USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 806 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 40 GLN : amide:sc= -1.72 K(o=-2,f=-8.9!) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -1.04 F(o=-6.4!,f=-2) USER MOD Set 1.3: A 50 TYR OH : rot -154:sc= 0.78 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 179:sc= 0.586 (180deg=-0.0477) USER MOD Set 2.2: A 94 SER OG : rot 180:sc= 0.57 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -119:sc= 0.886 USER MOD Single : A 7 MET CE :methyl -134:sc= -0.47 (180deg=-1.08) USER MOD Single : A 10 SER OG : rot 135:sc= 0.381 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -130:sc= -1.76 USER MOD Single : A 103 THR OG1 : rot -120:sc= 0.465 USER MOD Single : A 108 THR OG1 : rot -29:sc= 0.183 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 1.907 -1.596 -2.682 1.00 0.00 N ATOM 19 CA ARG A 2 2.132 -2.638 -3.721 1.00 0.00 C ATOM 20 C ARG A 2 3.391 -3.481 -3.422 1.00 0.00 C ATOM 21 O ARG A 2 4.002 -4.070 -4.323 1.00 0.00 O ATOM 22 CB ARG A 2 2.180 -1.999 -5.139 1.00 0.00 C ATOM 23 CG ARG A 2 0.906 -1.205 -5.508 1.00 0.00 C ATOM 24 CD ARG A 2 0.932 -0.655 -6.940 1.00 0.00 C ATOM 25 NE ARG A 2 2.032 0.291 -7.171 1.00 0.00 N ATOM 26 CZ ARG A 2 2.126 1.101 -8.235 1.00 0.00 C ATOM 27 NH1 ARG A 2 1.169 1.130 -9.163 1.00 0.00 N ATOM 28 NH2 ARG A 2 3.175 1.890 -8.362 1.00 0.00 N ATOM 0 HA ARG A 2 1.286 -3.325 -3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.042 -1.334 -5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.333 -2.786 -5.877 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.036 -1.851 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.786 -0.377 -4.809 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.021 -1.485 -7.641 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.016 -0.160 -7.151 1.00 0.00 H new ATOM 0 HE ARG A 2 2.775 0.334 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.350 0.530 -9.069 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.256 1.752 -9.966 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.908 1.881 -7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.253 2.509 -9.169 1.00 0.00 H new ATOM 42 N LEU A 3 3.715 -3.580 -2.124 1.00 0.00 N ATOM 43 CA LEU A 3 4.914 -4.276 -1.633 1.00 0.00 C ATOM 44 C LEU A 3 4.603 -5.770 -1.366 1.00 0.00 C ATOM 45 O LEU A 3 3.436 -6.191 -1.403 1.00 0.00 O ATOM 46 CB LEU A 3 5.511 -3.532 -0.377 1.00 0.00 C ATOM 47 CG LEU A 3 4.512 -2.865 0.632 1.00 0.00 C ATOM 48 CD1 LEU A 3 3.455 -3.841 1.141 1.00 0.00 C ATOM 49 CD2 LEU A 3 5.250 -2.203 1.820 1.00 0.00 C ATOM 0 H LEU A 3 3.147 -3.176 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 3 5.686 -4.252 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.116 -4.249 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.186 -2.757 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 3 3.996 -2.085 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.790 -3.328 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.876 -4.222 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.942 -4.671 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.522 -1.753 2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.825 -2.957 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.923 -1.432 1.446 1.00 0.00 H new ATOM 61 N LYS A 4 5.662 -6.550 -1.102 1.00 0.00 N ATOM 62 CA LYS A 4 5.572 -8.018 -0.940 1.00 0.00 C ATOM 63 C LYS A 4 5.034 -8.405 0.463 1.00 0.00 C ATOM 64 O LYS A 4 4.795 -7.527 1.299 1.00 0.00 O ATOM 65 CB LYS A 4 6.975 -8.640 -1.201 1.00 0.00 C ATOM 66 CG LYS A 4 8.004 -8.429 -0.070 1.00 0.00 C ATOM 67 CD LYS A 4 9.414 -8.962 -0.410 1.00 0.00 C ATOM 68 CE LYS A 4 10.042 -8.257 -1.624 1.00 0.00 C ATOM 69 NZ LYS A 4 11.458 -8.642 -1.817 1.00 0.00 N ATOM 0 H LYS A 4 6.608 -6.185 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 4 4.861 -8.415 -1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.856 -9.711 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.378 -8.217 -2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.071 -7.365 0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.646 -8.923 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.064 -8.833 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.355 -10.032 -0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.474 -8.504 -2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.975 -7.177 -1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.843 -8.145 -2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.006 -8.383 -0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.521 -9.669 -1.970 1.00 0.00 H new ATOM 83 N SER A 5 4.888 -9.728 0.707 1.00 0.00 N ATOM 84 CA SER A 5 4.368 -10.295 1.980 1.00 0.00 C ATOM 85 C SER A 5 5.209 -9.820 3.190 1.00 0.00 C ATOM 86 O SER A 5 4.680 -9.260 4.152 1.00 0.00 O ATOM 87 CB SER A 5 4.414 -11.846 1.914 1.00 0.00 C ATOM 88 OG SER A 5 3.959 -12.326 0.665 1.00 0.00 O ATOM 0 H SER A 5 5.130 -10.442 0.020 1.00 0.00 H new ATOM 0 HA SER A 5 3.342 -9.950 2.110 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.434 -12.188 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.799 -12.263 2.711 1.00 0.00 H new ATOM 0 HG SER A 5 3.170 -12.891 0.800 1.00 0.00 H new ATOM 94 N GLU A 6 6.530 -10.050 3.077 1.00 0.00 N ATOM 95 CA GLU A 6 7.537 -9.720 4.106 1.00 0.00 C ATOM 96 C GLU A 6 7.516 -8.220 4.439 1.00 0.00 C ATOM 97 O GLU A 6 7.347 -7.819 5.600 1.00 0.00 O ATOM 98 CB GLU A 6 8.936 -10.169 3.570 1.00 0.00 C ATOM 99 CG GLU A 6 10.135 -10.046 4.543 1.00 0.00 C ATOM 100 CD GLU A 6 10.754 -8.640 4.655 1.00 0.00 C ATOM 101 OE1 GLU A 6 11.515 -8.253 3.749 1.00 0.00 O ATOM 102 OE2 GLU A 6 10.496 -7.928 5.645 1.00 0.00 O ATOM 0 H GLU A 6 6.938 -10.481 2.248 1.00 0.00 H new ATOM 0 HA GLU A 6 7.312 -10.245 5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.860 -11.210 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.161 -9.583 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.810 -10.361 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.911 -10.742 4.226 1.00 0.00 H new ATOM 109 N MET A 7 7.659 -7.410 3.380 1.00 0.00 N ATOM 110 CA MET A 7 7.771 -5.949 3.480 1.00 0.00 C ATOM 111 C MET A 7 6.452 -5.333 3.998 1.00 0.00 C ATOM 112 O MET A 7 6.468 -4.281 4.645 1.00 0.00 O ATOM 113 CB MET A 7 8.173 -5.365 2.100 1.00 0.00 C ATOM 114 CG MET A 7 8.548 -3.868 2.066 1.00 0.00 C ATOM 115 SD MET A 7 10.065 -3.453 2.977 1.00 0.00 S ATOM 116 CE MET A 7 9.478 -2.962 4.604 1.00 0.00 C ATOM 0 H MET A 7 7.700 -7.755 2.421 1.00 0.00 H new ATOM 0 HA MET A 7 8.548 -5.695 4.201 1.00 0.00 H new ATOM 0 HB2 MET A 7 9.020 -5.937 1.722 1.00 0.00 H new ATOM 0 HB3 MET A 7 7.346 -5.525 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 7 8.666 -3.559 1.027 1.00 0.00 H new ATOM 0 HG3 MET A 7 7.721 -3.289 2.478 1.00 0.00 H new ATOM 0 HE1 MET A 7 9.979 -2.043 4.909 1.00 0.00 H new ATOM 0 HE2 MET A 7 8.402 -2.794 4.567 1.00 0.00 H new ATOM 0 HE3 MET A 7 9.697 -3.751 5.323 1.00 0.00 H new ATOM 126 N PHE A 8 5.310 -6.018 3.735 1.00 0.00 N ATOM 127 CA PHE A 8 3.995 -5.598 4.265 1.00 0.00 C ATOM 128 C PHE A 8 3.966 -5.766 5.784 1.00 0.00 C ATOM 129 O PHE A 8 3.575 -4.846 6.488 1.00 0.00 O ATOM 130 CB PHE A 8 2.806 -6.385 3.626 1.00 0.00 C ATOM 131 CG PHE A 8 1.425 -5.840 4.034 1.00 0.00 C ATOM 132 CD1 PHE A 8 0.790 -6.270 5.205 1.00 0.00 C ATOM 133 CD2 PHE A 8 0.785 -4.863 3.270 1.00 0.00 C ATOM 134 CE1 PHE A 8 -0.428 -5.744 5.587 1.00 0.00 C ATOM 135 CE2 PHE A 8 -0.433 -4.338 3.656 1.00 0.00 C ATOM 136 CZ PHE A 8 -1.039 -4.776 4.812 1.00 0.00 C ATOM 0 H PHE A 8 5.277 -6.860 3.161 1.00 0.00 H new ATOM 0 HA PHE A 8 3.867 -4.548 4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.897 -6.348 2.540 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.875 -7.433 3.917 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.260 -7.024 5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.250 -4.511 2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.904 -6.089 6.493 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.911 -3.583 3.050 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.991 -4.364 5.113 1.00 0.00 H new ATOM 146 N VAL A 9 4.390 -6.950 6.262 1.00 0.00 N ATOM 147 CA VAL A 9 4.387 -7.298 7.702 1.00 0.00 C ATOM 148 C VAL A 9 5.236 -6.312 8.520 1.00 0.00 C ATOM 149 O VAL A 9 4.771 -5.775 9.530 1.00 0.00 O ATOM 150 CB VAL A 9 4.896 -8.765 7.933 1.00 0.00 C ATOM 151 CG1 VAL A 9 5.116 -9.081 9.423 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.934 -9.783 7.303 1.00 0.00 C ATOM 0 H VAL A 9 4.745 -7.696 5.664 1.00 0.00 H new ATOM 0 HA VAL A 9 3.355 -7.230 8.046 1.00 0.00 H new ATOM 0 HB VAL A 9 5.865 -8.845 7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.468 -10.107 9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.860 -8.398 9.834 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.177 -8.962 9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.308 -10.792 7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.947 -9.679 7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.863 -9.601 6.231 1.00 0.00 H new ATOM 162 N SER A 10 6.462 -6.055 8.037 1.00 0.00 N ATOM 163 CA SER A 10 7.404 -5.113 8.667 1.00 0.00 C ATOM 164 C SER A 10 6.787 -3.702 8.775 1.00 0.00 C ATOM 165 O SER A 10 6.894 -3.042 9.812 1.00 0.00 O ATOM 166 CB SER A 10 8.711 -5.070 7.854 1.00 0.00 C ATOM 167 OG SER A 10 9.284 -6.360 7.759 1.00 0.00 O ATOM 0 H SER A 10 6.830 -6.496 7.194 1.00 0.00 H new ATOM 0 HA SER A 10 7.621 -5.458 9.678 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.511 -4.681 6.856 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.417 -4.387 8.327 1.00 0.00 H new ATOM 0 HG SER A 10 9.571 -6.523 6.836 1.00 0.00 H new ATOM 173 N ALA A 11 6.098 -3.283 7.703 1.00 0.00 N ATOM 174 CA ALA A 11 5.416 -1.979 7.645 1.00 0.00 C ATOM 175 C ALA A 11 4.144 -1.961 8.522 1.00 0.00 C ATOM 176 O ALA A 11 3.828 -0.948 9.135 1.00 0.00 O ATOM 177 CB ALA A 11 5.087 -1.637 6.186 1.00 0.00 C ATOM 0 H ALA A 11 5.997 -3.837 6.852 1.00 0.00 H new ATOM 0 HA ALA A 11 6.087 -1.219 8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.582 -0.672 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.009 -1.590 5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.436 -2.406 5.770 1.00 0.00 H new ATOM 183 N LEU A 12 3.467 -3.117 8.601 1.00 0.00 N ATOM 184 CA LEU A 12 2.194 -3.313 9.342 1.00 0.00 C ATOM 185 C LEU A 12 2.409 -3.135 10.847 1.00 0.00 C ATOM 186 O LEU A 12 1.602 -2.515 11.551 1.00 0.00 O ATOM 187 CB LEU A 12 1.649 -4.737 9.036 1.00 0.00 C ATOM 188 CG LEU A 12 0.445 -5.252 9.887 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.805 -4.388 9.693 1.00 0.00 C ATOM 190 CD2 LEU A 12 0.155 -6.733 9.581 1.00 0.00 C ATOM 0 H LEU A 12 3.791 -3.968 8.142 1.00 0.00 H new ATOM 0 HA LEU A 12 1.469 -2.565 9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.354 -4.765 7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.471 -5.443 9.155 1.00 0.00 H new ATOM 0 HG LEU A 12 0.727 -5.170 10.937 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.618 -4.782 10.303 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.589 -3.363 9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.099 -4.404 8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.687 -7.071 10.185 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.088 -6.845 8.524 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.034 -7.332 9.817 1.00 0.00 H new ATOM 202 N ILE A 13 3.524 -3.684 11.309 1.00 0.00 N ATOM 203 CA ILE A 13 3.966 -3.593 12.698 1.00 0.00 C ATOM 204 C ILE A 13 4.300 -2.130 13.057 1.00 0.00 C ATOM 205 O ILE A 13 4.018 -1.670 14.158 1.00 0.00 O ATOM 206 CB ILE A 13 5.192 -4.565 12.902 1.00 0.00 C ATOM 207 CG1 ILE A 13 4.718 -6.042 12.710 1.00 0.00 C ATOM 208 CG2 ILE A 13 5.889 -4.374 14.266 1.00 0.00 C ATOM 209 CD1 ILE A 13 5.826 -7.054 12.519 1.00 0.00 C ATOM 0 H ILE A 13 4.162 -4.217 10.718 1.00 0.00 H new ATOM 0 HA ILE A 13 3.171 -3.903 13.376 1.00 0.00 H new ATOM 0 HB ILE A 13 5.941 -4.320 12.149 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.128 -6.333 13.579 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.056 -6.085 11.845 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.724 -5.070 14.348 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.259 -3.352 14.346 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.177 -4.565 15.069 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.394 -8.047 