USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 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 30 ASN : amide:sc= 1.05 K(o=2.3,f=-4.1!) USER MOD Set 1.2: A 81 CYS SG : rot -85:sc= 1.21 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 149:sc= -0.26 (180deg=-1.27) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -39:sc= 0.154 USER MOD Single : A 20 TYR OH : rot -141:sc= 0.21 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.0963 K(o=0.096,f=-4.1!) USER MOD Single : A 41 LYS NZ :NH3+ -154:sc= 1.26 (180deg=1.18) USER MOD Single : A 42 TYR OH : rot -7:sc= 0.379 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= 1.24 (180deg=1.08) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.053 USER MOD Single : A 86 MET CE :methyl -110:sc= -0.577 (180deg=-5.19!) USER MOD Single : A 87 THR OG1 : rot -80:sc= 0.232 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 5 -12.604 -27.129 27.642 1.00 0.00 N ATOM 59 CA GLY A 5 -13.636 -28.109 27.866 1.00 0.00 C ATOM 60 C GLY A 5 -14.995 -27.644 27.406 1.00 0.00 C ATOM 61 O GLY A 5 -15.110 -26.664 26.671 1.00 0.00 O ATOM 0 HA2 GLY A 5 -13.376 -29.029 27.343 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.679 -28.348 28.929 1.00 0.00 H new ATOM 65 N SER A 6 -16.017 -28.354 27.830 1.00 0.00 N ATOM 66 CA SER A 6 -17.389 -28.026 27.490 1.00 0.00 C ATOM 67 C SER A 6 -18.225 -27.959 28.764 1.00 0.00 C ATOM 68 O SER A 6 -17.893 -28.607 29.760 1.00 0.00 O ATOM 69 CB SER A 6 -17.960 -29.073 26.528 1.00 0.00 C ATOM 70 OG SER A 6 -17.200 -29.132 25.328 1.00 0.00 O ATOM 0 H SER A 6 -15.922 -29.179 28.423 1.00 0.00 H new ATOM 0 HA SER A 6 -17.417 -27.055 26.995 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.962 -30.051 27.009 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.997 -28.830 26.294 1.00 0.00 H new ATOM 0 HG SER A 6 -17.583 -29.808 24.731 1.00 0.00 H new ATOM 76 N LEU A 7 -19.292 -27.187 28.738 1.00 0.00 N ATOM 77 CA LEU A 7 -20.131 -27.024 29.916 1.00 0.00 C ATOM 78 C LEU A 7 -21.426 -27.792 29.805 1.00 0.00 C ATOM 79 O LEU A 7 -22.058 -27.822 28.744 1.00 0.00 O ATOM 80 CB LEU A 7 -20.447 -25.547 30.181 1.00 0.00 C ATOM 81 CG LEU A 7 -19.266 -24.671 30.588 1.00 0.00 C ATOM 82 CD1 LEU A 7 -19.689 -23.210 30.665 1.00 0.00 C ATOM 83 CD2 LEU A 7 -18.717 -25.131 31.933 1.00 0.00 C ATOM 0 H LEU A 7 -19.601 -26.663 27.919 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.558 -27.427 30.751 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -20.893 -25.125 29.281 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.201 -25.493 30.966 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.484 -24.765 29.834 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.835 -22.599 30.957 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -20.052 -22.885 29.690 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.483 -23.100 31.403 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.874 -24.501 32.217 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.498 -25.055 32.690 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.386 -26.167 31.856 1.00 0.00 H new ATOM 95 N LYS A 8 -21.802 -28.427 30.898 1.00 0.00 N ATOM 96 CA LYS A 8 -23.078 -29.080 30.994 1.00 0.00 C ATOM 97 C LYS A 8 -24.078 -28.045 31.501 1.00 0.00 C ATOM 98 O LYS A 8 -24.067 -27.645 32.667 1.00 0.00 O ATOM 99 CB LYS A 8 -22.988 -30.321 31.910 1.00 0.00 C ATOM 100 CG LYS A 8 -22.641 -30.005 33.354 1.00 0.00 C ATOM 101 CD LYS A 8 -21.905 -31.149 34.055 1.00 0.00 C ATOM 102 CE LYS A 8 -22.750 -32.413 34.176 1.00 0.00 C ATOM 103 NZ LYS A 8 -22.722 -33.231 32.933 1.00 0.00 N ATOM 0 H LYS A 8 -21.228 -28.501 31.738 1.00 0.00 H new ATOM 0 HA LYS A 8 -23.407 -29.453 30.024 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -23.942 -30.848 31.884 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -22.237 -31.002 31.508 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -22.022 -29.108 33.386 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -23.556 -29.780 33.901 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.993 -31.379 33.504 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -21.603 -30.824 35.050 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.387 -33.012 35.011 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -23.780 -32.139 34.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.824 -34.237 33.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -23.505 -32.945 32.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.818 -33.084 32.441 1.00 0.00 H new ATOM 117 N VAL A 9 -24.892 -27.588 30.610 1.00 0.00 N ATOM 118 CA VAL A 9 -25.786 -26.501 30.879 1.00 0.00 C ATOM 119 C VAL A 9 -27.184 -27.021 31.148 1.00 0.00 C ATOM 120 O VAL A 9 -27.726 -27.803 30.373 1.00 0.00 O ATOM 121 CB VAL A 9 -25.757 -25.526 29.677 1.00 0.00 C ATOM 122 CG1 VAL A 9 -26.792 -24.439 29.769 1.00 0.00 C ATOM 123 CG2 VAL A 9 -24.384 -24.913 29.564 1.00 0.00 C ATOM 0 H VAL A 9 -24.960 -27.959 29.662 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.468 -25.965 31.773 1.00 0.00 H new ATOM 0 HB VAL A 9 -25.994 -26.109 28.787 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.717 -23.791 28.896 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.786 -24.885 29.806 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -26.624 -23.852 30.672 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.361 -24.226 28.718 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.152 -24.369 30.480 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -23.645 -25.700 29.412 1.00 0.00 H new ATOM 133 N TYR A 10 -27.752 -26.600 32.262 1.00 0.00 N ATOM 134 CA TYR A 10 -29.056 -27.071 32.673 1.00 0.00 C ATOM 135 C TYR A 10 -30.165 -26.198 32.084 1.00 0.00 C ATOM 136 O TYR A 10 -30.232 -24.992 32.336 1.00 0.00 O ATOM 137 CB TYR A 10 -29.123 -27.129 34.212 1.00 0.00 C ATOM 138 CG TYR A 10 -30.430 -27.647 34.784 1.00 0.00 C ATOM 139 CD1 TYR A 10 -30.705 -29.007 34.826 1.00 0.00 C ATOM 140 CD2 TYR A 10 -31.375 -26.776 35.294 1.00 0.00 C ATOM 141 CE1 TYR A 10 -31.889 -29.482 35.357 1.00 0.00 C ATOM 142 CE2 TYR A 10 -32.563 -27.243 35.828 1.00 0.00 C ATOM 143 CZ TYR A 10 -32.814 -28.593 35.857 1.00 0.00 C ATOM 144 OH TYR A 10 -33.997 -29.059 36.384 1.00 0.00 O ATOM 0 H TYR A 10 -27.326 -25.928 32.900 1.00 0.00 H new ATOM 0 HA TYR A 10 -29.212 -28.078 32.287 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -28.312 -27.762 34.571 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -28.944 -26.128 34.605 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -29.980 -29.707 34.437 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -31.183 -25.713 35.275 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -32.088 -30.543 35.380 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -33.291 -26.548 36.221 1.00 0.00 H new ATOM 0 HH TYR A 10 -34.538 -28.303 36.694 1.00 0.00 H new ATOM 154 N GLY A 11 -31.025 -26.828 31.304 1.00 0.00 N ATOM 155 CA GLY A 11 -32.115 -26.136 30.648 1.00 0.00 C ATOM 156 C GLY A 11 -33.462 -26.528 31.209 1.00 0.00 C ATOM 157 O GLY A 11 -34.476 -26.536 30.489 1.00 0.00 O ATOM 0 H GLY A 11 -30.986 -27.829 31.109 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -31.978 -25.060 30.757 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -32.091 -26.354 29.580 1.00 0.00 H new ATOM 161 N GLY A 12 -33.473 -26.882 32.491 1.00 0.00 N ATOM 162 CA GLY A 12 -34.704 -27.260 33.157 1.00 0.00 C ATOM 163 C GLY A 12 -35.722 -26.134 33.144 1.00 0.00 C ATOM 164 O GLY A 12 -35.388 -24.998 32.794 1.00 0.00 O ATOM 0 H GLY A 12 -32.643 -26.913 33.083 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -35.127 -28.138 32.668 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -34.488 -27.542 34.187 1.00 0.00 H new ATOM 168 N GLU A 13 -36.968 -26.451 33.514 1.00 0.00 N ATOM 169 CA GLU A 13 -38.085 -25.489 33.489 1.00 0.00 C ATOM 170 C GLU A 13 -38.562 -25.227 32.064 1.00 0.00 C ATOM 171 O GLU A 13 -39.755 -25.022 31.822 1.00 0.00 O ATOM 172 CB GLU A 13 -37.726 -24.173 34.193 1.00 0.00 C ATOM 173 CG GLU A 13 -37.602 -24.309 35.691 1.00 0.00 C ATOM 174 CD GLU A 13 -38.909 -24.710 36.320 1.00 0.00 C ATOM 175 OE1 GLU A 13 -39.893 -23.943 36.200 1.00 0.00 O ATOM 176 OE2 GLU A 13 -38.979 -25.793 36.918 1.00 0.00 O ATOM 0 H GLU A 13 -37.234 -27.380 33.840 1.00 0.00 H new ATOM 0 HA GLU A 13 -38.906 -25.944 34.043 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -36.785 -23.799 33.790 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -38.488 -23.428 33.965 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -36.840 -25.052 35.928 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -37.268 -23.363 36.117 1.00 0.00 H new ATOM 183 N ILE A 14 -37.635 -25.235 31.128 1.00 0.00 N ATOM 184 CA ILE A 14 -37.959 -25.041 29.737 1.00 0.00 C ATOM 185 C ILE A 14 -38.219 -26.391 29.075 1.00 0.00 C ATOM 186 O ILE A 14 -39.294 -26.627 28.521 1.00 0.00 O ATOM 187 CB ILE A 14 -36.810 -24.318 29.001 1.00 0.00 C ATOM 188 CG1 ILE A 14 -36.492 -22.994 29.700 1.00 0.00 C ATOM 189 CG2 ILE A 14 -37.184 -24.072 27.546 1.00 0.00 C ATOM 190 CD1 ILE A 14 -35.268 -22.290 29.154 1.00 0.00 C ATOM 0 H ILE A 14 -36.642 -25.376 31.313 1.00 0.00 H new ATOM 0 HA ILE A 14 -38.855 -24.423 29.676 1.00 0.00 H new ATOM 0 HB ILE A 14 -35.923 -24.951 29.026 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -37.352 -22.330 29.608 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -36.347 -23.182 30.764 