USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 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 49 ASN : amide:sc=-0.00118 K(o=-6,f=-8.8) USER MOD Set 1.2: A 52 MET CE :methyl -158:sc= -5.99! (180deg=-6.93!) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= -0.0215 USER MOD Set 2.2: A 29 SER OG : rot -102:sc= 0.211 USER MOD Single : A 5 THR OG1 : rot -10:sc= -0.284 USER MOD Single : A 8 GLN : amide:sc= -0.982 X(o=-0.98,f=-0.48) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.12! K(o=-2.1!,f=-1.3) USER MOD Single : A 24 ASN : amide:sc= -10.8! C(o=-11!,f=-10!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00461 USER MOD Single : A 34 THR OG1 : rot 6:sc= -0.173 USER MOD Single : A 44 SER OG : rot 30:sc= 0.875 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -4.01! C(o=-4!,f=-11!) USER MOD Single : A 61 HIS : no HD1:sc= -1.61! C(o=-1.6!,f=-2.2!) USER MOD Single : A 62 GLN : amide:sc=-0.00878 X(o=-0.0088,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -109:sc= -2.9 (180deg=-7.55!) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -15.469 0.935 -18.469 1.00 0.00 N ATOM 40 CA LEU A 4 -15.433 -0.485 -18.022 1.00 0.00 C ATOM 41 C LEU A 4 -15.866 -0.589 -16.556 1.00 0.00 C ATOM 42 O LEU A 4 -16.232 -1.646 -16.085 1.00 0.00 O ATOM 43 CB LEU A 4 -13.976 -0.910 -18.201 1.00 0.00 C ATOM 44 CG LEU A 4 -13.809 -1.607 -19.551 1.00 0.00 C ATOM 45 CD1 LEU A 4 -14.485 -0.775 -20.643 1.00 0.00 C ATOM 46 CD2 LEU A 4 -12.319 -1.745 -19.867 1.00 0.00 C ATOM 0 HA LEU A 4 -16.112 -1.123 -18.588 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.323 -0.039 -18.146 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.680 -1.581 -17.395 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.269 -2.595 -19.511 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.366 -1.272 -21.606 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.546 -0.672 -20.417 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -14.025 0.212 -20.685 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.196 -2.242 -20.829 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.863 -0.756 -19.908 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.835 -2.336 -19.089 1.00 0.00 H new ATOM 58 N THR A 5 -15.836 0.505 -15.838 1.00 0.00 N ATOM 59 CA THR A 5 -16.261 0.489 -14.404 1.00 0.00 C ATOM 60 C THR A 5 -15.835 -0.819 -13.722 1.00 0.00 C ATOM 61 O THR A 5 -14.685 -1.198 -13.780 1.00 0.00 O ATOM 62 CB THR A 5 -17.786 0.611 -14.452 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.345 -0.632 -14.856 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.184 1.700 -15.449 1.00 0.00 C ATOM 0 H THR A 5 -15.533 1.415 -16.186 1.00 0.00 H new ATOM 0 HA THR A 5 -15.802 1.293 -13.828 1.00 0.00 H new ATOM 0 HB THR A 5 -18.161 0.875 -13.463 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.631 -1.225 -15.170 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.270 1.785 -15.481 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.755 2.652 -15.138 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.811 1.440 -16.440 1.00 0.00 H new ATOM 72 N GLU A 6 -16.746 -1.508 -13.075 1.00 0.00 N ATOM 73 CA GLU A 6 -16.378 -2.787 -12.394 1.00 0.00 C ATOM 74 C GLU A 6 -15.369 -3.563 -13.240 1.00 0.00 C ATOM 75 O GLU A 6 -14.532 -4.279 -12.728 1.00 0.00 O ATOM 76 CB GLU A 6 -17.685 -3.566 -12.274 1.00 0.00 C ATOM 77 CG GLU A 6 -18.113 -4.065 -13.656 1.00 0.00 C ATOM 78 CD GLU A 6 -19.439 -4.817 -13.540 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.375 -4.249 -13.003 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.498 -5.950 -13.991 1.00 0.00 O ATOM 0 H GLU A 6 -17.726 -1.239 -12.990 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.916 -2.617 -11.422 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.557 -4.409 -11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.462 -2.930 -11.849 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.219 -3.224 -14.341 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.347 -4.720 -14.071 1.00 0.00 H new ATOM 87 N GLU A 7 -15.430 -3.406 -14.533 1.00 0.00 N ATOM 88 CA GLU A 7 -14.461 -4.114 -15.412 1.00 0.00 C ATOM 89 C GLU A 7 -13.105 -3.419 -15.310 1.00 0.00 C ATOM 90 O GLU A 7 -12.079 -4.054 -15.160 1.00 0.00 O ATOM 91 CB GLU A 7 -15.032 -3.990 -16.826 1.00 0.00 C ATOM 92 CG GLU A 7 -15.021 -5.362 -17.503 1.00 0.00 C ATOM 93 CD GLU A 7 -14.172 -5.298 -18.774 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.601 -4.655 -19.717 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.106 -5.891 -18.781 1.00 0.00 O ATOM 0 H GLU A 7 -16.109 -2.819 -15.018 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.320 -5.159 -15.137 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.049 -3.601 -16.786 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.442 -3.281 -17.407 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.619 -6.112 -16.822 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.039 -5.667 -17.748 1.00 0.00 H new ATOM 102 N GLN A 8 -13.095 -2.113 -15.364 1.00 0.00 N ATOM 103 CA GLN A 8 -11.804 -1.379 -15.243 1.00 0.00 C ATOM 104 C GLN A 8 -11.311 -1.470 -13.796 1.00 0.00 C ATOM 105 O GLN A 8 -10.167 -1.781 -13.538 1.00 0.00 O ATOM 106 CB GLN A 8 -12.115 0.072 -15.650 1.00 0.00 C ATOM 107 CG GLN A 8 -12.585 0.889 -14.441 1.00 0.00 C ATOM 108 CD GLN A 8 -12.720 2.359 -14.842 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.418 3.243 -14.067 1.00 0.00 O ATOM 110 NE2 GLN A 8 -13.166 2.660 -16.032 1.00 0.00 N ATOM 0 H GLN A 8 -13.921 -1.527 -15.486 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.017 -1.791 -15.875 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.226 0.532 -16.081 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.885 0.081 -16.422 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.541 0.509 -14.081 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.874 0.788 -13.621 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.420 1.918 -16.684 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.260 3.637 -16.309 1.00 0.00 H new ATOM 119 N ILE A 9 -12.178 -1.215 -12.853 1.00 0.00 N ATOM 120 CA ILE A 9 -11.778 -1.300 -11.424 1.00 0.00 C ATOM 121 C ILE A 9 -11.167 -2.670 -11.139 1.00 0.00 C ATOM 122 O ILE A 9 -10.003 -2.783 -10.812 1.00 0.00 O ATOM 123 CB ILE A 9 -13.076 -1.127 -10.639 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.671 0.252 -10.936 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.785 -1.249 -9.144 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.191 0.195 -10.783 1.00 0.00 C ATOM 0 H ILE A 9 -13.150 -0.951 -13.015 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.035 -0.549 -11.155 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.787 -1.899 -10.934 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.254 0.994 -10.255 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.408 0.563 -11.947 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.711 -1.126 -8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.361 -2.231 -8.935 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.075 -0.477 -8.847 