12.395 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.405 -6.796 11.632 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.478 -7.049 13.392 1.00 0.00 H new ATOM 221 N ARG A 14 4.851 -1.395 12.085 1.00 0.00 N ATOM 222 CA ARG A 14 5.169 0.045 12.238 1.00 0.00 C ATOM 223 C ARG A 14 3.889 0.914 12.189 1.00 0.00 C ATOM 224 O ARG A 14 3.838 1.978 12.821 1.00 0.00 O ATOM 225 CB ARG A 14 6.230 0.484 11.175 1.00 0.00 C ATOM 226 CG ARG A 14 7.709 0.274 11.608 1.00 0.00 C ATOM 227 CD ARG A 14 8.014 -1.142 12.122 1.00 0.00 C ATOM 228 NE ARG A 14 9.400 -1.278 12.606 1.00 0.00 N ATOM 229 CZ ARG A 14 9.787 -2.080 13.612 1.00 0.00 C ATOM 230 NH1 ARG A 14 8.887 -2.746 14.330 1.00 0.00 N ATOM 231 NH2 ARG A 14 11.075 -2.188 13.907 1.00 0.00 N ATOM 0 H ARG A 14 5.092 -1.773 11.169 1.00 0.00 H new ATOM 0 HA ARG A 14 5.609 0.201 13.223 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.053 -0.071 10.254 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.079 1.539 10.945 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.359 0.490 10.760 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.954 0.994 12.389 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.324 -1.389 12.929 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.839 -1.861 11.322 1.00 0.00 H new ATOM 0 HE ARG A 14 10.119 -0.722 12.143 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.894 -2.650 14.119 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.190 -3.353 15.092 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.767 -1.664 13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.374 -2.795 14.670 1.00 0.00 H new ATOM 245 N ARG A 15 2.855 0.436 11.457 1.00 0.00 N ATOM 246 CA ARG A 15 1.541 1.118 11.360 1.00 0.00 C ATOM 247 C ARG A 15 0.859 1.216 12.736 1.00 0.00 C ATOM 248 O ARG A 15 0.289 2.259 13.091 1.00 0.00 O ATOM 249 CB ARG A 15 0.590 0.380 10.375 1.00 0.00 C ATOM 250 CG ARG A 15 0.986 0.448 8.883 1.00 0.00 C ATOM 251 CD ARG A 15 -0.049 -0.251 7.969 1.00 0.00 C ATOM 252 NE ARG A 15 0.252 -0.069 6.535 1.00 0.00 N ATOM 253 CZ ARG A 15 -0.592 0.433 5.609 1.00 0.00 C ATOM 254 NH1 ARG A 15 -1.811 0.863 5.936 1.00 0.00 N ATOM 255 NH2 ARG A 15 -0.195 0.524 4.351 1.00 0.00 N ATOM 0 H ARG A 15 2.907 -0.429 10.919 1.00 0.00 H new ATOM 0 HA ARG A 15 1.736 2.122 10.984 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.534 -0.668 10.670 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.411 0.796 10.485 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.087 1.491 8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.962 -0.018 8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.073 -1.316 8.200 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.043 0.144 8.182 1.00 0.00 H new ATOM 0 HE ARG A 15 1.180 -0.347 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.125 0.817 6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.429 1.238 5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.741 0.216 4.088 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.825 0.902 3.643 1.00 0.00 H new ATOM 269 N VAL A 16 0.911 0.110 13.499 1.00 0.00 N ATOM 270 CA VAL A 16 0.241 0.029 14.806 1.00 0.00 C ATOM 271 C VAL A 16 0.980 0.884 15.858 1.00 0.00 C ATOM 272 O VAL A 16 0.341 1.494 16.707 1.00 0.00 O ATOM 273 CB VAL A 16 0.090 -1.450 15.321 1.00 0.00 C ATOM 274 CG1 VAL A 16 -0.482 -2.380 14.225 1.00 0.00 C ATOM 275 CG2 VAL A 16 1.412 -1.994 15.866 1.00 0.00 C ATOM 0 H VAL A 16 1.410 -0.739 13.232 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.764 0.426 14.662 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.625 -1.430 16.144 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.572 -3.393 14.618 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.465 -2.021 13.919 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.187 -2.383 13.364 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.269 -3.018 16.213 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.164 -1.980 15.077 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.746 -1.373 16.697 1.00 0.00 H new ATOM 285 N PHE A 17 2.335 0.922 15.785 1.00 0.00 N ATOM 286 CA PHE A 17 3.164 1.725 16.708 1.00 0.00 C ATOM 287 C PHE A 17 2.953 3.224 16.438 1.00 0.00 C ATOM 288 O PHE A 17 3.054 4.046 17.358 1.00 0.00 O ATOM 289 CB PHE A 17 4.670 1.347 16.604 1.00 0.00 C ATOM 290 CG PHE A 17 5.033 -0.027 17.176 1.00 0.00 C ATOM 291 CD1 PHE A 17 4.641 -0.383 18.463 1.00 0.00 C ATOM 292 CD2 PHE A 17 5.769 -0.956 16.442 1.00 0.00 C ATOM 293 CE1 PHE A 17 4.964 -1.614 18.994 1.00 0.00 C ATOM 294 CE2 PHE A 17 6.089 -2.193 16.980 1.00 0.00 C ATOM 295 CZ PHE A 17 5.684 -2.518 18.254 1.00 0.00 C ATOM 0 H PHE A 17 2.874 0.402 15.092 1.00 0.00 H new ATOM 0 HA PHE A 17 2.847 1.503 17.727 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.965 1.377 15.555 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.256 2.106 17.122 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.073 0.318 19.057 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.094 -0.709 15.442 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.649 -1.867 19.996 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.657 -2.903 16.398 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.932 -3.483 18.671 1.00 0.00 H new ATOM 305 N ALA A 18 2.640 3.559 15.171 1.00 0.00 N ATOM 306 CA ALA A 18 2.233 4.919 14.780 1.00 0.00 C ATOM 307 C ALA A 18 0.880 5.287 15.427 1.00 0.00 C ATOM 308 O ALA A 18 0.650 6.445 15.788 1.00 0.00 O ATOM 309 CB ALA A 18 2.159 5.029 13.250 1.00 0.00 C ATOM 0 H ALA A 18 2.663 2.897 14.395 1.00 0.00 H new ATOM 0 HA ALA A 18 2.980 5.627 15.139 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.857 6.039 12.972 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.138 4.812 12.822 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.430 4.314 12.869 1.00 0.00 H new ATOM 315 N ALA A 19 0.000 4.273 15.578 1.00 0.00 N ATOM 316 CA ALA A 19 -1.304 4.411 16.275 1.00 0.00 C ATOM 317 C ALA A 19 -1.156 4.264 17.808 1.00 0.00 C ATOM 318 O ALA A 19 -2.113 4.502 18.554 1.00 0.00 O ATOM 319 CB ALA A 19 -2.301 3.372 15.729 1.00 0.00 C ATOM 0 H ALA A 19 0.171 3.333 15.221 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.684 5.414 16.081 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.256 3.478 16.244 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.445 3.533 14.661 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.909 2.369 15.895 1.00 0.00 H new ATOM 325 N GLY A 20 0.038 3.841 18.268 1.00 0.00 N ATOM 326 CA GLY A 20 0.335 3.692 19.703 1.00 0.00 C ATOM 327 C GLY A 20 0.166 2.258 20.214 1.00 0.00 C ATOM 328 O GLY A 20 0.567 1.954 21.343 1.00 0.00 O ATOM 0 H GLY A 20 0.818 3.595 17.658 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.358 4.018 19.890 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.319 4.352 20.272 1.00 0.00 H new ATOM 332 N GLY A 21 -0.419 1.379 19.369 1.00 0.00 N ATOM 333 CA GLY A 21 -0.633 -0.034 19.710 1.00 0.00 C ATOM 334 C GLY A 21 0.631 -0.875 19.526 1.00 0.00 C ATOM 335 O GLY A 21 1.680 -0.346 19.150 1.00 0.00 O ATOM 0 H GLY A 21 -0.752 1.633 18.439 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.969 -0.109 20.744 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.430 -0.439 19.086 1.00 0.00 H new ATOM 339 N PHE A 22 0.519 -2.192 19.753 1.00 0.00 N ATOM 340 CA PHE A 22 1.668 -3.131 19.753 1.00 0.00 C ATOM 341 C PHE A 22 1.567 -4.105 18.566 1.00 0.00 C ATOM 342 O PHE A 22 0.474 -4.344 18.061 1.00 0.00 O ATOM 343 CB PHE A 22 1.714 -3.906 21.103 1.00 0.00 C ATOM 344 CG PHE A 22 2.771 -5.015 21.176 1.00 0.00 C ATOM 345 CD1 PHE A 22 4.115 -4.709 21.373 1.00 0.00 C ATOM 346 CD2 PHE A 22 2.416 -6.360 21.021 1.00 0.00 C ATOM 347 CE1 PHE A 22 5.067 -5.708 21.416 1.00 0.00 C ATOM 348 CE2 PHE A 22 3.369 -7.356 21.065 1.00 0.00 C ATOM 349 CZ PHE A 22 4.693 -7.031 21.263 1.00 0.00 C ATOM 0 H PHE A 22 -0.374 -2.646 19.944 1.00 0.00 H new ATOM 0 HA PHE A 22 2.592 -2.563 19.644 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.899 -3.194 21.908 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.734 -4.346 21.286 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.416 -3.679 21.493 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.380 -6.622 20.865 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.106 -5.456 21.569 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.078 -8.389 20.944 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.440 -7.810 21.299 1.00 0.00 H new ATOM 359 N ALA A 23 2.725 -4.625 18.108 1.00 0.00 N ATOM 360 CA ALA A 23 2.792 -5.701 17.099 1.00 0.00 C ATOM 361 C ALA A 23 4.150 -6.402 17.108 1.00 0.00 C ATOM 362 O ALA A 23 5.135 -5.869 17.644 1.00 0.00 O ATOM 363 CB ALA A 23 2.490 -5.197 15.688 1.00 0.00 C ATOM 0 H ALA A 23 3.641 -4.310 18.428 1.00 0.00 H new ATOM 0 HA ALA A 23 2.020 -6.418 17.379 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.552 -6.027 14.984 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.487 -4.772 15.660 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.215 -4.432 15.412 1.00 0.00 H new ATOM 369 N ALA A 24 4.165 -7.591 16.469 1.00 0.00 N ATOM 370 CA ALA A 24 5.348 -8.440 16.307 1.00 0.00 C ATOM 371 C ALA A 24 4.971 -9.654 15.457 1.00 0.00 C ATOM 372 O ALA A 24 3.904 -10.245 15.659 1.00 0.00 O ATOM 373 CB ALA A 24 5.907 -8.887 17.668 1.00 0.00 C ATOM 0 H ALA A 24 3.329 -7.991 16.043 1.00 0.00 H new ATOM 0 HA ALA A 24 6.130 -7.868 15.809 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.784 -9.515 17.513 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.188 -8.010 18.252 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.146 -9.453 18.206 1.00 0.00 H new ATOM 379 N VAL A 25 5.827 -10.010 14.493 1.00 0.00 N ATOM 380 CA VAL A 25 5.612 -11.191 13.650 1.00 0.00 C ATOM 381 C VAL A 25 6.110 -12.461 14.378 1.00 0.00 C ATOM 382 O VAL A 25 7.278 -12.559 14.766 1.00 0.00 O ATOM 383 CB VAL A 25 6.272 -11.035 12.227 1.00 0.00 C ATOM 384 CG1 VAL A 25 7.775 -10.662 12.293 1.00 0.00 C ATOM 385 CG2 VAL A 25 6.031 -12.295 11.358 1.00 0.00 C ATOM 0 H VAL A 25 6.680 -9.494 14.277 1.00 0.00 H new ATOM 0 HA VAL A 25 4.540 -11.291 13.478 1.00 0.00 H new ATOM 0 HB VAL A 25 5.776 -10.193 11.745 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.172 -10.569 11.282 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.892 -9.713 12.817 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.320 -11.441 12.826 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.497 -12.159 10.382 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.466 -13.165 11.850 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.960 -12.449 11.230 1.00 0.00 H new ATOM 395 N GLU A 26 5.181 -13.394 14.601 1.00 0.00 N ATOM 396 CA GLU A 26 5.452 -14.703 15.198 1.00 0.00 C ATOM 397 C GLU A 26 6.004 -15.671 14.143 1.00 0.00 C ATOM 398 O GLU A 26 7.170 -16.082 14.209 1.00 0.00 O ATOM 399 CB GLU A 26 4.151 -15.253 15.848 1.00 0.00 C ATOM 400 CG GLU A 26 3.596 -14.372 16.984 1.00 0.00 C ATOM 401 CD GLU A 26 4.579 -14.232 18.163 1.00 0.00 C ATOM 402 OE1 GLU A 26 4.646 -15.159 19.004 1.00 0.00 O ATOM 403 OE2 GLU A 26 5.304 -13.212 18.250 1.00 0.00 O ATOM 0 H GLU A 26 4.198 -13.257 14.366 1.00 0.00 H new ATOM 0 HA GLU A 26 6.211 -14.599 15.974 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.388 -15.357 15.077 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.347 -16.251 16.239 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.364 -13.382 16.590 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.660 -14.799 17.345 1.00 0.00 H new ATOM 410 N LYS A 27 5.159 -16.014 13.158 1.00 0.00 N ATOM 411 CA LYS A 27 5.487 -16.998 12.111 1.00 0.00 C ATOM 412 C LYS A 27 5.913 -16.292 10.821 1.00 0.00 C ATOM 413 O LYS A 27 5.344 -15.266 10.453 1.00 0.00 O ATOM 414 CB LYS A 27 4.269 -17.912 11.843 1.00 0.00 C ATOM 415 CG LYS A 27 4.481 -19.005 10.771 1.00 0.00 C ATOM 416 CD LYS A 27 3.270 -19.948 10.639 1.00 0.00 C ATOM 417 CE LYS A 27 3.481 -21.052 9.594 1.00 0.00 C ATOM 418 NZ LYS A 27 4.620 -21.944 9.912 1.00 0.00 N ATOM 0 H LYS A 27 4.225 -15.616 13.064 1.00 0.00 H new ATOM 0 HA LYS A 27 6.320 -17.610 12.458 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.986 -18.395 12.778 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.428 -17.288 11.540 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.675 -18.532 9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.366 -19.589 11.023 