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -36.364 -23.562 27.041 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -37.376 -25.025 27.054 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -38.080 -23.453 27.500 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -35.109 -21.360 29.701 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -34.396 -22.933 29.271 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -35.417 -22.069 28.097 1.00 0.00 H new ATOM 202 N VAL A 15 -37.240 -27.289 29.165 1.00 0.00 N ATOM 203 CA VAL A 15 -37.362 -28.622 28.585 1.00 0.00 C ATOM 204 C VAL A 15 -36.966 -29.693 29.614 1.00 0.00 C ATOM 205 O VAL A 15 -35.783 -29.966 29.818 1.00 0.00 O ATOM 206 CB VAL A 15 -36.485 -28.784 27.312 1.00 0.00 C ATOM 207 CG1 VAL A 15 -36.670 -30.164 26.704 1.00 0.00 C ATOM 208 CG2 VAL A 15 -36.813 -27.709 26.287 1.00 0.00 C ATOM 0 H VAL A 15 -36.352 -27.116 29.636 1.00 0.00 H new ATOM 0 HA VAL A 15 -38.406 -28.752 28.299 1.00 0.00 H new ATOM 0 HB VAL A 15 -35.442 -28.671 27.607 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -36.047 -30.256 25.814 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -36.380 -30.923 27.430 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -37.716 -30.304 26.431 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -36.186 -27.844 25.405 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -37.862 -27.786 26.002 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -36.626 -26.726 26.718 1.00 0.00 H new ATOM 218 N PRO A 16 -37.961 -30.297 30.290 1.00 0.00 N ATOM 219 CA PRO A 16 -37.721 -31.317 31.326 1.00 0.00 C ATOM 220 C PRO A 16 -37.144 -32.626 30.773 1.00 0.00 C ATOM 221 O PRO A 16 -36.496 -33.379 31.498 1.00 0.00 O ATOM 222 CB PRO A 16 -39.109 -31.562 31.921 1.00 0.00 C ATOM 223 CG PRO A 16 -40.063 -31.147 30.856 1.00 0.00 C ATOM 224 CD PRO A 16 -39.402 -30.032 30.100 1.00 0.00 C ATOM 0 HA PRO A 16 -36.979 -30.973 32.047 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -39.245 -32.610 32.186 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -39.256 -30.981 32.831 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -40.292 -31.982 30.194 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -41.007 -30.816 31.289 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -39.677 -30.043 29.045 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -39.686 -29.056 30.493 1.00 0.00 H new ATOM 232 N THR A 17 -37.373 -32.889 29.496 1.00 0.00 N ATOM 233 CA THR A 17 -36.881 -34.117 28.881 1.00 0.00 C ATOM 234 C THR A 17 -35.393 -33.991 28.514 1.00 0.00 C ATOM 235 O THR A 17 -34.742 -34.969 28.134 1.00 0.00 O ATOM 236 CB THR A 17 -37.715 -34.502 27.626 1.00 0.00 C ATOM 237 OG1 THR A 17 -37.418 -35.849 27.233 1.00 0.00 O ATOM 238 CG2 THR A 17 -37.425 -33.565 26.462 1.00 0.00 C ATOM 0 H THR A 17 -37.892 -32.276 28.867 1.00 0.00 H new ATOM 0 HA THR A 17 -36.992 -34.914 29.616 1.00 0.00 H new ATOM 0 HB THR A 17 -38.770 -34.416 27.888 1.00 0.00 H new ATOM 0 HG1 THR A 17 -36.458 -36.016 27.338 1.00 0.00 H new ATOM 0 HG21 THR A 17 -38.023 -33.860 25.600 1.00 0.00 H new ATOM 0 HG22 THR A 17 -37.677 -32.543 26.746 1.00 0.00 H new ATOM 0 HG23 THR A 17 -36.367 -33.620 26.206 1.00 0.00 H new ATOM 246 N ARG A 18 -34.862 -32.788 28.651 1.00 0.00 N ATOM 247 CA ARG A 18 -33.471 -32.522 28.339 1.00 0.00 C ATOM 248 C ARG A 18 -32.882 -31.589 29.400 1.00 0.00 C ATOM 249 O ARG A 18 -32.641 -30.413 29.138 1.00 0.00 O ATOM 250 CB ARG A 18 -33.377 -31.897 26.944 1.00 0.00 C ATOM 251 CG ARG A 18 -31.977 -31.825 26.367 1.00 0.00 C ATOM 252 CD ARG A 18 -32.013 -31.219 24.979 1.00 0.00 C ATOM 253 NE ARG A 18 -30.719 -31.282 24.306 1.00 0.00 N ATOM 254 CZ ARG A 18 -30.477 -30.766 23.099 1.00 0.00 C ATOM 255 NH1 ARG A 18 -31.440 -30.129 22.436 1.00 0.00 N ATOM 256 NH2 ARG A 18 -29.272 -30.881 22.554 1.00 0.00 N ATOM 0 H ARG A 18 -35.381 -31.974 28.980 1.00 0.00 H new ATOM 0 HA ARG A 18 -32.900 -33.450 28.342 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -34.006 -32.470 26.262 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -33.789 -30.889 26.986 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -31.339 -31.226 27.017 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -31.542 -32.823 26.325 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -32.757 -31.741 24.378 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -32.332 -30.179 25.049 1.00 0.00 H new ATOM 0 HE ARG A 18 -29.952 -31.750 24.788 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -32.367 -30.034 22.850 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -31.250 -29.736 21.514 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -28.528 -31.365 23.058 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -29.090 -30.486 21.632 1.00 0.00 H new ATOM 270 N PRO A 19 -32.672 -32.112 30.636 1.00 0.00 N ATOM 271 CA PRO A 19 -32.188 -31.308 31.766 1.00 0.00 C ATOM 272 C PRO A 19 -30.829 -30.667 31.513 1.00 0.00 C ATOM 273 O PRO A 19 -30.624 -29.503 31.832 1.00 0.00 O ATOM 274 CB PRO A 19 -32.100 -32.318 32.924 1.00 0.00 C ATOM 275 CG PRO A 19 -32.058 -33.656 32.268 1.00 0.00 C ATOM 276 CD PRO A 19 -32.867 -33.526 31.014 1.00 0.00 C ATOM 0 HA PRO A 19 -32.853 -30.467 31.962 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -31.210 -32.147 33.529 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -32.959 -32.232 33.589 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -31.032 -33.948 32.042 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -32.472 -34.424 32.921 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -32.516 -34.204 30.236 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -33.918 -33.756 31.187 1.00 0.00 H new ATOM 284 N TYR A 20 -29.915 -31.419 30.936 1.00 0.00 N ATOM 285 CA TYR A 20 -28.585 -30.908 30.671 1.00 0.00 C ATOM 286 C TYR A 20 -28.235 -31.008 29.206 1.00 0.00 C ATOM 287 O TYR A 20 -28.570 -31.983 28.537 1.00 0.00 O ATOM 288 CB TYR A 20 -27.518 -31.620 31.524 1.00 0.00 C ATOM 289 CG TYR A 20 -27.580 -31.275 33.000 1.00 0.00 C ATOM 290 CD1 TYR A 20 -28.424 -31.962 33.859 1.00 0.00 C ATOM 291 CD2 TYR A 20 -26.795 -30.248 33.530 1.00 0.00 C ATOM 292 CE1 TYR A 20 -28.493 -31.646 35.201 1.00 0.00 C ATOM 293 CE2 TYR A 20 -26.858 -29.928 34.875 1.00 0.00 C ATOM 294 CZ TYR A 20 -27.711 -30.628 35.704 1.00 0.00 C ATOM 295 OH TYR A 20 -27.777 -30.312 37.041 1.00 0.00 O ATOM 0 H TYR A 20 -30.067 -32.384 30.642 1.00 0.00 H new ATOM 0 HA TYR A 20 -28.593 -29.855 30.951 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -27.634 -32.698 31.408 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -26.530 -31.362 31.142 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -29.039 -32.760 33.471 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -26.130 -29.697 32.882 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -29.156 -32.194 35.854 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -26.243 -29.135 35.274 1.00 0.00 H new ATOM 0 HH TYR A 20 -27.726 -29.339 37.150 1.00 0.00 H new ATOM 305 N VAL A 21 -27.579 -29.988 28.723 1.00 0.00 N ATOM 306 CA VAL A 21 -27.112 -29.937 27.366 1.00 0.00 C ATOM 307 C VAL A 21 -25.633 -29.627 27.378 1.00 0.00 C ATOM 308 O VAL A 21 -25.114 -29.065 28.339 1.00 0.00 O ATOM 309 CB VAL A 21 -27.874 -28.868 26.531 1.00 0.00 C ATOM 310 CG1 VAL A 21 -27.604 -27.458 27.038 1.00 0.00 C ATOM 311 CG2 VAL A 21 -27.563 -28.980 25.043 1.00 0.00 C ATOM 0 H VAL A 21 -27.351 -29.158 29.270 1.00 0.00 H new ATOM 0 HA VAL A 21 -27.297 -30.903 26.897 1.00 0.00 H new ATOM 0 HB VAL A 21 -28.937 -29.070 26.661 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -28.154 -26.741 26.429 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -27.928 -27.376 28.076 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -26.537 -27.246 26.973 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -28.116 -28.215 24.497 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -26.494 -28.839 24.883 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -27.857 -29.966 24.683 1.00 0.00 H new ATOM 321 N SER A 22 -24.961 -30.005 26.347 1.00 0.00 N ATOM 322 CA SER A 22 -23.538 -29.789 26.257 1.00 0.00 C ATOM 323 C SER A 22 -23.260 -28.617 25.339 1.00 0.00 C ATOM 324 O SER A 22 -23.681 -28.613 24.180 1.00 0.00 O ATOM 325 CB SER A 22 -22.846 -31.047 25.735 1.00 0.00 C ATOM 326 OG SER A 22 -23.133 -32.159 26.566 1.00 0.00 O ATOM 0 H SER A 22 -25.370 -30.472 25.538 1.00 0.00 H new ATOM 0 HA SER A 22 -23.146 -29.566 27.249 1.00 0.00 H new ATOM 0 HB2 SER A 22 -23.176 -31.253 24.717 1.00 0.00 H new ATOM 0 HB3 SER A 22 -21.769 -30.885 25.695 1.00 0.00 H new ATOM 0 HG SER A 22 -22.682 -32.955 26.214 1.00 0.00 H new ATOM 332 N ILE A 23 -22.576 -27.618 25.849 1.00 0.00 N ATOM 333 CA ILE A 23 -22.270 -26.459 25.049 1.00 0.00 C ATOM 334 C ILE A 23 -20.774 -26.290 24.930 1.00 0.00 C ATOM 335 O ILE A 23 -20.019 -26.704 25.819 1.00 0.00 O ATOM 336 CB ILE A 23 -22.856 -25.165 25.643 1.00 0.00 C ATOM 337 CG1 ILE A 23 -22.147 -24.815 26.948 1.00 0.00 C ATOM 338 CG2 ILE A 23 -24.350 -25.322 25.869 1.00 0.00 C ATOM 339 CD1 ILE A 23 -22.300 -23.374 27.339 1.00 0.00 C ATOM 0 H ILE A 23 -22.225 -27.586 26.806 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.721 -26.627 24.071 1.00 0.00 H new ATOM 0 HB ILE A 23 -22.698 -24.349 24.937 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -22.539 -25.445 27.747 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -21.086 -25.047 26.851 