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.615 1.177 -10.994 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.600 -0.535 -11.482 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.443 -0.097 -9.764 1.00 0.00 H new ATOM 138 N ALA A 10 -11.939 -3.716 -11.267 1.00 0.00 N ATOM 139 CA ALA A 10 -11.388 -5.078 -11.008 1.00 0.00 C ATOM 140 C ALA A 10 -10.005 -5.203 -11.650 1.00 0.00 C ATOM 141 O ALA A 10 -9.052 -5.633 -11.026 1.00 0.00 O ATOM 142 CB ALA A 10 -12.379 -6.040 -11.664 1.00 0.00 C ATOM 0 H ALA A 10 -12.922 -3.687 -11.538 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.270 -5.288 -9.945 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.042 -7.066 -11.516 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.363 -5.913 -11.212 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.440 -5.828 -12.731 1.00 0.00 H new ATOM 148 N GLU A 11 -9.889 -4.816 -12.891 1.00 0.00 N ATOM 149 CA GLU A 11 -8.567 -4.898 -13.574 1.00 0.00 C ATOM 150 C GLU A 11 -7.563 -4.004 -12.845 1.00 0.00 C ATOM 151 O GLU A 11 -6.415 -4.357 -12.664 1.00 0.00 O ATOM 152 CB GLU A 11 -8.819 -4.383 -14.991 1.00 0.00 C ATOM 153 CG GLU A 11 -7.817 -5.026 -15.954 1.00 0.00 C ATOM 154 CD GLU A 11 -7.474 -4.036 -17.069 1.00 0.00 C ATOM 155 OE1 GLU A 11 -7.172 -2.898 -16.751 1.00 0.00 O ATOM 156 OE2 GLU A 11 -7.518 -4.434 -18.221 1.00 0.00 O ATOM 0 H GLU A 11 -10.651 -4.447 -13.460 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.158 -5.908 -13.582 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.838 -4.618 -15.299 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.720 -3.298 -15.018 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.913 -5.313 -15.417 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.238 -5.937 -16.379 1.00 0.00 H new ATOM 163 N PHE A 12 -7.995 -2.849 -12.418 1.00 0.00 N ATOM 164 CA PHE A 12 -7.079 -1.930 -11.691 1.00 0.00 C ATOM 165 C PHE A 12 -6.654 -2.570 -10.366 1.00 0.00 C ATOM 166 O PHE A 12 -5.482 -2.653 -10.056 1.00 0.00 O ATOM 167 CB PHE A 12 -7.905 -0.665 -11.446 1.00 0.00 C ATOM 168 CG PHE A 12 -8.059 0.086 -12.747 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.950 0.269 -13.581 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.307 0.601 -13.122 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.087 0.965 -14.787 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.443 1.296 -14.329 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.333 1.478 -15.161 1.00 0.00 C ATOM 0 H PHE A 12 -8.946 -2.503 -12.543 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.167 -1.713 -12.248 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.884 -0.927 -11.045 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.415 -0.034 -10.704 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.987 -0.127 -13.293 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.164 0.462 -12.480 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.230 1.106 -15.429 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.405 1.692 -14.618 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.438 2.015 -16.092 1.00 0.00 H new ATOM 183 N LYS A 13 -7.598 -3.032 -9.593 1.00 0.00 N ATOM 184 CA LYS A 13 -7.251 -3.680 -8.295 1.00 0.00 C ATOM 185 C LYS A 13 -6.048 -4.599 -8.491 1.00 0.00 C ATOM 186 O LYS A 13 -5.037 -4.463 -7.830 1.00 0.00 O ATOM 187 CB LYS A 13 -8.490 -4.490 -7.910 1.00 0.00 C ATOM 188 CG LYS A 13 -9.474 -3.591 -7.159 1.00 0.00 C ATOM 189 CD LYS A 13 -10.383 -4.452 -6.278 1.00 0.00 C ATOM 190 CE LYS A 13 -11.818 -3.926 -6.357 1.00 0.00 C ATOM 191 NZ LYS A 13 -12.436 -4.303 -5.055 1.00 0.00 N ATOM 0 H LYS A 13 -8.595 -2.989 -9.803 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.987 -2.958 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.963 -4.898 -8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.205 -5.336 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.931 -2.872 -6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.073 -3.018 -7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.347 -5.491 -6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.033 -4.431 -5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.836 -2.846 -6.505 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.357 -4.371 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.423 -3.976 -5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.411 -5.337 -4.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.906 -3.859 -4.278 1.00 0.00 H new ATOM 205 N GLU A 14 -6.138 -5.523 -9.407 1.00 0.00 N ATOM 206 CA GLU A 14 -4.983 -6.431 -9.651 1.00 0.00 C ATOM 207 C GLU A 14 -3.738 -5.591 -9.941 1.00 0.00 C ATOM 208 O GLU A 14 -2.666 -5.843 -9.423 1.00 0.00 O ATOM 209 CB GLU A 14 -5.376 -7.256 -10.878 1.00 0.00 C ATOM 210 CG GLU A 14 -5.355 -8.744 -10.520 1.00 0.00 C ATOM 211 CD GLU A 14 -6.653 -9.115 -9.800 1.00 0.00 C ATOM 212 OE1 GLU A 14 -6.997 -8.431 -8.850 1.00 0.00 O ATOM 213 OE2 GLU A 14 -7.281 -10.076 -10.211 1.00 0.00 O ATOM 0 H GLU A 14 -6.956 -5.688 -9.994 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.758 -7.070 -8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.370 -6.967 -11.221 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.686 -7.059 -11.699 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.243 -9.344 -11.423 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.498 -8.963 -9.883 1.00 0.00 H new ATOM 220 N ALA A 15 -3.878 -4.581 -10.758 1.00 0.00 N ATOM 221 CA ALA A 15 -2.712 -3.711 -11.075 1.00 0.00 C ATOM 222 C ALA A 15 -2.248 -2.987 -9.810 1.00 0.00 C ATOM 223 O ALA A 15 -1.080 -2.993 -9.476 1.00 0.00 O ATOM 224 CB ALA A 15 -3.232 -2.709 -12.106 1.00 0.00 C ATOM 0 H ALA A 15 -4.750 -4.322 -11.219 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.861 -4.276 -11.455 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.428 -2.030 -12.391 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.585 -3.244 -12.988 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.054 -2.137 -11.675 1.00 0.00 H new ATOM 230 N PHE A 16 -3.154 -2.370 -9.098 1.00 0.00 N ATOM 231 CA PHE A 16 -2.750 -1.658 -7.853 1.00 0.00 C ATOM 232 C PHE A 16 -1.798 -2.538 -7.045 1.00 0.00 C ATOM 233 O PHE A 16 -0.648 -2.204 -6.844 1.00 0.00 O ATOM 234 CB PHE A 16 -4.044 -1.428 -7.071 1.00 0.00 C ATOM 235 CG PHE A 16 -3.694 -0.948 -5.683 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.298 0.380 -5.479 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.755 -1.834 -4.599 1.00 0.00 C ATOM 238 CE1 PHE A 16 -2.963 0.821 -4.192 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.422 -1.392 -3.314 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.025 -0.065 -3.110 1.00 0.00 C ATOM 0 H PHE A 16 -4.148 -2.329 -9.323 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.237 -0.720 -8.066 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.667 -0.692 -7.579 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.622 -2.351 -7.017 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.251 1.064 -6.314 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.059 -2.858 -4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.657 1.845 -4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.471 -2.075 -2.479 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.767 0.275 -2.118 1.00 0.00 H new ATOM 250 N ALA A 17 -2.268 -3.667 -6.588 1.00 0.00 N ATOM 251 CA ALA A 17 -1.385 -4.571 -5.801 1.00 0.00 C ATOM 252 C ALA A 17 -0.020 -4.667 -6.481 1.00 0.00 C ATOM 253 O ALA A 17 1.012 -4.558 -5.848 1.00 0.00 O ATOM 254 CB ALA A 17 -2.090 -5.927 -5.811 1.00 0.00 C ATOM 0 H ALA A 17 -3.222 -4.001 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.218 -4.215 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.498 -6.649 -5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.074 -5.829 -5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.202 -6.271 -6.839 1.00 0.00 H new ATOM 260 N LEU A 18 -0.005 -4.857 -7.774 1.00 0.00 N ATOM 261 CA LEU A 18 1.297 -4.944 -8.494 1.00 0.00 C ATOM 262 C LEU A 18 2.161 -3.734 -8.135 1.00 0.00 C ATOM 263 O LEU A 18 3.356 -3.847 -7.942 1.00 0.00 O ATOM 264 CB LEU A 18 0.933 -4.925 -9.980 1.00 0.00 C ATOM 265 CG LEU A 18 1.419 -6.214 -10.642 1.00 0.00 C ATOM 266 CD1 LEU A 18 2.945 -6.279 -10.575 1.00 0.00 C ATOM 267 CD2 LEU A 18 0.825 -7.418 -9.906 1.00 0.00 C ATOM 0 H LEU A 18 -0.834 -4.955 -8.359 1.00 0.00 H new ATOM 0 HA LEU A 18 1.864 -5.837 -8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.146 -4.827 -10.099 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.387 -4.061 -10.465 1.00 0.00 H new ATOM 0 HG LEU A 18 1.101 -6.230 -11.684 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.291 -7.198 -11.047 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.369 -5.421 -11.097 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.264 -6.264 -9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.170 -8.339 -10.376 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.144 -7.401 -8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.263 -7.373 -9.953 1.00 0.00 H new ATOM 279 N PHE A 19 1.562 -2.578 -8.032 1.00 0.00 N ATOM 280 CA PHE A 19 2.344 -1.361 -7.673 1.00 0.00 C ATOM 281 C PHE A 19 2.850 -1.482 -6.233 1.00 0.00 C ATOM 282 O PHE A 19 3.958 -1.094 -5.916 1.00 0.00 O ATOM 283 CB PHE A 19 1.354 -0.198 -7.792 1.00 0.00 C ATOM 284 CG PHE A 19 1.079 0.110 -9.250 1.00 0.00 C ATOM 285 CD1 PHE A 19 1.487 -0.778 -10.253 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.411 1.292 -9.593 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.228 -0.484 -11.597 1.00 0.00 C ATOM 288 CE2 PHE A 19 0.151 1.585 -10.938 1.00 0.00 C ATOM 289 CZ PHE A 19 0.561 0.697 -11.940 1.00 0.00 C ATOM 0 H PHE A 19 0.565 -2.424 -8.181 1.00 0.00 H new ATOM 0 HA PHE A 19 3.213 -1.220 -8.316 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.423 -0.450 -7.285 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.758 0.685 -7.296 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.002 -1.690 -9.990 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.096 1.978 -8.820 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.543 -1.169 -12.370 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.366 2.496 -11.202 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.362 0.924 -12.977 1.00 0.00 H new ATOM 299 N ASP A 20 2.041 -2.019 -5.362 1.00 0.00 N ATOM 300 CA ASP A 20 2.463 -2.173 -3.941 1.00 0.00 C ATOM 301 C ASP A 20 3.278 -3.457 -3.769 1.00 0.00 C ATOM 302 O ASP A 20 3.199 -4.366 -4.572 1.00 0.00 O ATOM 303 CB ASP A 20 1.156 -2.255 -3.151 1.00 0.00 C ATOM 304 CG ASP A 20 1.415 -1.869 -1.693 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.263 -1.021 -1.467 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.760 -2.427 -0.828 1.00 0.00 O ATOM 0 H ASP A 20 1.103 -2.359 -5.574 1.00 0.00 H new ATOM 0 HA ASP A 20 3.094 -1.351 -3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.412 -1.589 -3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.749 -3.265 -3.204 1.00 0.00 H new ATOM 311 N LYS A 21 4.061 -3.541 -2.728 1.00 0.00 N ATOM 312 CA LYS A 21 4.879 -4.768 -2.508 1.00 0.00 C ATOM 313 C LYS A 21 4.435 -5.480 -1.227 1.00 0.00 C ATOM 314 O LYS A 21 4.984 -6.494 -0.846 1.00 0.00 O ATOM 315 CB LYS A 21 6.317 -4.266 -2.372 1.00 0.00 C ATOM 316 CG LYS A 21 6.919 -4.063 -3.764 1.00 0.00 C ATOM 317 CD LYS A 21 8.089 -5.029 -3.962 1.00 0.00 C ATOM 318 CE LYS A 21 7.667 -6.437 -3.535 1.00 0.00 C ATOM 319 NZ LYS A 21 8.034 -7.314 -4.681 1.00 0.00 N ATOM 0 H LYS A 21 4.170 -2.814 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 21 4.773 -5.486 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.335 -3.329 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.912 -4.984 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.160 -4.233 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.260 -3.034 -3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.399 -5.032 -5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.948 -4.702 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.180 -6.743 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.598 -6.483 -3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.775 -8.297 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.525 -7.003 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.059 -7.255 -4.849 1.00 0.00 H new ATOM 333 N ASP A 22 3.441 -4.957 -0.562 1.00 0.00 N ATOM 334 CA ASP A 22 2.960 -5.603 0.693 1.00 0.00 C ATOM 335 C ASP A 22 1.472 -5.939 0.576 1.00 0.00 C ATOM 336 O ASP A 22 0.922 -6.665 1.379 1.00 0.00 O ATOM 337 CB ASP A 22 3.191 -4.563 1.788 1.00 0.00 C ATOM 338 CG ASP A 22 4.587 -3.959 1.635 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.536 -4.722 1.553 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.685 -2.743 1.601 1.00 0.00 O ATOM 0 H ASP A 22 2.941 -4.110 -0.833 1.00 0.00 H new ATOM 0 HA ASP A 22 3.481 -6.537 0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.436 -3.780 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.089 -5.025 2.770 1.00 0.00 H new ATOM 345 N ASN A 23 0.815 -5.413 -0.422 1.00 0.00 N ATOM 346 CA ASN A 23 -0.640 -5.699 -0.594 1.00 0.00 C ATOM 347 C ASN A 23 -1.426 -5.158 0.600 1.00 0.00 C ATOM 348 O ASN A 23 -2.490 -5.648 0.928 1.00 0.00 O ATOM 349 CB ASN A 23 -0.753 -7.222 -0.652 1.00 0.00 C ATOM 350 CG ASN A 23 0.399 -7.801 -1.478 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.359 -7.786 -2.692 1.00 0.00 O ATOM 352 ND2 ASN A 23 1.431 -8.315 -0.865 1.00 0.00 N ATOM 0 H ASN A 23 1.222 -4.797 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.044 -5.228 -1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.732 -7.635 0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.708 -7.508 -1.094 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.204 -8.704 -1.406 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.465 -8.328 0.154 1.00 0.00 H new ATOM 359 N ASN A 24 -0.918 -4.150 1.253 1.00 0.00 N ATOM 360 CA ASN A 24 -1.643 -3.578 2.422 1.00 0.00 C ATOM 361 C ASN A 24 -2.691 -2.569 1.947 1.00 0.00 C ATOM 362 O ASN A 24 -3.187 -1.768 2.713 1.00 0.00 O ATOM 363 CB ASN A 24 -0.568 -2.879 3.257 1.00 0.00 C ATOM 364 CG ASN A 24 0.663 -3.779 3.369 1.00 0.00 C ATOM 