USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 882 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 84 SER OG : rot 119:sc= -0.749 USER MOD Set 1.2: A 109 TYR OH : rot 30:sc= 0.459 USER MOD Set 2.1: A 50 HIS : no HD1:sc= -3.94 K(o=-3.6,f=-7.8!) USER MOD Set 2.2: A 132 LYS NZ :NH3+ -139:sc= 0.366 (180deg=-1.1) USER MOD Single : A 44 HIS : no HE2:sc= -37.3! C(o=-37!,f=-33!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0793 USER MOD Single : A 46 SER OG : rot -90:sc= -0.361 USER MOD Single : A 48 GLN : amide:sc= -0.94 K(o=-0.94,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= -0.0945 (180deg=-0.723) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 65 ASN : amide:sc= -0.719 K(o=-0.72,f=-2.3) USER MOD Single : A 74 MET CE :methyl 151:sc= -0.6 (180deg=-1.12) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -88:sc= 1.18 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= -0.0749 (180deg=-0.637) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0854 USER MOD Single : A 89 GLN : amide:sc= -18.9! C(o=-19!,f=-27!) USER MOD Single : A 96 GLN : amide:sc= -0.338 X(o=-0.34,f=0.0031) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.81 K(o=-1.8,f=-7.5!) USER MOD Single : A 112 GLN : amide:sc= -5.12! C(o=-5.1!,f=-5.2!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.164) USER MOD Single : A 125 LYS NZ :NH3+ 159:sc= -1.62 (180deg=-2.74!) USER MOD Single : A 127 LYS NZ :NH3+ 154:sc= 0.477 (180deg=0.209) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot -74:sc= 1.15 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 69:sc= -0.0623 USER MOD Single : A 139 HIS : no HD1:sc= -2.31 K(o=-2.3,f=-1.3) USER MOD Single : A 140 CYS SG : rot 51:sc= 0.192 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 57:sc= 0.566 USER MOD Single : A 148 LYS NZ :NH3+ 156:sc= -0.116 (180deg=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 40 3.439 10.640 3.577 1.00 0.00 N ATOM 2 CA PHE A 40 2.799 9.343 3.818 1.00 0.00 C ATOM 3 C PHE A 40 1.452 9.107 3.086 1.00 0.00 C ATOM 4 O PHE A 40 0.404 8.872 3.650 1.00 0.00 O ATOM 5 CB PHE A 40 2.676 9.255 5.277 1.00 0.00 C ATOM 6 CG PHE A 40 2.865 7.816 5.667 1.00 0.00 C ATOM 7 CD1 PHE A 40 4.157 7.370 5.855 1.00 0.00 C ATOM 8 CD2 PHE A 40 1.791 6.989 5.810 1.00 0.00 C ATOM 9 CE1 PHE A 40 4.406 6.035 6.204 1.00 0.00 C ATOM 10 CE2 PHE A 40 1.980 5.682 6.151 1.00 0.00 C ATOM 11 CZ PHE A 40 3.286 5.199 6.352 1.00 0.00 C ATOM 0 HA PHE A 40 3.410 8.546 3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.423 9.884 5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.699 9.613 5.600 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.983 8.055 5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.792 7.368 5.654 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.410 5.667 6.352 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.133 5.022 6.266 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.431 4.164 6.626 1.00 0.00 H new ATOM 21 N ARG A 41 1.599 9.195 1.791 1.00 0.00 N ATOM 22 CA ARG A 41 0.540 9.019 0.761 1.00 0.00 C ATOM 23 C ARG A 41 0.692 7.736 -0.066 1.00 0.00 C ATOM 24 O ARG A 41 1.123 6.697 0.372 1.00 0.00 O ATOM 25 CB ARG A 41 0.615 10.292 -0.076 1.00 0.00 C ATOM 26 CG ARG A 41 0.346 11.483 0.839 1.00 0.00 C ATOM 27 CD ARG A 41 0.391 12.754 -0.003 1.00 0.00 C ATOM 28 NE ARG A 41 0.133 13.907 0.901 1.00 0.00 N ATOM 29 CZ ARG A 41 1.050 14.823 1.038 1.00 0.00 C ATOM 30 NH1 ARG A 41 2.141 14.528 1.690 1.00 0.00 N ATOM 31 NH2 ARG A 41 0.843 16.002 0.519 1.00 0.00 N ATOM 0 H ARG A 41 2.506 9.403 1.374 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.443 8.886 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.597 10.384 -0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.117 10.260 -0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.627 11.380 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.091 11.527 1.633 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.362 12.858 -0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.357 12.714 -0.795 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.750 13.980 1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.264 13.594 2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.870 15.231 1.808 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.024 16.193 0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.548 16.733 0.615 1.00 0.00 H new ATOM 45 N ARG A 42 0.325 7.831 -1.288 1.00 0.00 N ATOM 46 CA ARG A 42 0.432 6.624 -2.173 1.00 0.00 C ATOM 47 C ARG A 42 1.813 6.391 -2.758 1.00 0.00 C ATOM 48 O ARG A 42 2.309 7.128 -3.587 1.00 0.00 O ATOM 49 CB ARG A 42 -0.485 6.755 -3.296 1.00 0.00 C ATOM 50 CG ARG A 42 -0.276 8.141 -3.916 1.00 0.00 C ATOM 51 CD ARG A 42 -1.415 9.062 -3.503 1.00 0.00 C ATOM 52 NE ARG A 42 -1.187 10.391 -4.134 1.00 0.00 N ATOM 53 CZ ARG A 42 -1.101 11.446 -3.374 1.00 0.00 C ATOM 54 NH1 ARG A 42 -2.084 11.713 -2.559 1.00 0.00 N ATOM 55 NH2 ARG A 42 -0.036 12.197 -3.452 1.00 0.00 N ATOM 0 H ARG A 42 -0.044 8.673 -1.730 1.00 0.00 H new ATOM 0 HA ARG A 42 0.194 5.779 -1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.298 5.975 -4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.516 6.638 -2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.677 8.556 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.234 8.062 -5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.373 8.649 -3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.453 9.157 -2.418 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.099 10.475 -5.147 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.899 11.101 -2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.037 12.534 -1.955 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.713 11.954 -4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.047 13.026 -2.864 1.00 0.00 H new ATOM 69 N ASP A 43 2.364 5.310 -2.252 1.00 0.00 N ATOM 70 CA ASP A 43 3.742 4.858 -2.634 1.00 0.00 C ATOM 71 C ASP A 43 4.287 6.159 -2.144 1.00 0.00 C ATOM 72 O ASP A 43 5.126 6.811 -2.734 1.00 0.00 O ATOM 73 CB ASP A 43 3.898 4.697 -4.160 1.00 0.00 C ATOM 74 CG ASP A 43 5.392 4.534 -4.444 1.00 0.00 C ATOM 75 OD1 ASP A 43 6.012 3.836 -3.661 1.00 0.00 O ATOM 76 OD2 ASP A 43 