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -24.753 -24.401 26.289 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -24.841 -25.533 24.919 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -24.529 -26.145 26.561 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -21.772 -23.193 28.275 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -21.882 -22.739 26.558 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -23.357 -23.142 27.468 1.00 0.00 H new ATOM 351 N LEU A 24 -20.345 -25.692 23.845 1.00 0.00 N ATOM 352 CA LEU A 24 -18.947 -25.442 23.635 1.00 0.00 C ATOM 353 C LEU A 24 -18.637 -23.994 23.957 1.00 0.00 C ATOM 354 O LEU A 24 -19.021 -23.088 23.219 1.00 0.00 O ATOM 355 CB LEU A 24 -18.545 -25.763 22.191 1.00 0.00 C ATOM 356 CG LEU A 24 -18.410 -27.254 21.829 1.00 0.00 C ATOM 357 CD1 LEU A 24 -19.759 -27.959 21.851 1.00 0.00 C ATOM 358 CD2 LEU A 24 -17.751 -27.411 20.471 1.00 0.00 C ATOM 0 H LEU A 24 -20.952 -25.369 23.091 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.372 -26.090 24.296 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -19.282 -25.316 21.524 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -17.592 -25.275 21.986 1.00 0.00 H new ATOM 0 HG LEU A 24 -17.779 -27.723 22.584 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.625 -29.009 21.591 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -20.192 -27.885 22.849 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -20.427 -27.489 21.129 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.663 -28.470 20.230 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -18.357 -26.915 19.713 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -16.759 -26.960 20.494 1.00 0.00 H new ATOM 370 N ALA A 25 -17.973 -23.784 25.070 1.00 0.00 N ATOM 371 CA ALA A 25 -17.610 -22.456 25.514 1.00 0.00 C ATOM 372 C ALA A 25 -16.406 -22.545 26.420 1.00 0.00 C ATOM 373 O ALA A 25 -16.294 -23.479 27.212 1.00 0.00 O ATOM 374 CB ALA A 25 -18.775 -21.813 26.256 1.00 0.00 C ATOM 0 H ALA A 25 -17.668 -24.530 25.695 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.368 -21.840 24.648 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.490 -20.814 26.585 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -19.636 -21.744 25.591 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -19.034 -22.421 27.123 1.00 0.00 H new ATOM 380 N GLU A 26 -15.505 -21.595 26.308 1.00 0.00 N ATOM 381 CA GLU A 26 -14.334 -21.585 27.151 1.00 0.00 C ATOM 382 C GLU A 26 -14.374 -20.390 28.084 1.00 0.00 C ATOM 383 O GLU A 26 -15.238 -19.528 27.953 1.00 0.00 O ATOM 384 CB GLU A 26 -13.043 -21.631 26.331 1.00 0.00 C ATOM 385 CG GLU A 26 -12.871 -22.939 25.557 1.00 0.00 C ATOM 386 CD GLU A 26 -11.545 -23.042 24.825 1.00 0.00 C ATOM 387 OE1 GLU A 26 -10.572 -22.376 25.240 1.00 0.00 O ATOM 388 OE2 GLU A 26 -11.469 -23.806 23.833 1.00 0.00 O ATOM 0 H GLU A 26 -15.561 -20.823 25.644 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.341 -22.490 27.759 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.035 -20.797 25.629 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.191 -21.495 26.997 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.960 -23.776 26.250 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.683 -23.034 24.836 1.00 0.00 H new ATOM 395 N ILE A 27 -13.432 -20.331 29.006 1.00 0.00 N ATOM 396 CA ILE A 27 -13.443 -19.323 30.064 1.00 0.00 C ATOM 397 C ILE A 27 -13.353 -17.884 29.556 1.00 0.00 C ATOM 398 O ILE A 27 -13.893 -16.968 30.179 1.00 0.00 O ATOM 399 CB ILE A 27 -12.358 -19.593 31.123 1.00 0.00 C ATOM 400 CG1 ILE A 27 -12.485 -18.599 32.266 1.00 0.00 C ATOM 401 CG2 ILE A 27 -10.962 -19.534 30.505 1.00 0.00 C ATOM 402 CD1 ILE A 27 -11.822 -19.049 33.525 1.00 0.00 C ATOM 0 H ILE A 27 -12.640 -20.973 29.048 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.422 -19.420 30.532 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.504 -20.599 31.517 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.053 -17.647 31.958 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.542 -18.420 32.465 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.215 -19.728 31.275 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.879 -20.286 29.721 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.795 -18.545 30.078 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.953 -18.290 34.297 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.270 -19.986 33.857 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.758 -19.200 33.342 1.00 0.00 H new ATOM 414 N ASN A 28 -12.699 -17.681 28.437 1.00 0.00 N ATOM 415 CA ASN A 28 -12.551 -16.342 27.891 1.00 0.00 C ATOM 416 C ASN A 28 -13.838 -15.880 27.205 1.00 0.00 C ATOM 417 O ASN A 28 -13.948 -14.723 26.797 1.00 0.00 O ATOM 418 CB ASN A 28 -11.364 -16.264 26.915 1.00 0.00 C ATOM 419 CG ASN A 28 -11.516 -17.166 25.696 1.00 0.00 C ATOM 420 OD1 ASN A 28 -12.138 -18.225 25.758 1.00 0.00 O ATOM 421 ND2 ASN A 28 -10.946 -16.749 24.581 1.00 0.00 N ATOM 0 H ASN A 28 -12.261 -18.418 27.885 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.348 -15.671 28.726 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.246 -15.233 26.581 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.450 -16.534 27.445 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.013 -17.311 23.733 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.438 -15.865 24.568 1.00 0.00 H new ATOM 428 N GLU A 29 -14.802 -16.778 27.085 1.00 0.00 N ATOM 429 CA GLU A 29 -16.076 -16.443 26.482 1.00 0.00 C ATOM 430 C GLU A 29 -17.050 -15.930 27.519 1.00 0.00 C ATOM 431 O GLU A 29 -17.021 -16.346 28.683 1.00 0.00 O ATOM 432 CB GLU A 29 -16.674 -17.633 25.730 1.00 0.00 C ATOM 433 CG GLU A 29 -15.965 -17.944 24.432 1.00 0.00 C ATOM 434 CD GLU A 29 -16.051 -16.789 23.457 1.00 0.00 C ATOM 435 OE1 GLU A 29 -17.180 -16.368 23.118 1.00 0.00 O ATOM 436 OE2 GLU A 29 -14.997 -16.279 23.041 1.00 0.00 O ATOM 0 H GLU A 29 -14.724 -17.745 27.399 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.892 -15.649 25.759 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.641 -18.513 26.373 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.724 -17.430 25.521 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.919 -18.172 24.634 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.404 -18.834 23.982 1.00 0.00 H new ATOM 443 N ASN A 30 -17.904 -15.026 27.097 1.00 0.00 N ATOM 444 CA ASN A 30 -18.890 -14.444 27.977 1.00 0.00 C ATOM 445 C ASN A 30 -20.123 -15.318 28.015 1.00 0.00 C ATOM 446 O ASN A 30 -20.203 -16.341 27.319 1.00 0.00 O ATOM 447 CB ASN A 30 -19.276 -13.038 27.510 1.00 0.00 C ATOM 448 CG ASN A 30 -18.091 -12.100 27.383 1.00 0.00 C ATOM 449 OD1 ASN A 30 -17.119 -12.196 28.129 1.00 0.00 O ATOM 450 ND2 ASN A 30 -18.164 -11.194 26.427 1.00 0.00 N ATOM 0 H ASN A 30 -17.935 -14.675 26.140 1.00 0.00 H new ATOM 0 HA ASN A 30 -18.458 -14.374 28.975 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -19.779 -13.109 26.546 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -19.993 -12.613 28.213 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -17.395 -10.539 26.285 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.989 -11.148 25.829 1.00 0.00 H new ATOM 457 N ALA A 31 -21.095 -14.910 28.801 1.00 0.00 N ATOM 458 CA ALA A 31 -22.327 -15.653 28.941 1.00 0.00 C ATOM 459 C ALA A 31 -23.150 -15.629 27.649 1.00 0.00 C ATOM 460 O ALA A 31 -24.067 -16.422 27.485 1.00 0.00 O ATOM 461 CB ALA A 31 -23.135 -15.111 30.110 1.00 0.00 C ATOM 0 H ALA A 31 -21.054 -14.057 29.359 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.073 -16.694 29.142 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.061 -15.678 30.206 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -22.555 -15.205 31.028 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.369 -14.061 29.935 1.00 0.00 H new ATOM 467 N ASP A 32 -22.820 -14.713 26.733 1.00 0.00 N ATOM 468 CA ASP A 32 -23.521 -14.615 25.457 1.00 0.00 C ATOM 469 C ASP A 32 -23.345 -15.894 24.656 1.00 0.00 C ATOM 470 O ASP A 32 -24.290 -16.385 24.040 1.00 0.00 O ATOM 471 CB ASP A 32 -23.006 -13.412 24.628 1.00 0.00 C ATOM 472 CG ASP A 32 -21.695 -13.702 23.892 1.00 0.00 C ATOM 473 OD1 ASP A 32 -20.629 -13.711 24.541 1.00 0.00 O ATOM 474 OD2 ASP A 32 -21.742 -13.944 22.661 1.00 0.00 O ATOM 0 H ASP A 32 -22.072 -14.031 26.855 1.00 0.00 H new ATOM 0 HA ASP A 32 -24.579 -14.464 25.671 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -23.767 -13.127 23.902 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -22.862 -12.558 25.290 1.00 0.00 H new ATOM 479 N ARG A 33 -22.141 -16.437 24.680 1.00 0.00 N ATOM 480 CA ARG A 33 -21.844 -17.614 23.954 1.00 0.00 C ATOM 481 C ARG A 33 -22.522 -18.793 24.602 1.00 0.00 C ATOM 482 O ARG A 33 -23.112 -19.635 23.932 1.00 0.00 O ATOM 483 CB ARG A 33 -20.343 -17.827 23.904 1.00 0.00 C ATOM 484 CG ARG A 33 -19.912 -18.588 22.689 1.00 0.00 C ATOM 485 CD ARG A 33 -19.702 -17.660 21.490 1.00 0.00 C ATOM 486 NE ARG A 33 -20.713 -16.590 21.414 1.00 0.00 N ATOM 487 CZ ARG A 33 -21.658 -16.489 20.475 1.00 0.00 C ATOM 488 NH1 ARG A 33 -21.799 -17.434 19.552 1.00 0.00 N ATOM 489 NH2 ARG A 33 -22.475 -15.442 20.481 1.00 0.00 N ATOM 0 H ARG A 33 -21.356 -16.059 25.210 1.00 0.00 H new ATOM 0 HA ARG A 33 -22.213 -17.512 22.934 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -19.841 -16.859 23.920 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -20.026 -18.365 24.797 