -12.322 -10.982 2.847 1.00 0.00 H new ATOM 366 N HIS A 23 -8.382 -13.420 2.757 1.00 0.00 N ATOM 367 CA HIS A 23 -7.260 -14.218 2.271 1.00 0.00 C ATOM 368 C HIS A 23 -6.241 -14.460 3.377 1.00 0.00 C ATOM 369 O HIS A 23 -5.514 -15.450 3.353 1.00 0.00 O ATOM 370 CB HIS A 23 -6.566 -13.531 1.090 1.00 0.00 C ATOM 371 CG HIS A 23 -7.270 -13.699 -0.221 1.00 0.00 C ATOM 372 ND1 HIS A 23 -6.921 -14.666 -1.137 1.00 0.00 N ATOM 373 CD2 HIS A 23 -8.290 -13.008 -0.780 1.00 0.00 C ATOM 374 CE1 HIS A 23 -7.692 -14.560 -2.200 1.00 0.00 C ATOM 375 NE2 HIS A 23 -8.531 -13.564 -2.009 1.00 0.00 N ATOM 0 H HIS A 23 -8.259 -12.413 2.649 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.665 -15.175 1.941 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.475 -12.467 1.306 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.554 -13.926 0.999 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.816 -12.174 -0.340 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.644 -15.185 -3.080 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.245 -13.256 -2.669 1.00 0.00 H new ATOM 384 N ASP A 24 -6.189 -13.551 4.343 1.00 0.00 N ATOM 385 CA ASP A 24 -5.206 -13.638 5.416 1.00 0.00 C ATOM 386 C ASP A 24 -5.465 -14.849 6.300 1.00 0.00 C ATOM 387 O ASP A 24 -6.585 -15.077 6.761 1.00 0.00 O ATOM 388 CB ASP A 24 -5.195 -12.365 6.263 1.00 0.00 C ATOM 389 CG ASP A 24 -4.231 -12.456 7.436 1.00 0.00 C ATOM 390 OD1 ASP A 24 -3.158 -13.084 7.293 1.00 0.00 O ATOM 391 OD2 ASP A 24 -4.547 -11.908 8.511 1.00 0.00 O ATOM 0 H ASP A 24 -6.814 -12.747 4.406 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.227 -13.751 4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.920 -11.517 5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.201 -12.172 6.637 1.00 0.00 H new ATOM 467 N HIS A 30 0.933 -10.144 5.862 1.00 0.00 N ATOM 468 CA HIS A 30 1.029 -9.615 4.485 1.00 0.00 C ATOM 469 C HIS A 30 0.691 -10.666 3.418 1.00 0.00 C ATOM 470 O HIS A 30 0.538 -11.854 3.701 1.00 0.00 O ATOM 471 CB HIS A 30 2.397 -8.950 4.198 1.00 0.00 C ATOM 472 CG HIS A 30 3.578 -9.864 4.110 1.00 0.00 C ATOM 473 ND1 HIS A 30 4.582 -9.873 5.049 1.00 0.00 N ATOM 474 CD2 HIS A 30 3.933 -10.773 3.174 1.00 0.00 C ATOM 475 CE1 HIS A 30 5.499 -10.751 4.701 1.00 0.00 C ATOM 476 NE2 HIS A 30 5.130 -11.315 3.565 1.00 0.00 N ATOM 0 HA HIS A 30 0.269 -8.837 4.420 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.319 -8.401 3.259 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.591 -8.217 4.981 1.00 0.00 H new ATOM 0 HD1 HIS A 30 4.612 -9.290 5.885 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.377 -11.025 2.283 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.401 -10.973 5.252 1.00 0.00 H new ATOM 485 N LEU A 31 0.538 -10.206 2.189 1.00 0.00 N ATOM 486 CA LEU A 31 0.309 -11.094 1.062 1.00 0.00 C ATOM 487 C LEU A 31 1.567 -11.171 0.205 1.00 0.00 C ATOM 488 O LEU A 31 2.433 -10.294 0.280 1.00 0.00 O ATOM 489 CB LEU A 31 -0.877 -10.608 0.223 1.00 0.00 C ATOM 490 CG LEU A 31 -2.231 -10.616 0.941 1.00 0.00 C ATOM 491 CD1 LEU A 31 -3.318 -10.068 0.028 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.585 -12.023 1.407 1.00 0.00 C ATOM 0 H LEU A 31 0.568 -9.216 1.945 1.00 0.00 H new ATOM 0 HA LEU A 31 0.072 -12.088 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.670 -9.593 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.952 -11.233 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.158 -9.974 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.274 -10.080 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.073 -9.045 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.387 -10.686 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.550 -12.006 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.639 -12.689 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.820 -12.382 2.095 1.00 0.00 H new ATOM 504 N THR A 32 1.672 -12.212 -0.605 1.00 0.00 N ATOM 505 CA THR A 32 2.853 -12.415 -1.426 1.00 0.00 C ATOM 506 C THR A 32 2.728 -11.683 -2.759 1.00 0.00 C ATOM 507 O THR A 32 1.647 -11.196 -3.108 1.00 0.00 O ATOM 508 CB THR A 32 3.106 -13.912 -1.680 1.00 0.00 C ATOM 509 OG1 THR A 32 1.916 -14.538 -2.180 1.00 0.00 O ATOM 510 CG2 THR A 32 3.553 -14.612 -0.405 1.00 0.00 C ATOM 0 H THR A 32 0.954 -12.929 -0.711 1.00 0.00 H new ATOM 0 HA THR A 32 3.701 -12.005 -0.877 1.00 0.00 H new ATOM 0 HB THR A 32 3.900 -13.998 -2.422 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.019 -15.512 -2.143 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.725 -15.668 -0.611 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.476 -14.157 -0.045 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.779 -14.512 0.356 1.00 0.00 H new ATOM 518 N GLY A 33 3.837 -11.612 -3.486 1.00 0.00 N ATOM 519 CA GLY A 33 3.864 -10.954 -4.783 1.00 0.00 C ATOM 520 C GLY A 33 2.779 -11.447 -5.725 1.00 0.00 C ATOM 521 O GLY A 33 1.911 -10.671 -6.122 1.00 0.00 O ATOM 0 H GLY A 33 4.732 -12.005 -3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.752 -9.879 -4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.838 -11.115 -5.245 1.00 0.00 H new ATOM 525 N PRO A 34 2.813 -12.739 -6.115 1.00 0.00 N ATOM 526 CA PRO A 34 1.796 -13.332 -6.993 1.00 0.00 C ATOM 527 C PRO A 34 0.366 -13.050 -6.529 1.00 0.00 C ATOM 528 O PRO A 34 -0.482 -12.670 -7.333 1.00 0.00 O ATOM 529 CB PRO A 34 2.095 -14.830 -6.916 1.00 0.00 C ATOM 530 CG PRO A 34 3.549 -14.909 -6.614 1.00 0.00 C ATOM 531 CD PRO A 34 3.861 -13.716 -5.751 1.00 0.00 C ATOM 0 HA PRO A 34 1.846 -12.918 -8.000 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.502 -15.313 -6.139 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.858 -15.330 -7.855 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.790 -15.838 -6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.139 -14.892 -7.530 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.824 -13.967 -4.691 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.859 -13.326 -5.951 1.00 0.00 H new ATOM 539 N GLN A 35 0.104 -13.220 -5.234 1.00 0.00 N ATOM 540 CA GLN A 35 -1.233 -12.989 -4.689 1.00 0.00 C ATOM 541 C GLN A 35 -1.655 -11.535 -4.884 1.00 0.00 C ATOM 542 O GLN A 35 -2.752 -11.258 -5.370 1.00 0.00 O ATOM 543 CB GLN A 35 -1.292 -13.361 -3.204 1.00 0.00 C ATOM 544 CG GLN A 35 -1.223 -14.857 -2.948 1.00 0.00 C ATOM 545 CD GLN A 35 -1.427 -15.203 -1.485 1.00 0.00 C ATOM 546 OE1 GLN A 35 -2.551 -15.435 -1.040 1.00 0.00 O ATOM 547 NE2 GLN A 35 -0.343 -15.238 -0.729 1.00 0.00 N ATOM 0 H GLN A 35 0.796 -13.515 -4.545 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.928 -13.629 -5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.468 -12.873 -2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.215 -12.970 -2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.982 -15.361 -3.547 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.255 -15.235 -3.276 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.570 -15.039 -1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.420 -15.464 0.263 1.00 0.00 H new ATOM 556 N ALA A 36 -0.766 -10.615 -4.523 1.00 0.00 N ATOM 557 CA ALA A 36 -1.009 -9.188 -4.704 1.00 0.00 C ATOM 558 C ALA A 36 -1.278 -8.869 -6.173 1.00 0.00 C ATOM 559 O ALA A 36 -2.258 -8.206 -6.508 1.00 0.00 O ATOM 560 CB ALA A 36 0.183 -8.393 -4.197 1.00 0.00 C ATOM 0 H ALA A 36 0.136 -10.835 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.892 -8.907 -4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.005 -7.328 -4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.335 -8.600 -3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.075 -8.679 -4.754 1.00 0.00 H new ATOM 566 N ARG A 37 -0.416 -9.385 -7.046 1.00 0.00 N ATOM 567 CA ARG A 37 -0.514 -9.146 -8.482 1.00 0.00 C ATOM 568 C ARG A 37 -1.796 -9.739 -9.063 1.00 0.00 C ATOM 569 O ARG A 37 -2.402 -9.156 -9.959 1.00 0.00 O ATOM 570 CB ARG A 37 0.701 -9.746 -9.194 1.00 0.00 C ATOM 571 CG ARG A 37 1.975 -8.920 -9.079 1.00 0.00 C ATOM 572 CD ARG A 37 3.150 -9.672 -9.688 1.00 0.00 C ATOM 573 NE ARG A 37 4.324 -8.830 -9.913 1.00 0.00 N ATOM 574 CZ ARG A 37 5.391 -9.220 -10.618 1.00 0.00 C ATOM 575 NH1 ARG A 37 5.455 -10.454 -11.111 1.00 0.00 N ATOM 576 NH2 ARG A 37 6.397 -8.380 -10.825 1.00 0.00 N ATOM 0 H ARG A 37 0.368 -9.979 -6.778 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.539 -8.068 -8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.890 -10.740 -8.787 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.461 -9.874 -10.249 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.844 -7.964 -9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.180 -8.699 -8.031 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.424 -10.497 -9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.839 -10.110 -10.636 1.00 0.00 H new ATOM 0 HE ARG A 37 4.329 -7.893 -9.510 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.688 -11.107 -10.952 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.271 -10.747 -11.648 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.358 -7.434 -10.446 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.210 -8.680 -11.363 1.00 0.00 H new ATOM 590 N THR A 38 -2.206 -10.888 -8.546 1.00 0.00 N ATOM 591 CA THR A 38 -3.412 -11.551 -9.021 1.00 0.00 C ATOM 592 C THR A 38 -4.643 -10.691 -8.753 1.00 0.00 C ATOM 593 O THR A 38 -5.480 -10.494 -9.634 1.00 0.00 O ATOM 594 CB THR A 38 -3.581 -12.932 -8.354 1.00 0.00 C ATOM 595 OG1 THR A 38 -2.449 -13.763 -8.658 1.00 0.00 O ATOM 596 CG2 THR A 38 -4.854 -13.621 -8.825 1.00 0.00 C ATOM 0 H THR A 38 -1.721 -11.381 -7.797 1.00 0.00 H new ATOM 0 HA THR A 38 -3.310 -11.694 -10.097 1.00 0.00 H new ATOM 0 HB THR A 38 -3.650 -12.778 -7.277 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.725 -13.574 -8.025 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.944 -14.591 -8.337 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.717 -13.005 -8.570 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.814 -13.760 -9.905 1.00 0.00 H new ATOM 604 N ILE A 39 -4.732 -10.154 -7.544 1.00 0.00 N ATOM 605 CA ILE A 39 -5.842 -9.287 -7.181 1.00 0.00 C ATOM 606 C ILE A 39 -5.769 -7.983 -7.973 1.00 0.00 C ATOM 607 O ILE A 39 -6.790 -7.405 -8.349 1.00 0.00 O ATOM 608 CB ILE A 39 -5.858 -9.002 -5.664 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.907 -10.323 -4.883 1.00 0.00 C ATOM 610 CG2 ILE A 39 -7.048 -8.124 -5.297 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.833 -10.156 -3.379 1.00 0.00 C ATOM 0 H ILE A 39 -4.050 -10.304 -6.800 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.771 -9.800 -7.430 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.945 -8.469 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.829 -10.847 -5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.081 -10.956 -5.209 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.043 -7.934 -4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.981 -7.178 -5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.973 -8.632 -5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.874 -11.135 -2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.899 -9.661 -3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.673 -9.551 -3.038 1.00 0.00 H new ATOM 623 N LEU A 40 -4.549 -7.539 -8.246 1.00 0.00 N ATOM 624 CA LEU A 40 -4.327 -6.361 -9.076 1.00 0.00 C ATOM 625 C LEU A 40 -4.932 -6.547 -10.466 1.00 0.00 C ATOM 626 O LEU A 40 -5.554 -5.637 -11.008 1.00 0.00 O ATOM 627 CB LEU A 40 -2.828 -6.068 -9.200 1.00 0.00 C ATOM 628 CG LEU A 40 -2.142 -5.595 -7.917 1.00 0.00 C ATOM 629 CD1 LEU A 40 -0.680 -5.274 -8.181 1.00 0.00 C ATOM 630 CD2 LEU A 40 -2.862 -4.390 -7.330 1.00 0.00 C ATOM 0 H LEU A 40 -3.695 -7.978 -7.903 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.819 -5.516 -8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.326 -6.971 -9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.686 -5.308 -9.969 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.189 -6.403 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.208 -4.939 -7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.172 -6.167 -8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.610 -4.486 -8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.356 -4.072 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.855 -3.574 -8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.892 -4.659 -7.098 1.00 0.00 H new ATOM 642 N MET A 41 -4.764 -7.742 -11.024 1.00 0.00 N ATOM 643 CA MET A 41 -5.250 -8.050 -12.368 1.00 0.00 C ATOM 644 C MET A 41 -6.777 -8.042 -12.436 1.00 0.00 C ATOM 645 O MET A 41 -7.353 -7.863 -13.510 1.00 0.00 O ATOM 646 CB MET A 41 -4.733 -9.413 -12.831 1.00 0.00 C ATOM 647 CG MET A 41 -3.226 -9.476 -13.015 1.00 0.00 C ATOM 648 SD MET A 41 -2.668 -11.097 -13.581 1.00 0.00 S ATOM 649 CE MET A 41 -0.894 -10.849 -13.596 1.00 0.00 C ATOM 0 H MET A 41 -4.291 -8.520 -10.563 1.00 0.00 H new ATOM 0 HA MET A 41 -4.871 -7.270 -13.029 1.00 0.00 H new ATOM 0 HB2 MET A 41 -5.031 -10.169 -12.104 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.214 -9.671 -13.774 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.919 -8.717 -13.735 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.737 -9.236 -12.071 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.401 -11.764 -13.925 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.646 -10.037 -14.280 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.554 -10.595 -12.592 1.00 0.00 H new ATOM 659 N GLN A 42 -7.423 -8.208 -11.287 1.00 0.00 N ATOM 660 CA GLN A 42 -8.882 -8.302 -11.228 1.00 0.00 C ATOM 661 C GLN A 42 -9.544 -6.981 -11.625 1.00 0.00 C ATOM 662 O GLN A 42 -10.743 -6.939 -11.906 1.00 0.00 O ATOM 663 CB GLN A 42 -9.339 -8.703 -9.819 1.00 0.00 C ATOM 664 CG GLN A 42 -8.708 -9.990 -9.299 1.00 0.00 C ATOM 665 CD GLN A 42 -9.122 -11.229 -10.075 1.00 0.00 C ATOM 666 OE1 GLN A 42 -9.417 -11.167 -11.264 1.00 0.00 O ATOM 667 NE2 GLN A 42 -9.147 -12.370 -9.400 1.00 0.00 N ATOM 0 H GLN A 42 -6.961 -8.281 -10.381 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.189 -9.069 -11.939 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.105 -7.892 -9.129 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.423 -8.818 -9.820 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.623 -9.894 -9.337 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.980 -10.120 -8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.895 -12.383 -8.412 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.418 -13.234 -9.869 1.00 0.00 H new ATOM 676 N SER A 43 -8.758 -5.913 -11.655 1.00 0.00 N ATOM 677 CA SER A 43 -9.276 -4.589 -11.976 1.00 0.00 C ATOM 678 C SER A 43 -9.310 -4.355 -13.486 1.00 0.00 C ATOM 679 O SER A 43 -9.962 -3.424 -13.958 1.00 0.00 O ATOM 680 CB SER A 43 -8.410 -3.521 -11.309 1.00 0.00 C ATOM 681 OG SER A 43 -7.070 -3.594 -11.767 1.00 0.00 O ATOM 0 H SER A 43 -7.757 -5.938 -11.461 1.00 0.00 H new ATOM 0 HA SER A 43 -10.297 -4.525 -11.600 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.817 -2.533 -11.522 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.436 -3.650 -10.227 1.00 0.00 H new ATOM 0 HG SER A 43 -6.548 -4.160 -11.161 1.00 0.00 H new ATOM 687 N SER A 44 -8.590 -5.201 -14.229 1.00 0.00 N ATOM 688 CA SER A 44 -8.481 -5.078 -15.684 1.00 0.00 C ATOM 689 C SER A 44 -7.760 -3.788 -16.085 1.00 0.00 C ATOM 690 O SER A 44 -7.815 -3.370 -17.245 1.00 0.00 O ATOM 691 CB SER A 44 -9.868 -5.140 -16.335 1.00 0.00 C ATOM 692 OG SER A 44 -10.489 -6.387 -16.081 1.00 0.00 O ATOM 0 H SER A 44 -8.069 -5.987 -13.840 1.00 0.00 H new ATOM 0 HA SER A 44 -7.887 -5.918 -16.043 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.492 -4.333 -15.950 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.777 -4.987 -17.410 1.00 0.00 H new ATOM 0 HG SER A 44 -11.373 -6.404 -16.504 1.00 0.00 H new ATOM 698 N LEU A 45 -7.063 -3.176 -15.134 1.00 0.00 N ATOM 699 CA LEU A 45 -6.331 -1.946 -15.399 1.00 0.00 C ATOM 700 C LEU A 45 -5.068 -2.228 -16.203 1.00 0.00 C ATOM 701 O LEU A 45 -4.515 -3.331 -16.136 1.00 0.00 O ATOM 702 CB LEU A 45 -5.970 -1.244 -14.088 1.00 0.00 C ATOM 703 CG LEU A 45 -7.160 -0.761 -13.258 1.00 0.00 C ATOM 704 CD1 LEU A 45 -6.681 -0.139 -11.957 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.995 0.235 -14.050 1.00 0.00 C ATOM 0 H LEU A 45 -6.990 -3.512 -14.174 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.976 -1.291 -15.985 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.377 -1.927 -13.480 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.335 -0.388 -14.316 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.786 -1.621 -13.020 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.540 0.200 -11.378 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.125 -0.880 -11.382 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.034 0.710 -12.176 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.837 0.567 -13.443 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.380 1.094 -14.318 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.367 -0.242 -14.957 1.00 0.00 H new ATOM 717 N PRO A 46 -4.618 -1.242 -16.996 1.00 0.00 N ATOM 718 CA PRO A 46 -3.371 -1.336 -17.758 1.00 0.00 C ATOM 719 C PRO A 46 -2.171 -1.644 -16.867 1.00 0.00 C ATOM 720 O PRO A 46 -2.070 -1.146 -15.743 1.00 0.00 O ATOM 721 CB PRO A 46 -3.219 0.054 -18.381 1.00 0.00 C