5.825 5.115 -5.423 1.00 0.00 O ATOM 0 H ASP A 43 1.902 4.707 -1.572 1.00 0.00 H new ATOM 0 HA ASP A 43 4.143 3.911 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.341 3.830 -4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.499 5.567 -4.682 1.00 0.00 H new ATOM 81 N HIS A 44 3.704 6.438 -1.006 1.00 0.00 N ATOM 82 CA HIS A 44 3.981 7.664 -0.279 1.00 0.00 C ATOM 83 C HIS A 44 5.160 8.534 -0.606 1.00 0.00 C ATOM 84 O HIS A 44 5.149 9.394 -1.464 1.00 0.00 O ATOM 85 CB HIS A 44 4.080 7.522 1.267 1.00 0.00 C ATOM 86 CG HIS A 44 3.747 6.492 2.188 1.00 0.00 C ATOM 87 ND1 HIS A 44 4.740 6.049 2.841 1.00 0.00 N ATOM 88 CD2 HIS A 44 2.607 5.872 2.633 1.00 0.00 C ATOM 89 CE1 HIS A 44 4.303 5.201 3.661 1.00 0.00 C ATOM 90 NE2 HIS A 44 2.991 5.044 3.584 1.00 0.00 N ATOM 0 H HIS A 44 3.024 5.827 -0.553 1.00 0.00 H new ATOM 0 HA HIS A 44 3.081 8.151 -0.655 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.133 7.714 1.472 1.00 0.00 H new ATOM 0 HB3 HIS A 44 3.522 8.382 1.636 1.00 0.00 H new ATOM 0 HD1 HIS A 44 5.714 6.329 2.723 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.600 6.030 2.277 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.931 4.659 4.353 1.00 0.00 H new ATOM 98 N THR A 45 6.133 8.221 0.146 1.00 0.00 N ATOM 99 CA THR A 45 7.455 8.882 0.099 1.00 0.00 C ATOM 100 C THR A 45 8.598 7.950 -0.122 1.00 0.00 C ATOM 101 O THR A 45 8.425 6.750 -0.190 1.00 0.00 O ATOM 102 CB THR A 45 7.676 9.607 1.383 1.00 0.00 C ATOM 103 OG1 THR A 45 7.194 8.736 2.394 1.00 0.00 O ATOM 104 CG2 THR A 45 6.815 10.822 1.377 1.00 0.00 C ATOM 0 H THR A 45 6.075 7.482 0.847 1.00 0.00 H new ATOM 0 HA THR A 45 7.431 9.556 -0.758 1.00 0.00 H new ATOM 0 HB THR A 45 8.719 9.885 1.532 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.313 9.156 3.271 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.957 11.373 2.307 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.087 11.457 0.534 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.770 10.527 1.286 1.00 0.00 H new ATOM 112 N SER A 46 9.715 8.620 -0.227 1.00 0.00 N ATOM 113 CA SER A 46 11.042 7.988 -0.447 1.00 0.00 C ATOM 114 C SER A 46 11.300 7.941 -1.934 1.00 0.00 C ATOM 115 O SER A 46 10.933 6.994 -2.588 1.00 0.00 O ATOM 116 CB SER A 46 11.093 6.553 0.109 1.00 0.00 C ATOM 117 OG SER A 46 10.698 6.703 1.463 1.00 0.00 O ATOM 0 H SER A 46 9.757 9.637 -0.165 1.00 0.00 H new ATOM 0 HA SER A 46 11.797 8.577 0.074 1.00 0.00 H new ATOM 0 HB2 SER A 46 10.420 5.889 -0.433 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.093 6.128 0.028 1.00 0.00 H new ATOM 0 HG SER A 46 11.489 6.862 2.019 1.00 0.00 H new ATOM 123 N ASP A 47 11.913 8.960 -2.451 1.00 0.00 N ATOM 124 CA ASP A 47 12.195 8.956 -3.915 1.00 0.00 C ATOM 125 C ASP A 47 13.656 8.549 -4.042 1.00 0.00 C ATOM 126 O ASP A 47 14.039 7.813 -4.930 1.00 0.00 O ATOM 127 CB ASP A 47 11.962 10.363 -4.472 1.00 0.00 C ATOM 128 CG ASP A 47 12.167 10.364 -5.991 1.00 0.00 C ATOM 129 OD1 ASP A 47 13.306 10.201 -6.400 1.00 0.00 O ATOM 130 OD2 ASP A 47 11.161 10.528 -6.659 1.00 0.00 O ATOM 0 H ASP A 47 12.228 9.784 -1.939 1.00 0.00 H new ATOM 0 HA ASP A 47 11.551 8.275 -4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.952 10.696 -4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.649 11.067 -4.003 1.00 0.00 H new ATOM 135 N GLN A 48 14.429 9.060 -3.127 1.00 0.00 N ATOM 136 CA GLN A 48 15.842 8.819 -3.029 1.00 0.00 C ATOM 137 C GLN A 48 16.007 7.317 -2.901 1.00 0.00 C ATOM 138 O GLN A 48 16.940 6.703 -3.375 1.00 0.00 O ATOM 139 CB GLN A 48 16.241 9.651 -1.833 1.00 0.00 C ATOM 140 CG GLN A 48 17.277 8.914 -1.092 1.00 0.00 C ATOM 141 CD GLN A 48 17.861 9.762 0.043 1.00 0.00 C ATOM 142 OE1 GLN A 48 18.743 9.329 0.757 1.00 0.00 O ATOM 143 NE2 GLN A 48 17.407 10.968 0.248 1.00 0.00 N ATOM 0 H GLN A 48 14.078 9.682 -2.398 1.00 0.00 H new ATOM 0 HA GLN A 48 16.477 9.102 -3.869 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.619 10.622 -2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.378 9.840 -1.195 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.851 7.998 -0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 48 18.074 8.618 -1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.666 11.342 -0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.793 11.537 1.002 1.00 0.00 H new ATOM 152 N LEU A 49 15.066 6.736 -2.228 1.00 0.00 N ATOM 153 CA LEU A 49 15.129 5.303 -2.053 1.00 0.00 C ATOM 154 C LEU A 49 14.688 4.657 -3.296 1.00 0.00 C ATOM 155 O LEU A 49 15.274 3.725 -3.743 1.00 0.00 O ATOM 156 CB LEU A 49 14.254 5.004 -1.078 1.00 0.00 C ATOM 157 CG LEU A 49 13.913 3.545 -1.175 1.00 0.00 C ATOM 158 CD1 LEU A 49 13.565 3.420 0.093 1.00 0.00 C ATOM 159 CD2 LEU A 49 12.574 3.253 -1.865 1.00 0.00 C ATOM 0 H LEU A 49 14.267 7.203 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 49 16.137 4.969 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.683 5.229 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.354 5.611 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 49 14.689 2.958 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.259 2.392 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.413 3.672 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.735 4.092 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.406 2.176 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.767 3.732 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.596 3.643 -2.883 1.00 0.00 H new ATOM 171 N HIS A 50 13.632 5.114 -3.853 1.00 0.00 N ATOM 172 CA HIS A 50 13.205 4.463 -5.110 1.00 0.00 C ATOM 173 C HIS A 50 14.414 4.366 -6.004 1.00 0.00 C ATOM 174 O HIS A 50 14.565 3.434 -6.770 1.00 0.00 O ATOM 175 CB HIS A 50 12.083 5.290 -5.694 1.00 0.00 C ATOM 176 CG HIS A 50 10.824 4.691 -5.133 1.00 0.00 C ATOM 177 ND1 HIS A 50 9.819 4.186 -5.761 1.00 0.00 N ATOM 178 CD2 HIS A 50 10.522 4.569 -3.828 1.00 0.00 C ATOM 179 CE1 HIS A 50 8.948 3.776 -4.894 1.00 0.00 C ATOM 180 NE2 HIS A 50 9.347 3.995 -3.663 1.00 0.00 N ATOM 0 H HIS A 50 13.054 5.884 -3.516 1.00 0.00 H new ATOM 0 HA HIS A 50 12.823 3.452 -4.968 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.179 6.339 -5.414 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.088 5.249 -6.783 