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.066 -20.406 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.390 -19.364 10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.572 -21.648 9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.647 -20.594 8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.701 -22.678 9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.498 -21.388 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.461 -22.393 10.836 1.00 0.00 H new ATOM 432 N LYS A 28 6.893 -16.881 10.130 1.00 0.00 N ATOM 433 CA LYS A 28 7.459 -16.353 8.881 1.00 0.00 C ATOM 434 C LYS A 28 7.269 -17.385 7.756 1.00 0.00 C ATOM 435 O LYS A 28 7.551 -18.568 7.953 1.00 0.00 O ATOM 436 CB LYS A 28 8.963 -16.022 9.096 1.00 0.00 C ATOM 437 CG LYS A 28 9.750 -15.694 7.804 1.00 0.00 C ATOM 438 CD LYS A 28 11.173 -15.163 8.084 1.00 0.00 C ATOM 439 CE LYS A 28 11.980 -14.897 6.802 1.00 0.00 C ATOM 440 NZ LYS A 28 13.318 -14.322 7.102 1.00 0.00 N ATOM 0 H LYS A 28 7.325 -17.756 10.427 1.00 0.00 H new ATOM 0 HA LYS A 28 6.945 -15.436 8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.040 -15.173 9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.440 -16.869 9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.817 -16.591 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.198 -14.952 7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.103 -14.241 8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.709 -15.885 8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.100 -15.828 6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.426 -14.213 6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.832 -14.157 6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.203 -13.421 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.856 -14.986 7.695 1.00 0.00 H new ATOM 454 N GLY A 29 6.785 -16.930 6.592 1.00 0.00 N ATOM 455 CA GLY A 29 6.598 -17.791 5.418 1.00 0.00 C ATOM 456 C GLY A 29 7.334 -17.271 4.189 1.00 0.00 C ATOM 457 O GLY A 29 8.503 -16.892 4.287 1.00 0.00 O ATOM 0 H GLY A 29 6.513 -15.959 6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.949 -18.797 5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.534 -17.869 5.194 1.00 0.00 H new ATOM 461 N ALA A 30 6.643 -17.256 3.030 1.00 0.00 N ATOM 462 CA ALA A 30 7.217 -16.802 1.748 1.00 0.00 C ATOM 463 C ALA A 30 7.175 -15.267 1.649 1.00 0.00 C ATOM 464 O ALA A 30 6.140 -14.650 1.916 1.00 0.00 O ATOM 465 CB ALA A 30 6.480 -17.452 0.564 1.00 0.00 C ATOM 0 H ALA A 30 5.672 -17.558 2.958 1.00 0.00 H new ATOM 0 HA ALA A 30 8.261 -17.114 1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.918 -17.105 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.573 -18.536 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.426 -17.176 0.596 1.00 0.00 H new ATOM 471 N GLU A 31 8.306 -14.671 1.245 1.00 0.00 N ATOM 472 CA GLU A 31 8.506 -13.211 1.252 1.00 0.00 C ATOM 473 C GLU A 31 7.646 -12.489 0.201 1.00 0.00 C ATOM 474 O GLU A 31 7.118 -11.421 0.472 1.00 0.00 O ATOM 475 CB GLU A 31 9.991 -12.877 0.997 1.00 0.00 C ATOM 476 CG GLU A 31 10.968 -13.521 1.993 1.00 0.00 C ATOM 477 CD GLU A 31 12.434 -13.226 1.640 1.00 0.00 C ATOM 478 OE1 GLU A 31 12.966 -12.180 2.073 1.00 0.00 O ATOM 479 OE2 GLU A 31 13.056 -14.035 0.916 1.00 0.00 O ATOM 0 H GLU A 31 9.114 -15.190 0.902 1.00 0.00 H new ATOM 0 HA GLU A 31 8.198 -12.859 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.255 -13.198 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.118 -11.795 1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.756 -13.153 2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.810 -14.599 2.009 1.00 0.00 H new ATOM 486 N ALA A 32 7.545 -13.069 -0.999 1.00 0.00 N ATOM 487 CA ALA A 32 6.866 -12.433 -2.149 1.00 0.00 C ATOM 488 C ALA A 32 5.369 -12.805 -2.218 1.00 0.00 C ATOM 489 O ALA A 32 4.496 -11.925 -2.205 1.00 0.00 O ATOM 490 CB ALA A 32 7.588 -12.812 -3.453 1.00 0.00 C ATOM 0 H ALA A 32 7.928 -13.991 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 32 6.914 -11.353 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.085 -12.341 -4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.622 -12.469 -3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.570 -13.895 -3.577 1.00 0.00 H new ATOM 496 N ALA A 33 5.088 -14.118 -2.253 1.00 0.00 N ATOM 497 CA ALA A 33 3.746 -14.665 -2.559 1.00 0.00 C ATOM 498 C ALA A 33 3.085 -15.336 -1.341 1.00 0.00 C ATOM 499 O ALA A 33 2.019 -15.955 -1.480 1.00 0.00 O ATOM 500 CB ALA A 33 3.870 -15.667 -3.726 1.00 0.00 C ATOM 0 H ALA A 33 5.787 -14.838 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 33 3.099 -13.834 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.887 -16.076 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.269 -15.157 -4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.542 -16.477 -3.441 1.00 0.00 H new ATOM 506 N GLY A 34 3.711 -15.211 -0.156 1.00 0.00 N ATOM 507 CA GLY A 34 3.189 -15.830 1.070 1.00 0.00 C ATOM 508 C GLY A 34 1.904 -15.183 1.579 1.00 0.00 C ATOM 509 O GLY A 34 1.668 -13.987 1.351 1.00 0.00 O ATOM 0 H GLY A 34 4.577 -14.688 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.004 -16.888 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.949 -15.772 1.849 1.00 0.00 H new ATOM 513 N ALA A 35 1.063 -15.980 2.258 1.00 0.00 N ATOM 514 CA ALA A 35 -0.160 -15.481 2.909 1.00 0.00 C ATOM 515 C ALA A 35 0.224 -14.708 4.187 1.00 0.00 C ATOM 516 O ALA A 35 1.347 -14.840 4.667 1.00 0.00 O ATOM 517 CB ALA A 35 -1.109 -16.653 3.224 1.00 0.00 C ATOM 0 H ALA A 35 1.210 -16.983 2.371 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.686 -14.802 2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.010 -16.272 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.379 -17.161 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.610 -17.356 3.892 1.00 0.00 H new ATOM 523 N ILE A 36 -0.695 -13.890 4.723 1.00 0.00 N ATOM 524 CA ILE A 36 -0.455 -13.092 5.948 1.00 0.00 C ATOM 525 C ILE A 36 -1.715 -13.166 6.826 1.00 0.00 C ATOM 526 O ILE A 36 -2.728 -12.539 6.497 1.00 0.00 O ATOM 527 CB ILE A 36 -0.153 -11.565 5.662 1.00 0.00 C ATOM 528 CG1 ILE A 36 0.888 -11.328 4.527 1.00 0.00 C ATOM 529 CG2 ILE A 36 0.295 -10.853 6.968 1.00 0.00 C ATOM 530 CD1 ILE A 36 2.294 -11.772 4.847 1.00 0.00 C ATOM 0 H ILE A 36 -1.625 -13.759 4.325 1.00 0.00 H new ATOM 0 HA ILE A 36 0.425 -13.513 6.434 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.087 -11.132 5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.553 -11.852 3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.905 -10.265 4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.500 -9.803 6.758 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.498 -10.926 7.713 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.198 -11.329 7.351 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.943 -11.565 3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.657 -11.230 5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.299 -12.842 5.056 1.00 0.00 H new ATOM 542 N PHE A 37 -1.672 -13.942 7.912 1.00 0.00 N ATOM 543 CA PHE A 37 -2.787 -14.033 8.864 1.00 0.00 C ATOM 544 C PHE A 37 -2.417 -13.309 10.161 1.00 0.00 C ATOM 545 O PHE A 37 -1.534 -13.734 10.902 1.00 0.00 O ATOM 546 CB PHE A 37 -3.187 -15.506 9.106 1.00 0.00 C ATOM 547 CG PHE A 37 -3.961 -16.107 7.933 1.00 0.00 C ATOM 548 CD1 PHE A 37 -3.304 -16.535 6.781 1.00 0.00 C ATOM 549 CD2 PHE A 37 -5.350 -16.212 7.972 1.00 0.00 C ATOM 550 CE1 PHE A 37 -4.006 -17.048 5.713 1.00 0.00 C ATOM 551 CE2 PHE A 37 -6.052 -16.727 6.903 1.00 0.00 C ATOM 552 CZ PHE A 37 -5.381 -17.143 5.774 1.00 0.00 C ATOM 0 H PHE A 37 -0.870 -14.522 8.157 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.663 -13.539 8.444 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.289 -16.097 9.285 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.795 -15.570 10.008 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.228 -16.463 6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.884 -15.885 8.852 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.480 -17.376 4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.128 -16.804 6.951 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.932 -17.544 4.936 1.00 0.00 H new ATOM 562 N VAL A 38 -3.128 -12.211 10.424 1.00 0.00 N ATOM 563 CA VAL A 38 -2.834 -11.282 11.518 1.00 0.00 C ATOM 564 C VAL A 38 -3.903 -11.434 12.606 1.00 0.00 C ATOM 565 O VAL A 38 -5.089 -11.408 12.310 1.00 0.00 O ATOM 566 CB VAL A 38 -2.813 -9.797 10.980 1.00 0.00 C ATOM 567 CG1 VAL A 38 -2.440 -8.787 12.088 1.00 0.00 C ATOM 568 CG2 VAL A 38 -1.854 -9.662 9.777 1.00 0.00 C ATOM 0 H VAL A 38 -3.941 -11.937 9.872 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.854 -11.511 11.936 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.824 -9.560 10.648 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.437 -7.778 11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.170 -8.847 12.895 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.449 -9.023 12.477 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.856 -8.631 9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.845 -9.938 10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.183 -10.321 8.974 1.00 0.00 H new ATOM 578 N ARG A 39 -3.477 -11.593 13.859 1.00 0.00 N ATOM 579 CA ARG A 39 -4.385 -11.692 15.013 1.00 0.00 C ATOM 580 C ARG A 39 -4.318 -10.372 15.799 1.00 0.00 C ATOM 581 O ARG A 39 -3.229 -9.888 16.104 1.00 0.00 O ATOM 582 CB ARG A 39 -4.004 -12.897 15.933 1.00 0.00 C ATOM 583 CG ARG A 39 -2.538 -12.892 16.445 1.00 0.00 C ATOM 584 CD ARG A 39 -2.311 -13.766 17.693 1.00 0.00 C ATOM 585 NE ARG A 39 -2.438 -15.213 17.432 1.00 0.00 N ATOM 586 CZ ARG A 39 -3.050 -16.086 18.238 1.00 0.00 C ATOM 587 NH1 ARG A 39 -3.844 -15.665 19.215 1.00 0.00 N ATOM 588 NH2 ARG A 39 -2.931 -17.379 17.999 1.00 0.00 N ATOM 0 H ARG A 39 -2.490 -11.658 14.108 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.401 -11.866 14.658 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.674 -12.904 16.793 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.179 -13.823 15.385 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.883 -13.239 15.646 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.246 -11.867 16.673 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.317 -13.563 18.092 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.028 -13.480 18.462 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.027 -15.574 16.571 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.992 -14.666 19.357 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.306 -16.341 19.824 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.377 -17.702 17.206 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.393 -18.055 18.607 1.00 0.00 H new ATOM 602 N GLN A 40 -5.480 -9.770 16.073 1.00 0.00 N ATOM 603 CA GLN A 40 -5.579 -8.523 16.851 1.00 0.00 C ATOM 604 C GLN A 40 -6.150 -8.816 18.224 1.00 0.00 C ATOM 605 O GLN A 40 -7.272 -9.304 18.315 1.00 0.00 O ATOM 606 CB GLN A 40 -6.486 -7.492 16.133 1.00 0.00 C ATOM 607 CG GLN A 40 -6.701 -6.184 16.929 1.00 0.00 C ATOM 608 CD GLN A 40 -7.563 -5.150 16.212 1.00 0.00 C ATOM 609 OE1 GLN A 40 -7.579 -5.078 14.999 1.00 0.00 O ATOM 610 NE2 GLN A 40 -8.251 -4.323 16.970 1.00 0.00 N ATOM 0 H GLN A 40 -6.382 -10.131 15.763 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.577 -8.104 16.947 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.047 -7.249 15.165 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.456 -7.950 15.937 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.164 -6.426 17.886 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.729 -5.741 17.148 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.215 -4.412 17.985 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.821 -3.593 16.542 1.00 0.00 H new ATOM 619 N ARG A 41 -5.399 -8.512 19.292 1.00 0.00 N ATOM 620 CA ARG A 41 -5.946 -8.572 20.649 1.00 0.00 C ATOM 621 C ARG A 41 -6.741 -7.290 20.920 1.00 0.00 C ATOM 622 O ARG A 41 -6.169 -6.202 20.944 1.00 0.00 O ATOM 623 CB ARG A 41 -4.859 -8.729 21.735 1.00 0.00 C ATOM 624 CG ARG A 41 -5.436 -9.164 23.112 1.00 0.00 C ATOM 625 CD ARG A 41 -4.444 -9.019 24.277 1.00 0.00 C ATOM 626 NE ARG A 41 -4.211 -7.609 24.639 1.00 0.00 N ATOM 627 CZ ARG A 41 -3.661 -7.182 25.786 1.00 0.00 C ATOM 628 NH1 ARG A 41 -3.218 -8.045 26.693 1.00 0.00 N ATOM 629 NH2 ARG A 41 -3.537 -5.882 26.002 