ATOM 722 CG PRO A 46 -4.598 0.608 -18.419 1.00 0.00 C ATOM 723 CD PRO A 46 -5.308 0.039 -17.224 1.00 0.00 C ATOM 0 HA PRO A 46 -3.407 -2.144 -18.489 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.557 0.683 -17.787 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.789 -0.006 -19.381 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.582 1.697 -18.381 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.105 0.329 -19.343 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.230 0.697 -16.359 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.371 -0.106 -17.419 1.00 0.00 H new ATOM 731 N GLN A 47 -1.266 -2.465 -17.384 1.00 0.00 N ATOM 732 CA GLN A 47 -0.056 -2.856 -16.668 1.00 0.00 C ATOM 733 C GLN A 47 0.773 -1.625 -16.299 1.00 0.00 C ATOM 734 O GLN A 47 1.444 -1.610 -15.268 1.00 0.00 O ATOM 735 CB GLN A 47 0.756 -3.834 -17.534 1.00 0.00 C ATOM 736 CG GLN A 47 2.014 -4.385 -16.877 1.00 0.00 C ATOM 737 CD GLN A 47 3.282 -3.698 -17.354 1.00 0.00 C ATOM 738 OE1 GLN A 47 3.883 -4.104 -18.352 1.00 0.00 O ATOM 739 NE2 GLN A 47 3.698 -2.658 -16.652 1.00 0.00 N ATOM 0 H GLN A 47 -1.349 -2.880 -18.312 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.331 -3.356 -15.739 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.113 -4.670 -17.811 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.038 -3.329 -18.458 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.931 -4.273 -15.796 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.087 -5.453 -17.082 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.173 -2.353 -15.832 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.544 -2.161 -16.930 1.00 0.00 H new ATOM 748 N ALA A 48 0.714 -0.598 -17.144 1.00 0.00 N ATOM 749 CA ALA A 48 1.380 0.674 -16.861 1.00 0.00 C ATOM 750 C ALA A 48 0.868 1.268 -15.551 1.00 0.00 C ATOM 751 O ALA A 48 1.649 1.615 -14.662 1.00 0.00 O ATOM 752 CB ALA A 48 1.166 1.653 -18.009 1.00 0.00 C ATOM 0 H ALA A 48 0.212 -0.621 -18.031 1.00 0.00 H new ATOM 0 HA ALA A 48 2.449 0.488 -16.759 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.668 2.594 -17.783 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.578 1.233 -18.927 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.099 1.833 -18.140 1.00 0.00 H new ATOM 758 N GLN A 49 -0.454 1.359 -15.433 1.00 0.00 N ATOM 759 CA GLN A 49 -1.091 1.827 -14.207 1.00 0.00 C ATOM 760 C GLN A 49 -0.719 0.923 -13.040 1.00 0.00 C ATOM 761 O GLN A 49 -0.321 1.398 -11.978 1.00 0.00 O ATOM 762 CB GLN A 49 -2.612 1.853 -14.376 1.00 0.00 C ATOM 763 CG GLN A 49 -3.121 2.994 -15.241 1.00 0.00 C ATOM 764 CD GLN A 49 -3.127 4.322 -14.507 1.00 0.00 C ATOM 765 OE1 GLN A 49 -2.148 5.066 -14.524 1.00 0.00 O ATOM 766 NE2 GLN A 49 -4.240 4.624 -13.856 1.00 0.00 N ATOM 0 H GLN A 49 -1.107 1.113 -16.177 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.739 2.838 -14.000 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.934 0.908 -14.813 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.075 1.923 -13.392 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.497 3.077 -16.131 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.131 2.766 -15.580 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.029 3.978 -13.868 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.308 5.503 -13.343 1.00 0.00 H new ATOM 775 N LEU A 50 -0.820 -0.382 -13.268 1.00 0.00 N ATOM 776 CA LEU A 50 -0.533 -1.381 -12.249 1.00 0.00 C ATOM 777 C LEU A 50 0.896 -1.253 -11.725 1.00 0.00 C ATOM 778 O LEU A 50 1.131 -1.346 -10.521 1.00 0.00 O ATOM 779 CB LEU A 50 -0.765 -2.778 -12.826 1.00 0.00 C ATOM 780 CG LEU A 50 -2.225 -3.123 -13.126 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.332 -4.531 -13.694 1.00 0.00 C ATOM 782 CD2 LEU A 50 -3.078 -2.983 -11.872 1.00 0.00 C ATOM 0 H LEU A 50 -1.103 -0.776 -14.165 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.206 -1.217 -11.407 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.189 -2.874 -13.746 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.371 -3.514 -12.125 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.599 -2.422 -13.872 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.377 -4.761 -13.902 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.756 -4.596 -14.617 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.940 -5.246 -12.970 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.113 -3.233 -12.106 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.707 -3.659 -11.102 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.026 -1.957 -11.509 1.00 0.00 H new ATOM 794 N ALA A 51 1.843 -1.024 -12.628 1.00 0.00 N ATOM 795 CA ALA A 51 3.240 -0.868 -12.244 1.00 0.00 C ATOM 796 C ALA A 51 3.430 0.373 -11.382 1.00 0.00 C ATOM 797 O ALA A 51 4.124 0.331 -10.367 1.00 0.00 O ATOM 798 CB ALA A 51 4.131 -0.789 -13.474 1.00 0.00 C ATOM 0 H ALA A 51 1.669 -0.942 -13.630 1.00 0.00 H new ATOM 0 HA ALA A 51 3.526 -1.743 -11.661 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.170 -0.673 -13.164 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.027 -1.703 -14.058 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.836 0.066 -14.083 1.00 0.00 H new ATOM 804 N SER A 52 2.796 1.469 -11.783 1.00 0.00 N ATOM 805 CA SER A 52 2.901 2.720 -11.052 1.00 0.00 C ATOM 806 C SER A 52 2.297 2.558 -9.659 1.00 0.00 C ATOM 807 O SER A 52 2.878 2.988 -8.665 1.00 0.00 O ATOM 808 CB SER A 52 2.194 3.846 -11.818 1.00 0.00 C ATOM 809 OG SER A 52 2.628 5.123 -11.376 1.00 0.00 O ATOM 0 H SER A 52 2.204 1.513 -12.612 1.00 0.00 H new ATOM 0 HA SER A 52 3.953 2.985 -10.950 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.391 3.742 -12.885 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.116 3.759 -11.683 1.00 0.00 H new ATOM 0 HG SER A 52 2.162 5.820 -11.883 1.00 0.00 H new ATOM 815 N ILE A 53 1.134 1.915 -9.601 1.00 0.00 N ATOM 816 CA ILE A 53 0.459 1.644 -8.337 1.00 0.00 C ATOM 817 C ILE A 53 1.323 0.765 -7.438 1.00 0.00 C ATOM 818 O ILE A 53 1.481 1.052 -6.255 1.00 0.00 O ATOM 819 CB ILE A 53 -0.904 0.954 -8.572 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.827 1.868 -9.379 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.551 0.575 -7.245 1.00 0.00 C ATOM 822 CD1 ILE A 53 -3.105 1.197 -9.831 1.00 0.00 C ATOM 0 H ILE A 53 0.637 1.570 -10.422 1.00 0.00 H new ATOM 0 HA ILE A 53 0.290 2.602 -7.845 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.736 0.040 -9.141 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.079 2.740 -8.775 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.289 2.231 -10.254 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.509 0.091 -7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.898 -0.110 -6.704 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.709 1.473 -6.648 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.708 1.907 -10.397 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.863 0.342 -10.462 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.666 0.858 -8.960 1.00 0.00 H new ATOM 834 N TRP A 54 1.889 -0.295 -8.010 1.00 0.00 N ATOM 835 CA TRP A 54 2.764 -1.187 -7.260 1.00 0.00 C ATOM 836 C TRP A 54 3.966 -0.424 -6.724 1.00 0.00 C ATOM 837 O TRP A 54 4.293 -0.519 -5.543 1.00 0.00 O ATOM 838 CB TRP A 54 3.242 -2.345 -8.139 1.00 0.00 C ATOM 839 CG TRP A 54 4.111 -3.320 -7.406 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.464 -3.242 -7.225 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.685 -4.517 -6.747 1.00 0.00 C ATOM 842 NE1 TRP A 54 5.903 -4.317 -6.494 1.00 0.00 N ATOM 843 CE2 TRP A 54 4.829 -5.114 -6.190 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.448 -5.144 -6.577 1.00 0.00 C ATOM 845 CZ2 TRP A 54 4.769 -6.305 -5.469 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.391 -6.325 -5.864 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.546 -6.895 -5.318 1.00 0.00 C ATOM 0 H TRP A 54 1.757 -0.555 -8.987 1.00 0.00 H new ATOM 0 HA TRP A 54 2.194 -1.592 -6.424 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.375 -2.870 -8.540 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.793 -1.944 -8.989 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.095 -2.450 -7.602 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.870 -4.494 -6.221 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.551 -4.712 -6.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.658 -6.746 -5.