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.159 4.898 -3.021 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.008 3.311 -5.153 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.865 3.775 -2.791 1.00 0.00 H new ATOM 188 N ALA A 51 15.251 5.356 -5.869 1.00 0.00 N ATOM 189 CA ALA A 51 16.456 5.362 -6.669 1.00 0.00 C ATOM 190 C ALA A 51 17.291 4.176 -6.134 1.00 0.00 C ATOM 191 O ALA A 51 17.867 3.438 -6.907 1.00 0.00 O ATOM 192 CB ALA A 51 17.152 6.683 -6.470 1.00 0.00 C ATOM 0 H ALA A 51 15.134 6.148 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 51 16.281 5.252 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 51 18.064 6.707 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.493 7.492 -6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 51 17.403 6.807 -5.417 1.00 0.00 H new ATOM 198 N GLU A 52 17.339 4.014 -4.828 1.00 0.00 N ATOM 199 CA GLU A 52 18.108 2.903 -4.237 1.00 0.00 C ATOM 200 C GLU A 52 17.387 1.537 -4.425 1.00 0.00 C ATOM 201 O GLU A 52 17.884 0.657 -5.099 1.00 0.00 O ATOM 202 CB GLU A 52 18.300 3.166 -2.744 1.00 0.00 C ATOM 203 CG GLU A 52 19.210 2.070 -2.187 1.00 0.00 C ATOM 204 CD GLU A 52 19.355 2.228 -0.672 1.00 0.00 C ATOM 205 OE1 GLU A 52 19.728 3.317 -0.272 1.00 0.00 O ATOM 206 OE2 GLU A 52 19.083 1.244 -0.004 1.00 0.00 O ATOM 0 H GLU A 52 16.869 4.618 -4.153 1.00 0.00 H new ATOM 0 HA GLU A 52 19.070 2.850 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.744 4.149 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.339 3.162 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 52 18.796 1.089 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 52 20.190 2.124 -2.662 1.00 0.00 H new ATOM 213 N PHE A 53 16.242 1.445 -3.790 1.00 0.00 N ATOM 214 CA PHE A 53 15.287 0.328 -3.738 1.00 0.00 C ATOM 215 C PHE A 53 15.324 -0.522 -4.942 1.00 0.00 C ATOM 216 O PHE A 53 15.276 -1.735 -4.886 1.00 0.00 O ATOM 217 CB PHE A 53 13.959 0.913 -3.554 1.00 0.00 C ATOM 218 CG PHE A 53 13.290 0.022 -2.616 1.00 0.00 C ATOM 219 CD1 PHE A 53 13.550 0.149 -1.301 1.00 0.00 C ATOM 220 CD2 PHE A 53 12.504 -0.973 -3.056 1.00 0.00 C ATOM 221 CE1 PHE A 53 13.043 -0.728 -0.433 1.00 0.00 C ATOM 222 CE2 PHE A 53 11.999 -1.858 -2.236 1.00 0.00 C ATOM 223 CZ PHE A 53 12.285 -1.731 -0.878 1.00 0.00 C ATOM 0 H PHE A 53 15.907 2.230 -3.231 1.00 0.00 H new ATOM 0 HA PHE A 53 15.552 -0.334 -2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 53 14.024 1.927 -3.159 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.418 0.973 -4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 53 14.169 0.961 -0.949 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.284 -1.044 -4.111 1.00 0.00 H new ATOM 0 HE1 PHE A 53 13.245 -0.626 0.623 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.379 -2.663 -2.601 1.00 0.00 H new ATOM 0 HZ PHE A 53 11.889 -2.452 -0.179 1.00 0.00 H new ATOM 233 N ASP A 54 15.400 0.263 -5.970 1.00 0.00 N ATOM 234 CA ASP A 54 15.453 -0.243 -7.361 1.00 0.00 C ATOM 235 C ASP A 54 15.782 -1.744 -7.429 1.00 0.00 C ATOM 236 O ASP A 54 14.935 -2.525 -7.809 1.00 0.00 O ATOM 237 CB ASP A 54 16.477 0.635 -8.050 1.00 0.00 C ATOM 238 CG ASP A 54 16.822 0.109 -9.446 1.00 0.00 C ATOM 239 OD1 ASP A 54 17.586 -0.841 -9.518 1.00 0.00 O ATOM 240 OD2 ASP A 54 16.288 0.698 -10.372 1.00 0.00 O ATOM 0 H ASP A 54 15.429 1.280 -5.899 1.00 0.00 H new ATOM 0 HA ASP A 54 14.486 -0.181 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.092 1.652 -8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 54 17.382 0.683 -7.445 1.00 0.00 H new ATOM 245 N GLY A 55 16.978 -2.140 -7.069 1.00 0.00 N ATOM 246 CA GLY A 55 17.275 -3.606 -7.141 1.00 0.00 C ATOM 247 C GLY A 55 18.425 -4.128 -6.256 1.00 0.00 C ATOM 248 O GLY A 55 19.326 -4.745 -6.792 1.00 0.00 O ATOM 0 H GLY A 55 17.735 -1.540 -6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.368 -4.149 -6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.504 -3.856 -8.177 1.00 0.00 H new ATOM 252 N LYS A 56 18.410 -3.902 -4.965 1.00 0.00 N ATOM 253 CA LYS A 56 19.538 -4.425 -4.126 1.00 0.00 C ATOM 254 C LYS A 56 19.075 -5.221 -2.887 1.00 0.00 C ATOM 255 O LYS A 56 17.912 -5.527 -2.715 1.00 0.00 O ATOM 256 CB LYS A 56 20.407 -3.237 -3.684 1.00 0.00 C ATOM 257 CG LYS A 56 19.522 -2.247 -2.951 1.00 0.00 C ATOM 258 CD LYS A 56 20.383 -1.333 -2.076 1.00 0.00 C ATOM 259 CE LYS A 56 21.332 -0.506 -2.948 1.00 0.00 C ATOM 260 NZ LYS A 56 22.104 0.428 -2.084 1.00 0.00 N ATOM 0 H LYS A 56 17.684 -3.390 -4.463 1.00 0.00 H new ATOM 0 HA LYS A 56 20.101 -5.127 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.214 -3.577 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.871 -2.763 -4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 56 18.955 -1.652 -3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 56 18.798 -2.779 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 56 19.745 -0.671 -1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.956 -1.931 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.011 -1.163 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 56 20.766 0.053 -3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 22.383 1.263 -2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 21.514 0.726 -1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.956 -0.052 -1.728 1.00 0.00 H new ATOM 274 N GLU A 57 20.057 -5.523 -2.080 1.00 0.00 N ATOM 275 CA GLU A 57 19.929 -6.289 -0.797 1.00 0.00 C ATOM 276 C GLU A 57 18.632 -6.232 0.027 1.00 0.00 C ATOM 277 O GLU A 57 18.472 -5.367 0.857 1.00 0.00 O ATOM 278 CB GLU A 57 21.048 -5.881 0.081 1.00 0.00 C ATOM 279 CG GLU A 57 22.375 -6.595 -0.269 1.00 0.00 C ATOM 280 CD GLU A 57 22.825 -6.295 -1.704 1.00 0.00 C ATOM 281 OE1 GLU A 57 22.342 -6.982 -2.590 1.00 0.00 O ATOM 282 OE2 GLU A 57 23.629 -5.386 -1.829 1.00 0.00 O ATOM 0 H GLU A 57 21.019 -5.247 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 57 19.931 -7.323 -1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 57 21.190 -4.803 0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 57 20.788 -6.096 1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 57 23.151 -6.280 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 57 22.252 -7.671 -0.145 1.00 0.00 H new ATOM 289 N ASN