365 OD1 ASN A 24 1.753 -3.307 3.626 1.00 0.00 O ATOM 366 ND2 ASN A 24 0.535 -5.065 3.186 1.00 0.00 N ATOM 0 H ASN A 24 -0.032 -3.698 1.028 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.169 -4.342 2.995 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.296 -1.930 2.796 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.956 -2.651 4.250 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.350 -5.674 3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.380 -5.461 2.970 1.00 0.00 H new ATOM 373 N GLY A 25 -3.027 -2.599 0.686 1.00 0.00 N ATOM 374 CA GLY A 25 -4.038 -1.637 0.162 1.00 0.00 C ATOM 375 C GLY A 25 -3.422 -0.239 0.114 1.00 0.00 C ATOM 376 O GLY A 25 -4.109 0.747 -0.068 1.00 0.00 O ATOM 0 H GLY A 25 -2.646 -3.247 -0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.363 -1.939 -0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.922 -1.636 0.800 1.00 0.00 H new ATOM 380 N SER A 26 -2.131 -0.145 0.277 1.00 0.00 N ATOM 381 CA SER A 26 -1.468 1.188 0.243 1.00 0.00 C ATOM 382 C SER A 26 -0.078 1.068 -0.389 1.00 0.00 C ATOM 383 O SER A 26 0.607 0.079 -0.222 1.00 0.00 O ATOM 384 CB SER A 26 -1.358 1.609 1.707 1.00 0.00 C ATOM 385 OG SER A 26 -0.058 2.132 1.951 1.00 0.00 O ATOM 0 H SER A 26 -1.506 -0.936 0.433 1.00 0.00 H new ATOM 0 HA SER A 26 -2.024 1.915 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.114 2.360 1.939 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.547 0.755 2.358 1.00 0.00 H new ATOM 0 HG SER A 26 0.014 2.404 2.890 1.00 0.00 H new ATOM 391 N ILE A 27 0.341 2.067 -1.116 1.00 0.00 N ATOM 392 CA ILE A 27 1.685 2.008 -1.761 1.00 0.00 C ATOM 393 C ILE A 27 2.534 3.206 -1.332 1.00 0.00 C ATOM 394 O ILE A 27 2.149 4.345 -1.504 1.00 0.00 O ATOM 395 CB ILE A 27 1.403 2.059 -3.262 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.894 0.696 -3.730 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.686 2.409 -4.016 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.213 0.895 -4.766 1.00 0.00 C ATOM 0 H ILE A 27 -0.188 2.921 -1.292 1.00 0.00 H new ATOM 0 HA ILE A 27 2.240 1.113 -1.479 1.00 0.00 H new ATOM 0 HB ILE A 27 0.648 2.820 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.712 0.119 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.515 0.126 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.481 2.444 -5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.050 3.381 -3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.443 1.651 -3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.577 -0.076 -5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.034 1.455 -4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.182 1.448 -5.618 1.00 0.00 H new ATOM 410 N SER A 28 3.689 2.959 -0.777 1.00 0.00 N ATOM 411 CA SER A 28 4.563 4.085 -0.339 1.00 0.00 C ATOM 412 C SER A 28 5.303 4.677 -1.542 1.00 0.00 C ATOM 413 O SER A 28 4.994 4.383 -2.679 1.00 0.00 O ATOM 414 CB SER A 28 5.550 3.461 0.645 1.00 0.00 C ATOM 415 OG SER A 28 6.548 4.416 0.978 1.00 0.00 O ATOM 0 H SER A 28 4.066 2.026 -0.608 1.00 0.00 H new ATOM 0 HA SER A 28 3.995 4.897 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.028 3.135 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.010 2.576 0.205 1.00 0.00 H new ATOM 0 HG SER A 28 7.182 4.019 1.611 1.00 0.00 H new ATOM 421 N SER A 29 6.280 5.509 -1.299 1.00 0.00 N ATOM 422 CA SER A 29 7.039 6.118 -2.428 1.00 0.00 C ATOM 423 C SER A 29 7.719 5.028 -3.260 1.00 0.00 C ATOM 424 O SER A 29 7.381 4.806 -4.405 1.00 0.00 O ATOM 425 CB SER A 29 8.082 7.015 -1.764 1.00 0.00 C ATOM 426 OG SER A 29 8.692 6.311 -0.690 1.00 0.00 O ATOM 0 H SER A 29 6.585 5.793 -0.368 1.00 0.00 H new ATOM 0 HA SER A 29 6.393 6.676 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.836 7.316 -2.492 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.612 7.927 -1.396 1.00 0.00 H new ATOM 0 HG SER A 29 8.313 6.618 0.160 1.00 0.00 H new ATOM 432 N SER A 30 8.676 4.346 -2.693 1.00 0.00 N ATOM 433 CA SER A 30 9.378 3.271 -3.453 1.00 0.00 C ATOM 434 C SER A 30 8.393 2.162 -3.833 1.00 0.00 C ATOM 435 O SER A 30 8.438 1.624 -4.920 1.00 0.00 O ATOM 436 CB SER A 30 10.441 2.738 -2.495 1.00 0.00 C ATOM 437 OG SER A 30 9.829 2.388 -1.261 1.00 0.00 O ATOM 0 H SER A 30 9.003 4.486 -1.737 1.00 0.00 H new ATOM 0 HA SER A 30 9.814 3.640 -4.381 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.935 1.868 -2.929 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.210 3.492 -2.331 1.00 0.00 H new ATOM 0 HG SER A 30 10.509 2.044 -0.645 1.00 0.00 H new ATOM 443 N GLU A 31 7.504 1.815 -2.943 1.00 0.00 N ATOM 444 CA GLU A 31 6.518 0.741 -3.254 1.00 0.00 C ATOM 445 C GLU A 31 5.968 0.920 -4.672 1.00 0.00 C ATOM 446 O GLU A 31 6.076 0.042 -5.505 1.00 0.00 O ATOM 447 CB GLU A 31 5.404 0.914 -2.220 1.00 0.00 C ATOM 448 CG GLU A 31 5.758 0.134 -0.952 1.00 0.00 C ATOM 449 CD GLU A 31 4.477 -0.403 -0.308 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.744 0.392 0.256 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.253 -1.599 -0.390 1.00 0.00 O ATOM 0 H GLU A 31 7.418 2.228 -2.014 1.00 0.00 H new ATOM 0 HA GLU A 31 6.963 -0.253 -3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.272 1.970 -1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.458 0.558 -2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.429 -0.690 -1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.287 0.780 -0.251 1.00 0.00 H new ATOM 458 N LEU A 32 5.380 2.050 -4.953 1.00 0.00 N ATOM 459 CA LEU A 32 4.824 2.282 -6.317 1.00 0.00 C ATOM 460 C LEU A 32 5.949 2.273 -7.356 1.00 0.00 C ATOM 461 O LEU A 32 5.860 1.619 -8.376 1.00 0.00 O ATOM 462 CB LEU A 32 4.171 3.664 -6.250 1.00 0.00 C ATOM 463 CG LEU A 32 2.726 3.570 -6.745 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.959 4.825 -6.325 1.00 0.00 C ATOM 465 CD2 LEU A 32 2.718 3.456 -8.271 1.00 0.00 C ATOM 0 H LEU A 32 5.260 2.823 -4.298 1.00 0.00 H new ATOM 0 HA LEU A 32 4.114 1.508 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.192 4.039 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.731 4.372 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 32 2.250 2.691 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.930 4.758 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.965 4.909 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.435 5.704 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.689 3.389 -8.625 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.194 4.336 -8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.264 2.562 -8.572 1.00 0.00 H new ATOM 477 N ALA A 33 7.008 2.993 -7.103 1.00 0.00 N ATOM 478 CA ALA A 33 8.137 3.025 -8.076 1.00 0.00 C ATOM 479 C ALA A 33 8.683 1.613 -8.301 1.00 0.00 C ATOM 480 O ALA A 33 9.283 1.324 -9.318 1.00 0.00 O ATOM 481 CB ALA A 33 9.197 3.913 -7.423 1.00 0.00 C ATOM 0 H ALA A 33 7.140 3.560 -6.265 1.00 0.00 H new ATOM 0 HA ALA A 33 7.831 3.405 -9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.064 3.987 -8.079 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.784 4.907 -7.253 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.499 3.478 -6.470 1.00 0.00 