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.987 -19.123 22.903 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -20.664 -19.338 22.443 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.710 -17.213 21.551 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -19.731 -18.247 20.572 1.00 0.00 H new ATOM 0 HE ARG A 33 -20.689 -15.869 22.136 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -21.182 -18.247 19.556 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -22.524 -17.347 18.840 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -22.378 -14.724 21.198 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -23.199 -15.356 19.768 1.00 0.00 H new ATOM 503 N ILE A 34 -22.439 -18.831 25.914 1.00 0.00 N ATOM 504 CA ILE A 34 -23.018 -19.892 26.699 1.00 0.00 C ATOM 505 C ILE A 34 -24.541 -19.930 26.552 1.00 0.00 C ATOM 506 O ILE A 34 -25.120 -20.981 26.262 1.00 0.00 O ATOM 507 CB ILE A 34 -22.647 -19.702 28.183 1.00 0.00 C ATOM 508 CG1 ILE A 34 -21.130 -19.870 28.366 1.00 0.00 C ATOM 509 CG2 ILE A 34 -23.416 -20.676 29.062 1.00 0.00 C ATOM 510 CD1 ILE A 34 -20.627 -19.457 29.729 1.00 0.00 C ATOM 0 H ILE A 34 -21.963 -18.119 26.468 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.618 -20.838 26.334 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.925 -18.694 28.490 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.867 -20.914 28.194 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.615 -19.282 27.606 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -23.138 -20.523 30.105 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -24.486 -20.506 28.944 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -23.176 -21.698 28.769 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -19.548 -19.605 29.779 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.857 -18.405 29.898 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.112 -20.062 30.495 1.00 0.00 H new ATOM 522 N LEU A 35 -25.177 -18.778 26.726 1.00 0.00 N ATOM 523 CA LEU A 35 -26.627 -18.687 26.623 1.00 0.00 C ATOM 524 C LEU A 35 -27.089 -18.968 25.212 1.00 0.00 C ATOM 525 O LEU A 35 -28.026 -19.729 24.999 1.00 0.00 O ATOM 526 CB LEU A 35 -27.124 -17.307 27.065 1.00 0.00 C ATOM 527 CG LEU A 35 -28.641 -17.075 26.955 1.00 0.00 C ATOM 528 CD1 LEU A 35 -29.414 -18.053 27.835 1.00 0.00 C ATOM 529 CD2 LEU A 35 -28.989 -15.642 27.319 1.00 0.00 C ATOM 0 H LEU A 35 -24.712 -17.895 26.939 1.00 0.00 H new ATOM 0 HA LEU A 35 -27.049 -19.441 27.287 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -26.826 -17.149 28.101 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -26.615 -16.550 26.468 1.00 0.00 H new ATOM 0 HG LEU A 35 -28.933 -17.252 25.920 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.483 -17.865 27.736 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.195 -19.074 27.523 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -29.117 -17.920 28.875 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -30.066 -15.497 27.235 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -28.674 -15.440 28.343 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -28.477 -14.960 26.640 1.00 0.00 H new ATOM 541 N GLY A 36 -26.404 -18.372 24.252 1.00 0.00 N ATOM 542 CA GLY A 36 -26.786 -18.530 22.873 1.00 0.00 C ATOM 543 C GLY A 36 -26.650 -19.956 22.389 1.00 0.00 C ATOM 544 O GLY A 36 -27.536 -20.462 21.716 1.00 0.00 O ATOM 0 H GLY A 36 -25.588 -17.780 24.407 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -27.819 -18.205 22.747 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -26.169 -17.880 22.253 1.00 0.00 H new ATOM 548 N ALA A 37 -25.553 -20.611 22.748 1.00 0.00 N ATOM 549 CA ALA A 37 -25.323 -21.991 22.334 1.00 0.00 C ATOM 550 C ALA A 37 -26.361 -22.928 22.932 1.00 0.00 C ATOM 551 O ALA A 37 -26.955 -23.735 22.225 1.00 0.00 O ATOM 552 CB ALA A 37 -23.925 -22.445 22.731 1.00 0.00 C ATOM 0 H ALA A 37 -24.811 -20.212 23.323 1.00 0.00 H new ATOM 0 HA ALA A 37 -25.413 -22.028 21.248 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -23.774 -23.477 22.413 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -23.185 -21.805 22.251 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -23.815 -22.379 23.813 1.00 0.00 H new ATOM 558 N ALA A 38 -26.580 -22.805 24.234 1.00 0.00 N ATOM 559 CA ALA A 38 -27.532 -23.657 24.935 1.00 0.00 C ATOM 560 C ALA A 38 -28.944 -23.436 24.430 1.00 0.00 C ATOM 561 O ALA A 38 -29.655 -24.383 24.098 1.00 0.00 O ATOM 562 CB ALA A 38 -27.467 -23.394 26.425 1.00 0.00 C ATOM 0 H ALA A 38 -26.110 -22.122 24.828 1.00 0.00 H new ATOM 0 HA ALA A 38 -27.262 -24.695 24.740 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -28.182 -24.036 26.939 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -26.462 -23.607 26.789 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -27.710 -22.350 26.621 1.00 0.00 H new ATOM 568 N LEU A 39 -29.326 -22.174 24.335 1.00 0.00 N ATOM 569 CA LEU A 39 -30.658 -21.792 23.905 1.00 0.00 C ATOM 570 C LEU A 39 -30.889 -22.247 22.468 1.00 0.00 C ATOM 571 O LEU A 39 -32.003 -22.625 22.088 1.00 0.00 O ATOM 572 CB LEU A 39 -30.821 -20.284 24.034 1.00 0.00 C ATOM 573 CG LEU A 39 -32.223 -19.751 23.858 1.00 0.00 C ATOM 574 CD1 LEU A 39 -33.129 -20.296 24.950 1.00 0.00 C ATOM 575 CD2 LEU A 39 -32.212 -18.248 23.897 1.00 0.00 C ATOM 0 H LEU A 39 -28.719 -21.384 24.555 1.00 0.00 H new ATOM 0 HA LEU A 39 -31.402 -22.276 24.538 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -30.460 -19.983 25.017 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -30.176 -19.805 23.297 1.00 0.00 H new ATOM 0 HG LEU A 39 -32.605 -20.075 22.890 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -34.138 -19.906 24.814 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -33.151 -21.384 24.895 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -32.749 -19.989 25.925 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -33.228 -17.873 23.769 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -31.819 -17.912 24.857 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -31.581 -17.868 23.093 1.00 0.00 H new ATOM 587 N GLU A 40 -29.820 -22.204 21.681 1.00 0.00 N ATOM 588 CA GLU A 40 -29.842 -22.647 20.296 1.00 0.00 C ATOM 589 C GLU A 40 -30.228 -24.115 20.214 1.00 0.00 C ATOM 590 O GLU A 40 -31.051 -24.507 19.386 1.00 0.00 O ATOM 591 CB GLU A 40 -28.455 -22.470 19.683 1.00 0.00 C ATOM 592 CG GLU A 40 -28.365 -22.845 18.222 1.00 0.00 C ATOM 593 CD GLU A 40 -26.951 -22.772 17.705 1.00 0.00 C ATOM 594 OE1 GLU A 40 -26.209 -23.776 17.847 1.00 0.00 O ATOM 595 OE2 GLU A 40 -26.571 -21.718 17.152 1.00 0.00 O ATOM 0 H GLU A 40 -28.911 -21.859 21.989 1.00 0.00 H new ATOM 0 HA GLU A 40 -30.575 -22.051 19.752 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -28.151 -21.430 19.798 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -27.743 -23.074 20.245 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -28.750 -23.855 18.083 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -28.999 -22.179 17.637 1.00 0.00 H new ATOM 602 N LYS A 41 -29.637 -24.918 21.088 1.00 0.00 N ATOM 603 CA LYS A 41 -29.877 -26.349 21.093 1.00 0.00 C ATOM 604 C LYS A 41 -31.332 -26.646 21.433 1.00 0.00 C ATOM 605 O LYS A 41 -31.934 -27.570 20.882 1.00 0.00 O ATOM 606 CB LYS A 41 -28.933 -27.070 22.067 1.00 0.00 C ATOM 607 CG LYS A 41 -27.461 -26.694 21.889 1.00 0.00 C ATOM 608 CD LYS A 41 -27.035 -26.718 20.426 1.00 0.00 C ATOM 609 CE LYS A 41 -25.583 -26.283 20.268 1.00 0.00 C ATOM 610 NZ LYS A 41 -25.197 -26.135 18.842 1.00 0.00 N ATOM 0 H LYS A 41 -28.985 -24.598 21.805 1.00 0.00 H new ATOM 0 HA LYS A 41 -29.672 -26.727 20.091 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -29.236 -26.842 23.089 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -29.042 -28.146 21.935 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -27.289 -25.699 22.300 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -26.840 -27.385 22.458 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -27.162 -27.723 20.024 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -27.680 -26.058 19.846 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -25.430 -25.335 20.785 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.932 -27.015 20.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -24.171 -26.277 18.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.701 -26.843 18.