A 58 17.736 -7.147 -0.218 1.00 0.00 N ATOM 290 CA ASN A 58 16.432 -7.243 0.486 1.00 0.00 C ATOM 291 C ASN A 58 16.387 -6.747 1.925 1.00 0.00 C ATOM 292 O ASN A 58 15.624 -5.914 2.359 1.00 0.00 O ATOM 293 CB ASN A 58 16.049 -8.645 0.482 1.00 0.00 C ATOM 294 CG ASN A 58 15.354 -9.009 -0.832 1.00 0.00 C ATOM 295 OD1 ASN A 58 14.290 -8.515 -1.148 1.00 0.00 O ATOM 296 ND2 ASN A 58 15.929 -9.872 -1.625 1.00 0.00 N ATOM 0 H ASN A 58 17.868 -7.874 -0.922 1.00 0.00 H new ATOM 0 HA ASN A 58 15.757 -6.580 -0.055 1.00 0.00 H new ATOM 0 HB2 ASN A 58 16.932 -9.269 0.618 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.383 -8.848 1.321 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.485 -10.129 -2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.822 -10.289 -1.363 1.00 0.00 H new ATOM 303 N GLU A 59 17.298 -7.390 2.569 1.00 0.00 N ATOM 304 CA GLU A 59 17.668 -7.299 3.987 1.00 0.00 C ATOM 305 C GLU A 59 17.520 -5.913 4.526 1.00 0.00 C ATOM 306 O GLU A 59 16.913 -5.564 5.517 1.00 0.00 O ATOM 307 CB GLU A 59 19.054 -7.733 4.009 1.00 0.00 C ATOM 308 CG GLU A 59 19.484 -8.222 5.388 1.00 0.00 C ATOM 309 CD GLU A 59 20.953 -8.638 5.319 1.00 0.00 C ATOM 310 OE1 GLU A 59 21.747 -7.763 5.011 1.00 0.00 O ATOM 311 OE2 GLU A 59 21.197 -9.805 5.577 1.00 0.00 O ATOM 0 H GLU A 59 17.880 -8.074 2.085 1.00 0.00 H new ATOM 0 HA GLU A 59 17.021 -7.907 4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.194 -8.533 3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.696 -6.908 3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 59 19.348 -7.434 6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 59 18.866 -9.064 5.701 1.00 0.00 H new ATOM 318 N GLU A 60 18.200 -5.214 3.696 1.00 0.00 N ATOM 319 CA GLU A 60 18.428 -3.809 3.717 1.00 0.00 C ATOM 320 C GLU A 60 17.183 -3.044 3.400 1.00 0.00 C ATOM 321 O GLU A 60 16.804 -2.145 4.111 1.00 0.00 O ATOM 322 CB GLU A 60 19.507 -3.630 2.731 1.00 0.00 C ATOM 323 CG GLU A 60 20.392 -2.618 3.255 1.00 0.00 C ATOM 324 CD GLU A 60 19.658 -1.273 3.361 1.00 0.00 C ATOM 325 OE1 GLU A 60 19.287 -0.779 2.307 1.00 0.00 O ATOM 326 OE2 GLU A 60 19.503 -0.821 4.483 1.00 0.00 O ATOM 0 H GLU A 60 18.661 -5.654 2.900 1.00 0.00 H new ATOM 0 HA GLU A 60 18.712 -3.423 4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 60 20.043 -4.566 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.101 -3.326 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.759 -2.918 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 60 21.262 -2.515 2.607 1.00 0.00 H new ATOM 333 N LEU A 61 16.581 -3.438 2.322 1.00 0.00 N ATOM 334 CA LEU A 61 15.351 -2.801 1.864 1.00 0.00 C ATOM 335 C LEU A 61 14.314 -2.767 2.938 1.00 0.00 C ATOM 336 O LEU A 61 13.406 -1.965 2.984 1.00 0.00 O ATOM 337 CB LEU A 61 14.732 -3.495 0.656 1.00 0.00 C ATOM 338 CG LEU A 61 15.404 -3.015 -0.637 1.00 0.00 C ATOM 339 CD1 LEU A 61 15.875 -1.553 -0.568 1.00 0.00 C ATOM 340 CD2 LEU A 61 16.657 -3.755 -0.731 1.00 0.00 C ATOM 0 H LEU A 61 16.910 -4.200 1.729 1.00 0.00 H new ATOM 0 HA LEU A 61 15.650 -1.791 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.843 -4.575 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.663 -3.287 0.617 1.00 0.00 H new ATOM 0 HG LEU A 61 14.687 -3.144 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.341 -1.276 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.020 -0.904 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.598 -1.442 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.188 -3.458 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.275 -3.537 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.446 -4.824 -0.768 1.00 0.00 H new ATOM 352 N GLU A 62 14.505 -3.723 3.774 1.00 0.00 N ATOM 353 CA GLU A 62 13.676 -3.957 4.902 1.00 0.00 C ATOM 354 C GLU A 62 14.071 -3.123 6.109 1.00 0.00 C ATOM 355 O GLU A 62 13.287 -2.553 6.835 1.00 0.00 O ATOM 356 CB GLU A 62 13.856 -5.361 5.095 1.00 0.00 C ATOM 357 CG GLU A 62 13.007 -6.148 4.159 1.00 0.00 C ATOM 358 CD GLU A 62 11.537 -5.744 4.245 1.00 0.00 C ATOM 359 OE1 GLU A 62 10.993 -5.865 5.331 1.00 0.00 O ATOM 360 OE2 GLU A 62 11.048 -5.336 3.204 1.00 0.00 O ATOM 0 H GLU A 62 15.272 -4.390 3.688 1.00 0.00 H new ATOM 0 HA GLU A 62 12.635 -3.668 4.757 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.904 -5.620 4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.608 -5.624 6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.363 -6.005 3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.105 -7.210 4.385 1.00 0.00 H new ATOM 367 N ALA A 63 15.349 -3.127 6.256 1.00 0.00 N ATOM 368 CA ALA A 63 16.053 -2.428 7.312 1.00 0.00 C ATOM 369 C ALA A 63 15.756 -0.949 7.231 1.00 0.00 C ATOM 370 O ALA A 63 15.611 -0.278 8.233 1.00 0.00 O ATOM 371 CB ALA A 63 17.527 -2.684 7.143 1.00 0.00 C ATOM 0 H ALA A 63 15.972 -3.633 5.627 1.00 0.00 H new ATOM 0 HA ALA A 63 15.729 -2.785 8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.078 -2.167 7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.720 -3.755 7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.851 -2.316 6.169 1.00 0.00 H new ATOM 377 N LEU A 64 15.675 -0.505 6.003 1.00 0.00 N ATOM 378 CA LEU A 64 15.411 0.888 5.706 1.00 0.00 C ATOM 379 C LEU A 64 14.006 1.269 5.370 1.00 0.00 C ATOM 380 O LEU A 64 13.582 2.407 5.414 1.00 0.00 O ATOM 381 CB LEU A 64 16.440 1.305 4.606 1.00 0.00 C ATOM 382 CG LEU A 64 16.347 0.729 3.177 1.00 0.00 C ATOM 383 CD1 LEU A 64 14.979 0.341 2.821 1.00 0.00 C ATOM 384 CD2 LEU A 64 16.849 1.754 2.164 1.00 0.00 C ATOM 0 H LEU A 64 15.789 -1.094 5.178 1.00 0.00 H new ATOM 0 HA LEU A 64 15.539 1.450 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.392 2.390 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 64 17.432 1.060 4.986 1.00 0.00 H new ATOM 0 HG LEU A 64 16.970 -0.165 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 64 14.966 -0.058 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.625 -0.421 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 64 14.327 1.213 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.779 1.337 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 64 16.240 2.656 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.888 2.002 2.382 1.00 0.00 H new ATOM 