H new ATOM 487 N THR A 34 8.482 0.731 -7.361 1.00 0.00 N ATOM 488 CA THR A 34 8.991 -0.662 -7.523 1.00 0.00 C ATOM 489 C THR A 34 8.483 -1.260 -8.838 1.00 0.00 C ATOM 490 O THR A 34 9.019 -2.230 -9.336 1.00 0.00 O ATOM 491 CB THR A 34 8.425 -1.432 -6.329 1.00 0.00 C ATOM 492 OG1 THR A 34 8.679 -0.704 -5.134 1.00 0.00 O ATOM 493 CG2 THR A 34 9.091 -2.806 -6.243 1.00 0.00 C ATOM 0 H THR A 34 7.988 0.914 -6.488 1.00 0.00 H new ATOM 0 HA THR A 34 10.080 -0.703 -7.555 1.00 0.00 H new ATOM 0 HB THR A 34 7.350 -1.560 -6.455 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.072 0.165 -5.358 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.687 -3.354 -5.392 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.895 -3.363 -7.159 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.167 -2.682 -6.117 1.00 0.00 H new ATOM 501 N VAL A 35 7.454 -0.690 -9.402 1.00 0.00 N ATOM 502 CA VAL A 35 6.915 -1.228 -10.684 1.00 0.00 C ATOM 503 C VAL A 35 8.001 -1.213 -11.763 1.00 0.00 C ATOM 504 O VAL A 35 8.295 -2.220 -12.375 1.00 0.00 O ATOM 505 CB VAL A 35 5.772 -0.285 -11.060 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.306 -0.589 -12.484 1.00 0.00 C ATOM 507 CG2 VAL A 35 4.607 -0.485 -10.089 1.00 0.00 C ATOM 0 H VAL A 35 6.963 0.124 -9.032 1.00 0.00 H new ATOM 0 HA VAL A 35 6.577 -2.260 -10.589 1.00 0.00 H new ATOM 0 HB VAL A 35 6.119 0.747 -11.005 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.491 0.084 -12.752 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.136 -0.447 -13.176 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.958 -1.621 -12.541 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.791 0.187 -10.356 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.260 -1.517 -10.144 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.938 -0.268 -9.074 1.00 0.00 H new ATOM 639 N SER A 44 14.516 8.251 -9.211 1.00 0.00 N ATOM 640 CA SER A 44 14.948 8.542 -7.815 1.00 0.00 C ATOM 641 C SER A 44 13.761 9.046 -6.990 1.00 0.00 C ATOM 642 O SER A 44 12.740 9.423 -7.529 1.00 0.00 O ATOM 643 CB SER A 44 16.011 9.631 -7.948 1.00 0.00 C ATOM 644 OG SER A 44 16.522 9.627 -9.275 1.00 0.00 O ATOM 0 HA SER A 44 15.334 7.657 -7.308 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.582 10.605 -7.714 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.817 9.458 -7.235 1.00 0.00 H new ATOM 0 HG SER A 44 15.823 9.329 -9.894 1.00 0.00 H new ATOM 650 N GLU A 45 13.892 9.047 -5.687 1.00 0.00 N ATOM 651 CA GLU A 45 12.778 9.520 -4.807 1.00 0.00 C ATOM 652 C GLU A 45 12.020 10.675 -5.466 1.00 0.00 C ATOM 653 O GLU A 45 10.806 10.690 -5.506 1.00 0.00 O ATOM 654 CB GLU A 45 13.465 9.995 -3.526 1.00 0.00 C ATOM 655 CG GLU A 45 14.597 10.962 -3.881 1.00 0.00 C ATOM 656 CD GLU A 45 15.506 11.154 -2.665 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.687 10.198 -1.929 1.00 0.00 O ATOM 658 OE2 GLU A 45 16.004 12.254 -2.491 1.00 0.00 O ATOM 0 H GLU A 45 14.728 8.738 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 45 12.046 8.735 -4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.743 10.487 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.861 9.142 -2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.173 10.572 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.185 11.921 -4.195 1.00 0.00 H new ATOM 665 N ALA A 46 12.723 11.642 -5.989 1.00 0.00 N ATOM 666 CA ALA A 46 12.033 12.786 -6.648 1.00 0.00 C ATOM 667 C ALA A 46 10.923 12.265 -7.565 1.00 0.00 C ATOM 668 O ALA A 46 9.775 12.644 -7.443 1.00 0.00 O ATOM 669 CB ALA A 46 13.118 13.488 -7.464 1.00 0.00 C ATOM 0 H ALA A 46 13.742 11.689 -5.989 1.00 0.00 H new ATOM 0 HA ALA A 46 11.567 13.461 -5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.687 14.345 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.912 13.827 -6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.530 12.793 -8.195 1.00 0.00 H new ATOM 675 N GLU A 47 11.256 11.394 -8.477 1.00 0.00 N ATOM 676 CA GLU A 47 10.222 10.842 -9.397 1.00 0.00 C ATOM 677 C GLU A 47 9.395 9.776 -8.674 1.00 0.00 C ATOM 678 O GLU A 47 8.202 9.658 -8.874 1.00 0.00 O ATOM 679 CB GLU A 47 11.010 10.219 -10.550 1.00 0.00 C ATOM 680 CG GLU A 47 11.956 11.264 -11.145 1.00 0.00 C ATOM 681 CD GLU A 47 11.139 12.403 -11.757 1.00 0.00 C ATOM 682 OE1 GLU A 47 9.983 12.174 -12.074 1.00 0.00 O ATOM 683 OE2 GLU A 47 11.683 13.486 -11.899 1.00 0.00 O ATOM 0 H GLU A 47 12.201 11.040 -8.625 1.00 0.00 H new ATOM 0 HA GLU A 47 9.526 11.605 -9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.578 9.360 -10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.326 9.854 -11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.619 11.652 -10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.588 10.806 -11.906 1.00 0.00 H new ATOM 690 N VAL A 48 10.021 9.005 -7.829 1.00 0.00 N ATOM 691 CA VAL A 48 9.275 7.951 -7.082 1.00 0.00 C ATOM 692 C VAL A 48 8.216 8.604 -6.196 1.00 0.00 C ATOM 693 O VAL A 48 7.028 8.464 -6.412 1.00 0.00 O ATOM 694 CB VAL A 48 10.330 7.257 -6.219 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.737 5.999 -5.589 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.529 6.872 -7.084 1.00 0.00 C ATOM 0 H VAL A 48 11.018 9.059 -7.622 1.00 0.00 H new ATOM 0 HA VAL A 48 8.764 7.251 -7.744 1.00 0.00 H new ATOM 0 HB VAL A 48 10.652 7.939 -5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.493 5.509 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.885 6.271 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.410 5.318 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.279 6.378 -6.467 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.205 6.194 -7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.959 7.769 -7.529 1.00 0.00 H new ATOM 706 N ASN A 49 8.649 9.325 -5.203 1.00 0.00 N ATOM 707 CA ASN A 49 7.692 10.007 -4.293 1.00 0.00 C ATOM 708 C ASN A 49 6.705 10.845 -5.114 1.00 0.00 C ATOM 709 O ASN A 49 5.527 10.897 -4.823 1.00 0.00 O ATOM 710 CB ASN A 49 8.585 10.887 -3.413 1.00 0.00 C ATOM 711 CG ASN A 49 7.819 12.129 -2.943 1.00 0.00 C ATOM 712 OD1 ASN A 49 6.942 12.035 -2.107 1.00 0.00 O ATOM 713 ND2 ASN A 49 8.116 13.294 -3.448 1.00 0.00 N ATOM 0 H ASN A 49 9.634 9.472 -4.981 1.00 0.00 H new ATOM 0 HA ASN A 49 7.088 9.321 -3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.930 10.317 -2.550 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.471 11.189 -3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.612 14.126 -3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.852 13.373 -4.150 1.00 0.00 H new ATOM 720 N ASP A 50 7.176 11.497 -6.143 1.00 0.00 N ATOM 721 CA ASP A 50 6.263 12.323 -6.982 1.00 0.00 C ATOM 722 C ASP A 50 5.134 11.452 -7.537 1.00 0.00 C ATOM 723 O ASP A 50 3.983 11.843 -7.550 1.00 0.00 O ATOM 724 CB ASP A 50 7.136 12.858 -8.117 1.00 0.00 C ATOM 725 CG ASP A 50 7.743 14.201 -7.706 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.267 14.772 -6.738 1.00 0.00 O ATOM 727 OD2 ASP A 50 8.672 14.636 -8.366 1.00 0.00 O ATOM 0 H ASP A 50 8.152 11.493 -6.438 1.00 0.00 H new ATOM 0 HA ASP A 50 5.798 13.130 -6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.927 