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.439 -6.817 -5.726 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.469 -7.820 -4.766 1.00 0.00 H new ATOM 858 N ASN A 55 4.615 0.325 -7.606 1.00 0.00 N ATOM 859 CA ASN A 55 5.797 1.100 -7.245 1.00 0.00 C ATOM 860 C ASN A 55 5.477 2.080 -6.117 1.00 0.00 C ATOM 861 O ASN A 55 6.303 2.328 -5.237 1.00 0.00 O ATOM 862 CB ASN A 55 6.314 1.858 -8.476 1.00 0.00 C ATOM 863 CG ASN A 55 7.694 2.466 -8.281 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.528 1.824 -7.479 1.00 0.00 O flip ATOM 865 ND2 ASN A 55 8.014 3.500 -8.862 1.00 0.00 N flip ATOM 0 H ASN A 55 4.341 0.413 -8.584 1.00 0.00 H new ATOM 0 HA ASN A 55 6.570 0.417 -6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.343 1.176 -9.326 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.609 2.651 -8.727 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.346 3.969 -9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.948 3.889 -8.733 1.00 0.00 H new ATOM 872 N LEU A 56 4.270 2.628 -6.157 1.00 0.00 N ATOM 873 CA LEU A 56 3.793 3.542 -5.128 1.00 0.00 C ATOM 874 C LEU A 56 3.439 2.807 -3.832 1.00 0.00 C ATOM 875 O LEU A 56 3.704 3.301 -2.739 1.00 0.00 O ATOM 876 CB LEU A 56 2.572 4.306 -5.647 1.00 0.00 C ATOM 877 CG LEU A 56 2.869 5.365 -6.715 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.587 6.057 -7.152 1.00 0.00 C ATOM 879 CD2 LEU A 56 3.870 6.384 -6.192 1.00 0.00 C ATOM 0 H LEU A 56 3.595 2.452 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 56 4.598 4.240 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.862 3.588 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.082 4.792 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 56 3.304 4.866 -7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.818 6.805 -7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.899 5.320 -7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.124 6.542 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.069 7.128 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.461 6.877 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.799 5.879 -5.927 1.00 0.00 H new ATOM 891 N SER A 57 2.840 1.630 -3.964 1.00 0.00 N ATOM 892 CA SER A 57 2.354 0.881 -2.814 1.00 0.00 C ATOM 893 C SER A 57 3.489 0.179 -2.076 1.00 0.00 C ATOM 894 O SER A 57 3.490 0.117 -0.847 1.00 0.00 O ATOM 895 CB SER A 57 1.314 -0.141 -3.266 1.00 0.00 C ATOM 896 OG SER A 57 0.772 -0.852 -2.167 1.00 0.00 O ATOM 0 H SER A 57 2.679 1.172 -4.861 1.00 0.00 H new ATOM 0 HA SER A 57 1.898 1.589 -2.122 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.513 0.367 -3.803 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.771 -0.842 -3.964 1.00 0.00 H new ATOM 0 HG SER A 57 0.342 -0.223 -1.550 1.00 0.00 H new ATOM 902 N ASP A 58 4.435 -0.366 -2.829 1.00 0.00 N ATOM 903 CA ASP A 58 5.596 -1.033 -2.251 1.00 0.00 C ATOM 904 C ASP A 58 6.495 -0.003 -1.570 1.00 0.00 C ATOM 905 O ASP A 58 7.213 0.752 -2.233 1.00 0.00 O ATOM 906 CB ASP A 58 6.339 -1.803 -3.353 1.00 0.00 C ATOM 907 CG ASP A 58 7.683 -2.353 -2.920 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.726 -3.389 -2.215 1.00 0.00 O ATOM 909 OD2 ASP A 58 8.707 -1.762 -3.316 1.00 0.00 O ATOM 0 H ASP A 58 4.421 -0.359 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 58 5.282 -1.749 -1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.712 -2.628 -3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.486 -1.143 -4.208 1.00 0.00 H new ATOM 914 N ILE A 59 6.422 0.032 -0.241 1.00 0.00 N ATOM 915 CA ILE A 59 7.029 1.097 0.552 1.00 0.00 C ATOM 916 C ILE A 59 8.555 1.076 0.501 1.00 0.00 C ATOM 917 O ILE A 59 9.170 2.010 -0.017 1.00 0.00 O ATOM 918 CB ILE A 59 6.566 1.032 2.029 1.00 0.00 C ATOM 919 CG1 ILE A 59 5.042 1.178 2.120 1.00 0.00 C ATOM 920 CG2 ILE A 59 7.255 2.109 2.857 1.00 0.00 C ATOM 921 CD1 ILE A 59 4.509 2.486 1.569 1.00 0.00 C ATOM 0 H ILE A 59 5.941 -0.676 0.315 1.00 0.00 H new ATOM 0 HA ILE A 59 6.690 2.031 0.104 1.00 0.00 H new ATOM 0 HB ILE A 59 6.846 0.059 2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.576 0.353 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.741 1.087 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.916 2.046 3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.334 1.962 2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.009 3.091 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.424 2.509 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.943 3.318 2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.776 2.573 0.516 1.00 0.00 H new ATOM 933 N ASP A 60 9.172 0.030 1.041 1.00 0.00 N ATOM 934 CA ASP A 60 10.630 0.007 1.169 1.00 0.00 C ATOM 935 C ASP A 60 11.239 -1.063 0.272 1.00 0.00 C ATOM 936 O ASP A 60 12.372 -1.502 0.477 1.00 0.00 O ATOM 937 CB ASP A 60 11.033 -0.215 2.632 1.00 0.00 C ATOM 938 CG ASP A 60 12.518 -0.002 2.880 1.00 0.00 C ATOM 939 OD1 ASP A 60 13.044 1.068 2.508 1.00 0.00 O ATOM 940 OD2 ASP A 60 13.162 -0.898 3.468 1.00 0.00 O ATOM 0 H ASP A 60 8.697 -0.802 1.393 1.00 0.00 H new ATOM 0 HA ASP A 60 11.018 0.973 0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.464 0.464 3.267 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.763 -1.229 2.927 1.00 0.00 H new ATOM 945 N GLN A 61 10.481 -1.454 -0.739 1.00 0.00 N ATOM 946 CA GLN A 61 10.924 -2.434 -1.725 1.00 0.00 C ATOM 947 C GLN A 61 11.059 -3.821 -1.108 1.00 0.00 C ATOM 948 O GLN A 61 12.130 -4.218 -0.638 1.00 0.00 O ATOM 949 CB GLN A 61 12.235 -2.002 -2.391 1.00 0.00 C ATOM 950 CG GLN A 61 12.163 -0.616 -3.012 1.00 0.00 C ATOM 951 CD GLN A 61 13.460 -0.199 -3.670 1.00 0.00 C ATOM 952 OE1 GLN A 61 14.193 -1.029 -4.207 1.00 0.00 O ATOM 953 NE2 GLN A 61 13.757 1.090 -3.623 1.00 0.00 N ATOM 0 H GLN A 61 9.538 -1.101 -0.902 1.00 0.00 H new ATOM 0 HA GLN A 61 10.158 -2.486 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 61 13.034 -2.020 -1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.499 -2.725 -3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.363 -0.596 -3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.903 0.109 -2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.120 1.744 -3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.623 1.430 -4.042 1.00 0.00 H new ATOM 962 N ASP A 62 9.947 -4.535 -1.083 1.00 0.00 N ATOM 963 CA ASP A 62 9.922 -5.916 -0.619 1.00 0.00 C ATOM 964 C ASP A 62 9.136 -6.785 -1.593 1.00 0.00 C ATOM 965 O ASP A 62 9.384 -7.984 -1.718 1.00 0.00 O ATOM 966 CB ASP A 62 9.318 -6.007 0.787 1.00 0.00 C ATOM 967 CG ASP A 62 9.305 -7.430 1.334 1.00 0.00 C ATOM 968 OD1 ASP A 62 10.240 -8.204 1.032 1.00 0.00 O ATOM 969 OD2 ASP A 62 8.371 -7.779 2.086 1.00 0.00 O ATOM 0 H ASP A 62 9.039 -4.178 -1.382 1.00 0.00 H new ATOM 0 HA ASP A 62 10.948 -6.282 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.886 -5.368 1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.299 -5.622 0.765 1.00 0.00 H new ATOM 974 N GLY A 63 8.198 -6.172 -2.304 1.00 0.00 N ATOM 975 CA GLY A 63 7.413 -6.907 -3.270 1.00 0.00 C ATOM 976 C GLY A 63 6.350 -7.757 -2.606 1.00 0.00 C ATOM 977 O GLY A 63 5.915 -8.768 -3.154 1.00 0.00 O ATOM 0 H GLY A 63 7.969 -5.181 -2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.940 -6.208 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.070 -7.544 -3.862 1.00 0.00 H new ATOM 981 N LYS A 64 5.951 -7.348 -1.411 1.00 0.00 N ATOM 982 CA LYS A 64 4.912 -8.029 -0.659 1.00 0.00 C ATOM 983 C LYS A 64 4.010 -6.983 -0.033 1.00 0.00 C ATOM 984 O LYS A 64 4.496 -6.061 0.615 1.00 0.00 O ATOM 985 CB LYS A 64 5.521 -8.909 0.438 1.00 0.00 C ATOM 986 CG LYS A 64 6.568 -9.886 -0.071 1.00 0.00 C ATOM 987 CD LYS A 64 7.290 -10.581 1.069 1.00 0.00 C ATOM 988 CE LYS A 64 8.474 -11.390 0.563 1.00 0.00 C ATOM 989 NZ LYS A 64 9.413 -10.560 -0.236 1.00 0.00 N ATOM 0 H LYS A 64 6.340 -6.533 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 64 4.342 -8.672 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.973 -8.269 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.723 -9.468 0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.091 -10.631 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.291 -9.355 -0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.635 -9.839 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.597 -11.237 1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.005 -11.825 1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.113 -12.219 -0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.332 -11.043 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.025 -10.419 -1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.540 -9.637 0.226 1.00 0.00 H new ATOM 1003 N LEU A 65 2.714 -7.116 -0.234 1.00 0.00 N ATOM 1004 CA LEU A 65 1.774 -6.114 0.244 1.00 0.00 C ATOM 1005 C LEU A 65 1.218 -6.495 1.604 1.00 0.00 C ATOM 1006 O LEU A 65 0.542 -7.515 1.748 1.00 0.00 O ATOM 1007 CB LEU A 65 0.627 -5.925 -0.758 1.00 0.00 C ATOM 1008 CG LEU A 65 1.033 -5.339 -2.114 1.00 