396 N ASN A 65 13.402 0.191 5.038 1.00 0.00 N ATOM 397 CA ASN A 65 11.987 0.101 4.596 1.00 0.00 C ATOM 398 C ASN A 65 11.067 1.280 4.857 1.00 0.00 C ATOM 399 O ASN A 65 11.069 2.002 5.835 1.00 0.00 O ATOM 400 CB ASN A 65 11.288 -1.078 5.228 1.00 0.00 C ATOM 401 CG ASN A 65 11.013 -0.742 6.697 1.00 0.00 C ATOM 402 OD1 ASN A 65 11.901 -0.407 7.454 1.00 0.00 O ATOM 403 ND2 ASN A 65 9.786 -0.820 7.136 1.00 0.00 N ATOM 0 H ASN A 65 13.867 -0.717 5.054 1.00 0.00 H new ATOM 0 HA ASN A 65 12.128 0.033 3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.355 -1.291 4.706 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.907 -1.972 5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.578 -0.600 8.110 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.035 -1.101 6.505 1.00 0.00 H new ATOM 410 N ILE A 66 10.277 1.346 3.835 1.00 0.00 N ATOM 411 CA ILE A 66 9.202 2.340 3.618 1.00 0.00 C ATOM 412 C ILE A 66 7.982 1.455 3.662 1.00 0.00 C ATOM 413 O ILE A 66 7.903 0.409 3.043 1.00 0.00 O ATOM 414 CB ILE A 66 9.426 2.903 2.281 1.00 0.00 C ATOM 415 CG1 ILE A 66 10.955 2.894 1.802 1.00 0.00 C ATOM 416 CG2 ILE A 66 8.831 4.306 2.208 1.00 0.00 C ATOM 417 CD1 ILE A 66 11.797 3.771 2.757 1.00 0.00 C ATOM 0 H ILE A 66 10.345 0.680 3.066 1.00 0.00 H new ATOM 0 HA ILE A 66 9.136 3.173 4.318 1.00 0.00 H new ATOM 0 HB ILE A 66 8.914 2.244 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.339 1.874 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.030 3.271 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.999 4.721 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.760 4.258 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.308 4.943 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.838 3.766 2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.417 4.793 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.731 3.373 3.770 1.00 0.00 H new ATOM 429 N GLU A 67 7.084 1.978 4.435 1.00 0.00 N ATOM 430 CA GLU A 67 5.786 1.352 4.681 1.00 0.00 C ATOM 431 C GLU A 67 4.888 2.202 3.817 1.00 0.00 C ATOM 432 O GLU A 67 3.997 2.816 4.348 1.00 0.00 O ATOM 433 CB GLU A 67 5.521 1.489 6.147 1.00 0.00 C ATOM 434 CG GLU A 67 6.724 0.915 6.904 1.00 0.00 C ATOM 435 CD GLU A 67 6.465 1.027 8.405 1.00 0.00 C ATOM 436 OE1 GLU A 67 5.473 0.461 8.827 1.00 0.00 O ATOM 437 OE2 GLU A 67 7.282 1.674 9.041 1.00 0.00 O ATOM 0 H GLU A 67 7.215 2.862 4.927 1.00 0.00 H new ATOM 0 HA GLU A 67 5.673 0.293 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.370 2.536 6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.610 0.957 6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.882 -0.127 6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.631 1.457 6.637 1.00 0.00 H new ATOM 444 N VAL A 68 5.107 2.138 2.520 1.00 0.00 N ATOM 445 CA VAL A 68 4.333 2.943 1.570 1.00 0.00 C ATOM 446 C VAL A 68 3.027 2.454 1.345 1.00 0.00 C ATOM 447 O VAL A 68 2.657 1.300 1.390 1.00 0.00 O ATOM 448 CB VAL A 68 4.996 3.059 0.256 1.00 0.00 C ATOM 449 CG1 VAL A 68 5.581 4.442 0.396 1.00 0.00 C ATOM 450 CG2 VAL A 68 6.103 2.032 0.061 1.00 0.00 C ATOM 0 H VAL A 68 5.812 1.540 2.090 1.00 0.00 H new ATOM 0 HA VAL A 68 4.270 3.920 2.050 1.00 0.00 H new ATOM 0 HB VAL A 68 4.334 2.896 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.124 4.701 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.779 5.162 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.264 4.464 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.554 2.165 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.863 2.166 0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.685 1.028 0.135 1.00 0.00 H new ATOM 460 N ALA A 69 2.367 3.519 1.068 1.00 0.00 N ATOM 461 CA ALA A 69 0.985 3.339 0.856 1.00 0.00 C ATOM 462 C ALA A 69 0.073 3.689 -0.248 1.00 0.00 C ATOM 463 O ALA A 69 0.374 3.633 -1.422 1.00 0.00 O ATOM 464 CB ALA A 69 0.563 3.856 1.902 1.00 0.00 C ATOM 0 H ALA A 69 2.734 4.467 0.987 1.00 0.00 H new ATOM 0 HA ALA A 69 0.956 2.299 0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.526 3.808 1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.962 3.317 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.881 4.898 1.947 1.00 0.00 H new ATOM 470 N VAL A 70 -1.092 4.022 0.289 1.00 0.00 N ATOM 471 CA VAL A 70 -2.221 4.436 -0.524 1.00 0.00 C ATOM 472 C VAL A 70 -3.111 5.426 0.156 1.00 0.00 C ATOM 473 O VAL A 70 -3.665 5.267 1.226 1.00 0.00 O ATOM 474 CB VAL A 70 -3.090 3.358 -0.882 1.00 0.00 C ATOM 475 CG1 VAL A 70 -2.209 2.458 -1.559 1.00 0.00 C ATOM 476 CG2 VAL A 70 -3.645 2.588 0.328 1.00 0.00 C ATOM 0 H VAL A 70 -1.278 4.012 1.292 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.734 4.867 -1.399 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.947 3.732 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.766 1.580 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.776 2.956 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.412 2.150 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.296 1.785 -0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.819 2.164 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.214 3.268 0.962 1.00 0.00 H new ATOM 486 N ALA A 71 -3.138 6.476 -0.558 1.00 0.00 N ATOM 487 CA ALA A 71 -3.940 7.636 -0.169 1.00 0.00 C ATOM 488 C ALA A 71 -4.870 7.875 -1.321 1.00 0.00 C ATOM 489 O ALA A 71 -4.934 7.109 -2.262 1.00 0.00 O ATOM 490 CB ALA A 71 -3.005 8.820 0.067 1.00 0.00 C ATOM 0 H ALA A 71 -2.620 6.590 -1.429 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.505 7.488 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.589 9.693 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.300 8.574 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.457 9.039 -0.849 1.00 0.00 H new ATOM 496 N GLY A 72 -5.575 8.954 -1.199 1.00 0.00 N ATOM 497 CA GLY A 72 -6.512 9.292 -2.304 1.00 0.00 C ATOM 498 C GLY A 72 -7.762 8.461 -2.215 1.00 0.00 C ATOM 499 O GLY A 72 -8.523 8.627 -1.284 1.00 0.00 O ATOM 0 H GLY A 72 -5.551 9.602 -0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.769 10.350 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.025 9.123 -3.265 1.00 0.00 H new ATOM 503 N ARG A 73 -7.882 7.611 -3.208 1.00 0.00 N ATOM 504 CA ARG A 73 -9.028 6.672 -3.350 