12.145 -8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.541 12.978 -9.022 1.00 0.00 H new ATOM 732 N LEU A 51 5.455 10.270 -7.990 1.00 0.00 N ATOM 733 CA LEU A 51 4.400 9.372 -8.538 1.00 0.00 C ATOM 734 C LEU A 51 3.349 9.085 -7.464 1.00 0.00 C ATOM 735 O LEU A 51 2.170 9.309 -7.659 1.00 0.00 O ATOM 736 CB LEU A 51 5.135 8.088 -8.926 1.00 0.00 C ATOM 737 CG LEU A 51 5.164 7.956 -10.449 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.735 7.991 -10.993 1.00 0.00 C ATOM 739 CD2 LEU A 51 5.963 9.118 -11.045 1.00 0.00 C ATOM 0 H LEU A 51 6.401 9.889 -8.004 1.00 0.00 H new ATOM 0 HA LEU A 51 3.878 9.813 -9.387 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.151 8.105 -8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.637 7.224 -8.485 1.00 0.00 H new ATOM 0 HG LEU A 51 5.634 7.011 -10.722 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.757 7.897 -12.079 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.164 7.165 -10.568 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.265 8.936 -10.720 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.985 9.025 -12.131 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.492 10.062 -10.771 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.982 9.095 -10.658 1.00 0.00 H new ATOM 751 N MET A 52 3.766 8.594 -6.328 1.00 0.00 N ATOM 752 CA MET A 52 2.789 8.298 -5.242 1.00 0.00 C ATOM 753 C MET A 52 1.860 9.498 -5.033 1.00 0.00 C ATOM 754 O MET A 52 0.653 9.376 -5.090 1.00 0.00 O ATOM 755 CB MET A 52 3.645 8.056 -3.996 1.00 0.00 C ATOM 756 CG MET A 52 2.775 8.172 -2.742 1.00 0.00 C ATOM 757 SD MET A 52 2.862 9.864 -2.100 1.00 0.00 S ATOM 758 CE MET A 52 4.661 9.949 -1.929 1.00 0.00 C ATOM 0 H MET A 52 4.739 8.386 -6.106 1.00 0.00 H new ATOM 0 HA MET A 52 2.156 7.441 -5.473 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.102 7.067 -4.043 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.458 8.781 -3.955 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.743 7.914 -2.978 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.115 7.466 -1.984 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.922 10.722 -1.206 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.040 8.987 -1.584 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.107 10.189 -2.894 1.00 0.00 H new ATOM 768 N ASN A 53 2.415 10.654 -4.793 1.00 0.00 N ATOM 769 CA ASN A 53 1.565 11.860 -4.581 1.00 0.00 C ATOM 770 C ASN A 53 0.607 12.048 -5.760 1.00 0.00 C ATOM 771 O ASN A 53 -0.592 12.148 -5.588 1.00 0.00 O ATOM 772 CB ASN A 53 2.549 13.028 -4.499 1.00 0.00 C ATOM 773 CG ASN A 53 1.932 14.159 -3.675 1.00 0.00 C ATOM 774 OD1 ASN A 53 2.244 14.319 -2.511 1.00 0.00 O ATOM 775 ND2 ASN A 53 1.062 14.957 -4.232 1.00 0.00 N ATOM 0 H ASN A 53 3.420 10.816 -4.734 1.00 0.00 H new ATOM 0 HA ASN A 53 0.951 11.779 -3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.483 12.699 -4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.791 13.384 -5.500 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.645 15.714 -3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.800 14.824 -5.209 1.00 0.00 H new ATOM 782 N GLU A 54 1.124 12.097 -6.957 1.00 0.00 N ATOM 783 CA GLU A 54 0.241 12.279 -8.144 1.00 0.00 C ATOM 784 C GLU A 54 -0.954 11.325 -8.065 1.00 0.00 C ATOM 785 O GLU A 54 -2.093 11.732 -8.179 1.00 0.00 O ATOM 786 CB GLU A 54 1.120 11.939 -9.348 1.00 0.00 C ATOM 787 CG GLU A 54 0.239 11.717 -10.579 1.00 0.00 C ATOM 788 CD GLU A 54 1.123 11.444 -11.798 1.00 0.00 C ATOM 789 OE1 GLU A 54 1.750 10.398 -11.828 1.00 0.00 O ATOM 790 OE2 GLU A 54 1.159 12.287 -12.679 1.00 0.00 O ATOM 0 H GLU A 54 2.120 12.019 -7.165 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.163 13.289 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.827 12.747 -9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.707 11.044 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.435 10.877 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.383 12.594 -10.757 1.00 0.00 H new ATOM 797 N ILE A 55 -0.703 10.060 -7.872 1.00 0.00 N ATOM 798 CA ILE A 55 -1.826 9.082 -7.786 1.00 0.00 C ATOM 799 C ILE A 55 -2.439 9.097 -6.383 1.00 0.00 C ATOM 800 O ILE A 55 -3.357 8.360 -6.089 1.00 0.00 O ATOM 801 CB ILE A 55 -1.191 7.723 -8.080 1.00 0.00 C ATOM 802 CG1 ILE A 55 -2.278 6.646 -8.098 1.00 0.00 C ATOM 803 CG2 ILE A 55 -0.166 7.393 -6.994 1.00 0.00 C ATOM 804 CD1 ILE A 55 -2.038 5.698 -9.275 1.00 0.00 C ATOM 0 H ILE A 55 0.230 9.660 -7.770 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.630 9.316 -8.484 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.695 7.756 -9.050 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.269 6.089 -7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.261 7.108 -8.184 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.287 6.424 -7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.608 8.160 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.662 7.360 -6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.812 4.931 -9.288 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.069 6.261 -10.208 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.061 5.226 -9.169 1.00 0.00 H new ATOM 816 N ASP A 56 -1.937 9.933 -5.515 1.00 0.00 N ATOM 817 CA ASP A 56 -2.494 9.993 -4.134 1.00 0.00 C ATOM 818 C ASP A 56 -3.707 10.923 -4.091 1.00 0.00 C ATOM 819 O ASP A 56 -4.107 11.488 -5.090 1.00 0.00 O ATOM 820 CB ASP A 56 -1.361 10.555 -3.272 1.00 0.00 C ATOM 821 CG ASP A 56 -1.078 9.597 -2.113 1.00 0.00 C ATOM 822 OD1 ASP A 56 -2.016 8.981 -1.637 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.072 9.498 -1.721 1.00 0.00 O ATOM 0 H ASP A 56 -1.167 10.575 -5.702 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.829 9.017 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.463 10.688 -3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.635 11.537 -2.887 1.00 0.00 H new ATOM 828 N VAL A 57 -4.296 11.087 -2.938 1.00 0.00 N ATOM 829 CA VAL A 57 -5.484 11.981 -2.825 1.00 0.00 C ATOM 830 C VAL A 57 -5.449 12.735 -1.493 1.00 0.00 C ATOM 831 O VAL A 57 -5.824 13.888 -1.412 1.00 0.00 O ATOM 832 CB VAL A 57 -6.690 11.045 -2.885 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.730 10.354 -4.249 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.573 9.988 -1.785 1.00 0.00 C ATOM 0 H VAL A 57 -4.006 10.640 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.516 12.733 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.604 11.622 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.590 9.686 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.813 11.105 -5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.816 9.778 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.434 9.321 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.659 9.412 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.542 10.478 -0.812 1.00 0.00 H new ATOM 844 N ASP A 58 -4.999 12.095 -0.448 1.00 0.00 N ATOM 845 CA ASP A 58 -4.938 12.778 0.876 1.00 0.00 C ATOM 846 C ASP A 58 -3.532 13.333 1.120 1.00 0.00 C ATOM 847 O ASP A 58 -3.323 14.167 1.980 1.00 0.00 O ATOM 