0.00 C ATOM 1009 CD1 LEU A 65 -0.199 -5.045 -2.956 1.00 0.00 C ATOM 1010 CD2 LEU A 65 1.870 -4.081 -1.925 1.00 0.00 C ATOM 0 H LEU A 65 2.286 -7.903 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 65 2.313 -5.172 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.150 -6.891 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.122 -5.273 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 65 1.640 -6.075 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.107 -4.629 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.756 -5.968 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.833 -4.327 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.149 -3.680 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.290 -3.337 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.771 -4.325 -1.362 1.00 0.00 H new ATOM 1022 N THR A 66 1.531 -5.689 2.605 1.00 0.00 N ATOM 1023 CA THR A 66 0.956 -5.857 3.928 1.00 0.00 C ATOM 1024 C THR A 66 -0.483 -5.341 3.944 1.00 0.00 C ATOM 1025 O THR A 66 -1.046 -5.023 2.895 1.00 0.00 O ATOM 1026 CB THR A 66 1.771 -5.099 4.993 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.768 -3.700 4.693 1.00 0.00 O ATOM 1028 CG2 THR A 66 3.208 -5.601 5.065 1.00 0.00 C ATOM 0 H THR A 66 2.183 -4.909 2.525 1.00 0.00 H new ATOM 0 HA THR A 66 0.974 -6.921 4.163 1.00 0.00 H new ATOM 0 HB THR A 66 1.304 -5.276 5.962 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.552 -3.481 4.147 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.751 -5.042 5.827 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.211 -6.661 5.321 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.692 -5.460 4.098 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.073 -5.245 5.127 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.447 -4.777 5.250 1.00 0.00 C ATOM 1038 C ALA A 67 -2.572 -3.316 4.822 1.00 0.00 C ATOM 1039 O ALA A 67 -3.377 -2.983 3.951 1.00 0.00 O ATOM 1040 CB ALA A 67 -2.945 -4.962 6.674 1.00 0.00 C ATOM 0 H ALA A 67 -0.625 -5.484 6.012 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.069 -5.375 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.973 -4.607 6.749 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.905 -6.019 6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.314 -4.393 7.357 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.750 -2.458 5.415 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.790 -1.036 5.136 1.00 0.00 C ATOM 1048 C GLU A 68 -1.416 -0.737 3.685 1.00 0.00 C ATOM 1049 O GLU A 68 -1.957 0.185 3.075 1.00 0.00 O ATOM 1050 CB GLU A 68 -0.839 -0.313 6.080 1.00 0.00 C ATOM 1051 CG GLU A 68 -1.503 0.765 6.913 1.00 0.00 C ATOM 1052 CD GLU A 68 -2.533 0.222 7.886 1.00 0.00 C ATOM 1053 OE1 GLU A 68 -2.147 -0.142 9.018 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -3.731 0.174 7.531 1.00 0.00 O ATOM 0 H GLU A 68 -1.043 -2.731 6.098 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.809 -0.683 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.380 -1.043 6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.035 0.136 5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.738 1.307 7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.984 1.483 6.249 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.499 -1.524 3.127 1.00 0.00 N ATOM 1062 CA GLU A 69 -0.050 -1.305 1.758 1.00 0.00 C ATOM 1063 C GLU A 69 -1.130 -1.736 0.779 1.00 0.00 C ATOM 1064 O GLU A 69 -1.395 -1.055 -0.210 1.00 0.00 O ATOM 1065 CB GLU A 69 1.246 -2.069 1.483 1.00 0.00 C ATOM 1066 CG GLU A 69 2.446 -1.529 2.243 1.00 0.00 C ATOM 1067 CD GLU A 69 3.636 -2.465 2.190 1.00 0.00 C ATOM 1068 OE1 GLU A 69 3.492 -3.617 2.651 1.00 0.00 O ATOM 1069 OE2 GLU A 69 4.715 -2.059 1.702 1.00 0.00 O ATOM 0 H GLU A 69 -0.056 -2.313 3.599 1.00 0.00 H new ATOM 0 HA GLU A 69 0.145 -0.241 1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.102 -3.117 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.458 -2.034 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.730 -0.562 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.167 -1.360 3.283 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.766 -2.860 1.078 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.810 -3.399 0.224 1.00 0.00 C ATOM 1078 C PHE A 70 -3.987 -2.428 0.141 1.00 0.00 C ATOM 1079 O PHE A 70 -4.556 -2.219 -0.933 1.00 0.00 O ATOM 1080 CB PHE A 70 -3.274 -4.754 0.755 1.00 0.00 C ATOM 1081 CG PHE A 70 -4.171 -5.489 -0.191 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -5.536 -5.268 -0.179 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -3.648 -6.397 -1.096 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -6.364 -5.935 -1.053 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -4.473 -7.073 -1.973 1.00 0.00 C ATOM 1086 CZ PHE A 70 -5.834 -6.841 -1.950 1.00 0.00 C ATOM 0 H PHE A 70 -1.574 -3.417 1.910 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.406 -3.535 -0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.401 -5.370 0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.798 -4.606 1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.957 -4.564 0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.584 -6.578 -1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.428 -5.750 -1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.055 -7.780 -2.674 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.484 -7.368 -2.633 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.335 -1.830 1.278 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.404 -0.837 1.329 1.00 0.00 C ATOM 1098 C ILE A 71 -5.087 0.338 0.409 1.00 0.00 C ATOM 1099 O ILE A 71 -5.949 0.808 -0.337 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.634 -0.315 2.770 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -6.118 -1.454 3.672 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.632 0.840 2.778 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.284 -1.053 5.122 1.00 0.00 C ATOM 0 H ILE A 71 -3.891 -2.016 2.177 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.317 -1.329 0.993 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.686 0.059 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.071 -1.824 3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.409 -2.280 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.777 1.189 3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.248 1.657 2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.585 0.500 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.629 -1.911 5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.327 -0.711 5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.015 -0.248 5.195 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.845 0.801 0.462 1.00 0.00 N ATOM 1116 CA LEU A 72 -3.393 1.888 -0.395 1.00 0.00 C ATOM 1117 C LEU A 72 -3.461 1.480 -1.866 1.00 0.00 C ATOM 1118 O LEU A 72 -4.025 2.200 -2.695 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.961 2.288 -0.025 1.00 0.00 C ATOM 1120 CG LEU A 72 -1.357 3.416 -0.862 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -2.158 4.699 -0.690 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.097 3.636 -0.476 1.00 0.00 C ATOM 0 H LEU A 72 -3.130 0.438 1.093 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.052 2.743 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.945 2.588 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.322 1.410 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.397 3.129 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.712 5.490 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.186 4.532 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.150 4.995 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.516 4.442 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.157 3.904 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.662 2.721 -0.651 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.906 0.313 -2.172 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.854 -0.187 -3.541 1.00 0.00 C ATOM 1136 C ALA A 73 -4.246 -0.348 -4.142 1.00 0.00 C ATOM 1137 O ALA A 73 -4.532 0.201 -5.204 1.00 0.00 O ATOM 1138 CB ALA A 73 -2.109 -1.513 -3.588 1.00 0.00 C ATOM 0 H ALA A 73 -2.482 -0.309 -1.484 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.320 0.551 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.077 -1.876 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.092 -1.372 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.623 -2.242 -2.962 1.00 0.00 H new ATOM 1144 N MET A 74 -5.121 -1.082 -3.463 1.00 0.00 N ATOM 1145 CA MET A 74 -6.454 -1.331 -3.999 1.00 0.00 C ATOM 1146 C MET A 74 -7.295 -0.069 -4.018 