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -25.448 -25.181 18.512 1.00 0.00 H new ATOM 624 N TYR A 42 -31.898 -25.856 22.346 1.00 0.00 N ATOM 625 CA TYR A 42 -33.295 -26.023 22.737 1.00 0.00 C ATOM 626 C TYR A 42 -34.251 -25.418 21.694 1.00 0.00 C ATOM 627 O TYR A 42 -35.468 -25.564 21.803 1.00 0.00 O ATOM 628 CB TYR A 42 -33.566 -25.426 24.126 1.00 0.00 C ATOM 629 CG TYR A 42 -32.843 -26.133 25.261 1.00 0.00 C ATOM 630 CD1 TYR A 42 -33.324 -27.328 25.769 1.00 0.00 C ATOM 631 CD2 TYR A 42 -31.689 -25.607 25.818 1.00 0.00 C ATOM 632 CE1 TYR A 42 -32.681 -27.979 26.800 1.00 0.00 C ATOM 633 CE2 TYR A 42 -31.037 -26.252 26.853 1.00 0.00 C ATOM 634 CZ TYR A 42 -31.539 -27.440 27.339 1.00 0.00 C ATOM 635 OH TYR A 42 -30.901 -28.088 28.372 1.00 0.00 O ATOM 0 H TYR A 42 -31.412 -25.098 22.826 1.00 0.00 H new ATOM 0 HA TYR A 42 -33.485 -27.095 22.786 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -33.272 -24.376 24.121 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -34.638 -25.456 24.319 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -34.221 -27.759 25.349 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -31.292 -24.678 25.438 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -33.074 -28.909 27.182 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -30.140 -25.827 27.278 1.00 0.00 H new ATOM 0 HH TYR A 42 -31.445 -28.848 28.667 1.00 0.00 H new ATOM 645 N GLY A 43 -33.696 -24.744 20.693 1.00 0.00 N ATOM 646 CA GLY A 43 -34.511 -24.195 19.615 1.00 0.00 C ATOM 647 C GLY A 43 -35.186 -22.874 19.954 1.00 0.00 C ATOM 648 O GLY A 43 -36.218 -22.538 19.377 1.00 0.00 O ATOM 0 H GLY A 43 -32.696 -24.566 20.605 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -33.883 -24.054 18.735 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -35.277 -24.923 19.347 1.00 0.00 H new ATOM 652 N LEU A 44 -34.621 -22.127 20.885 1.00 0.00 N ATOM 653 CA LEU A 44 -35.198 -20.848 21.277 1.00 0.00 C ATOM 654 C LEU A 44 -34.206 -19.709 21.034 1.00 0.00 C ATOM 655 O LEU A 44 -34.322 -18.631 21.623 1.00 0.00 O ATOM 656 CB LEU A 44 -35.606 -20.890 22.747 1.00 0.00 C ATOM 657 CG LEU A 44 -36.655 -21.941 23.120 1.00 0.00 C ATOM 658 CD1 LEU A 44 -36.888 -21.952 24.618 1.00 0.00 C ATOM 659 CD2 LEU A 44 -37.955 -21.679 22.385 1.00 0.00 C ATOM 0 H LEU A 44 -33.768 -22.379 21.383 1.00 0.00 H new ATOM 0 HA LEU A 44 -36.083 -20.665 20.667 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -34.713 -21.067 23.347 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -35.988 -19.908 23.026 1.00 0.00 H new ATOM 0 HG LEU A 44 -36.280 -22.920 22.822 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -37.637 -22.705 24.864 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -35.955 -22.187 25.130 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -37.241 -20.972 24.939 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -38.689 -22.436 22.662 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -38.332 -20.692 22.653 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -37.780 -21.720 21.310 1.00 0.00 H new ATOM 671 N GLU A 45 -33.261 -19.946 20.129 1.00 0.00 N ATOM 672 CA GLU A 45 -32.173 -19.001 19.833 1.00 0.00 C ATOM 673 C GLU A 45 -32.711 -17.651 19.340 1.00 0.00 C ATOM 674 O GLU A 45 -32.118 -16.602 19.599 1.00 0.00 O ATOM 675 CB GLU A 45 -31.257 -19.612 18.759 1.00 0.00 C ATOM 676 CG GLU A 45 -29.767 -19.285 18.895 1.00 0.00 C ATOM 677 CD GLU A 45 -29.404 -17.867 18.501 1.00 0.00 C ATOM 678 OE1 GLU A 45 -29.948 -17.365 17.503 1.00 0.00 O ATOM 679 OE2 GLU A 45 -28.538 -17.263 19.168 1.00 0.00 O ATOM 0 H GLU A 45 -33.222 -20.801 19.574 1.00 0.00 H new ATOM 0 HA GLU A 45 -31.617 -18.821 20.753 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -31.376 -20.695 18.779 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.597 -19.272 17.781 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -29.463 -19.452 19.928 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -29.196 -19.979 18.278 1.00 0.00 H new ATOM 686 N HIS A 46 -33.847 -17.679 18.655 1.00 0.00 N ATOM 687 CA HIS A 46 -34.409 -16.468 18.052 1.00 0.00 C ATOM 688 C HIS A 46 -35.113 -15.591 19.082 1.00 0.00 C ATOM 689 O HIS A 46 -35.421 -14.429 18.809 1.00 0.00 O ATOM 690 CB HIS A 46 -35.366 -16.825 16.908 1.00 0.00 C ATOM 691 CG HIS A 46 -34.702 -17.563 15.787 1.00 0.00 C ATOM 692 ND1 HIS A 46 -34.057 -16.933 14.739 1.00 0.00 N ATOM 693 CD2 HIS A 46 -34.574 -18.890 15.556 1.00 0.00 C ATOM 694 CE1 HIS A 46 -33.560 -17.843 13.919 1.00 0.00 C ATOM 695 NE2 HIS A 46 -33.858 -19.034 14.394 1.00 0.00 N ATOM 0 H HIS A 46 -34.399 -18.523 18.501 1.00 0.00 H new ATOM 0 HA HIS A 46 -33.576 -15.893 17.647 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -36.180 -17.433 17.302 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -35.811 -15.910 16.518 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -34.963 -19.688 16.172 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -33.005 -17.644 13.014 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -33.598 -19.923 13.966 1.00 0.00 H new ATOM 703 N SER A 47 -35.378 -16.146 20.251 1.00 0.00 N ATOM 704 CA SER A 47 -36.000 -15.392 21.323 1.00 0.00 C ATOM 705 C SER A 47 -34.923 -14.740 22.201 1.00 0.00 C ATOM 706 O SER A 47 -34.585 -13.577 22.006 1.00 0.00 O ATOM 707 CB SER A 47 -36.909 -16.306 22.151 1.00 0.00 C ATOM 708 OG SER A 47 -37.875 -16.942 21.324 1.00 0.00 O ATOM 0 H SER A 47 -35.172 -17.118 20.482 1.00 0.00 H new ATOM 0 HA SER A 47 -36.615 -14.600 20.895 1.00 0.00 H new ATOM 0 HB2 SER A 47 -36.308 -17.059 22.661 1.00 0.00 H new ATOM 0 HB3 SER A 47 -37.412 -15.723 22.923 1.00 0.00 H new ATOM 0 HG SER A 47 -38.444 -17.522 21.872 1.00 0.00 H new ATOM 714 N LYS A 48 -34.381 -15.519 23.149 1.00 0.00 N ATOM 715 CA LYS A 48 -33.272 -15.103 24.048 1.00 0.00 C ATOM 716 C LYS A 48 -33.610 -13.953 25.006 1.00 0.00 C ATOM 717 O LYS A 48 -33.175 -13.962 26.154 1.00 0.00 O ATOM 718 CB LYS A 48 -32.030 -14.748 23.255 1.00 0.00 C ATOM 719 CG LYS A 48 -30.741 -15.133 23.968 1.00 0.00 C ATOM 720 CD LYS A 48 -29.529 -14.887 23.101 1.00 0.00 C ATOM 721 CE LYS A 48 -29.566 -15.717 21.831 1.00 0.00 C ATOM 722 NZ LYS A 48 -28.616 -15.210 20.824 1.00 0.00 N ATOM 0 H LYS A 48 -34.700 -16.472 23.323 1.00 0.00 H new ATOM 0 HA LYS A 48 -33.090 -15.977 24.673 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -32.067 -15.249 22.288 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -32.024 -13.676 23.059 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -30.651 -14.560 24.891 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -30.780 -16.186 24.248 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -29.476 -13.829 22.842 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -28.626 -15.123 23.663 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -29.328 -16.754 22.066 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -30.575 -15.707 21.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -28.347 -15.982 20.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -29.063 -14.445 20.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -27.767 -14.845 21.301 1.00 0.00 H new ATOM 736 N ASP A 49 -34.379 -12.984 24.552 1.00 0.00 N ATOM 737 CA ASP A 49 -34.708 -11.811 25.371 1.00 0.00 C ATOM 738 C ASP A 49 -35.652 -12.179 26.509 1.00 0.00 C ATOM 739 O ASP A 49 -36.014 -11.339 27.329 1.00 0.00 O ATOM 740 CB ASP A 49 -35.317 -10.692 24.513 1.00 0.00 C ATOM 741 CG ASP A 49 -36.748 -10.969 24.092 1.00 0.00 C ATOM 742 OD1 ASP A 49 -36.961 -11.818 23.198 1.00 0.00 O ATOM 743 OD2 ASP A 49 -37.664 -10.329 24.645 1.00 0.00 O ATOM 0 H ASP A 49 -34.794 -12.976 23.620 1.00 0.00 H new ATOM 0 HA ASP A 49 -33.778 -11.444 25.805 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -35.285 -9.757 25.072 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -34.704 -10.552 23.622 1.00 0.00 H new ATOM 748 N ASP A 50 -36.050 -13.432 26.548 1.00 0.00 N ATOM 749 CA ASP A 50 -36.913 -13.933 27.597 1.00 0.00 C ATOM 750 C ASP A 50 -36.105 -14.726 28.640 1.00 0.00 C ATOM 751 O ASP A 50 -36.610 -15.045 29.714 1.00 0.00 O ATOM 752 CB ASP A 50 -37.999 -14.831 26.982 1.00 0.00 C ATOM 753 CG ASP A 50 -39.029 -15.319 27.992 1.00 0.00 C ATOM 754 OD1 ASP A 50 -39.933 -14.534 28.359 1.00 0.00 O ATOM 755 OD2 ASP A 50 -38.961 -16.491 28.400 1.00 0.00 O ATOM 0 H ASP A 50 -35.785 -14.132 25.855 1.00 0.00 H new ATOM 0 HA ASP A 50 -37.379 -13.086 28.100 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -38.510 -14.281 26.192 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -37.524 -15.693 26.514 1.00 0.00 H new ATOM 760 N PHE A 51 -34.830 -15.006 28.340 1.00 0.00 N ATOM 761 CA PHE A 51 -34.033 -15.867 29.219 1.00 0.00 C ATOM 762 C PHE A 51 -32.660 -15.264 29.549 1.00 0.00 C ATOM 763 O PHE A 51 -32.118 -14.454 28.791 1.00 0.00 O ATOM 764 CB PHE A 51 -33.810 -17.218 28.550 1.00 0.00 C ATOM 765 CG PHE A 51 -35.059 -17.873 28.028 1.00 0.00 C ATOM 766 CD1 PHE A 51 -35.900 -18.578 28.870 1.00 0.00 C ATOM 767 CD2 PHE A 51 -35.385 -17.785 26.683 1.00 0.00 C ATOM 768 CE1 PHE A 51 -37.047 -19.180 28.379 1.00 0.00 C ATOM 769 CE2 PHE A 51 -36.526 -18.381 26.188 1.00 0.00 C ATOM 770 CZ PHE A 51 -37.358 -19.080 27.036 1.00 0.00 C ATOM 0 H PHE A 51 -34.339 -14.658 27.516 1.00 0.00 H new ATOM 0 HA PHE A 51 -34.593 -15.972 30.148 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -33.111 -17.088 27.724 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -33.336 -17.889 29.266 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -35.660 -18.660 29.920 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -34.735 -17.241 26.013 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -37.698 -19.727 29.045 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -36.767 -18.300 25.138 1.00 0.00 H new ATOM 0 HZ PHE A 51 -38.252 -19.549 26.652 1.00 0.00 H new ATOM 780 N ILE A 52 -32.120 -15.668 30.696 1.00 0.00 N ATOM 781 CA ILE A 52 -30.768 -15.297 31.132 1.00 0.00 C ATOM 782 C ILE A 52 -30.119 -16.510 31.809 1.00 0.00 C ATOM 783 O ILE A 52 -30.748 -17.569 31.915 1.00 0.00 O ATOM 784 CB ILE A 52 -30.755 -14.093 32.123 1.00 0.00 C ATOM 785 CG1 ILE A 52 -31.558 -14.429 33.380 1.00 0.00 C ATOM 786 CG2 ILE A 52 -31.283 -12.833 31.451 1.00 0.00 C ATOM 787 CD1 ILE A 52 -31.452 -13.384 34.464 1.00 0.00 C ATOM 0 H ILE A 52 -32.610 -16.269 31.359 1.00 0.00 H new ATOM 0 HA ILE A 52 -30.213 -14.988 30.246 1.00 0.00 H new ATOM 0 HB ILE A 52 -29.724 -13.901 32.421 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -32.606 -14.553 