848 CB ASP A 58 -5.272 11.692 1.899 1.00 0.00 C ATOM 849 CG ASP A 58 -4.326 10.504 1.710 1.00 0.00 C ATOM 850 OD1 ASP A 58 -3.588 10.509 0.738 1.00 0.00 O ATOM 851 OD2 ASP A 58 -4.356 9.610 2.540 1.00 0.00 O ATOM 0 H ASP A 58 -4.671 11.129 -0.454 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.627 13.620 0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.177 12.088 2.910 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.306 11.370 1.778 1.00 0.00 H new ATOM 856 N GLY A 59 -2.565 12.880 0.368 1.00 0.00 N ATOM 857 CA GLY A 59 -1.174 13.383 0.556 1.00 0.00 C ATOM 858 C GLY A 59 -0.574 12.782 1.829 1.00 0.00 C ATOM 859 O GLY A 59 -0.428 13.452 2.833 1.00 0.00 O ATOM 0 H GLY A 59 -2.678 12.183 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.562 13.118 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.177 14.471 0.623 1.00 0.00 H new ATOM 863 N ASN A 60 -0.226 11.525 1.797 1.00 0.00 N ATOM 864 CA ASN A 60 0.363 10.883 3.005 1.00 0.00 C ATOM 865 C ASN A 60 1.605 10.073 2.621 1.00 0.00 C ATOM 866 O ASN A 60 1.972 9.128 3.290 1.00 0.00 O ATOM 867 CB ASN A 60 -0.734 9.959 3.533 1.00 0.00 C ATOM 868 CG ASN A 60 -1.235 9.063 2.400 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.548 9.538 1.327 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.324 7.775 2.594 1.00 0.00 N ATOM 0 H ASN A 60 -0.324 10.915 0.986 1.00 0.00 H new ATOM 0 HA ASN A 60 0.678 11.614 3.750 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.348 9.349 4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.558 10.548 3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.656 7.168 1.845 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.061 7.376 3.495 1.00 0.00 H new ATOM 877 N HIS A 61 2.250 10.434 1.544 1.00 0.00 N ATOM 878 CA HIS A 61 3.467 9.686 1.106 1.00 0.00 C ATOM 879 C HIS A 61 3.084 8.277 0.641 1.00 0.00 C ATOM 880 O HIS A 61 3.932 7.464 0.329 1.00 0.00 O ATOM 881 CB HIS A 61 4.373 9.618 2.339 1.00 0.00 C ATOM 882 CG HIS A 61 4.370 10.946 3.049 1.00 0.00 C ATOM 883 ND1 HIS A 61 4.135 12.138 2.384 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.570 11.283 4.365 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.199 13.129 3.293 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.462 12.662 4.516 1.00 0.00 N ATOM 0 H HIS A 61 1.986 11.217 0.946 1.00 0.00 H new ATOM 0 HA HIS A 61 3.965 10.174 0.268 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.027 8.834 3.013 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.389 9.357 2.041 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.779 10.584 5.161 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.055 14.174 3.061 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.562 13.201 5.376 1.00 0.00 H new ATOM 894 N GLN A 62 1.813 7.985 0.589 1.00 0.00 N ATOM 895 CA GLN A 62 1.369 6.633 0.142 1.00 0.00 C ATOM 896 C GLN A 62 -0.032 6.724 -0.467 1.00 0.00 C ATOM 897 O GLN A 62 -0.801 7.606 -0.141 1.00 0.00 O ATOM 898 CB GLN A 62 1.342 5.772 1.408 1.00 0.00 C ATOM 899 CG GLN A 62 2.597 6.038 2.243 1.00 0.00 C ATOM 900 CD GLN A 62 2.619 5.094 3.446 1.00 0.00 C ATOM 901 OE1 GLN A 62 2.588 5.533 4.579 1.00 0.00 O ATOM 902 NE2 GLN A 62 2.672 3.805 3.248 1.00 0.00 N ATOM 0 H GLN A 62 1.060 8.627 0.838 1.00 0.00 H new ATOM 0 HA GLN A 62 2.030 6.213 -0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.450 5.997 1.993 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.289 4.717 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.489 5.890 1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.609 7.074 2.580 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.698 3.436 2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.687 3.167 4.044 1.00 0.00 H new ATOM 911 N ILE A 63 -0.371 5.825 -1.350 1.00 0.00 N ATOM 912 CA ILE A 63 -1.723 5.876 -1.971 1.00 0.00 C ATOM 913 C ILE A 63 -2.455 4.545 -1.772 1.00 0.00 C ATOM 914 O ILE A 63 -1.846 3.504 -1.635 1.00 0.00 O ATOM 915 CB ILE A 63 -1.472 6.132 -3.461 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.043 4.831 -4.144 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.373 7.183 -3.631 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.273 4.152 -4.749 1.00 0.00 C ATOM 0 H ILE A 63 0.227 5.061 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.347 6.650 -1.524 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.392 6.496 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.308 5.040 -4.922 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.565 4.168 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.200 7.360 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.682 8.113 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.547 6.826 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.973 3.225 -5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.992 3.931 -3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.732 4.816 -5.482 1.00 0.00 H new ATOM 930 N GLU A 64 -3.758 4.574 -1.775 1.00 0.00 N ATOM 931 CA GLU A 64 -4.534 3.314 -1.605 1.00 0.00 C ATOM 932 C GLU A 64 -5.166 2.930 -2.944 1.00 0.00 C ATOM 933 O GLU A 64 -5.224 3.726 -3.859 1.00 0.00 O ATOM 934 CB GLU A 64 -5.612 3.642 -0.572 1.00 0.00 C ATOM 935 CG GLU A 64 -4.992 4.427 0.586 1.00 0.00 C ATOM 936 CD GLU A 64 -5.271 3.700 1.902 1.00 0.00 C ATOM 937 OE1 GLU A 64 -5.440 2.492 1.865 1.00 0.00 O ATOM 938 OE2 GLU A 64 -5.311 4.363 2.925 1.00 0.00 O ATOM 0 H GLU A 64 -4.320 5.417 -1.888 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.916 2.477 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.408 4.225 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.065 2.723 -0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.917 4.530 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.407 5.434 0.620 1.00 0.00 H new ATOM 945 N PHE A 65 -5.634 1.720 -3.078 1.00 0.00 N ATOM 946 CA PHE A 65 -6.250 1.316 -4.372 1.00 0.00 C ATOM 947 C PHE A 65 -7.187 2.416 -4.878 1.00 0.00 C ATOM 948 O PHE A 65 -6.896 3.091 -5.843 1.00 0.00 O ATOM 949 CB PHE A 65 -7.041 0.044 -4.077 1.00 0.00 C ATOM 950 CG PHE A 65 -7.899 -0.266 -5.276 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.295 -0.582 -6.498 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.293 -0.218 -5.174 1.00 0.00 C ATOM 953 CE1 PHE A 65 -8.083 -0.849 -7.619 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.083 -0.489 -6.297 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.478 -0.803 -7.518 1.00 0.00 C ATOM 0 H PHE A 65 -5.617 1.000 -2.355 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.496 1.151 -5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.364 -0.785 -3.869 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.661 0.179 -3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.218 -0.619 -6.574 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.759 0.028 -4.231 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.617 -1.091 -8.563 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.160 -0.456 -6.221 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.088 -1.010 -8.385 1.00 0.00 H new ATOM 965 N SER A 66 -8.313 2.587 -4.234 