1.00 0.00 C ATOM 1147 O MET A 74 -8.278 0.003 -4.747 1.00 0.00 O ATOM 1148 CB MET A 74 -7.189 -2.432 -3.240 1.00 0.00 C ATOM 1149 CG MET A 74 -6.970 -3.818 -3.823 1.00 0.00 C ATOM 1150 SD MET A 74 -8.328 -4.947 -3.447 1.00 0.00 S ATOM 1151 CE MET A 74 -9.675 -4.173 -4.341 1.00 0.00 C ATOM 0 H MET A 74 -4.936 -1.509 -2.555 1.00 0.00 H new ATOM 0 HA MET A 74 -6.307 -1.669 -5.025 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.861 -2.427 -2.201 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.256 -2.211 -3.238 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.855 -3.740 -4.904 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.040 -4.230 -3.432 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.420 -3.809 -3.633 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.291 -3.337 -4.926 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.135 -4.902 -5.009 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.920 0.925 -3.225 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.609 2.203 -3.277 1.00 0.00 C ATOM 1163 C HIS A 75 -7.234 2.928 -4.558 1.00 0.00 C ATOM 1164 O HIS A 75 -8.072 3.568 -5.190 1.00 0.00 O ATOM 1165 CB HIS A 75 -7.282 3.068 -2.060 1.00 0.00 C ATOM 1166 CG HIS A 75 -8.119 4.310 -1.975 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -9.487 4.282 -1.791 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -7.781 5.617 -2.060 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -9.948 5.518 -1.756 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -8.934 6.348 -1.920 1.00 0.00 N ATOM 0 H HIS A 75 -6.157 0.873 -2.550 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.683 2.015 -3.264 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.425 2.479 -1.154 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.229 3.349 -2.094 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -10.053 3.438 -1.697 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.787 6.012 -2.210 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.980 5.803 -1.617 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.972 2.806 -4.944 1.00 0.00 N ATOM 1180 CA LEU A 76 -5.510 3.342 -6.212 1.00 0.00 C ATOM 1181 C LEU A 76 -6.204 2.612 -7.360 1.00 0.00 C ATOM 1182 O LEU A 76 -6.627 3.231 -8.336 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.990 3.207 -6.327 1.00 0.00 C ATOM 1184 CG LEU A 76 -3.186 3.995 -5.289 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.692 3.747 -5.460 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -3.497 5.483 -5.387 1.00 0.00 C ATOM 0 H LEU A 76 -5.250 2.339 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.760 4.402 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.727 2.152 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.686 3.532 -7.322 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.477 3.648 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.141 4.317 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.483 2.685 -5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.383 4.062 -6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.916 6.026 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.238 5.844 -6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.560 5.645 -5.207 1.00 0.00 H new ATOM 1198 N ILE A 77 -6.328 1.293 -7.220 1.00 0.00 N ATOM 1199 CA ILE A 77 -7.083 0.478 -8.172 1.00 0.00 C ATOM 1200 C ILE A 77 -8.540 0.936 -8.231 1.00 0.00 C ATOM 1201 O ILE A 77 -9.108 1.077 -9.308 1.00 0.00 O ATOM 1202 CB ILE A 77 -7.028 -1.040 -7.810 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.816 -1.716 -8.456 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.306 -1.765 -8.223 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -4.490 -1.300 -7.870 1.00 0.00 C ATOM 0 H ILE A 77 -5.913 0.764 -6.453 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.618 0.612 -9.149 1.00 0.00 H new ATOM 0 HB ILE A 77 -6.933 -1.105 -6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.921 -2.796 -8.357 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.815 -1.492 -9.523 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.230 -2.819 -7.955 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.159 -1.321 -7.709 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.444 -1.674 -9.300 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.685 -1.825 -8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.359 -0.225 -7.993 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.467 -1.549 -6.809 1.00 0.00 H new ATOM 1217 N ASP A 78 -9.125 1.186 -7.065 1.00 0.00 N ATOM 1218 CA ASP A 78 -10.540 1.542 -6.960 1.00 0.00 C ATOM 1219 C ASP A 78 -10.818 2.870 -7.664 1.00 0.00 C ATOM 1220 O ASP A 78 -11.834 3.026 -8.345 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.946 1.629 -5.485 1.00 0.00 C ATOM 1222 CG ASP A 78 -12.427 1.379 -5.254 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -13.145 1.046 -6.220 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -12.876 1.491 -4.090 1.00 0.00 O ATOM 0 H ASP A 78 -8.638 1.149 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.131 0.767 -7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.368 0.903 -4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.687 2.616 -5.102 1.00 0.00 H new ATOM 1229 N VAL A 79 -9.905 3.821 -7.506 1.00 0.00 N ATOM 1230 CA VAL A 79 -10.033 5.120 -8.161 1.00 0.00 C ATOM 1231 C VAL A 79 -9.737 5.009 -9.655 1.00 0.00 C ATOM 1232 O VAL A 79 -10.475 5.546 -10.479 1.00 0.00 O ATOM 1233 CB VAL A 79 -9.097 6.174 -7.525 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -9.212 7.513 -8.243 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -9.416 6.340 -6.050 1.00 0.00 C ATOM 0 H VAL A 79 -9.069 3.719 -6.931 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.064 5.446 -8.023 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.071 5.821 -7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.543 8.235 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.937 7.389 -9.290 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.238 7.874 -8.178 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.750 7.085 -5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.449 6.667 -5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -9.278 5.387 -5.539 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.672 4.292 -10.002 1.00 0.00 N ATOM 1246 CA ALA A 80 -8.296 4.111 -11.400 1.00 0.00 C ATOM 1247 C ALA A 80 -9.365 3.320 -12.151 1.00 0.00 C ATOM 1248 O ALA A 80 -9.565 3.510 -13.351 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.943 3.421 -11.507 1.00 0.00 C ATOM 0 H ALA A 80 -8.055 3.828 -9.335 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.216 5.096 -11.861 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.681 3.295 -12.557 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.185 4.029 -11.014 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.994 2.444 -11.026 1.00 0.00 H new ATOM 1255 N MET A 81 -10.056 2.442 -11.426 1.00 0.00 N ATOM 1256 CA MET A 81 -11.164 1.669 -11.963 1.00 0.00 C ATOM 1257 C MET A 81 -12.283 2.582 -12.470 1.00 0.00 C ATOM 1258 O MET A 81 -13.136 2.163 -13.248 1.00 0.00 O ATOM 1259 CB MET A 81 -11.689 0.756 -10.857 1.00 0.00 C ATOM 1260 CG MET A 81 -12.252 -0.556 -11.346 1.00 0.00 C ATOM 1261 SD MET A 81 -14.005 -0.476 -11.769 1.00 0.00 S ATOM 1262 CE MET A 81 -14.299 -2.171 -12.272 1.00 0.00 C ATOM 0 H MET A 81 -9.858 2.249 -10.444 1.00 0.00 H new ATOM 0 HA MET A 81 -10.816 1.079 -12.811 1.00 0.00 H new ATOM 0 HB2 MET A 81 -10.879 0.551 -10.157 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.464 1.286 -10.303 1.00 0.00 H new ATOM 0 HG2 MET A 81 -11.690 -0.879 -12.222 1.00 0.00 H new ATOM 0 HG3 MET A 81 -12.107 -1.314 -10.576 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.342 -2.288 -12.565 1.00 0.00 H new ATOM 0 HE2 MET A 81 -13.655 -2.417 -13.116 1.00 0.00 H new ATOM 0 HE3 MET A 81 -14.079 -2.841 -11.441 1.00 0.00 H new ATOM 1272 N SER A 82 -12.257 3.836 -12.034 1.00 0.00 N ATOM 1273 CA SER A 82 -13.258 4.813 -12.435 1.00 0.00 C ATOM 1274 C SER A 82 -12.878 5.447 -13.775 1.00 0.00 C ATOM 1275 O SER A 82 -13.607 6.284 -14.311 1.00 0.00 O ATOM 1276 CB SER A 82 -13.394 5.878 -11.345 1.00 0.00 C ATOM 1277 OG SER A 82 -13.606 5.276 -10.078 1.00 0.00 O ATOM 0 H SER A 82 -11.547 4.200 -11.398 1.00 0.00 H new ATOM 0 HA SER A 82 -14.219 4.315 -12.562 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.494 6.492 -11.315 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.225 6.543 -11.581 1.00 0.00 H new ATOM 0 HG SER A 82 -13.689 5.973 -9.394 1.00 0.00 H new ATOM 1283 N GLY A 83 -11.729 5.049 -14.311 1.00 0.00 N ATOM 1284 CA GLY A 83 -11.321 5.512 -15.622 1.00 0.00 C ATOM 1285 C GLY A 83 -10.314 6.644 -15.571 1.00 0.00 C ATOM 1286 O GLY A 83 -9.776 7.049 -16.604 1.00 0.00 O ATOM 0 H GLY A 83 -11.073 4.413 -13.859 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.892 4.678 -16.177 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -12.201 5.842 -16.173 1.00 0.00 H new ATOM 1290 N GLN A 84 -10.059 7.162 -14.379 1.00 0.00 N ATOM 1291 CA GLN A 84 -9.153 8.281 -14.216 1.00 0.00 C ATOM 1292 C GLN A 84 -7.728 7.805 -13.926 1.00 0.00 C ATOM 1293 O GLN A 84 -7.527 6.790 -13.255 1.00 0.00 O ATOM 1294 CB GLN A 84 -9.649 9.187 -13.091 1.00 0.00 C ATOM 1295 CG GLN A 84 -11.030 9.777 -13.344 1.00 0.00 C ATOM 1296 CD GLN A 84 -11.123 10.499 -14.676 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -11.489 9.906 -15.692 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -10.780 11.775 -14.686 1.00 0.00 N ATOM 0 H GLN A 84 -10.470 6.822 -13.510 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.132 8.843 -15.150 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.671 8.618 -12.161 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.937 10.000 -12.950 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.772 8.979 -13.315 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.277 10.471 -12.541 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.482 12.230 -13.823 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.813 12.305 -15.557 1.00 0.00 H new ATOM 1307 N PRO A 85 -6.723 8.528 -14.449 1.00 0.00 N ATOM 1308 CA PRO A 85 -5.310 8.216 -14.221 1.00 0.00 C ATOM 1309 C PRO A 85 -4.844 8.603 -12.818 1.00 0.00 C ATOM 1310 O PRO A 85 -5.586 9.221 -12.049 1.00 0.00 O ATOM 1311 CB PRO A 85 -4.570 9.054 -15.274 1.00 0.00 C ATOM 1312 CG PRO A 85 -5.630 9.637 -16.152 1.00 0.00 C ATOM 1313 CD PRO A 85 -6.876 9.697 -15.320 1.00 0.00 C ATOM 0 HA PRO A 85 -5.122 7.145 -14.302 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.978 9.839 -14.803 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.881 8.437 -15.851 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -5.345 10.630 -16.499 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.783 9.022 -17.039 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.941 10.624 -14.750 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.777 9.635 -15.931 1.00 0.00 H new ATOM 1321 N LEU A 86 -3.606 8.249 -12.497 1.00 0.00 N ATOM 1322 CA LEU A 86 -3.056 8.490 -11.172 1.00 0.00 C ATOM 1323 C LEU A 86 -1.814 9.375 -11.250 1.00 0.00 C ATOM 1324 O LEU A 86 -1.151 9.429 -12.288 1.00 0.00 O ATOM 1325 CB LEU A 86 -2.711 7.155 -10.509 1.00 0.00 C ATOM 1326 CG LEU A 86 -3.894 6.208 -10.296 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -3.407 4.876 -9.763 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -4.913 6.823 -9.344 1.00 0.00 C ATOM 0 H LEU A 86 -2.962 7.791 -13.142 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.804 9.009 -10.573 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.965 6.647 -11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.249 7.356 -9.543 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.383 6.044 -11.256 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.257 4.210 -9.615 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.716 4.429 -10.478 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.897 5.029 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.746 6.133 -9.207 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.440 7.017 -8.381 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.283 7.759 -9.762 1.00 0.00 H new ATOM 1340 N PRO A 87 -1.509 10.101 -10.159 1.00 0.00 N ATOM 1341 CA PRO A 87 -0.311 10.950 -10.067 1.00 0.00 C ATOM 1342 C PRO A 87 0.987 10.147 -10.192 1.00 0.00 C ATOM 1343 O PRO A 87 1.024 8.962 -9.864 1.00 0.00 O ATOM 1344 CB PRO A 87 -0.409 11.559 -8.660 1.00 0.00 C ATOM 1345 CG PRO A 87 -1.843 11.430 -8.279 1.00 0.00 C ATOM 1346 CD PRO A 87 -2.328 10.173 -8.938 1.00 0.00 C ATOM 0 HA PRO A 87 -0.279 11.685 -10.871 1.00 0.00 H new ATOM 0 HB2 PRO A 87 0.235 11.031 -7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.093 12.602 -8.659 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -1.957 11.373 -7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.416 12.294 -8.615 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.180 9.301 -8.301 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.392 10.223 -9.168 1.00 0.00 H new ATOM 1354 N PRO A 88 2.074 10.791 -10.655 1.00 0.00 N ATOM 1355 CA PRO A 88 3.384 10.137 -10.798 1.00 0.00 C ATOM 1356 C PRO A 88 4.017 9.800 -9.449 1.00 0.00 C ATOM 1357 O PRO A 88 4.748 8.818 -9.318 1.00 0.00 O ATOM 1358 CB PRO A 88 4.226 11.180 -11.540 1.00 0.00 C ATOM 1359 CG PRO A 88 3.579 12.485 -11.228 1.00 0.00 C ATOM 1360 CD PRO A 88 2.109 12.198 -11.090 1.00 0.00 C ATOM 0 HA PRO A 88 3.307 9.184 -11.321 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.263 11.163 -11.204 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.235 10.990 -12.613 1.00 0.00 H new ATOM 0 HG2 PRO A 88 3.981 12.910 -10.308 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.762 13.210 -12.021 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.638 12.856 -10.360 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.582 12.340 -12.033 1.00 0.00 H new ATOM 1368 N VAL A 89 3.737 10.627 -8.454 1.00 0.00 N ATOM 1369 CA VAL A 89 4.234 10.406 -7.107 1.00 0.00 C ATOM 1370 C VAL A 89 3.077 10.435 -6.121 1.00 0.00 C ATOM 1371 O VAL A 89 2.063 11.094 -6.368 1.00 0.00 O ATOM 1372 CB VAL A 89 5.287 11.459 -6.699 1.00 0.00 C ATOM 1373 CG1 VAL A 89 6.539 11.328 -7.556 1.00 0.00 C ATOM 1374 CG2 VAL A 89 4.716 12.868 -6.801 1.00 0.00 C ATOM 0 H VAL A 89 3.163 11.464 -8.557 1.00 0.00 H new ATOM 0 HA VAL A 89 4.716 9.429 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 89 5.560 11.277 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.268 12.079 -7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.967 10.334 -7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.280 11.477 -8.604 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.477 13.591 -6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.407 13.062 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.855 12.960 -6.140 1.00 0.00 H new ATOM 1384 N LEU A 90 3.221 9.724 -5.014 1.00 0.00 N ATOM 1385 CA LEU A 90 2.157 9.655 -4.028 1.00 0.00 C ATOM 1386 C LEU A 90 2.228 10.866 -3.102 1.00 0.00 C ATOM 1387 O LEU A 90 3.318 11.309 -2.735 1.00 0.00 O ATOM 1388 CB LEU A 90 2.289 8.357 -3.220 1.00 0.00 C ATOM 1389 CG LEU A 90 1.094 7.999 -2.340 1.00 0.00 C ATOM 1390 CD1 LEU A 90 -0.086 7.555 -3.194 1.00 0.00 C ATOM 1391 CD2 LEU A 90 1.478 6.918 -1.343 1.00 0.00 C ATOM 0 H LEU A 90 4.058 9.191 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 90 1.192 9.660 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.464 7.535 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.173 8.434 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 90 0.793 8.887 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.928 7.304 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.373 8.363 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.197 6.679 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.616 6.673 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.804 6.027 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.290 7.278 -0.711 1.00 0.00 H new ATOM 1403 N PRO A 91 1.067 11.425 -2.728 1.00 0.00 N ATOM 1404 CA PRO A 91 0.992 12.529 -1.773 1.00 0.00 C ATOM 1405 C PRO A 91 1.185 12.058 -0.332 1.00 0.00 C ATOM 1406 O PRO A 91 0.906 10.902 -0.007 1.00 0.00 O ATOM 1407 CB PRO A 91 -0.430 13.083 -1.960 1.00 0.00 C ATOM 1408 CG PRO A 91 -0.996 12.374 -3.147 1.00 0.00 C ATOM 1409 CD PRO A 91 -0.258 11.073 -3.245 1.00 0.00 C ATOM 0 HA PRO A 91 1.775 13.266 -1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.038 12.905 -1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -0.411 14.161 -2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.066 12.207 -3.027 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.865 12.965 -4.053 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -0.732 10.291 -2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -0.210 10.709 -4.271 1.00 0.00 H new ATOM 1417 N PRO A 92 1.649 12.955 0.556 1.00 0.00 N ATOM 1418 CA PRO A 92 1.876 12.633 1.972 1.00 0.00 C ATOM 1419 C PRO A 92 0.594 12.222 2.698 1.00 0.00 C ATOM 1420 O PRO A 92 0.638 11.549 3.730 1.00 0.00 O ATOM 1421 CB PRO A 92 2.430 13.936 2.563 1.00 0.00 C ATOM 1422 CG PRO A 92 2.036 15.001 1.596 1.00 0.00 C ATOM 1423 CD PRO A 92 2.017 14.346 0.247 1.00 0.00 C ATOM 0 HA PRO A 92 2.548 