1.00 0.00 C ATOM 505 C ARG A 73 -8.955 5.836 -4.626 1.00 0.00 C ATOM 506 O ARG A 73 -8.359 6.168 -5.637 1.00 0.00 O ATOM 507 CB ARG A 73 -10.310 7.463 -3.366 1.00 0.00 C ATOM 508 CG ARG A 73 -11.581 6.637 -3.612 1.00 0.00 C ATOM 509 CD ARG A 73 -11.947 6.570 -5.105 1.00 0.00 C ATOM 510 NE ARG A 73 -12.217 7.959 -5.569 1.00 0.00 N ATOM 511 CZ ARG A 73 -13.401 8.264 -6.021 1.00 0.00 C ATOM 512 NH1 ARG A 73 -13.666 8.063 -7.284 1.00 0.00 N ATOM 513 NH2 ARG A 73 -14.282 8.760 -5.196 1.00 0.00 N ATOM 0 H ARG A 73 -7.195 7.532 -3.958 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.991 5.986 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.411 7.981 -2.413 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.237 8.228 -4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.436 5.627 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.410 7.073 -3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.133 6.127 -5.679 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.823 5.939 -5.256 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.482 8.665 -5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.952 7.673 -7.899 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.587 8.296 -7.655 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.039 8.903 -4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.214 9.005 -5.531 1.00 0.00 H new ATOM 527 N MET A 74 -9.587 4.720 -4.443 1.00 0.00 N ATOM 528 CA MET A 74 -9.724 3.675 -5.495 1.00 0.00 C ATOM 529 C MET A 74 -10.801 2.638 -5.236 1.00 0.00 C ATOM 530 O MET A 74 -11.791 2.894 -4.580 1.00 0.00 O ATOM 531 CB MET A 74 -8.479 3.029 -5.658 1.00 0.00 C ATOM 532 CG MET A 74 -8.241 3.047 -7.227 1.00 0.00 C ATOM 533 SD MET A 74 -9.510 2.386 -8.340 1.00 0.00 S ATOM 534 CE MET A 74 -10.100 3.942 -9.057 1.00 0.00 C ATOM 0 H MET A 74 -10.039 4.474 -3.562 1.00 0.00 H new ATOM 0 HA MET A 74 -10.037 4.196 -6.399 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.684 3.554 -5.128 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.503 2.011 -5.269 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.062 4.083 -7.517 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.320 2.498 -7.422 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.470 3.760 -10.066 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.905 4.344 -8.442 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.280 4.659 -9.095 1.00 0.00 H new ATOM 544 N MET A 75 -10.505 1.490 -5.788 1.00 0.00 N ATOM 545 CA MET A 75 -11.360 0.271 -5.705 1.00 0.00 C ATOM 546 C MET A 75 -10.897 -0.805 -6.704 1.00 0.00 C ATOM 547 O MET A 75 -11.665 -1.713 -6.958 1.00 0.00 O ATOM 548 CB MET A 75 -12.801 0.613 -6.048 1.00 0.00 C ATOM 549 CG MET A 75 -12.795 1.103 -7.499 1.00 0.00 C ATOM 550 SD MET A 75 -14.268 1.982 -8.077 1.00 0.00 S ATOM 551 CE MET A 75 -15.347 0.537 -8.227 1.00 0.00 C ATOM 0 H MET A 75 -9.651 1.344 -6.326 1.00 0.00 H new ATOM 0 HA MET A 75 -11.279 -0.106 -4.685 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.445 -0.259 -5.935 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.187 1.383 -5.380 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.935 1.760 -7.631 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.639 0.240 -8.147 1.00 0.00 H new ATOM 0 HE1 MET A 75 -16.330 0.852 -8.577 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.916 -0.166 -8.939 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.446 0.054 -7.255 1.00 0.00 H new ATOM 561 N THR A 76 -9.703 -0.745 -7.255 1.00 0.00 N ATOM 562 CA THR A 76 -9.381 -1.842 -8.210 1.00 0.00 C ATOM 563 C THR A 76 -8.636 -3.007 -7.651 1.00 0.00 C ATOM 564 O THR A 76 -7.434 -3.108 -7.541 1.00 0.00 O ATOM 565 CB THR A 76 -8.640 -1.305 -9.337 1.00 0.00 C ATOM 566 OG1 THR A 76 -8.059 -0.076 -8.932 1.00 0.00 O ATOM 567 CG2 THR A 76 -9.744 -1.032 -10.298 1.00 0.00 C ATOM 0 H THR A 76 -8.987 -0.036 -7.098 1.00 0.00 H new ATOM 0 HA THR A 76 -10.352 -2.240 -8.503 1.00 0.00 H new ATOM 0 HB THR A 76 -7.848 -1.944 -9.728 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.694 0.654 -9.089 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.332 -0.615 -11.217 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.267 -1.961 -10.524 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.442 -0.320 -9.857 1.00 0.00 H new ATOM 575 N ARG A 77 -9.543 -3.863 -7.335 1.00 0.00 N ATOM 576 CA ARG A 77 -9.255 -5.181 -6.716 1.00 0.00 C ATOM 577 C ARG A 77 -9.206 -6.434 -7.583 1.00 0.00 C ATOM 578 O ARG A 77 -9.612 -6.461 -8.728 1.00 0.00 O ATOM 579 CB ARG A 77 -10.284 -5.362 -5.632 1.00 0.00 C ATOM 580 CG ARG A 77 -11.661 -5.499 -6.280 1.00 0.00 C ATOM 581 CD ARG A 77 -12.722 -5.476 -5.190 1.00 0.00 C ATOM 582 NE ARG A 77 -14.044 -5.595 -5.862 1.00 0.00 N ATOM 583 CZ ARG A 77 -14.890 -4.602 -5.808 1.00 0.00 C ATOM 584 NH1 ARG A 77 -14.440 -3.379 -5.898 1.00 0.00 N ATOM 585 NH2 ARG A 77 -16.158 -4.870 -5.668 1.00 0.00 N ATOM 0 H ARG A 77 -10.538 -3.697 -7.488 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.217 -5.114 -6.390 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.056 -6.248 -5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.270 -4.510 -4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.828 -4.686 -6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.721 -6.429 -6.845 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.571 -6.297 -4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.664 -4.551 -4.616 1.00 0.00 H new ATOM 0 HE ARG A 77 -14.289 -6.449 -6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.440 -3.210 -6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.088 -2.593 -5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -16.470 -5.839 -5.603 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.838 -4.111 -5.623 1.00 0.00 H new ATOM 599 N ARG A 78 -8.683 -7.440 -6.936 1.00 0.00 N ATOM 600 CA ARG A 78 -8.524 -8.793 -7.533 1.00 0.00 C ATOM 601 C ARG A 78 -8.875 -9.725 -6.378 1.00 0.00 C ATOM 602 O ARG A 78 -8.093 -10.563 -5.975 1.00 0.00 O ATOM 603 CB ARG A 78 -7.073 -9.030 -7.971 1.00 0.00 C ATOM 604 CG ARG A 78 -6.663 -7.956 -8.982 1.00 0.00 C ATOM 605 CD ARG A 78 -5.363 -8.399 -9.663 1.00 0.00 C ATOM 606 NE ARG A 78 -4.335 -8.660 -8.617 1.00 0.00 