1.00 0.00 N ATOM 966 CA SER A 66 -9.287 3.636 -4.664 1.00 0.00 C ATOM 967 C SER A 66 -8.557 4.878 -5.189 1.00 0.00 C ATOM 968 O SER A 66 -8.981 5.496 -6.146 1.00 0.00 O ATOM 969 CB SER A 66 -10.079 3.978 -3.404 1.00 0.00 C ATOM 970 OG SER A 66 -10.949 5.069 -3.677 1.00 0.00 O ATOM 0 H SER A 66 -8.602 2.041 -3.422 1.00 0.00 H new ATOM 0 HA SER A 66 -9.927 3.287 -5.474 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.655 3.112 -3.076 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.399 4.235 -2.592 1.00 0.00 H new ATOM 0 HG SER A 66 -11.460 5.290 -2.870 1.00 0.00 H new ATOM 976 N GLU A 67 -7.460 5.245 -4.582 1.00 0.00 N ATOM 977 CA GLU A 67 -6.712 6.439 -5.069 1.00 0.00 C ATOM 978 C GLU A 67 -6.101 6.127 -6.436 1.00 0.00 C ATOM 979 O GLU A 67 -6.142 6.929 -7.347 1.00 0.00 O ATOM 980 CB GLU A 67 -5.625 6.686 -4.025 1.00 0.00 C ATOM 981 CG GLU A 67 -6.261 6.755 -2.636 1.00 0.00 C ATOM 982 CD GLU A 67 -5.316 7.478 -1.674 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.288 7.953 -2.130 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.635 7.546 -0.499 1.00 0.00 O ATOM 0 H GLU A 67 -7.052 4.773 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.347 7.317 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.885 5.887 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.100 7.616 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.215 7.280 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.469 5.750 -2.270 1.00 0.00 H new ATOM 991 N PHE A 68 -5.554 4.952 -6.586 1.00 0.00 N ATOM 992 CA PHE A 68 -4.960 4.565 -7.895 1.00 0.00 C ATOM 993 C PHE A 68 -6.025 4.696 -8.989 1.00 0.00 C ATOM 994 O PHE A 68 -5.737 5.055 -10.113 1.00 0.00 O ATOM 995 CB PHE A 68 -4.532 3.103 -7.703 1.00 0.00 C ATOM 996 CG PHE A 68 -4.507 2.381 -9.031 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.848 2.947 -10.128 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.142 1.139 -9.161 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.822 2.271 -11.355 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -5.117 0.465 -10.387 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.457 1.030 -11.483 1.00 0.00 C ATOM 0 H PHE A 68 -5.493 4.242 -5.856 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.119 5.191 -8.195 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.545 3.064 -7.242 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.221 2.602 -7.023 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.359 3.905 -10.029 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.651 0.702 -8.315 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.312 2.707 -12.201 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.608 -0.492 -10.487 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.437 0.509 -12.429 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.257 4.418 -8.658 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.347 4.536 -9.665 1.00 0.00 C ATOM 1013 C LEU A 69 -8.597 6.012 -9.982 1.00 0.00 C ATOM 1014 O LEU A 69 -8.855 6.383 -11.110 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.575 3.917 -8.995 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.618 2.415 -9.285 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.903 2.188 -10.769 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.271 1.787 -8.924 1.00 0.00 C ATOM 0 H LEU A 69 -7.555 4.114 -7.731 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.105 4.038 -10.604 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.540 4.089 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.482 4.395 -9.364 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.406 1.954 -8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.933 1.118 -10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.863 2.634 -11.028 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.116 2.650 -11.365 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.301 0.717 -9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.483 2.249 -9.519 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.067 1.947 -7.865 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.519 6.855 -8.990 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.747 8.310 -9.222 1.00 0.00 C ATOM 1032 C ALA A 70 -7.730 8.845 -10.233 1.00 0.00 C ATOM 1033 O ALA A 70 -8.072 9.563 -11.153 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.542 8.963 -7.854 1.00 0.00 C ATOM 0 H ALA A 70 -8.307 6.599 -8.026 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.737 8.518 -9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.692 10.039 -7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.258 8.551 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.529 8.765 -7.504 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.481 8.500 -10.072 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.443 8.985 -11.025 1.00 0.00 C ATOM 1042 C LEU A 71 -5.376 8.065 -12.246 1.00 0.00 C ATOM 1043 O LEU A 71 -4.955 8.464 -13.314 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.131 8.933 -10.242 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.232 10.095 -10.666 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -3.184 10.176 -12.194 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -3.794 11.404 -10.105 1.00 0.00 C ATOM 0 H LEU A 71 -6.135 7.903 -9.321 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.657 9.988 -11.394 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.332 8.988 -9.172 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.625 7.984 -10.423 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.226 9.934 -10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.543 11.005 -12.494 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.785 9.244 -12.595 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.190 10.337 -12.582 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.154 12.233 -10.406 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.801 11.563 -10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.828 11.349 -9.017 1.00 0.00 H new ATOM 1059 N MET A 72 -5.788 6.836 -12.097 1.00 0.00 N ATOM 1060 CA MET A 72 -5.747 5.890 -13.249 1.00 0.00 C ATOM 1061 C MET A 72 -6.927 6.150 -14.189 1.00 0.00 C ATOM 1062 O MET A 72 -6.758 6.606 -15.303 1.00 0.00 O ATOM 1063 CB MET A 72 -5.857 4.499 -12.624 1.00 0.00 C ATOM 1064 CG MET A 72 -5.946 3.447 -13.731 1.00 0.00 C ATOM 1065 SD MET A 72 -4.549 3.645 -14.865 1.00 0.00 S ATOM 1066 CE MET A 72 -3.853 1.988 -14.659 1.00 0.00 C ATOM 0 H MET A 72 -6.151 6.446 -11.228 1.00 0.00 H new ATOM 0 HA MET A 72 -4.839 6.000 -13.841 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.991 4.304 -11.991 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.738 4.445 -11.985 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.938 2.447 -13.298 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.886 3.552 -14.273 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.919 2.052 -14.100 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.560 1.362 -14.114 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.660 1.550 -15.638 1.00 0.00 H new