33.109 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -31.215 -15.386 33.775 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -31.264 -12.007 32.162 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -30.656 -12.588 30.593 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -32.307 -13.001 31.116 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -32.047 -13.690 35.324 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -30.410 -13.275 34.764 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -31.822 -12.430 34.088 1.00 0.00 H new ATOM 799 N LEU A 53 -28.890 -16.367 32.274 1.00 0.00 N ATOM 800 CA LEU A 53 -28.210 -17.472 32.923 1.00 0.00 C ATOM 801 C LEU A 53 -28.204 -17.286 34.424 1.00 0.00 C ATOM 802 O LEU A 53 -28.220 -16.169 34.911 1.00 0.00 O ATOM 803 CB LEU A 53 -26.782 -17.608 32.413 1.00 0.00 C ATOM 804 CG LEU A 53 -26.627 -17.874 30.920 1.00 0.00 C ATOM 805 CD1 LEU A 53 -25.161 -17.952 30.558 1.00 0.00 C ATOM 806 CD2 LEU A 53 -27.331 -19.167 30.539 1.00 0.00 C ATOM 0 H LEU A 53 -28.348 -15.505 32.215 1.00 0.00 H new ATOM 0 HA LEU A 53 -28.754 -18.385 32.682 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -26.242 -16.693 32.657 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -26.298 -18.419 32.958 1.00 0.00 H new ATOM 0 HG LEU A 53 -27.084 -17.053 30.368 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -25.060 -18.142 29.490 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -24.674 -17.009 30.806 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -24.691 -18.761 31.117 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.212 -19.345 29.470 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -26.895 -19.996 31.095 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -28.392 -19.088 30.778 1.00 0.00 H new ATOM 818 N VAL A 54 -28.230 -18.381 35.145 1.00 0.00 N ATOM 819 CA VAL A 54 -28.200 -18.351 36.599 1.00 0.00 C ATOM 820 C VAL A 54 -27.263 -19.425 37.139 1.00 0.00 C ATOM 821 O VAL A 54 -27.006 -20.428 36.472 1.00 0.00 O ATOM 822 CB VAL A 54 -29.612 -18.568 37.197 1.00 0.00 C ATOM 823 CG1 VAL A 54 -30.516 -17.378 36.919 1.00 0.00 C ATOM 824 CG2 VAL A 54 -30.223 -19.836 36.637 1.00 0.00 C ATOM 0 H VAL A 54 -28.272 -19.319 34.747 1.00 0.00 H new ATOM 0 HA VAL A 54 -27.838 -17.366 36.894 1.00 0.00 H new ATOM 0 HB VAL A 54 -29.513 -18.667 38.278 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -31.500 -17.560 37.351 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -30.084 -16.481 37.364 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -30.613 -17.238 35.842 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -31.216 -19.980 37.063 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -30.302 -19.754 35.553 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -29.592 -20.687 36.891 1.00 0.00 H new ATOM 834 N GLU A 55 -26.752 -19.209 38.337 1.00 0.00 N ATOM 835 CA GLU A 55 -25.890 -20.200 38.987 1.00 0.00 C ATOM 836 C GLU A 55 -26.639 -21.030 40.009 1.00 0.00 C ATOM 837 O GLU A 55 -27.226 -20.498 40.951 1.00 0.00 O ATOM 838 CB GLU A 55 -24.678 -19.559 39.648 1.00 0.00 C ATOM 839 CG GLU A 55 -23.572 -19.185 38.693 1.00 0.00 C ATOM 840 CD GLU A 55 -22.418 -18.513 39.411 1.00 0.00 C ATOM 841 OE1 GLU A 55 -22.665 -17.507 40.125 1.00 0.00 O ATOM 842 OE2 GLU A 55 -21.277 -18.998 39.297 1.00 0.00 O ATOM 0 H GLU A 55 -26.913 -18.363 38.884 1.00 0.00 H new ATOM 0 HA GLU A 55 -25.547 -20.859 38.189 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -25.000 -18.664 40.180 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -24.280 -20.247 40.394 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.213 -20.079 38.183 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -23.963 -18.516 37.926 1.00 0.00 H new ATOM 849 N VAL A 56 -26.598 -22.333 39.826 1.00 0.00 N ATOM 850 CA VAL A 56 -27.234 -23.259 40.741 1.00 0.00 C ATOM 851 C VAL A 56 -26.172 -24.062 41.451 1.00 0.00 C ATOM 852 O VAL A 56 -25.328 -24.682 40.812 1.00 0.00 O ATOM 853 CB VAL A 56 -28.148 -24.244 39.999 1.00 0.00 C ATOM 854 CG1 VAL A 56 -28.938 -25.101 40.978 1.00 0.00 C ATOM 855 CG2 VAL A 56 -29.064 -23.516 39.052 1.00 0.00 C ATOM 0 H VAL A 56 -26.124 -22.780 39.041 1.00 0.00 H new ATOM 0 HA VAL A 56 -27.830 -22.676 41.443 1.00 0.00 H new ATOM 0 HB VAL A 56 -27.518 -24.910 39.410 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -29.577 -25.790 40.425 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -28.249 -25.668 41.603 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -29.555 -24.460 41.607 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -29.702 -24.235 38.538 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -29.684 -22.816 39.612 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -28.470 -22.969 38.320 1.00 0.00 H new ATOM 1112 N GLY A 73 -31.039 -19.295 41.797 1.00 0.00 N ATOM 1113 CA GLY A 73 -29.696 -18.782 41.619 1.00 0.00 C ATOM 1114 C GLY A 73 -29.658 -17.279 41.487 1.00 0.00 C ATOM 1115 O GLY A 73 -30.612 -16.592 41.859 1.00 0.00 O ATOM 0 HA2 GLY A 73 -29.081 -19.084 42.467 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -29.255 -19.232 40.730 1.00 0.00 H new ATOM 1119 N ARG A 74 -28.554 -16.764 40.968 1.00 0.00 N ATOM 1120 CA ARG A 74 -28.394 -15.343 40.767 1.00 0.00 C ATOM 1121 C ARG A 74 -28.388 -15.022 39.275 1.00 0.00 C ATOM 1122 O ARG A 74 -27.805 -15.762 38.480 1.00 0.00 O ATOM 1123 CB ARG A 74 -27.106 -14.856 41.439 1.00 0.00 C ATOM 1124 CG ARG A 74 -25.844 -15.591 41.011 1.00 0.00 C ATOM 1125 CD ARG A 74 -24.677 -15.236 41.920 1.00 0.00 C ATOM 1126 NE ARG A 74 -24.943 -15.624 43.308 1.00 0.00 N ATOM 1127 CZ ARG A 74 -24.597 -14.913 44.385 1.00 0.00 C ATOM 1128 NH1 ARG A 74 -23.948 -13.762 44.254 1.00 0.00 N ATOM 1129 NH2 ARG A 74 -24.900 -15.366 45.597 1.00 0.00 N ATOM 0 H ARG A 74 -27.751 -17.321 40.677 1.00 0.00 H new ATOM 0 HA ARG A 74 -29.234 -14.821 41.225 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -26.981 -13.794 41.226 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -27.217 -14.953 42.519 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -26.018 -16.667 41.038 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -25.600 -15.333 39.981 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -23.774 -15.735 41.568 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -24.488 -14.164 41.870 1.00 0.00 H new ATOM 0 HE ARG A 74 -25.431 -16.506 43.464 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -23.710 -13.414 43.325 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.688 -13.226 45.082 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -25.394 -16.252 45.701 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -24.638 -14.828 46.423 1.00 0.00 H new ATOM 1143 N PRO A 75 -29.054 -13.929 38.878 1.00 0.00 N ATOM 1144 CA PRO A 75 -29.164 -13.540 37.468 1.00 0.00 C ATOM 1145 C PRO A 75 -27.830 -13.082 36.859 1.00 0.00 C ATOM 1146 O PRO A 75 -27.210 -12.126 37.325 1.00 0.00 O ATOM 1147 CB PRO A 75 -30.172 -12.383 37.496 1.00 0.00 C ATOM 1148 CG PRO A 75 -30.075 -11.827 38.875 1.00 0.00 C ATOM 1149 CD PRO A 75 -29.764 -12.992 39.770 1.00 0.00 C ATOM 0 HA PRO A 75 -29.470 -14.380 36.845 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -29.929 -11.629 36.747 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -31.182 -12.733 37.281 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -29.294 -11.069 38.936 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -31.009 -11.347 39.169 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -29.144 -12.695 40.616 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -30.671 -13.437 40.180 1.00 0.00 H new ATOM 1157 N ILE A 76 -27.410 -13.785 35.821 1.00 0.00 N ATOM 1158 CA ILE A 76 -26.179 -13.497 35.110 1.00 0.00 C ATOM 1159 C ILE A 76 -26.472 -13.203 33.635 1.00 0.00 C ATOM 1160 O ILE A 76 -26.781 -14.115 32.858 1.00 0.00 O ATOM 1161 CB ILE A 76 -25.221 -14.701 35.195 1.00 0.00 C ATOM 1162 CG1 ILE A 76 -25.010 -15.093 36.651 1.00 0.00 C ATOM 1163 CG2 ILE A 76 -23.888 -14.373 34.531 1.00 0.00 C ATOM 1164 CD1 ILE A 76 -24.487 -16.485 36.832 1.00 0.00 C ATOM 0 H ILE A 76 -27.922 -14.582 35.444 1.00 0.00 H new ATOM 0 HA ILE A 76 -25.716 -12.625 35.572 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.666 -15.543 34.665 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -24.314 -14.391 37.110 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -25.956 -14.998 37.184 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -23.225 -15.235 34.601 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -24.055 -14.128 33.482 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -23.430 -13.521 35.035 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -24.362 -16.692 37.895 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -25.193 -17.197 36.404 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -23.525 -16.581 36.329 1.00 0.00 H new ATOM 1176 N PRO A 77 -26.427 -11.928 33.243 1.00 0.00 N ATOM 1177 CA PRO A 77 -26.648 -11.508 31.852 1.00 0.00 C ATOM 1178 C PRO A 77 -25.558 -12.021 30.892 1.00 0.00 C ATOM 1179 O PRO A 77 -24.434 -12.310 31.306 1.00 0.00 O ATOM 1180 CB PRO A 77 -26.613 -9.975 31.939 1.00 0.00 C ATOM 1181 CG PRO A 77 -26.884 -9.685 33.370 1.00 0.00 C ATOM 1182 CD PRO A 77 -26.205 -10.779 34.122 1.00 0.00 C ATOM 0 HA PRO A 77 -27.579 -11.909 31.451 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -25.645 -9.581 31.629 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -27.364 -9.522 31.292 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -26.493 -8.708 33.655 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -27.955 -9.672 33.574 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -25.144 -10.576 34.270 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -26.642 -10.929 35.109 1.00 0.00 H new ATOM 1190 N PRO A 78 -25.897 -12.127 29.587 1.00 0.00 N ATOM 1191 CA PRO A 78 -24.978 -12.623 28.542 1.00 0.00 C ATOM 1192 C PRO A 78 -23.673 -11.831 28.454 1.00 0.00 C ATOM 1193 O PRO A 78 -22.627 -12.372 28.103 1.00 0.00 O ATOM 1194 CB PRO A 78 -25.760 -12.433 27.248 1.00 0.00 C ATOM 1195 CG PRO A 78 -27.189 -12.362 27.652 1.00 0.00 C ATOM 1196 CD PRO A 78 -27.223 -11.796 29.041 1.00 0.00 C ATOM 0 HA PRO A 78 -24.682 -13.651 28.751 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -25.452 -11.522 26.734 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -25.588 -13.261 26.560 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -27.754 -11.732 26.965 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -27.647 -13.351 27.627 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -27.394 -10.720 29.030 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -28.022 -12.240 29.634 1.00 0.00 H new ATOM 1204 N THR A 79 -23.733 -10.566 28.777 1.00 0.00 N ATOM 1205 CA THR A 79 -22.572 -9.701 28.667 1.00 0.00 C ATOM 1206 C THR A 79 -21.605 -9.836 29.852 1.00 0.00 C ATOM 1207 O THR A 79 -20.602 -9.124 29.927 1.00 0.00 O ATOM 1208 CB THR A 79 -23.000 -8.238 28.488 1.00 0.00 C ATOM 1209 OG1 THR A 79 -24.148 -7.965 29.311 1.00 0.00 O ATOM 1210 CG2 THR A 79 -23.333 -7.946 27.034 1.00 0.00 C ATOM 0 H THR A 79 -24.575 -10.103 29.121 1.00 0.00 H new ATOM 0 HA THR A 79 -22.028 -10.028 27.781 1.00 0.00 H new ATOM 0 HB THR A 79 -22.171 -7.597 28.789 1.00 0.00 H new ATOM 0 HG1 THR A 79 -24.418 -7.030 29.196 1.00 0.00 H new ATOM 0 HG21 THR A 79 -23.634 -6.903 26.932 1.00 0.00 H new ATOM 0 HG22 THR A 79 -22.455 -8.133 26.415 1.00 0.00 H new ATOM 0 HG23 THR A 79 -24.149 -8.592 26.711 1.00 0.00 H new ATOM 1218 N GLU A 80 -21.905 -10.748 30.763 1.00 0.00 N ATOM 1219 CA GLU A 80 -21.046 -10.992 31.913 1.00 0.00 C ATOM 1220 C GLU A 80 -20.126 -12.201 31.649 1.00 0.00 C ATOM 1221 O GLU A 80 -20.440 -13.054 30.816 1.00 0.00 O ATOM 1222 CB GLU A 80 -21.905 -11.228 33.166 1.00 0.00 C ATOM 1223 CG GLU A 80 -21.102 -11.430 34.438 1.00 0.00 C ATOM 1224 CD GLU A 80 -20.200 -10.256 34.728 1.00 0.00 C ATOM 1225 OE1 GLU A 80 -20.677 -9.266 35.308 1.00 0.00 O ATOM 1226 OE2 GLU A 80 -19.008 -10.312 34.359 1.00 0.00 O ATOM 0 H GLU A 80 -22.739 -11.334 30.729 1.00 0.00 H new ATOM 0 HA GLU A 80 -20.418 -10.117 32.079 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.572 -10.377 33.302 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -22.534 -12.103 33.003 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -21.782 -11.581 35.276 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -20.502 -12.335 34.348 1.00 0.00 H new ATOM 1233 N CYS A 81 -18.993 -12.260 32.353 1.00 0.00 N ATOM 1234 CA CYS A 81 -18.039 -13.367 32.207 1.00 0.00 C ATOM 1235 C CYS A 81 -17.978 -14.173 33.522 1.00 0.00 C ATOM 1236 O CYS A 81 -17.071 -13.976 34.341 1.00 0.00 O ATOM 1237 CB CYS A 81 -16.640 -12.827 31.887 1.00 0.00 C ATOM 1238 SG CYS A 81 -16.637 -11.319 30.893 1.00 0.00 S ATOM 0 H CYS A 81 -18.712 -11.553 33.032 1.00 0.00 H new ATOM 0 HA CYS A 81 -18.371 -14.009 31.391 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.115 -12.633 32.822 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.077 -13.597 31.360 1.00 0.00 H new ATOM 0 HG CYS A 81 -16.716 -11.630 29.633 1.00 0.00 H new ATOM 1244 N PRO A 82 -18.950 -15.074 33.750 1.00 0.00 N ATOM 1245 CA PRO A 82 -19.055 -15.820 35.011 1.00 0.00 C ATOM 1246 C PRO A 82 -18.005 -16.938 35.186 1.00 0.00 C ATOM 1247 O PRO A 82 -17.725 -17.356 36.308 1.00 0.00 O ATOM 1248 CB PRO A 82 -20.473 -16.395 34.961 1.00 0.00 C ATOM 1249 CG PRO A 82 -20.807 -16.510 33.506 1.00 0.00 C ATOM 1250 CD PRO A 82 -20.012 -15.446 32.790 1.00 0.00 C ATOM 0 HA PRO A 82 -18.863 -15.170 35.865 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -20.520 -17.367 35.452 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -21.179 -15.743 35.475 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -20.554 -17.501 33.129 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -21.875 -16.370 33.343 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -19.591 -15.824 31.858 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -20.635 -14.589 32.534 1.00 0.00 H new ATOM 1258 N LEU A 83 -17.408 -17.395 34.090 1.00 0.00 N ATOM 1259 CA LEU A 83 -16.449 -18.512 34.145 1.00 0.00 C ATOM 1260 C LEU A 83 -15.207 -18.171 34.947 1.00 0.00 C ATOM 1261 O LEU A 83 -14.678 -19.015 35.674 1.00 0.00 O ATOM 1262 CB LEU A 83 -16.074 -18.996 32.754 1.00 0.00 C ATOM 1263 CG LEU A 83 -17.223 -19.575 31.950 1.00 0.00 C ATOM 1264 CD1 LEU A 83 -16.733 -20.185 30.664 1.00 0.00 C ATOM 1265 CD2 LEU A 83 -18.011 -20.586 32.758 1.00 0.00 C ATOM 0 H LEU A 83 -17.564 -17.018 33.155 1.00 0.00 H new ATOM 0 HA LEU A 83 -16.956 -19.325 34.664 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.644 -18.163 32.198 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -15.295 -19.753 32.846 1.00 0.00 H new ATOM 0 HG LEU A 83 -17.893 -18.752 31.701 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.578 -20.592 30.109 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.239 -19.421 30.064 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.027 -20.985 30.887 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -18.826 -20.981 32.152 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -17.355 -21.402 33.059 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -18.420 -20.103 33.646 1.00 0.00 H new ATOM 1277 N PHE A 84 -14.736 -16.941 34.810 1.00 0.00 N ATOM 1278 CA PHE A 84 -13.570 -16.488 35.557 1.00 0.00 C ATOM 1279 C PHE A 84 -13.808 -16.592 37.061 1.00 0.00 C ATOM 1280 O PHE A 84 -12.899 -16.915 37.820 1.00 0.00 O ATOM 1281 CB PHE A 84 -13.189 -15.061 35.164 1.00 0.00 C ATOM 1282 CG PHE A 84 -12.288 -14.970 33.956 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -12.811 -14.867 32.682 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -10.908 -14.980 34.110 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -11.980 -14.775 31.580 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -10.074 -14.891 33.013 1.00 0.00 C ATOM 1287 CZ PHE A 84 -10.611 -14.787 31.747 1.00 0.00 C ATOM 0 H PHE A 84 -15.141 -16.239 34.190 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.736 -17.142 35.303 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -14.100 -14.495 34.967 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.693 -14.584 36.009 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -13.882 -14.858 32.544 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.482 -15.058 35.099 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.403 -14.694 30.590 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.002 -14.903 33.146 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.961 -14.715 30.888 1.00 0.00 H new ATOM 1297 N GLU A 85 -15.025 -16.305 37.484 1.00 0.00 N ATOM 1298 CA GLU A 85 -15.388 -16.425 38.881 1.00 0.00 C ATOM 1299 C GLU A 85 -15.525 -17.899 39.284 1.00 0.00 C ATOM 1300 O GLU A 85 -15.055 -18.309 40.338 1.00 0.00 O ATOM 1301 CB GLU A 85 -16.688 -15.671 39.158 1.00 0.00 C ATOM 1302 CG GLU A 85 -16.583 -14.180 38.900 1.00 0.00 C ATOM 1303 CD GLU A 85 -17.865 -13.434 39.196 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -18.204 -13.270 40.387 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -18.519 -12.969 38.243 1.00 0.00 O ATOM 0 H GLU A 85 -15.780 -15.986 36.877 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.593 -15.982 39.481 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.480 -16.086 38.535 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.980 -15.834 40.195 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.780 -13.767 39.511 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.307 -14.016 37.858 1.00 0.00 H new ATOM 1312 N MET A 86 -16.140 -18.695 38.404 1.00 0.00 N ATOM 1313 CA MET A 86 -16.397 -20.123 38.669 1.00 0.00 C ATOM 1314 C MET A 86 -15.115 -20.924 38.882 1.00 0.00 C ATOM 1315 O MET A 86 -15.039 -21.758 39.791 1.00 0.00 O ATOM 1316 CB MET A 86 -17.177 -20.747 37.515 1.00 0.00 C ATOM 1317 CG MET A 86 -18.610 -20.278 37.402 1.00 0.00 C ATOM 1318 SD MET A 86 -19.460 -21.054 36.018 1.00 0.00 S ATOM 1319 CE MET A 86 -21.025 -20.197 36.071 1.00 0.00 C ATOM 0 H MET A 86 -16.473 -18.376 37.494 1.00 0.00 H new ATOM 0 HA MET A 86 -16.979 -20.163 39.590 1.00 0.00 H new ATOM 0 HB2 MET A 86 -16.660 -20.525 36.581 1.00 0.00 H new ATOM 0 HB3 MET A 86 -17.171 -21.831 37.632 1.00 0.00 H new ATOM 0 HG2 MET A 86 -19.140 -20.504 38.327 1.00 0.00 H new ATOM 0 HG3 MET A 86 -18.629 -19.195 37.280 1.00 0.00 H new ATOM 0 HE1 MET A 86 -21.805 -20.884 36.399 1.00 0.00 H new ATOM 0 HE2 MET A 86 -20.959 -19.362 36.769 1.00 0.00 H new ATOM 0 HE3 MET A 86 -21.267 -19.820 35.077 1.00 0.00 H new ATOM 1329 N THR A 87 -14.116 -20.671 38.062 1.00 0.00 N ATOM 1330 CA THR A 87 -12.860 -21.401 38.142 1.00 0.00 C ATOM 1331 C THR A 87 -12.125 -21.129 39.454 1.00 0.00 C ATOM 1332 O THR A 87 -11.415 -21.991 39.969 1.00 0.00 O ATOM 1333 CB THR A 87 -11.953 -21.088 36.938 1.00 0.00 