11.782 2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.014 14.128 3.552 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.513 13.888 2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.057 15.411 1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.744 15.830 1.618 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.293 14.816 -0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.988 14.406 -0.244 1.00 0.00 H new ATOM 1431 N GLU A 93 -0.548 12.618 2.141 1.00 0.00 N ATOM 1432 CA GLU A 93 -1.843 12.291 2.726 1.00 0.00 C ATOM 1433 C GLU A 93 -2.188 10.824 2.495 1.00 0.00 C ATOM 1434 O GLU A 93 -3.087 10.281 3.128 1.00 0.00 O ATOM 1435 CB GLU A 93 -2.938 13.176 2.127 1.00 0.00 C ATOM 1436 CG GLU A 93 -2.737 14.659 2.394 1.00 0.00 C ATOM 1437 CD GLU A 93 -2.766 14.999 3.869 1.00 0.00 C ATOM 1438 OE1 GLU A 93 -1.706 14.916 4.521 1.00 0.00 O ATOM 1439 OE2 GLU A 93 -3.846 15.366 4.382 1.00 0.00 O ATOM 0 H GLU A 93 -0.601 13.167 1.283 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.782 12.472 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.978 13.012 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.903 12.870 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.782 14.973 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.514 15.225 1.880 1.00 0.00 H new ATOM 1446 N TYR A 94 -1.474 10.182 1.585 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.752 8.795 1.265 1.00 0.00 C ATOM 1448 C TYR A 94 -0.659 7.878 1.790 1.00 0.00 C ATOM 1449 O TYR A 94 -0.633 6.690 1.480 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.941 8.618 -0.241 1.00 0.00 C ATOM 1451 CG TYR A 94 -3.276 9.130 -0.731 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -3.458 10.471 -1.036 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -4.358 8.270 -0.869 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -4.682 10.943 -1.467 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -5.585 8.734 -1.303 1.00 0.00 C ATOM 1456 CZ TYR A 94 -5.742 10.070 -1.599 1.00 0.00 C ATOM 1457 OH TYR A 94 -6.964 10.537 -2.025 1.00 0.00 O ATOM 0 H TYR A 94 -0.704 10.596 1.060 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.681 8.515 1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.142 9.141 -0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.849 7.561 -0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.630 11.156 -0.935 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.238 7.223 -0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.809 11.990 -1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.416 8.053 -1.410 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.602 9.794 -2.065 1.00 0.00 H new ATOM 1467 N ILE A 95 0.223 8.427 2.612 1.00 0.00 N ATOM 1468 CA ILE A 95 1.252 7.627 3.251 1.00 0.00 C ATOM 1469 C ILE A 95 0.723 7.085 4.577 1.00 0.00 C ATOM 1470 O ILE A 95 0.384 7.857 5.479 1.00 0.00 O ATOM 1471 CB ILE A 95 2.545 8.437 3.499 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.013 9.101 2.201 1.00 0.00 C ATOM 1473 CG2 ILE A 95 3.638 7.533 4.061 1.00 0.00 C ATOM 1474 CD1 ILE A 95 4.264 9.941 2.361 1.00 0.00 C ATOM 0 H ILE A 95 0.246 9.419 2.850 1.00 0.00 H new ATOM 0 HA ILE A 95 1.502 6.805 2.580 1.00 0.00 H new ATOM 0 HB ILE A 95 2.333 9.217 4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.198 8.328 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.211 9.730 1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.542 8.118 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.303 7.101 5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.850 6.734 3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.534 10.379 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.078 10.737 3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.081 9.313 2.716 1.00 0.00 H new ATOM 1486 N PRO A 96 0.633 5.751 4.710 1.00 0.00 N ATOM 1487 CA PRO A 96 0.044 5.113 5.892 1.00 0.00 C ATOM 1488 C PRO A 96 0.824 5.418 7.171 1.00 0.00 C ATOM 1489 O PRO A 96 2.042 5.608 7.133 1.00 0.00 O ATOM 1490 CB PRO A 96 0.126 3.613 5.577 1.00 0.00 C ATOM 1491 CG PRO A 96 0.350 3.524 4.104 1.00 0.00 C ATOM 1492 CD PRO A 96 1.097 4.767 3.722 1.00 0.00 C ATOM 0 HA PRO A 96 -0.969 5.473 6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.940 3.141 6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.792 3.101 5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.922 2.632 3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.597 3.458 3.569 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.176 4.621 3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.867 5.079 2.703 1.00 0.00 H new ATOM 1500 N PRO A 97 0.136 5.424 8.325 1.00 0.00 N ATOM 1501 CA PRO A 97 0.763 5.694 9.624 1.00 0.00 C ATOM 1502 C PRO A 97 1.750 4.600 10.007 1.00 0.00 C ATOM 1503 O PRO A 97 2.814 4.867 10.568 1.00 0.00 O ATOM 1504 CB PRO A 97 -0.418 5.718 10.607 1.00 0.00 C ATOM 1505 CG PRO A 97 -1.633 5.873 9.755 1.00 0.00 C ATOM 1506 CD PRO A 97 -1.310 5.197 8.456 1.00 0.00 C ATOM 0 HA PRO A 97 1.335 6.622 9.618 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.462 4.799 11.192 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.325 6.542 11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.503 5.417 10.228 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.870 6.926 9.600 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.553 4.135 8.481 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.865 5.631 7.624 1.00 0.00 H new ATOM 1514 N SER A 98 1.401 3.373 9.647 1.00 0.00 N ATOM 1515 CA SER A 98 2.196 2.204 9.985 1.00 0.00 C ATOM 1516 C SER A 98 3.479 2.129 9.149 1.00 0.00 C ATOM 1517 O SER A 98 4.263 1.194 9.293 1.00 0.00 O ATOM 1518 CB SER A 98 1.352 0.945 9.769 1.00 0.00 C ATOM 1519 OG SER A 98 0.070 1.083 10.371 1.00 0.00 O ATOM 0 H SER A 98 0.559 3.161 9.112 1.00 0.00 H new ATOM 0 HA SER A 98 2.493 2.280 11.031 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.238 0.757 8.701 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.865 0.081 10.192 1.00 0.00 H new ATOM 0 HG SER A 98 -0.603 0.642 9.812 1.00 0.00 H new ATOM 1525 N PHE A 99 3.694 3.110 8.274 1.00 0.00 N ATOM 1526 CA PHE A 99 4.888 3.123 7.440 1.00 0.00 C ATOM 1527 C PHE A 99 5.597 4.473 7.464 1.00 0.00 C ATOM 1528 O PHE A 99 6.826 4.524 7.436 1.00 0.00 O ATOM 1529 CB PHE A 99 4.543 2.734 6.005 1.00 0.00 C ATOM 1530 CG PHE A 99 4.208 1.280 5.862 1.00 0.00 C ATOM 1531 CD1 PHE A 99 5.214 0.328 5.816 1.00 0.00 C ATOM 1532 CD2 PHE A 99 2.892 0.862 5.785 1.00 0.00 C ATOM 1533 CE1 PHE A 99 4.911 -1.014 5.698 1.00 0.00 C ATOM 1534 CE2 PHE A 99 2.583 -0.477 5.664 1.00 0.00 C ATOM 1535 CZ PHE A 99 3.594 -1.416 5.622 1.00 0.00 C ATOM 0 H PHE A 99 3.062 3.897 8.127 1.00 0.00 H new ATOM 0 HA PHE A 99 5.576 2.387 7.857 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.698 3.332 5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.385 2.974 5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.247 0.639 5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.097 1.592 5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.703 -1.747 5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.551 -0.790 5.602 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.354 -2.465 5.530 1.00 0.00 H new ATOM 1545 N ARG A 100 4.831 5.561 7.515 1.00 0.00 N ATOM 1546 CA ARG A 100 5.418 6.902 7.509 1.00 0.00 C ATOM 1547 C ARG A 100 6.301 7.116 8.735 1.00 0.00 C ATOM 1548 O ARG A 100 7.322 7.802 8.662 1.00 0.00 O ATOM 1549 CB ARG A 100 4.330 7.978 7.419 1.00 0.00 C ATOM 1550 CG ARG A 100 3.444 8.069 8.643 1.00 0.00 C ATOM 1551 CD ARG A 100 2.219 8.932 8.383 1.00 0.00 C ATOM 1552 NE ARG A 100 2.576 10.265 7.898 1.00 0.00 N ATOM 1553 CZ ARG A 100 1.835 10.973 7.042 1.00 0.00 C ATOM 1554 NH1 ARG A 100 0.733 10.454 6.516 1.00 0.00 N ATOM 1555 NH2 ARG A 100 2.219 12.188 6.686 1.00 0.00 N ATOM 0 H ARG A 100 3.812 5.543 7.561 1.00 0.00 H new ATOM 0 HA ARG A 100 6.047 6.989 6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.804 8.946 7.255 1.00 0.00 H new ATOM 0 HB3 ARG A 100 3.707 7.777 6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.129 7.069 8.940 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.013 8.484 9.475 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.579 8.440 7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.640 9.024 9.302 1.00 0.00 H new ATOM 0 HE ARG A 100 3.445 10.680 8.235 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.446 9.507 6.765 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.173 11.002 5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.080 12.582 7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.654 12.730 6.032 1.00 0.00 H new