1.00 0.00 N ATOM 0 H ARG A 41 -4.421 -8.225 19.241 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.582 -9.455 20.702 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.127 -9.466 21.405 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.330 -7.783 21.851 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.324 -8.569 23.327 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.757 -10.204 23.048 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.825 -9.557 25.145 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.496 -9.484 24.005 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.491 -6.900 23.962 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.293 -9.048 26.522 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.802 -7.705 27.560 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.858 -5.215 25.300 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.120 -5.547 26.871 1.00 0.00 H new ATOM 643 N LEU A 42 -8.056 -7.436 21.083 1.00 0.00 N ATOM 644 CA LEU A 42 -8.947 -6.346 21.501 1.00 0.00 C ATOM 645 C LEU A 42 -8.802 -6.105 23.010 1.00 0.00 C ATOM 646 O LEU A 42 -8.441 -7.019 23.769 1.00 0.00 O ATOM 647 CB LEU A 42 -10.433 -6.682 21.158 1.00 0.00 C ATOM 648 CG LEU A 42 -10.837 -6.681 19.649 1.00 0.00 C ATOM 649 CD1 LEU A 42 -10.565 -5.323 18.990 1.00 0.00 C ATOM 650 CD2 LEU A 42 -10.158 -7.813 18.873 1.00 0.00 C ATOM 0 H LEU A 42 -8.540 -8.320 20.928 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.664 -5.443 20.961 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.660 -7.667 21.567 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.070 -5.966 21.678 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.912 -6.859 19.613 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.859 -5.362 17.941 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.140 -4.550 19.499 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.502 -5.091 19.061 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.467 -7.775 17.828 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.076 -7.699 18.936 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.447 -8.773 19.302 1.00 0.00 H new ATOM 662 N ARG A 43 -9.129 -4.879 23.436 1.00 0.00 N ATOM 663 CA ARG A 43 -9.091 -4.480 24.855 1.00 0.00 C ATOM 664 C ARG A 43 -10.192 -5.203 25.664 1.00 0.00 C ATOM 665 O ARG A 43 -10.129 -5.273 26.897 1.00 0.00 O ATOM 666 CB ARG A 43 -9.253 -2.946 24.961 1.00 0.00 C ATOM 667 CG ARG A 43 -10.665 -2.411 24.615 1.00 0.00 C ATOM 668 CD ARG A 43 -10.696 -0.883 24.487 1.00 0.00 C ATOM 669 NE ARG A 43 -10.149 -0.219 25.680 1.00 0.00 N ATOM 670 CZ ARG A 43 -9.377 0.875 25.671 1.00 0.00 C ATOM 671 NH1 ARG A 43 -9.100 1.507 24.534 1.00 0.00 N ATOM 672 NH2 ARG A 43 -8.911 1.342 26.811 1.00 0.00 N ATOM 0 H ARG A 43 -9.428 -4.132 22.809 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.129 -4.770 25.278 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.003 -2.639 25.977 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.529 -2.473 24.298 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.001 -2.858 23.679 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.368 -2.723 25.388 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.124 -0.581 23.610 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.723 -0.553 24.327 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.376 -0.625 26.588 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.477 1.160 23.652 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.510 2.339 24.544 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.139 0.871 27.686 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.322 2.175 26.818 1.00 0.00 H new ATOM 686 N ASP A 44 -11.196 -5.739 24.934 1.00 0.00 N ATOM 687 CA ASP A 44 -12.309 -6.528 25.498 1.00 0.00 C ATOM 688 C ASP A 44 -11.815 -7.845 26.130 1.00 0.00 C ATOM 689 O ASP A 44 -12.492 -8.432 26.980 1.00 0.00 O ATOM 690 CB ASP A 44 -13.336 -6.859 24.377 1.00 0.00 C ATOM 691 CG ASP A 44 -13.870 -5.619 23.623 1.00 0.00 C ATOM 692 OD1 ASP A 44 -14.673 -4.854 24.203 1.00 0.00 O ATOM 693 OD2 ASP A 44 -13.500 -5.410 22.440 1.00 0.00 O ATOM 0 H ASP A 44 -11.254 -5.633 23.921 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.776 -5.928 26.279 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.869 -7.534 23.660 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.178 -7.394 24.817 1.00 0.00 H new ATOM 698 N GLY A 45 -10.623 -8.290 25.700 1.00 0.00 N ATOM 699 CA GLY A 45 -10.092 -9.612 26.037 1.00 0.00 C ATOM 700 C GLY A 45 -10.170 -10.551 24.851 1.00 0.00 C ATOM 701 O GLY A 45 -9.520 -11.599 24.827 1.00 0.00 O ATOM 0 H GLY A 45 -10.002 -7.738 25.108 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.056 -9.519 26.363 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.653 -10.030 26.873 1.00 0.00 H new ATOM 705 N ARG A 46 -10.968 -10.155 23.850 1.00 0.00 N ATOM 706 CA ARG A 46 -11.203 -10.937 22.634 1.00 0.00 C ATOM 707 C ARG A 46 -10.103 -10.709 21.602 1.00 0.00 C ATOM 708 O ARG A 46 -9.183 -9.920 21.822 1.00 0.00 O ATOM 709 CB ARG A 46 -12.588 -10.562 22.050 1.00 0.00 C ATOM 710 CG ARG A 46 -13.783 -10.884 22.976 1.00 0.00 C ATOM 711 CD ARG A 46 -13.752 -12.338 23.465 1.00 0.00 C ATOM 712 NE ARG A 46 -14.949 -12.704 24.250 1.00 0.00 N ATOM 713 CZ ARG A 46 -15.013 -13.708 25.145 1.00 0.00 C ATOM 714 NH1 ARG A 46 -13.943 -14.429 25.441 1.00 0.00 N ATOM 715 NH2 ARG A 46 -16.162 -14.002 25.726 1.00 0.00 N ATOM 0 H ARG A 46 -11.474 -9.270 23.865 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.189 -11.996 22.890 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.596 -9.496 21.825 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.724 -11.089 21.105 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.769 -10.212 23.834 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.716 -10.700 22.443 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.669 -13.004 22.606 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.862 -12.492 24.075 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.794 -12.152 24.102 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.051 -14.228 24.989 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.010 -15.186 26.122 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.001 -13.469 25.497 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.211 -14.762 26.404 1.00 0.00 H new ATOM 729 N GLU A 47 -10.227 -11.413 20.469 1.00 0.00 N ATOM 730 CA GLU A 47 -9.289 -11.327 19.347 1.00 0.00 C ATOM 731 C GLU A 47 -10.038 -11.423 18.014 1.00 0.00 C ATOM 732 O GLU A 47 -11.081 -12.077 17.907 1.00 0.00 O ATOM 733 CB GLU A 47 -8.175 -12.415 19.403 1.00 0.00 C ATOM 734 CG GLU A 47 -7.131 -12.247 20.523 1.00 0.00 C ATOM 735 CD GLU A 47 -5.926 -13.199 20.374 1.00 0.00 C ATOM 736 OE1 GLU A 47 -5.970 -14.328 20.906 1.00 0.00 O ATOM 737 OE2 GLU A 47 -4.927 -12.822 19.722 1.00 0.00 O ATOM 0 H GLU A 47 -10.993 -12.067 20.306 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.799 -10.357 19.428 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.650 -13.389 19.518 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.655 -12.425 18.445 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.774 -11.217 20.528 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.609 -12.423 21.487 1.00 0.00 H new ATOM 744 N ASN A 48 -9.516 -10.702 17.019 1.00 0.00 N ATOM 745 CA ASN A 48 -9.904 -10.842 15.605 1.00 0.00 C ATOM 746 C ASN A 48 -8.796 -11.596 14.867 1.00 0.00 C ATOM 747 O ASN A 48 -7.672 -11.734 15.368 1.00 0.00 O ATOM 748 CB ASN A 48 -10.146 -9.453 14.923 1.00 0.00 C ATOM 749 CG ASN A 48 -11.464 -8.752 15.281 1.00 0.00 C ATOM 750 OD1 ASN A 48 -11.916 -8.883 16.514 1.00 0.00 O flip ATOM 751 ND2 ASN A 48 -12.067 -8.074 14.446 1.00 0.00 N flip ATOM 0 H ASN A 48 -8.800 -9.992 17.171 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.843 -11.393 15.557 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.321 -8.791 15.188 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.111 -9.589 13.842 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.699 -7.986 13.499 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.933 -7.601 14.703 1.00 0.00 H new ATOM 758 N LEU A 49 -9.124 -12.087 13.676 1.00 0.00 N ATOM 759 CA LEU A 49 -8.168 -12.720 12.771 1.00 0.00 C ATOM 760 C LEU A 49 -8.375 -12.098 11.396 1.00 0.00 C ATOM 761 O LEU A 49 -9.502 -11.798 11.011 1.00 0.00 O ATOM 762 CB LEU A 49 -8.351 -14.272 12.737 1.00 0.00 C ATOM 763 CG LEU A 49 -7.035 -15.115 12.758 1.00 0.00 C ATOM 764 CD1 LEU A 49 -7.328 -16.609 12.941 1.00 0.00 C ATOM 765 CD2 LEU A 49 -6.170 -14.878 11.503 1.00 0.00 C ATOM 0 H LEU A 49 -10.074 -12.056 13.306 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.147 -12.550 13.114 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.961 -14.565 13.591 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.912 -14.533 11.840 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.461 -14.773 13.619 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.391 -17.165 12.951 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.852 -16.764 13.884 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.950 -16.961 12.118 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.267 -15.485 11.564 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.735 -15.156 10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.896 -13.825 11.444 1.00 0.00 H new ATOM 777 N TYR A 50 -7.274 -11.872 10.698 1.00 0.00 N ATOM 778 CA TYR A 50 -7.247 -11.249 9.379 1.00 0.00 C ATOM 779 C TYR A 50 -6.469 -12.151 8.436 1.00 0.00 C ATOM 780 O TYR A 50 -5.627 -12.921 8.882 1.00 0.00 O ATOM 781 CB TYR A 50 -6.607 -9.839 9.462 1.00 0.00 C ATOM 782 CG TYR A 50 -7.304 -8.952 10.500 1.00 0.00 C ATOM 783 CD1 TYR A 50 -8.613 -8.526 10.302 1.00 0.00 C ATOM 784 CD2 TYR A 50 -6.679 -8.594 11.696 1.00 0.00 C ATOM 785 CE1 TYR A 50 -9.274 -7.780 11.245 1.00 0.00 C ATOM 786 CE2 TYR A 50 -7.341 -7.838 12.638 1.00 0.00 C ATOM 787 CZ TYR A 50 -8.639 -7.435 12.405 1.00 0.00 C ATOM 788 OH TYR A 50 -9.313 -6.688 13.343 1.00 0.00 O ATOM 0 H TYR A 50 -6.347 -12.123 11.041 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.262 -11.124 9.002 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.552 -9.934 9.717 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.657 -9.360 8.484 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.121 -8.788 9.385 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.665 -8.914 11.885 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.293 -7.466 11.071 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.845 -7.562 13.557 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.670 -6.183 13.883 1.00 0.00 H new ATOM 798 N GLY A 51 -6.777 -12.067 7.146 1.00 0.00 N ATOM 799 CA GLY A 51 -6.099 -12.860 6.126 1.00 0.00 C ATOM 800 C GLY A 51 -6.075 -12.130 4.803 1.00 0.00 C ATOM 801 O GLY A 51 -6.806 -11.147 4.644 1.00 0.00 O ATOM 0 H GLY A 51 -7.501 -11.450 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.079 -13.076 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.605 -13.818 6.008 1.00 0.00 H new ATOM 805 N PRO A 52 -5.246 -12.574 3.815 1.00 0.00 N ATOM 806 CA PRO A 52 -5.207 -11.938 2.486 1.00 0.00 C ATOM 807 C PRO A 52 -6.512 -12.218 1.714 1.00 0.00 C ATOM 808 O PRO A 52 -6.820 -13.375 1.385 1.00 0.00 O ATOM 809 CB PRO A 52 -3.961 -12.582 1.819 1.00 0.00 C ATOM 810 CG PRO A 52 -3.824 -13.921 2.487 1.00 0.00 C ATOM 811 CD PRO A 52 -4.302 -13.723 3.911 1.00 0.00 C ATOM 0 HA PRO A 52 -5.132 -10.851 2.516 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.098 -12.688 0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.071 -11.971 1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.421 -14.676 1.976 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.790 -14.264 2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.797 -14.616 4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.473 -13.504 4.584 1.00 0.00 H new ATOM 819 N ALA A 53 -7.303 -11.154 1.490 1.00 0.00 N ATOM 820 CA ALA A 53 -8.545 -11.231 0.701 1.00 0.00 C ATOM 821 C ALA A 53 -8.226 -11.658 -0.747 1.00 0.00 C ATOM 822 O ALA A 53 -7.126 -11.350 -1.234 1.00 0.00 O ATOM 823 CB ALA A 53 -9.294 -9.883 0.726 1.00 0.00 C ATOM 0 H ALA A 53 -7.101 -10.221 1.849 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.197 -11.982 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.208 -9.963 0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.547 -9.626 1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.658 -9.105 0.304 1.00 0.00 H new ATOM 1022 N GLU A 67 -1.902 -3.469 -4.645 1.00 0.00 N ATOM 1023 CA GLU A 67 -1.573 -4.122 -3.369 1.00 0.00 C ATOM 1024 C GLU A 67 -2.697 -5.082 -2.962 1.00 0.00 C ATOM 1025 O GLU A 67 -3.885 -4.784 -3.168 1.00 0.00 O ATOM 1026 CB GLU A 67 -1.319 -3.068 -2.258 1.00 0.00 C ATOM 1027 CG GLU A 67 -0.954 -3.659 -0.875 1.00 0.00 C ATOM 1028 CD GLU A 67 -0.376 -2.616 0.089 1.00 0.00 C ATOM 1029 OE1 GLU A 67 0.813 -2.284 -0.055 1.00 0.00 O ATOM 1030 OE2 GLU A 67 -1.096 -2.119 0.983 1.00 0.00 O ATOM 0 HA GLU A 67 -0.656 -4.696 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.513 -2.408 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.212 -2.452 -2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.844 -4.103 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.230 -4.462 -1.009 1.00 0.00 H new ATOM 1037 N ARG A 68 -2.299 -6.238 -2.410 1.00 0.00 N ATOM 1038 CA ARG A 68 -3.230 -7.218 -1.844 1.00 0.00 C ATOM 1039 C ARG A 68 -3.908 -6.626 -0.589 1.00 0.00 C ATOM 1040 O ARG A 68 -3.235 -6.164 0.348 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.486 -8.549 -1.515 1.00 0.00 C ATOM 1042 CG ARG A 68 -1.333 -8.425 -0.482 1.00 0.00 C ATOM 1043 CD ARG A 68 -0.553 -9.736 -0.291 1.00 0.00 C ATOM 1044 NE ARG A 68 0.090 -10.168 -1.550 1.00 0.00 N ATOM 1045 CZ ARG A 68 1.294 -10.752 -1.651 1.00 0.00 C ATOM 1046 NH1 ARG A 68 2.017 -10.988 -0.572 1.00 0.00 N ATOM 1047 NH2 ARG A 68 1.764 -11.102 -2.838 1.00 0.00 N ATOM 0 H ARG A 68 -1.320 -6.517 -2.345 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.004 -7.447 -2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.213 -9.269 -1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.081 -8.958 -2.440 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.645 -7.644 -0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.744 -8.111 0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.206 -9.601 0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.229 -10.516 0.061 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.425 -10.009 -2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.661 -10.726 0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.931 -11.432 -0.658 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.211 -10.928 -3.677 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.679 -11.546 -2.913 1.00 0.00 H new ATOM 1061 N ARG A 69 -5.239 -6.593 -0.604 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.038 -6.089 0.510 1.00 0.00 C ATOM 1063 C ARG A 69 -6.437 -7.276 1.398 1.00 0.00 C ATOM 1064 O ARG A 69 -6.464 -8.419 0.934 1.00 0.00 O ATOM 1065 CB ARG A 69 -7.262 -5.321 -0.049 1.00 0.00 C ATOM 1066 CG ARG A 69 -8.044 -4.495 0.994 1.00 0.00 C ATOM 1067 CD ARG A 69 -9.053 -3.544 0.336 1.00 0.00 C ATOM 1068 NE ARG A 69 -9.813 -2.760 1.318 1.00 0.00 N ATOM 1069 CZ ARG A 69 -10.460 -1.621 1.045 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -10.413 -1.081 -0.167 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -11.125 -1.016 2.001 1.00 0.00 N ATOM 0 H ARG A 69 -5.796 -6.917 -1.394 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.472 -5.388 1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.922 -4.652 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.943 -6.037 -0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.569 -5.169 1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.344 -3.919 1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.524 -2.866 -0.334 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.745 -4.122 -0.276 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.850 -3.108 2.276 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.878 -1.535 -0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.912 -0.212 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.145 -1.415 2.940 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.622 -0.147 1.805 1.00 0.00 H new ATOM 1085 N PHE A 70 -6.698 -7.007 2.676 1.00 0.00 N ATOM 1086 CA PHE A 70 -6.993 -8.043 3.679 1.00 0.00 C ATOM 1087 C PHE A 70 -8.491 -8.134 3.943 1.00 0.00 C ATOM 1088 O PHE A 70 -9.278 -7.390 3.369 1.00 0.00 O ATOM 1089 CB PHE A 70 -6.202 -7.757 4.984 1.00 0.00 C ATOM 1090 CG PHE A 70 -4.723 -8.101 4.903 1.00 0.00 C ATOM 1091 CD1 PHE A 70 -3.928 -7.617 3.864 1.00 0.00 C ATOM 1092 CD2 PHE A 70 -4.130 -8.912 5.863 1.00 0.00 C ATOM 1093 CE1 PHE A 70 -2.594 -7.941 3.784 1.00 0.00 C ATOM 1094 CE2 PHE A 70 -2.798 -9.229 5.784 1.00 0.00 C ATOM 1095 CZ PHE A 70 -2.030 -8.743 4.743 1.00 0.00 C ATOM 0 H PHE A 70 -6.712 -6.059 3.053 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.674 -9.010 3.291 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.305 -6.701 5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.651 -8.323 5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.367 -6.978 3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.724 -9.296 6.679 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.993 -7.565 2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.348 -9.860 6.537 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.982 -8.996 4.684 1.00 0.00 H new ATOM 1105 N GLU A 71 -8.864 -9.103 4.777 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.245 -9.360 5.202 1.00 0.00 C ATOM 1107 C GLU A 71 -10.233 -9.829 6.657 1.00 0.00 C ATOM 1108 O GLU A 71 -9.200 -10.281 7.153 1.00 0.00 O ATOM 1109 CB GLU A 71 -10.891 -10.445 4.311 1.00 0.00 C ATOM 1110 CG GLU A 71 -10.140 -11.795 4.314 1.00 0.00 C ATOM 1111 CD GLU A 71 -10.903 -12.896 3.580 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -11.937 -13.339 4.109 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -10.492 -13.312 2.486 1.00 0.00 O ATOM 0 H GLU A 71 -8.195 -9.753 5.190 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.828 -8.444 5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.915 -10.611 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.945 -10.074 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.163 -11.664 3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.963 -12.106 5.344 1.00 0.00 H new ATOM 1120 N THR A 72 -11.377 -9.731 7.329 1.00 0.00 N ATOM 1121 CA THR A 72 -11.524 -10.156 8.721 1.00 0.00 C ATOM 1122 C THR A 72 -12.049 -11.610 8.759 1.00 0.00 C ATOM 1123 O THR A 72 -13.240 -11.845 8.532 1.00 0.00 O ATOM 1124 CB THR A 72 -12.485 -9.188 9.480 1.00 0.00 C ATOM 1125 OG1 THR A 72 -12.066 -7.836 9.242 1.00 0.00 O ATOM 1126 CG2 THR A 72 -12.511 -9.449 10.993 1.00 0.00 C ATOM 0 H THR A 72 -12.233 -9.353 6.923 1.00 0.00 H new ATOM 0 HA THR A 72 -10.556 -10.122 9.220 1.00 0.00 H new ATOM 0 HB THR A 72 -13.493 -9.360 9.103 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.998 -7.360 10.096 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.195 -8.748 11.471 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.847 -10.469 11.181 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.510 -9.316 11.402 1.00 0.00 H new ATOM 1134 N ARG A 73 -11.138 -12.580 8.997 1.00 0.00 N ATOM 1135 CA ARG A 73 -11.466 -14.020 9.018 1.00 0.00 C ATOM 1136 C ARG A 73 -12.352 -14.355 10.235 1.00 0.00 C ATOM 1137 O ARG A 73 -13.425 -14.951 10.095 1.00 0.00 O ATOM 1138 CB ARG A 73 -10.158 -14.868 9.042 1.00 0.00 C ATOM 1139 CG ARG A 73 -9.220 -14.648 7.831 1.00 0.00 C ATOM 1140 CD ARG A 73 -9.885 -15.003 6.484 1.00 0.00 C ATOM 1141 NE ARG A 73 -10.319 -16.413 6.418 1.00 0.00 N ATOM 1142 CZ ARG A 73 -11.289 -16.901 5.619 1.00 0.00 C ATOM 1143 NH1 ARG A 73 -11.984 -16.115 4.811 1.00 0.00 N ATOM 1144 NH2 ARG A 73 -11.558 -18.192 5.646 1.00 0.00 N ATOM 0 H ARG A 73 -10.154 -12.384 9.180 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.023 -14.265 8.113 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.609 -14.638 9.955 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.427 -15.923 9.089 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.901 -13.606 7.809 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.323 -15.253 7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.746 -14.354 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.184 -14.804 5.674 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.843 -17.076 7.030 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.791 -15.114 4.783 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.713 -16.511 4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.034 -18.809 6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.290 -18.573 5.046 1.00 0.00 H new ATOM 1158 N LEU A 74 -11.874 -13.977 11.434 1.00 0.00 N ATOM 1159 CA LEU A 74 -12.633 -14.112 12.695 1.00 0.00 C ATOM 1160 C LEU A 74 -12.796 -12.729 13.342 1.00 0.00 C ATOM 1161 O LEU A 74 -11.984 -11.836 13.093 1.00 0.00 O ATOM 1162 CB LEU A 74 -11.890 -15.079 13.656 1.00 0.00 C ATOM 1163 CG LEU A 74 -11.669 -16.540 13.134 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -10.756 -17.338 14.077 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -13.011 -17.276 12.920 1.00 0.00 C ATOM 0 H LEU A 74 -10.948 -13.568 11.558 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.621 -14.524 12.486 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.917 -14.648 13.890 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.449 -15.130 14.590 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.172 -16.464 12.167 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.623 -18.347 13.687 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.786 -16.845 14.148 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.210 -17.389 15.067 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.818 -18.286 12.558 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.553 -17.326 13.864 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.609 -16.736 12.187 1.00 0.00 H new ATOM 1177 N ALA A 75 -13.829 -12.555 14.181 1.00 0.00 N ATOM 1178 CA ALA A 75 -14.112 -11.263 14.835 1.00 0.00 C ATOM 1179 C ALA A 75 -14.677 -11.473 16.247 1.00 0.00 C ATOM 1180 O ALA A 75 -15.676 -12.184 16.415 1.00 0.00 O ATOM 1181 CB ALA A 75 -15.081 -10.424 13.981 1.00 0.00 C ATOM 0 H ALA A 75 -14.487 -13.296 14.425 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.173 -10.718 14.926 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.277 -9.475 14.480 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.635 -10.235 13.004 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -16.017 -10.967 13.853 1.00 0.00 H new ATOM 1187 N GLY A 76 -14.003 -10.868 17.250 1.00 0.00 N ATOM 1188 CA GLY A 76 -14.491 -10.819 18.636 1.00 0.00 C ATOM 1189 C GLY A 76 -14.572 -12.181 19.313 1.00 0.00 C ATOM 1190 O GLY A 76 -15.405 -12.400 20.203 1.00 0.00 O ATOM 0 H GLY A 76 -13.106 -10.401 17.116 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.834 -10.173 19.219 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.480 -10.360 18.646 1.00 0.00 H new ATOM 1194 N VAL A 77 -13.683 -13.088 18.903 1.00 0.00 N ATOM 1195 CA VAL A 77 -13.635 -14.471 19.399 1.00 0.00 C ATOM 1196 C VAL A 77 -12.382 -14.681 20.257 1.00 0.00 C ATOM 1197 O VAL A 77 -11.414 -13.928 20.154 1.00 0.00 O ATOM 1198 CB VAL A 77 -13.662 -15.499 18.208 1.00 0.00 C ATOM 1199 CG1 VAL A 77 -14.990 -15.388 17.420 1.00 0.00 C ATOM 1200 CG2 VAL A 77 -12.439 -15.309 17.277 1.00 0.00 C ATOM 0 H VAL A 77 -12.965 -12.883 18.208 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.518 -14.644 20.014 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.602 -16.504 18.627 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -14.988 -16.107 16.601 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.827 -15.598 18.086 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -15.091 -14.380 17.018 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.485 -16.033 16.464 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.448 -14.300 16.865 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.522 -15.460 17.846 1.00 0.00 H new ATOM 1210 N GLU A 78 -12.420 -15.708 21.104 1.00 0.00 N ATOM 1211 CA GLU A 78 -11.318 -16.033 22.024 1.00 0.00 C ATOM 1212 C GLU A 78 -10.104 -16.621 21.262 1.00 0.00 C ATOM 1213 O GLU A 78 -10.225 -17.043 20.100 1.00 0.00 O ATOM 1214 CB GLU A 78 -11.822 -17.009 23.121 1.00 0.00 C ATOM 1215 CG GLU A 78 -12.315 -18.366 22.592 1.00 0.00 C ATOM 1216 CD GLU A 78 -12.863 -19.269 23.707 1.00 0.00 C ATOM 1217 OE1 GLU A 78 -12.060 -19.907 24.427 1.00 0.00 O ATOM 1218 OE2 GLU A 78 -14.094 -19.311 23.901 1.00 0.00 O ATOM 0 H GLU A 78 -13.215 -16.343 21.176 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.980 -15.114 22.503 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.015 -17.183 23.833 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.634 -16.531 23.669 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.094 -18.201 21.847 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.494 -18.875 22.087 1.00 0.00 H new ATOM 1225 N GLY A 79 -8.955 -16.680 21.961 1.00 0.00 N ATOM 1226 CA GLY A 79 -7.689 -17.142 21.387 1.00 0.00 C ATOM 1227 C GLY A 79 -7.693 -18.604 20.959 1.00 0.00 C ATOM 1228 O GLY A 79 -6.860 -19.022 20.139 1.00 0.00 O ATOM 0 H GLY A 79 -8.884 -16.407 22.941 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.448 -16.523 20.523 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.895 -16.992 22.119 1.00 0.00 H new ATOM 1232 N GLU A 80 -8.633 -19.376 21.534 1.00 0.00 N ATOM 1233 CA GLU A 80 -8.906 -20.770 21.146 1.00 0.00 C ATOM 1234 C GLU A 80 -9.275 -20.840 19.655 1.00 0.00 C ATOM 1235 O GLU A 80 -8.701 -21.625 18.905 1.00 0.00 O ATOM 1236 CB GLU A 80 -10.070 -21.334 22.007 1.00 0.00 C ATOM 1237 CG GLU A 80 -10.465 -22.802 21.735 1.00 0.00 C ATOM 1238 CD GLU A 80 -9.364 -23.820 22.082 1.00 0.00 C ATOM 1239 OE1 GLU A 80 -8.996 -23.923 23.270 1.00 0.00 O ATOM 1240 OE2 GLU A 80 -8.868 -24.526 21.182 1.00 0.00 O ATOM 0 H GLU A 80 -9.231 -19.044 22.291 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.011 -21.369 21.315 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.796 -21.241 23.058 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.948 -20.707 21.850 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.360 -23.040 22.310 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.726 -22.908 20.682 1.00 0.00 H new ATOM 1247 N GLU A 81 -10.203 -19.960 19.246 1.00 0.00 N ATOM 1248 CA GLU A 81 -10.718 -19.899 17.869 1.00 0.00 C ATOM 1249 C GLU A 81 -9.663 -19.364 16.885 1.00 0.00 C ATOM 1250 O GLU A 81 -9.595 -19.815 15.732 1.00 0.00 O ATOM 1251 CB GLU A 81 -11.999 -19.035 17.833 1.00 0.00 C ATOM 1252 CG GLU A 81 -13.123 -19.531 18.774 1.00 0.00 C ATOM 1253 CD GLU A 81 -13.570 -20.979 18.485 1.00 0.00 C ATOM 1254 OE1 GLU A 81 -14.440 -21.180 17.606 1.00 0.00 O ATOM 1255 OE2 GLU A 81 -13.041 -21.927 19.116 1.00 0.00 O ATOM 0 H GLU A 81 -10.620 -19.266 19.866 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.960 -20.912 17.549 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.741 -18.011 18.101 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.379 -19.011 16.812 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.779 -19.464 19.806 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.983 -18.868 18.681 1.00 0.00 H new ATOM 1262 N ILE A 82 -8.830 -18.422 17.360 1.00 0.00 N ATOM 1263 CA ILE A 82 -7.755 -17.822 16.549 1.00 0.00 C ATOM 1264 C ILE A 82 -6.707 -18.891 16.190 1.00 0.00 C ATOM 1265 O ILE A 82 -6.402 -19.105 15.016 1.00 0.00 O ATOM 1266 CB ILE A 82 -7.075 -16.614 17.294 1.00 0.00 C ATOM 1267 CG1 ILE A 82 -8.140 -15.568 17.753 1.00 0.00 C ATOM 1268 CG2 ILE A 82 -6.002 -15.944 16.408 1.00 0.00 C ATOM 1269 CD1 ILE A 82 -8.912 -14.896 16.627 1.00 0.00 C ATOM 0 H ILE A 82 -8.882 -18.057 18.311 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.200 -17.435 15.632 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.581 -17.010 18.181 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.851 -16.063 18.415 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.640 -14.798 18.340 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.550 -15.113 16.950 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.233 -16.673 16.154 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.465 -15.572 15.494 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.626 -14.188 17.047 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -8.217 -14.367 15.975 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -9.446 -15.651 16.051 1.00 0.00 H new ATOM 1281 N ALA A 83 -6.213 -19.589 17.221 1.00 0.00 N ATOM 1282 CA ALA A 83 -5.242 -20.689 17.063 1.00 0.00 C ATOM 1283 C ALA A 83 -5.861 -21.878 16.315 1.00 0.00 C ATOM 1284 O ALA A 83 -5.154 -22.612 15.611 1.00 0.00 O ATOM 1285 CB ALA A 83 -4.724 -21.135 18.432 1.00 0.00 C ATOM 0 H ALA A 83 -6.473 -19.410 18.191 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.407 -20.318 16.469 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.008 -21.947 18.303 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.236 -20.296 18.927 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.559 -21.480 19.042 1.00 0.00 H new ATOM 1291 N ALA A 84 -7.192 -22.040 16.466 1.00 0.00 N ATOM 1292 CA ALA A 84 -7.953 -23.108 15.795 1.00 0.00 C ATOM 1293 C ALA A 84 -7.870 -22.971 14.277 1.00 0.00 C ATOM 1294 O ALA A 84 -7.778 -23.971 13.577 1.00 0.00 O ATOM 1295 CB ALA A 84 -9.420 -23.112 16.240 1.00 0.00 C ATOM 0 H ALA A 84 -7.765 -21.435 17.055 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.502 -24.057 16.086 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.954 -23.912 15.727 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.473 -23.273 17.317 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.878 -22.154 15.994 1.00 0.00 H new ATOM 1301 N LEU A 85 -7.923 -21.722 13.772 1.00 0.00 N ATOM 1302 CA LEU A 85 -7.775 -21.459 12.334 1.00 0.00 C ATOM 1303 C LEU A 85 -6.299 -21.452 11.912 1.00 0.00 C ATOM 1304 O LEU A 85 -5.947 -22.000 10.862 1.00 0.00 O ATOM 1305 CB LEU A 85 -8.395 -20.117 11.908 1.00 0.00 C ATOM 1306 CG LEU A 85 -8.366 -19.881 10.349 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -9.758 -19.976 9.739 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -7.612 -18.593 9.957 1.00 0.00 C ATOM 0 H LEU A 85 -8.067 -20.886 14.339 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.307 -22.270 11.838 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.427 -20.076 12.255 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.860 -19.305 12.401 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.786 -20.694 9.913 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.696 -19.808 8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.171 -20.967 9.928 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.404 -19.222 10.188 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.623 -18.481 8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.099 -17.732 10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.581 -18.655 10.305 1.00 0.00 H new ATOM 1320 N LEU A 86 -5.449 -20.794 12.725 1.00 0.00 N ATOM 1321 CA LEU A 86 -4.010 -20.626 12.418 1.00 0.00 C ATOM 1322 C LEU A 86 -3.313 -21.983 12.251 1.00 0.00 C ATOM 1323 O LEU A 86 -2.338 -22.085 11.498 1.00 0.00 O ATOM 1324 CB LEU A 86 -3.293 -19.758 13.492 1.00 0.00 C ATOM 1325 CG LEU A 86 -3.690 -18.248 13.511 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -2.985 -17.498 14.653 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -3.414 -17.579 12.147 1.00 0.00 C ATOM 0 H LEU A 86 -5.735 -20.367 13.606 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.942 -20.096 11.468 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.500 -20.182 14.474 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.217 -19.831 13.334 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.763 -18.193 13.695 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.283 -16.450 14.638 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.266 -17.942 15.608 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.905 -17.570 14.524 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.701 -16.528 12.192 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.352 -17.655 11.912 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.994 -18.080 11.372 1.00 0.00 H new ATOM 1339 N GLU A 87 -3.843 -23.020 12.933 1.00 0.00 N ATOM 1340 CA GLU A 87 -3.331 -24.398 12.816 1.00 0.00 C ATOM 1341 C GLU A 87 -3.752 -25.004 11.461 1.00 0.00 C ATOM 1342 O GLU A 87 -2.980 -25.741 10.841 1.00 0.00 O ATOM 1343 CB GLU A 87 -3.789 -25.279 14.029 1.00 0.00 C ATOM 1344 CG GLU A 87 -5.221 -25.884 13.960 1.00 0.00 C ATOM 1345 CD GLU A 87 -5.263 -27.347 13.457 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -4.951 -28.265 14.243 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -5.594 -27.584 12.277 1.00 0.00 O ATOM 0 H GLU A 87 -4.631 -22.926 13.574 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.242 -24.374 12.846 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.079 -26.099 14.139 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.720 -24.674 14.933 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.672 -25.838 14.951 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.834 -25.267 13.303 1.00 0.00 H new ATOM 1354 N ARG A 88 -4.977 -24.654 10.998 1.00 0.00 N ATOM 1355 CA ARG A 88 -5.557 -25.198 9.757 1.00 0.00 C ATOM 1356 C ARG A 88 -4.890 -24.577 8.520 1.00 0.00 C ATOM 1357 O ARG A 88 -4.704 -25.242 7.493 1.00 0.00 O ATOM 1358 CB ARG A 88 -7.085 -24.941 9.723 1.00 0.00 C ATOM 1359 CG ARG A 88 -7.839 -25.546 10.917 1.00 0.00 C ATOM 1360 CD ARG A 88 -9.351 -25.289 10.890 1.00 0.00 C ATOM 1361 NE ARG A 88 -10.029 -26.045 9.826 1.00 0.00 N ATOM 1362 CZ ARG A 88 -11.348 -26.038 9.606 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -12.148 -25.231 10.296 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -11.851 -26.828 8.678 1.00 0.00 N ATOM 0 H ARG A 88 -5.585 -23.989 11.476 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.376 -26.273 9.740 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.263 -23.866 9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.493 -25.353 8.800 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.663 -26.622 10.938 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.427 -25.137 11.840 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.780 -25.560 11.855 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.533 -24.224 10.748 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.450 -26.617 9.211 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.757 -24.608 11.003 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.152 -25.235 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.236 -27.436 8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.856 -26.832 8.501 1.00 0.00 H new ATOM 1378 N GLU A 89 -4.546 -23.284 8.638 1.00 0.00 N ATOM 1379 CA GLU A 89 -3.914 -22.518 7.558 1.00 0.00 C ATOM 1380 C GLU A 89 -2.452 -22.913 7.383 1.00 0.00 C ATOM 1381 O GLU A 89 -2.005 -23.106 6.256 1.00 0.00 O ATOM 1382 CB GLU A 89 -4.055 -20.997 7.806 1.00 0.00 C ATOM 1383 CG GLU A 89 -5.508 -20.502 7.796 1.00 0.00 C ATOM 1384 CD GLU A 89 -6.280 -20.904 6.525 1.00 0.00 C ATOM 1385 OE1 GLU A 89 -6.046 -20.299 5.456 1.00 0.00 O ATOM 1386 OE2 GLU A 89 -7.130 -21.820 6.590 1.00 0.00 O ATOM 0 H GLU A 89 -4.700 -22.742 9.488 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.433 -22.757 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.603 -20.751 8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.492 -20.460 7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.026 -20.900 8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.515 -19.416 7.889 1.00 0.00 H new ATOM 1393 N ARG A 90 -1.715 -23.037 8.505 1.00 0.00 N ATOM 1394 CA ARG A 90 -0.299 -23.523 8.473 1.00 0.00 C ATOM 1395 C ARG A 90 -0.212 -24.983 8.000 1.00 0.00 C ATOM 1396 O ARG A 90 0.802 -25.403 7.429 1.00 0.00 O ATOM 1397 CB ARG A 90 0.423 -23.339 9.834 1.00 0.00 C ATOM 1398 CG ARG A 90 -0.095 -24.218 10.984 1.00 0.00 C ATOM 1399 CD ARG A 90 0.591 -23.912 12.322 1.00 0.00 C ATOM 1400 NE ARG A 90 -0.013 -24.653 13.446 1.00 0.00 N ATOM 1401 CZ ARG A 90 0.081 -24.307 14.742 1.00 0.00 C ATOM 1402 NH1 ARG A 90 0.788 -23.245 15.115 1.00 0.00 N ATOM 1403 NH2 ARG A 90 -0.548 -25.029 15.654 1.00 0.00 N ATOM 0 H ARG A 90 -2.061 -22.814 9.438 1.00 0.00 H new ATOM 0 HA ARG A 90 0.222 -22.900 7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.484 -23.544 9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.338 -22.294 10.132 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.170 -24.073 11.090 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.061 -25.267 10.732 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.649 -24.164 12.251 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.531 -22.842 12.522 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.544 -25.495 13.222 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.268 -22.680 14.414 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.850 -22.995 16.102 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.098 -25.840 15.372 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.483 -24.775 16.640 1.00 0.00 H new ATOM 1417 N ARG A 91 -1.282 -25.748 8.272 1.00 0.00 N ATOM 1418 CA ARG A 91 -1.439 -27.132 7.795 1.00 0.00 C ATOM 1419 C ARG A 91 -1.503 -27.168 6.256 1.00 0.00 C ATOM 1420 O ARG A 91 -0.797 -27.951 5.608 1.00 0.00 O ATOM 1421 CB ARG A 91 -2.733 -27.733 8.395 1.00 0.00 C ATOM 1422 CG ARG A 91 -3.011 -29.209 8.049 1.00 0.00 C ATOM 1423 CD ARG A 91 -4.395 -29.669 8.543 1.00 0.00 C ATOM 1424 NE ARG A 91 -4.721 -31.039 8.097 1.00 0.00 N ATOM 1425 CZ ARG A 91 -5.871 -31.410 7.503 1.00 0.00 C ATOM 1426 NH1 ARG A 91 -6.817 -30.514 7.219 1.00 0.00 N ATOM 1427 NH2 ARG A 91 -6.056 -32.676 7.182 1.00 0.00 N ATOM 0 H ARG A 91 -2.068 -25.421 8.833 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.580 -27.721 8.115 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.687 -27.636 9.480 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.579 -27.135 8.057 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.948 -29.346 6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.240 -29.837 8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.422 -29.627 9.632 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.156 -28.979 8.178 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.018 -31.762 8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.675 -29.531 7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.683 -30.812 6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.331 -33.365 7.384 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.924 -32.966 6.732 1.00 0.00 H new ATOM 1441 N PHE A 92 -2.344 -26.289 5.685 1.00 0.00 N ATOM 1442 CA PHE A 92 -2.628 -26.281 4.238 1.00 0.00 C ATOM 1443 C PHE A 92 -1.582 -25.441 3.458 1.00 0.00 C ATOM 1444 O PHE A 92 -1.410 -25.622 2.242 1.00 0.00 O ATOM 1445 CB PHE A 92 -4.072 -25.760 3.983 1.00 0.00 C ATOM 1446 CG PHE A 92 -4.646 -26.199 2.634 1.00 0.00 C ATOM 1447 CD1 PHE A 92 -5.155 -27.491 2.477 1.00 0.00 C ATOM 1448 CD2 PHE A 92 -4.652 -25.350 1.525 1.00 0.00 C ATOM 1449 CE1 PHE A 92 -5.652 -27.916 1.259 1.00 0.00 C ATOM 1450 CE2 PHE A 92 -5.147 -25.781 0.304 1.00 0.00 C ATOM 1451 CZ PHE A 92 -5.648 -27.062 0.172 1.00 0.00 C ATOM 0 H PHE A 92 -2.843 -25.569 6.208 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.556 -27.304 3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.725 -26.115 4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.072 -24.671 4.033 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.160 -28.167 3.319 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.266 -24.346 1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.044 -28.917 1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.141 -25.114 -0.546 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.036 -27.396 -0.779 1.00 0.00 H new ATOM 1461 N ASP A 93 -0.885 -24.542 4.178 1.00 0.00 N ATOM 1462 CA ASP A 93 0.126 -23.625 3.607 1.00 0.00 C ATOM 1463 C ASP A 93 0.933 -23.008 4.759 1.00 0.00 C ATOM 1464 O ASP A 93 0.451 -22.102 5.425 1.00 0.00 O ATOM 1465 CB ASP A 93 -0.548 -22.503 2.757 1.00 0.00 C ATOM 1466 CG ASP A 93 0.457 -21.546 2.078 1.00 0.00 C ATOM 1467 OD1 ASP A 93 0.896 -21.839 0.946 1.00 0.00 O ATOM 1468 OD2 ASP A 93 0.803 -20.491 2.662 1.00 0.00 O ATOM 0 H ASP A 93 -1.008 -24.429 5.184 1.00 0.00 H new ATOM 0 HA ASP A 93 0.786 -24.186 2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.170 -22.965 1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.211 -21.923 3.399 1.00 0.00 H new ATOM 1473 N SER A 94 2.152 -23.514 4.998 1.00 0.00 N ATOM 1474 CA SER A 94 3.028 -23.043 6.094 1.00 0.00 C ATOM 1475 C SER A 94 3.711 -21.697 5.742 1.00 0.00 C ATOM 1476 O SER A 94 4.447 -21.134 6.553 1.00 0.00 O ATOM 1477 CB SER A 94 4.076 -24.138 6.423 1.00 0.00 C ATOM 1478 OG SER A 94 4.815 -23.841 7.604 1.00 0.00 O ATOM 0 H SER A 94 2.563 -24.262 4.439 1.00 0.00 H new ATOM 0 HA SER A 94 2.415 -22.861 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.571 -25.096 6.544 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.763 -24.244 5.584 1.00 0.00 H new ATOM 0 HG SER A 94 5.462 -24.557 7.774 1.00 0.00 H new ATOM 1484 N ASP A 95 3.458 -21.182 4.525 1.00 0.00 N ATOM 1485 CA ASP A 95 4.057 -19.926 4.043 1.00 0.00 C ATOM 1486 C ASP A 95 3.198 -18.696 4.387 1.00 0.00 C ATOM 1487 O ASP A 95 3.434 -17.607 3.841 1.00 0.00 O ATOM 1488 CB ASP A 95 4.325 -20.024 2.523 1.00 0.00 C ATOM 1489 CG ASP A 95 5.485 -20.981 2.198 1.00 0.00 C ATOM 1490 OD1 ASP A 95 5.275 -22.216 2.198 1.00 0.00 O ATOM 1491 OD2 ASP A 95 6.624 -20.509 1.983 1.00 0.00 O ATOM 0 H ASP A 95 2.834 -21.624 3.850 1.00 0.00 H new ATOM 0 HA ASP A 95 5.006 -19.786 4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.422 -20.366 2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.553 -19.033 2.131 1.00 0.00 H new ATOM 1496 N LEU A 96 2.225 -18.857 5.308 1.00 0.00 N ATOM 1497 CA LEU A 96 1.548 -17.700 5.917 1.00 0.00 C ATOM 1498 C LEU A 96 2.462 -17.070 6.981 1.00 0.00 C ATOM 1499 O LEU A 96 3.304 -17.753 7.586 1.00 0.00 O ATOM 1500 CB LEU A 96 0.163 -18.033 6.564 1.00 0.00 C ATOM 1501 CG LEU A 96 0.171 -18.764 7.946 1.00 0.00 C ATOM 1502 CD1 LEU A 96 -1.195 -18.672 8.652 1.00 0.00 C ATOM 1503 CD2 LEU A 96 0.591 -20.216 7.797 1.00 0.00 C ATOM 0 H LEU A 96 1.896 -19.764 5.640 1.00 0.00 H new ATOM 0 HA LEU A 96 1.349 -17.005 5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.388 -17.099 6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.398 -18.649 5.861 1.00 0.00 H new ATOM 0 HG LEU A 96 0.904 -18.253 8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.146 -19.193 9.608 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.447 -17.625 8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.960 -19.133 8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.587 -20.698 8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.106 -20.730 7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.594 -20.263 7.373 1.00 0.00 H new ATOM 1515 N TRP A 97 2.292 -15.764 7.186 1.00 0.00 N ATOM 1516 CA TRP A 97 2.958 -15.029 8.258 1.00 0.00 C ATOM 1517 C TRP A 97 1.921 -14.732 9.334 1.00 0.00 C ATOM 1518 O TRP A 97 0.896 -14.108 9.044 1.00 0.00 O ATOM 1519 CB TRP A 97 3.550 -13.702 7.711 1.00 0.00 C ATOM 1520 CG TRP A 97 4.640 -13.872 6.670 1.00 0.00 C ATOM 1521 CD1 TRP A 97 4.549 -14.514 5.465 1.00 0.00 C ATOM 1522 CD2 TRP A 97 5.964 -13.347 6.740 1.00 0.00 C ATOM 1523 NE1 TRP A 97 5.742 -14.448 4.810 1.00 0.00 N ATOM 1524 CE2 TRP A 97 6.627 -13.737 5.564 1.00 0.00 C ATOM 1525 CE3 TRP A 97 6.649 -12.591 7.687 1.00 0.00 C ATOM 1526 CZ2 TRP A 97 7.949 -13.392 5.312 1.00 0.00 C ATOM 1527 CZ3 TRP A 97 7.965 -12.254 7.447 1.00 0.00 C ATOM 1528 CH2 TRP A 97 8.602 -12.657 6.264 1.00 0.00 C ATOM 0 H TRP A 97 1.684 -15.184 6.608 1.00 0.00 H new ATOM 0 HA TRP A 97 3.776 -15.621 8.670 1.00 0.00 H new ATOM 0 HB2 TRP A 97 2.742 -13.112 7.278 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.951 -13.128 8.546 1.00 0.00 H new ATOM 0 HD1 TRP A 97 3.662 -15.001 5.088 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.941 -14.864 3.900 1.00 0.00 H new ATOM 0 HE3 TRP A 97 6.158 -12.273 8.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 8.443 -13.692 4.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 8.510 -11.674 8.177 1.00 0.00 H new ATOM 0 HH2 TRP A 97 9.633 -12.380 6.100 1.00 0.00 H new ATOM 1539 N VAL A 98 2.189 -15.148 10.575 1.00 0.00 N ATOM 1540 CA VAL A 98 1.301 -14.853 11.700 1.00 0.00 C ATOM 1541 C VAL A 98 1.872 -13.647 12.432 1.00 0.00 C ATOM 1542 O VAL A 98 2.984 -13.708 12.945 1.00 0.00 O ATOM 1543 CB VAL A 98 1.118 -16.072 12.674 1.00 0.00 C ATOM 1544 CG1 VAL A 98 0.225 -15.692 13.881 1.00 0.00 C ATOM 1545 CG2 VAL A 98 0.541 -17.301 11.923 1.00 0.00 C ATOM 0 H VAL A 98 3.016 -15.691 10.825 1.00 0.00 H new ATOM 0 HA VAL A 98 0.303 -14.640 11.317 1.00 0.00 H new ATOM 0 HB VAL A 98 2.102 -16.343 13.058 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.115 -16.555 14.538 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.687 -14.872 14.432 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.757 -15.381 13.524 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.424 -18.131 12.620 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.429 -17.045 11.498 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.222 -17.592 11.123 1.00 0.00 H new ATOM 1555 N VAL A 99 1.120 -12.544 12.435 1.00 0.00 N ATOM 1556 CA VAL A 99 1.535 -11.290 13.092 1.00 0.00 C ATOM 1557 C VAL A 99 0.580 -11.007 14.248 1.00 0.00 C ATOM 1558 O VAL A 99 -0.625 -10.869 14.028 1.00 0.00 O ATOM 1559 CB VAL A 99 1.534 -10.052 12.099 1.00 0.00 C ATOM 1560 CG1 VAL A 99 2.370 -8.872 12.649 1.00 0.00 C ATOM 1561 CG2 VAL A 99 1.999 -10.463 10.680 1.00 0.00 C ATOM 0 H VAL A 99 0.207 -12.489 11.984 1.00 0.00 H new ATOM 0 HA VAL A 99 2.558 -11.420 13.445 1.00 0.00 H new ATOM 0 HB VAL A 99 0.504 -9.706 12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.343 -8.045 11.939 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.955 -8.545 13.602 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.402 -9.193 12.793 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.986 -9.591 10.026 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.011 -10.864 10.731 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.327 -11.224 10.283 1.00 0.00 H new ATOM 1571 N GLU A 100 1.099 -10.941 15.479 1.00 0.00 N ATOM 1572 CA GLU A 100 0.297 -10.538 16.638 1.00 0.00 C ATOM 1573 C GLU A 100 0.332 -9.014 16.764 1.00 0.00 C ATOM 1574 O GLU A 100 1.370 -8.431 17.069 1.00 0.00 O ATOM 1575 CB GLU A 100 0.761 -11.240 17.950 1.00 0.00 C ATOM 1576 CG GLU A 100 2.243 -11.045 18.339 1.00 0.00 C ATOM 1577 CD GLU A 100 2.583 -11.557 19.748 1.00 0.00 C ATOM 1578 OE1 GLU A 100 2.262 -12.722 20.062 1.00 0.00 O ATOM 1579 OE2 GLU A 100 3.186 -10.807 20.546 1.00 0.00 O ATOM 0 H GLU A 100 2.071 -11.162 15.698 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.732 -10.860 16.480 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.141 -10.878 18.770 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.570 -12.309 17.853 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.871 -11.561 17.613 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.489 -9.985 18.278 1.00 0.00 H new ATOM 1586 N ILE A 101 -0.790 -8.372 16.446 1.00 0.00 N ATOM 1587 CA ILE A 101 -1.008 -6.945 16.708 1.00 0.00 C ATOM 1588 C ILE A 101 -1.937 -6.818 17.926 1.00 0.00 C ATOM 1589 O ILE A 101 -2.669 -7.760 18.268 1.00 0.00 O ATOM 1590 CB ILE A 101 -1.589 -6.172 15.452 1.00 0.00 C ATOM 1591 CG1 ILE A 101 -3.013 -6.668 15.073 1.00 0.00 C ATOM 1592 CG2 ILE A 101 -0.634 -6.302 14.236 1.00 0.00 C ATOM 1593 CD1 ILE A 101 -3.707 -5.861 13.992 1.00 0.00 C ATOM 0 H ILE A 101 -1.583 -8.829 15.995 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.047 -6.475 16.917 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.667 -5.121 15.730 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.944 -7.705 14.744 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.635 -6.658 15.968 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.053 -5.764 13.385 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.338 -5.879 14.490 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.516 -7.354 13.977 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.693 -6.284 13.798 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.814 -4.828 14.322 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.113 -5.890 13.078 1.00 0.00 H new ATOM 1605 N GLU A 102 -1.893 -5.671 18.594 1.00 0.00 N ATOM 1606 CA GLU A 102 -2.576 -5.461 19.872 1.00 0.00 C ATOM 1607 C GLU A 102 -3.115 -4.033 19.877 1.00 0.00 C ATOM 1608 O GLU A 102 -2.345 -3.073 19.991 1.00 0.00 O ATOM 1609 CB GLU A 102 -1.583 -5.721 21.047 1.00 0.00 C ATOM 1610 CG GLU A 102 -2.213 -6.006 22.430 1.00 0.00 C ATOM 1611 CD GLU A 102 -3.041 -4.846 23.025 1.00 0.00 C ATOM 1612 OE1 GLU A 102 -2.440 -3.830 23.422 1.00 0.00 O ATOM 1613 OE2 GLU A 102 -4.285 -4.965 23.135 1.00 0.00 O ATOM 0 H GLU A 102 -1.380 -4.853 18.265 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.407 -6.154 20.001 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.951 -6.567 20.779 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.931 -4.853 21.141 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.854 -6.883 22.346 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.416 -6.259 23.130 1.00 0.00 H new ATOM 1620 N THR A 103 -4.436 -3.916 19.747 1.00 0.00 N ATOM 1621 CA THR A 103 -5.128 -2.632 19.575 1.00 0.00 C ATOM 1622 C THR A 103 -6.652 -2.846 19.649 1.00 0.00 C ATOM 1623 O THR A 103 -7.135 -3.978 19.572 1.00 0.00 O ATOM 1624 CB THR A 103 -4.729 -1.932 18.214 1.00 0.00 C ATOM 1625 OG1 THR A 103 -5.506 -0.734 17.996 1.00 0.00 O ATOM 1626 CG2 THR A 103 -4.884 -2.883 17.013 1.00 0.00 C ATOM 0 H THR A 103 -5.066 -4.718 19.758 1.00 0.00 H new ATOM 0 HA THR A 103 -4.819 -1.969 20.383 1.00 0.00 H new ATOM 0 HB THR A 103 -3.677 -1.659 18.297 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.020 -0.824 17.166 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.600 -2.363 16.098 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.240 -3.752 17.151 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.922 -3.208 16.938 1.00 0.00 H new ATOM 1634 N ASP A 104 -7.396 -1.750 19.830 1.00 0.00 N ATOM 1635 CA ASP A 104 -8.873 -1.759 19.886 1.00 0.00 C ATOM 1636 C ASP A 104 -9.482 -1.499 18.491 1.00 0.00 C ATOM 1637 O ASP A 104 -10.579 -1.978 18.174 1.00 0.00 O ATOM 1638 CB ASP A 104 -9.363 -0.695 20.904 1.00 0.00 C ATOM 1639 CG ASP A 104 -8.953 0.749 20.542 1.00 0.00 C ATOM 1640 OD1 ASP A 104 -7.767 1.102 20.735 1.00 0.00 O ATOM 1641 OD2 ASP A 104 -9.801 1.518 20.046 1.00 0.00 O ATOM 0 H ASP A 104 -6.992 -0.820 19.943 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.204 -2.745 20.213 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -10.449 -0.747 20.975 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.967 -0.939 21.890 1.00 0.00 H new ATOM 1646 N GLU A 105 -8.744 -0.744 17.664 1.00 0.00 N ATOM 1647 CA GLU A 105 -9.173 -0.325 16.311 1.00 0.00 C ATOM 1648 C GLU A 105 -8.243 -0.934 15.246 1.00 0.00 C ATOM 1649 O GLU A 105 -7.055 -1.134 15.500 1.00 0.00 O ATOM 1650 CB GLU A 105 -9.178 1.225 16.222 1.00 0.00 C ATOM 1651 CG GLU A 105 -7.827 1.882 16.573 1.00 0.00 C ATOM 1652 CD GLU A 105 -7.828 3.416 16.477 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -8.429 3.966 15.524 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -7.199 4.079 17.330 1.00 0.00 O ATOM 0 H GLU A 105 -7.817 -0.399 17.915 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.184 -0.688 16.124 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.461 1.519 15.211 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.944 1.614 16.893 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.548 1.593 17.586 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.060 1.488 15.906 1.00 0.00 H new ATOM 1661 N ILE A 106 -8.784 -1.214 14.047 1.00 0.00 N ATOM 1662 CA ILE A 106 -8.031 -1.904 12.976 1.00 0.00 C ATOM 1663 C ILE A 106 -7.804 -0.992 11.746 1.00 0.00 C ATOM 1664 O ILE A 106 -6.732 -1.042 11.136 1.00 0.00 O ATOM 1665 CB ILE A 106 -8.755 -3.240 12.551 1.00 0.00 C ATOM 1666 CG1 ILE A 106 -7.880 -4.056 11.546 1.00 0.00 C ATOM 1667 CG2 ILE A 106 -10.175 -2.982 11.983 1.00 0.00 C ATOM 1668 CD1 ILE A 106 -6.529 -4.491 12.090 1.00 0.00 C ATOM 0 H ILE A 106 -9.742 -0.974 13.792 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.051 -2.153 13.382 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.881 -3.838 13.453 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.435 -4.942 11.238 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.720 -3.453 10.652 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.633 -3.931 11.704 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.787 -2.492 12.741 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.104 -2.341 11.104 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.992 -5.051 11.324 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.949 -3.612 12.371 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.676 -5.123 12.966 1.00 0.00 H new ATOM 1680 N GLY A 107 -8.790 -0.124 11.434 1.00 0.00 N ATOM 1681 CA GLY A 107 -8.815 0.617 10.159 1.00 0.00 C ATOM 1682 C GLY A 107 -7.638 1.575 9.968 1.00 0.00 C ATOM 1683 O GLY A 107 -7.197 1.817 8.838 1.00 0.00 O ATOM 0 H GLY A 107 -9.578 0.079 12.049 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.824 -0.098 9.336 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.744 1.184 10.099 1.00 0.00 H new ATOM 1687 N THR A 108 -7.113 2.096 11.088 1.00 0.00 N ATOM 1688 CA THR A 108 -6.018 3.086 11.096 1.00 0.00 C ATOM 1689 C THR A 108 -4.627 2.432 10.905 1.00 0.00 C ATOM 1690 O THR A 108 -3.636 3.145 10.690 1.00 0.00 O ATOM 1691 CB THR A 108 -6.040 3.891 12.439 1.00 0.00 C ATOM 1692 OG1 THR A 108 -5.130 5.004 12.382 1.00 0.00 O ATOM 1693 CG2 THR A 108 -5.685 3.002 13.649 1.00 0.00 C ATOM 0 H THR A 108 -7.437 1.842 12.021 1.00 0.00 H new ATOM 0 HA THR A 108 -6.183 3.756 10.252 1.00 0.00 H new ATOM 0 HB THR A 108 -7.058 4.259 12.570 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.391 4.792 11.774 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.712 3.600 14.560 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.407 2.189 13.727 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.685 2.588 13.516 1.00 0.00 H new ATOM 1701 N LEU A 109 -4.551 1.082 10.986 1.00 0.00 N ATOM 1702 CA LEU A 109 -3.258 0.350 11.002 1.00 0.00 C ATOM 1703 C LEU A 109 -3.266 -0.933 10.129 1.00 0.00 C ATOM 1704 O LEU A 109 -2.243 -1.611 10.042 1.00 0.00 O ATOM 1705 CB LEU A 109 -2.840 0.071 12.485 1.00 0.00 C ATOM 1706 CG LEU A 109 -3.950 -0.493 13.452 1.00 0.00 C ATOM 1707 CD1 LEU A 109 -4.088 -2.025 13.366 1.00 0.00 C ATOM 1708 CD2 LEU A 109 -3.710 -0.038 14.912 1.00 0.00 C ATOM 0 H LEU A 109 -5.370 0.476 11.041 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.503 0.985 10.538 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.010 -0.635 12.475 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.462 1.001 12.910 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.897 -0.071 13.115 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.866 -2.359 14.052 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.355 -2.310 12.348 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.141 -2.491 13.636 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.493 -0.444 15.553 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.739 -0.400 15.251 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.729 1.051 14.962 1.00 0.00 H new ATOM 1720 N LEU A 110 -4.409 -1.237 9.487 1.00 0.00 N ATOM 1721 CA LEU A 110 -4.551 -2.352 8.518 1.00 0.00 C ATOM 1722 C LEU A 110 -5.839 -2.144 7.700 1.00 0.00 C ATOM 1723 O LEU A 110 -6.876 -1.747 8.249 1.00 0.00 O ATOM 1724 CB LEU A 110 -4.576 -3.736 9.234 1.00 0.00 C ATOM 1725 CG LEU A 110 -4.768 -5.006 8.330 1.00 0.00 C ATOM 1726 CD1 LEU A 110 -3.672 -5.115 7.254 1.00 0.00 C ATOM 1727 CD2 LEU A 110 -4.847 -6.298 9.178 1.00 0.00 C ATOM 0 H LEU A 110 -5.273 -0.712 9.625 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.687 -2.350 7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.641 -3.850 9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.379 -3.721 9.971 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.720 -4.888 7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.842 -6.007 6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.701 -4.233 6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.696 -5.182 7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.980 -7.157 8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.925 -6.416 9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.692 -6.232 9.864 1.00 0.00 H new ATOM 1739 N THR A 111 -5.757 -2.411 6.385 1.00 0.00 N ATOM 1740 CA THR A 111 -6.863 -2.189 5.436 1.00 0.00 C ATOM 1741 C THR A 111 -7.609 -3.512 5.130 1.00 0.00 C ATOM 1742 O THR A 111 -6.980 -4.530 4.819 1.00 0.00 O ATOM 1743 CB THR A 111 -6.335 -1.556 4.112 1.00 0.00 C ATOM 1744 OG1 THR A 111 -5.637 -0.335 4.401 1.00 0.00 O ATOM 1745 CG2 THR A 111 -7.481 -1.272 3.133 1.00 0.00 C ATOM 0 H THR A 111 -4.917 -2.789 5.948 1.00 0.00 H new ATOM 0 HA THR A 111 -7.565 -1.497 5.901 1.00 0.00 H new ATOM 0 HB THR A 111 -5.656 -2.269 3.645 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.306 0.058 3.567 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.079 -0.831 2.221 1.00 0.00 H new ATOM 0 HG22 THR A 111 -7.992 -2.204 2.891 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.187 -0.579 3.590 1.00 0.00 H new ATOM 1753 N LEU A 112 -8.961 -3.472 5.194 1.00 0.00 N ATOM 1754 CA LEU A 112 -9.832 -4.663 5.033 1.00 0.00 C ATOM 1755 C LEU A 112 -10.951 -4.397 4.013 1.00 0.00 C ATOM 1756 O LEU A 112 -11.402 -3.260 3.866 1.00 0.00 O ATOM 1757 CB LEU A 112 -10.453 -5.045 6.400 1.00 0.00 C ATOM 1758 CG LEU A 112 -9.429 -5.257 7.561 1.00 0.00 C ATOM 1759 CD1 LEU A 112 -10.118 -5.238 8.914 1.00 0.00 C ATOM 1760 CD2 LEU A 112 -8.603 -6.543 7.369 1.00 0.00 C ATOM 0 H LEU A 112 -9.481 -2.610 5.359 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.220 -5.486 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.154 -4.263 6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.031 -5.961 6.275 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.731 -4.420 7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.379 -5.388 9.701 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.611 -4.277 9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.860 -6.036 8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.903 -6.653 8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.271 -7.404 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.049 -6.483 6.432 1.00 0.00 H new ATOM 1772 N VAL A 113 -11.358 -5.453 3.296 1.00 0.00 N ATOM 1773 CA VAL A 113 -12.554 -5.457 2.430 1.00 0.00 C ATOM 1774 C VAL A 113 -13.819 -5.688 3.285 1.00 0.00 C ATOM 1775 O VAL A 113 -14.918 -5.260 2.919 1.00 0.00 O ATOM 1776 CB VAL A 113 -12.475 -6.585 1.314 1.00 0.00 C ATOM 1777 CG1 VAL A 113 -11.356 -6.304 0.289 1.00 0.00 C ATOM 1778 CG2 VAL A 113 -12.281 -7.995 1.934 1.00 0.00 C ATOM 0 H VAL A 113 -10.861 -6.344 3.298 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.600 -4.487 1.935 1.00 0.00 H new ATOM 0 HB VAL A 113 -13.431 -6.566 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.337 -7.099 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.545 -5.350 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.395 -6.264 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -12.232 -8.739 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.355 -8.016 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -13.120 -8.222 2.591 1.00 0.00 H new ATOM 1788 N ASP A 114 -13.631 -6.373 4.432 1.00 0.00 N ATOM 1789 CA ASP A 114 -14.723 -6.846 5.295 1.00 0.00 C ATOM 1790 C ASP A 114 -15.204 -5.719 6.231 1.00 0.00 C ATOM 1791 O ASP A 114 -16.342 -5.252 6.110 1.00 0.00 O ATOM 1792 CB ASP A 114 -14.248 -8.078 6.106 1.00 0.00 C ATOM 1793 CG ASP A 114 -15.378 -8.716 6.933 1.00 0.00 C ATOM 1794 OD1 ASP A 114 -16.154 -9.514 6.374 1.00 0.00 O ATOM 1795 OD2 ASP A 114 -15.507 -8.404 8.134 1.00 0.00 O ATOM 0 H ASP A 114 -12.705 -6.614 4.785 1.00 0.00 H new ATOM 0 HA ASP A 114 -15.568 -7.141 4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -13.839 -8.822 5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -13.439 -7.779 6.773 1.00 0.00 H new ATOM 1800 N GLN A 115 -14.333 -5.305 7.176 1.00 0.00 N ATOM 1801 CA GLN A 115 -14.599 -4.154 8.062 1.00 0.00 C ATOM 1802 C GLN A 115 -14.604 -2.833 7.245 1.00 0.00 C ATOM 1803 O GLN A 115 -13.874 -2.730 6.243 1.00 0.00 O ATOM 1804 CB GLN A 115 -13.540 -4.084 9.203 1.00 0.00 C ATOM 1805 CG GLN A 115 -13.642 -5.200 10.267 1.00 0.00 C ATOM 1806 CD GLN A 115 -14.895 -5.097 11.138 1.00 0.00 C ATOM 1807 OE1 GLN A 115 -15.934 -5.684 10.837 1.00 0.00 O ATOM 1808 NE2 GLN A 115 -14.808 -4.330 12.216 1.00 0.00 N ATOM 0 H GLN A 115 -13.434 -5.755 7.345 1.00 0.00 H new ATOM 0 HA GLN A 115 -15.582 -4.287 8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.546 -4.120 8.757 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -13.631 -3.119 9.702 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.634 -6.169 9.768 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.760 -5.164 10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -13.931 -3.858 12.436 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.618 -4.212 12.825 1.00 0.00 H new