C ATOM 1334 OG1 THR A 87 -11.894 -19.668 36.734 1.00 0.00 O ATOM 1335 CG2 THR A 87 -12.466 -21.780 35.672 1.00 0.00 C ATOM 0 H THR A 87 -14.146 -19.963 37.328 1.00 0.00 H new ATOM 0 HA THR A 87 -13.108 -22.462 38.116 1.00 0.00 H new ATOM 0 HB THR A 87 -10.953 -21.466 37.150 1.00 0.00 H new ATOM 0 HG1 THR A 87 -12.697 -19.373 36.256 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.808 -21.543 34.836 1.00 0.00 H new ATOM 0 HG22 THR A 87 -12.481 -22.859 35.828 1.00 0.00 H new ATOM 0 HG23 THR A 87 -13.475 -21.431 35.450 1.00 0.00 H new ATOM 1495 N PHE A 100 -23.249 -24.370 39.184 1.00 0.00 N ATOM 1496 CA PHE A 100 -23.192 -24.582 37.766 1.00 0.00 C ATOM 1497 C PHE A 100 -24.052 -23.548 37.081 1.00 0.00 C ATOM 1498 O PHE A 100 -24.760 -22.792 37.745 1.00 0.00 O ATOM 1499 CB PHE A 100 -23.619 -26.008 37.370 1.00 0.00 C ATOM 1500 CG PHE A 100 -25.030 -26.387 37.742 1.00 0.00 C ATOM 1501 CD1 PHE A 100 -26.099 -25.958 36.975 1.00 0.00 C ATOM 1502 CD2 PHE A 100 -25.279 -27.209 38.830 1.00 0.00 C ATOM 1503 CE1 PHE A 100 -27.390 -26.336 37.283 1.00 0.00 C ATOM 1504 CE2 PHE A 100 -26.569 -27.586 39.150 1.00 0.00 C ATOM 1505 CZ PHE A 100 -27.626 -27.149 38.375 1.00 0.00 C ATOM 0 HA PHE A 100 -22.157 -24.474 37.442 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -23.504 -26.117 36.292 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -22.935 -26.717 37.837 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -25.920 -25.318 36.123 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -24.455 -27.559 39.434 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -28.214 -25.997 36.672 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -26.751 -28.221 40.004 1.00 0.00 H new ATOM 0 HZ PHE A 100 -28.635 -27.443 38.622 1.00 0.00 H new ATOM 1515 N LEU A 101 -24.016 -23.522 35.780 1.00 0.00 N ATOM 1516 CA LEU A 101 -24.696 -22.493 35.047 1.00 0.00 C ATOM 1517 C LEU A 101 -25.938 -23.052 34.352 1.00 0.00 C ATOM 1518 O LEU A 101 -25.861 -24.026 33.601 1.00 0.00 O ATOM 1519 CB LEU A 101 -23.712 -21.895 34.057 1.00 0.00 C ATOM 1520 CG LEU A 101 -24.125 -20.617 33.350 1.00 0.00 C ATOM 1521 CD1 LEU A 101 -24.488 -19.545 34.366 1.00 0.00 C ATOM 1522 CD2 LEU A 101 -22.978 -20.137 32.491 1.00 0.00 C ATOM 0 H LEU A 101 -23.522 -24.203 35.204 1.00 0.00 H new ATOM 0 HA LEU A 101 -25.047 -21.712 35.722 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -22.778 -21.702 34.585 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -23.499 -22.647 33.297 1.00 0.00 H new ATOM 0 HG LEU A 101 -24.997 -20.816 32.727 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -24.782 -18.634 33.845 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -25.316 -19.894 34.983 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.626 -19.338 35.000 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -23.266 -19.219 31.979 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -22.108 -19.945 33.119 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -22.731 -20.901 31.754 1.00 0.00 H new ATOM 1534 N ALA A 102 -27.077 -22.434 34.624 1.00 0.00 N ATOM 1535 CA ALA A 102 -28.354 -22.871 34.081 1.00 0.00 C ATOM 1536 C ALA A 102 -29.097 -21.706 33.434 1.00 0.00 C ATOM 1537 O ALA A 102 -28.661 -20.559 33.526 1.00 0.00 O ATOM 1538 CB ALA A 102 -29.201 -23.492 35.180 1.00 0.00 C ATOM 0 H ALA A 102 -27.142 -21.615 35.228 1.00 0.00 H new ATOM 0 HA ALA A 102 -28.164 -23.620 33.313 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -30.155 -23.816 34.765 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -28.678 -24.351 35.601 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -29.378 -22.755 35.963 1.00 0.00 H new ATOM 1544 N ILE A 103 -30.213 -22.006 32.782 1.00 0.00 N ATOM 1545 CA ILE A 103 -31.008 -20.990 32.103 1.00 0.00 C ATOM 1546 C ILE A 103 -32.348 -20.761 32.814 1.00 0.00 C ATOM 1547 O ILE A 103 -33.090 -21.702 33.074 1.00 0.00 O ATOM 1548 CB ILE A 103 -31.298 -21.400 30.635 1.00 0.00 C ATOM 1549 CG1 ILE A 103 -29.994 -21.633 29.875 1.00 0.00 C ATOM 1550 CG2 ILE A 103 -32.132 -20.331 29.936 1.00 0.00 C ATOM 1551 CD1 ILE A 103 -30.196 -22.205 28.490 1.00 0.00 C ATOM 0 H ILE A 103 -30.590 -22.951 32.709 1.00 0.00 H new ATOM 0 HA ILE A 103 -30.424 -20.070 32.122 1.00 0.00 H new ATOM 0 HB ILE A 103 -31.864 -22.331 30.646 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -29.456 -20.688 29.794 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -29.363 -22.311 30.451 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -32.326 -20.635 28.907 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -33.079 -20.206 30.462 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -31.588 -19.386 29.938 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -29.228 -22.344 28.009 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -30.706 -23.166 28.564 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -30.800 -21.518 27.897 1.00 0.00 H new ATOM 1563 N LYS A 104 -32.640 -19.511 33.124 1.00 0.00 N ATOM 1564 CA LYS A 104 -33.906 -19.125 33.724 1.00 0.00 C ATOM 1565 C LYS A 104 -34.513 -17.998 32.939 1.00 0.00 C ATOM 1566 O LYS A 104 -33.841 -17.369 32.122 1.00 0.00 O ATOM 1567 CB LYS A 104 -33.735 -18.695 35.180 1.00 0.00 C ATOM 1568 CG LYS A 104 -33.634 -19.848 36.162 1.00 0.00 C ATOM 1569 CD LYS A 104 -35.005 -20.426 36.508 1.00 0.00 C ATOM 1570 CE LYS A 104 -35.744 -19.545 37.509 1.00 0.00 C ATOM 1571 NZ LYS A 104 -37.061 -20.115 37.897 1.00 0.00 N ATOM 0 H LYS A 104 -32.003 -18.730 32.966 1.00 0.00 H new ATOM 0 HA LYS A 104 -34.563 -19.995 33.704 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -32.837 -18.082 35.263 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -34.578 -18.065 35.462 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -33.007 -20.632 35.738 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -33.144 -19.506 37.074 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -35.600 -20.525 35.600 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -34.885 -21.427 36.921 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -35.129 -19.417 38.400 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -35.892 -18.555 37.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -37.526 -19.482 38.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -37.659 -20.214 37.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -36.920 -21.049 38.333 1.00 0.00 H new ATOM 1585 N ARG A 105 -35.768 -17.737 33.177 1.00 0.00 N ATOM 1586 CA ARG A 105 -36.443 -16.675 32.472 1.00 0.00 C ATOM 1587 C ARG A 105 -36.263 -15.369 33.211 1.00 0.00 C ATOM 1588 O ARG A 105 -36.517 -15.291 34.419 1.00 0.00 O ATOM 1589 CB ARG A 105 -37.931 -16.963 32.326 1.00 0.00 C ATOM 1590 CG ARG A 105 -38.258 -18.222 31.552 1.00 0.00 C ATOM 1591 CD ARG A 105 -39.756 -18.371 31.391 1.00 0.00 C ATOM 1592 NE ARG A 105 -40.299 -17.293 30.564 1.00 0.00 N ATOM 1593 CZ ARG A 105 -41.528 -16.792 30.659 1.00 0.00 C ATOM 1594 NH1 ARG A 105 -42.402 -17.304 31.524 1.00 0.00 N ATOM 1595 NH2 ARG A 105 -41.884 -15.776 29.876 1.00 0.00 N ATOM 0 H ARG A 105 -36.345 -18.241 33.850 1.00 0.00 H new ATOM 0 HA ARG A 105 -36.003 -16.606 31.477 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -38.372 -17.039 33.320 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -38.405 -16.115 31.831 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -37.783 -18.187 30.572 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -37.854 -19.091 32.072 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -39.983 -19.335 30.935 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -40.234 -18.361 32.370 1.00 0.00 H new ATOM 0 HE ARG A 105 -39.684 -16.892 29.856 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -42.131 -18.086 32.120 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -43.342 -16.914 31.590 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -41.217 -15.388 29.210 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -42.824 -15.386 29.942 1.00 0.00 H new ATOM 1609 N LYS A 106 -35.831 -14.345 32.503 1.00 0.00 N ATOM 1610 CA LYS A 106 -35.670 -13.042 33.110 1.00 0.00 C ATOM 1611 C LYS A 106 -37.040 -12.429 33.385 1.00 0.00 C ATOM 1612 O LYS A 106 -38.006 -12.703 32.662 1.00 0.00 O ATOM 1613 CB LYS A 106 -34.841 -12.119 32.212 1.00 0.00 C ATOM 1614 CG LYS A 106 -35.420 -11.910 30.826 1.00 0.00 C ATOM 1615 CD LYS A 106 -34.589 -10.930 30.010 1.00 0.00 C ATOM 1616 CE LYS A 106 -34.658 -9.519 30.579 1.00 0.00 C ATOM 1617 NZ LYS A 106 -33.947 -8.543 29.718 1.00 0.00 N ATOM 0 H LYS A 106 -35.587 -14.390 31.514 1.00 0.00 H new ATOM 0 HA LYS A 106 -35.136 -13.160 34.053 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -34.741 -11.150 32.701 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -33.837 -12.532 32.115 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -35.471 -12.866 30.305 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -36.441 -11.539 30.911 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -33.551 -11.263 29.989 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -34.943 -10.924 28.979 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -35.701 -9.220 30.683 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -34.222 -9.508 31.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -34.016 -7.594 30.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -32.946 -8.814 29.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -34.379 -8.535 28.772 1.00 0.00 H new