N ATOM 607 CZ ARG A 78 -3.204 -8.010 -8.648 1.00 0.00 C ATOM 608 NH1 ARG A 78 -3.211 -6.713 -8.501 1.00 0.00 N ATOM 609 NH2 ARG A 78 -2.099 -8.684 -8.823 1.00 0.00 N ATOM 0 H ARG A 78 -8.346 -7.372 -5.976 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.142 -8.939 -8.419 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.411 -9.001 -7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.973 -10.020 -8.416 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.449 -7.814 -9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.521 -6.999 -8.481 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.535 -9.298 -10.255 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.015 -7.627 -10.349 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.514 -9.343 -7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.093 -6.220 -8.364 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.334 -6.192 -8.523 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.132 -9.698 -8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.203 -8.197 -8.851 1.00 0.00 H new ATOM 623 N ILE A 79 -10.064 -9.544 -5.871 1.00 0.00 N ATOM 624 CA ILE A 79 -10.510 -10.389 -4.733 1.00 0.00 C ATOM 625 C ILE A 79 -10.888 -11.831 -4.925 1.00 0.00 C ATOM 626 O ILE A 79 -11.253 -12.309 -5.979 1.00 0.00 O ATOM 627 CB ILE A 79 -11.700 -9.731 -4.065 1.00 0.00 C ATOM 628 CG1 ILE A 79 -12.776 -9.396 -5.117 1.00 0.00 C ATOM 629 CG2 ILE A 79 -11.145 -8.496 -3.454 1.00 0.00 C ATOM 630 CD1 ILE A 79 -14.058 -8.932 -4.416 1.00 0.00 C ATOM 0 H ILE A 79 -10.740 -8.852 -6.194 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.582 -10.444 -4.163 1.00 0.00 H new ATOM 0 HB ILE A 79 -12.180 -10.370 -3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.413 -8.616 -5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -12.983 -10.272 -5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -11.941 -7.952 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.370 -8.762 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.716 -7.866 -4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -14.816 -8.696 -5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -14.424 -9.726 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -13.846 -8.044 -3.821 1.00 0.00 H new ATOM 642 N MET A 80 -10.752 -12.455 -3.789 1.00 0.00 N ATOM 643 CA MET A 80 -11.062 -13.904 -3.671 1.00 0.00 C ATOM 644 C MET A 80 -11.521 -14.261 -2.267 1.00 0.00 C ATOM 645 O MET A 80 -11.163 -15.276 -1.700 1.00 0.00 O ATOM 646 CB MET A 80 -9.811 -14.691 -4.050 1.00 0.00 C ATOM 647 CG MET A 80 -8.621 -14.250 -3.182 1.00 0.00 C ATOM 648 SD MET A 80 -7.042 -15.073 -3.503 1.00 0.00 S ATOM 649 CE MET A 80 -6.523 -14.022 -4.883 1.00 0.00 C ATOM 0 H MET A 80 -10.434 -12.015 -2.926 1.00 0.00 H new ATOM 0 HA MET A 80 -11.882 -14.157 -4.344 1.00 0.00 H new ATOM 0 HB2 MET A 80 -9.990 -15.758 -3.918 1.00 0.00 H new ATOM 0 HB3 MET A 80 -9.580 -14.534 -5.104 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.480 -13.177 -3.315 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.883 -14.410 -2.136 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.551 -14.355 -5.248 1.00 0.00 H new ATOM 0 HE2 MET A 80 -7.256 -14.090 -5.687 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.449 -12.988 -4.545 1.00 0.00 H new ATOM 659 N GLY A 81 -12.324 -13.379 -1.754 1.00 0.00 N ATOM 660 CA GLY A 81 -12.873 -13.576 -0.380 1.00 0.00 C ATOM 661 C GLY A 81 -12.001 -12.921 0.699 1.00 0.00 C ATOM 662 O GLY A 81 -12.429 -12.029 1.404 1.00 0.00 O ATOM 0 H GLY A 81 -12.628 -12.526 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.880 -13.161 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.958 -14.643 -0.176 1.00 0.00 H new ATOM 666 N LYS A 82 -10.790 -13.402 0.782 1.00 0.00 N ATOM 667 CA LYS A 82 -9.809 -12.882 1.780 1.00 0.00 C ATOM 668 C LYS A 82 -8.700 -12.242 1.016 1.00 0.00 C ATOM 669 O LYS A 82 -8.844 -12.103 -0.181 1.00 0.00 O ATOM 670 CB LYS A 82 -9.228 -14.024 2.619 1.00 0.00 C ATOM 671 CG LYS A 82 -10.336 -14.924 3.181 1.00 0.00 C ATOM 672 CD LYS A 82 -10.626 -16.066 2.192 1.00 0.00 C ATOM 673 CE LYS A 82 -11.736 -16.944 2.768 1.00 0.00 C ATOM 674 NZ LYS A 82 -12.990 -16.152 2.906 1.00 0.00 N ATOM 0 H LYS A 82 -10.431 -14.149 0.188 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.302 -12.178 2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.549 -14.618 2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.640 -13.612 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.032 -15.333 4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.240 -14.340 3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.927 -15.661 1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.726 -16.657 2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.907 -17.802 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.434 -17.336 3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.805 -16.797 2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.949 -15.586 3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.093 -15.519 2.087 1.00 0.00 H new ATOM 688 N ALA A 83 -7.669 -11.885 1.749 1.00 0.00 N ATOM 689 CA ALA A 83 -6.482 -11.227 1.160 1.00 0.00 C ATOM 690 C ALA A 83 -6.450 -11.225 -0.323 1.00 0.00 C ATOM 691 O ALA A 83 -6.412 -12.215 -1.028 1.00 0.00 O ATOM 692 CB ALA A 83 -5.362 -11.845 1.608 1.00 0.00 C ATOM 0 H ALA A 83 -7.611 -12.031 2.757 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.535 -10.185 1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.484 -11.364 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.318 -11.775 2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.383 -12.894 1.313 1.00 0.00 H new ATOM 698 N SER A 84 -6.455 -10.001 -0.698 1.00 0.00 N ATOM 699 CA SER A 84 -6.461 -9.623 -2.102 1.00 0.00 C ATOM 700 C SER A 84 -5.340 -8.704 -2.487 1.00 0.00 C ATOM 701 O SER A 84 -4.496 -8.361 -1.688 1.00 0.00 O ATOM 702 CB SER A 84 -7.797 -9.041 -2.229 1.00 0.00 C ATOM 703 OG SER A 84 -8.596 -10.211 -2.172 1.00 0.00 O ATOM 0 H SER A 84 -6.455 -9.211 -0.053 1.00 0.00 H new ATOM 0 HA SER A 84 -6.283 -10.451 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.024 -8.344 -1.422 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.925 -8.497 -3.165 1.00 0.00 H new ATOM 0 HG SER A 84 -9.191 -10.163 -1.395 1.00 0.00 H new ATOM 709 N PHE A 85 -5.371 -8.350 -3.735 1.00 0.00 N ATOM 710 CA PHE A 85 -4.369 -7.444 -4.286 1.00 0.00 C ATOM 711 C PHE A 85 -5.284 -6.351 -4.797 1.00 0.00 C ATOM 712 O PHE A 85 -6.272 -6.612 -5.457 1.00 0.00 O ATOM 713 CB PHE A 85 -3.675 -8.200 -5.338 1.00 0.00 C ATOM 714 CG PHE A 85 -3.335 -9.567 -4.720 1.00 0.00 C ATOM 715 CD1 PHE A 85 -2.643 -9.658 -3.522 1.00 0.00 C ATOM 716 CD2 PHE A 85 -3.737 -10.725 -5.347 1.00 0.00 C ATOM 717 CE1 PHE A 85 -2.359 -10.885 -2.953 1.00 0.00 C ATOM 718 CE2 PHE A 85 -3.456 -11.954 -4.787 1.00 0.00 C ATOM 719 CZ PHE A 85 -2.769 -12.037 -3.592 1.00 0.00 C ATOM 0 H PHE A 85 -6.073 -8.666 -4.404 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.586 -7.048 -3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.308 -8.316 -6.218 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.772 -7.682 -5.661 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.321 -8.755 -3.025 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.275 -10.671 -6.282 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.822 -10.942 -2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.775 -12.857 -5.286 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.553 -13.002 -3.158 1.00 0.00 H new ATOM 729 N VAL A 86 -4.921 -5.156 -4.466 1.00 0.00 N ATOM 730 CA VAL A 86 -5.741 -3.986 -4.885 1.00 0.00 C ATOM 731 C VAL A 86 -4.908 -2.924 -5.545 1.00 0.00 C ATOM 732 O VAL A 86 -3.700 -2.989 -5.545 1.00 0.00 O ATOM 733 CB VAL A 86 -6.378 -3.543 -3.634 1.00 0.00 C ATOM 734 CG1 VAL A 86 -5.481 -2.634 -2.849 1.00 0.00 C ATOM 735 CG2 VAL A 86 -7.724 -2.941 -3.968 1.00 0.00 C ATOM 0 H VAL A 86 -4.089 -4.930 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.481 -4.230 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.548 -4.393 -2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.985 -2.328 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.560 -3.160 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.245 -1.752 -3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.211 -2.607 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.587 -2.091 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.346 -3.690 -4.457 1.00 0.00 H new ATOM 745 N THR A 87 -5.588 -1.972 -6.103 1.00 0.00 N ATOM 746 CA THR A 87 -4.876 -0.875 -6.773 1.00 0.00 C ATOM 747 C THR A 87 -5.609 0.403 -6.416 1.00 0.00 C ATOM 748 O THR A 87 -6.825 0.464 -6.526 1.00 0.00 O ATOM 749 CB THR A 87 -4.894 -1.112 -8.269 1.00 0.00 C ATOM 750 OG1 THR A 87 -4.337 -2.409 -8.418 1.00 0.00 O ATOM 751 CG2 THR A 87 -3.847 -0.217 -8.886 1.00 0.00 C ATOM 0 H THR A 87 -6.606 -1.911 -6.121 1.00 0.00 H new ATOM 0 HA THR A 87 -3.834 -0.811 -6.458 1.00 0.00 H new ATOM 0 HB THR A 87 -5.885 -0.964 -8.697 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.312 -2.647 -9.368 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.834 -0.363 -9.966 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.081 0.824 -8.664 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.868 -0.464 -8.474 1.00 0.00 H new ATOM 759 N LEU A 88 -4.815 1.359 -5.994 1.00 0.00 N ATOM 760 CA LEU A 88 -5.352 2.679 -5.600 1.00 0.00 C ATOM 761 C LEU A 88 -4.779 3.882 -6.269 1.00 0.00 C ATOM 762 O LEU A 88 -3.667 3.853 -6.750 1.00 0.00 O ATOM 763 CB LEU A 88 -5.152 2.903 -4.187 1.00 0.00 C ATOM 764 CG LEU A 88 -6.273 2.265 -3.421 1.00 0.00 C ATOM 765 CD1 LEU A 88 -5.765 1.121 -2.599 1.00 0.00 C ATOM 766 CD2 LEU A 88 -6.885 3.381 -2.589 1.00 0.00 C ATOM 0 H LEU A 88 -3.803 1.268 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.394 2.598 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.196 2.484 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.116 3.972 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.031 1.827 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.593 0.671 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.315 0.374 -3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.017 1.484 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.713 2.985 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.129 3.792 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.252 4.168 -3.249 1.00 0.00 H new ATOM 778 N GLN A 89 -5.580 4.917 -6.247 1.00 0.00 N ATOM 779 CA GLN A 89 -5.136 6.165 -6.878 1.00 0.00 C ATOM 780 C GLN A 89 -5.203 7.464 -6.137 1.00 0.00 C ATOM 781 O GLN A 89 -5.443 7.549 -4.951 1.00 0.00 O ATOM 782 CB GLN A 89 -5.898 6.472 -8.132 1.00 0.00 C ATOM 783 CG GLN A 89 -4.819 6.373 -9.075 1.00 0.00 C ATOM 784 CD GLN A 89 -3.516 7.242 -8.869 1.00 0.00 C ATOM 785 OE1 GLN A 89 -3.445 8.380 -9.281 1.00 0.00 O ATOM 786 NE2 GLN A 89 -2.462 6.783 -8.240 1.00 0.00 N ATOM 0 H GLN A 89 -6.507 4.939 -5.822 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.086 5.893 -6.987 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.696 5.755 -8.327 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.355 7.461 -8.116 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.511 5.328 -9.109 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.222 6.619 -10.058 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.462 5.832 -7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -1.641 7.377 -8.120 1.00 0.00 H new ATOM 795 N ASP A 90 -4.960 8.452 -6.961 1.00 0.00 N ATOM 796 CA ASP A 90 -4.993 9.855 -6.433 1.00 0.00 C ATOM 797 C ASP A 90 -5.545 10.927 -7.319 1.00 0.00 C ATOM 798 O ASP A 90 -6.571 11.550 -7.134 1.00 0.00 O ATOM 799 CB ASP A 90 -3.584 10.261 -5.965 1.00 0.00 C ATOM 800 CG ASP A 90 -2.449 9.641 -6.769 1.00 0.00 C ATOM 801 OD1 ASP A 90 -2.085 8.556 -6.362 1.00 0.00 O ATOM 802 OD2 ASP A 90 -2.012 10.262 -7.720 1.00 0.00 O ATOM 0 H ASP A 90 -4.745 8.356 -7.953 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.716 9.798 -5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.497 11.346 -6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.467 9.979 -4.918 1.00 0.00 H new ATOM 807 N VAL A 91 -4.722 11.027 -8.265 1.00 0.00 N ATOM 808 CA VAL A 91 -4.819 11.941 -9.381 1.00 0.00 C ATOM 809 C VAL A 91 -5.557 11.325 -10.569 1.00 0.00 C ATOM 810 O VAL A 91 -6.192 12.016 -11.339 1.00 0.00 O ATOM 811 CB VAL A 91 -3.417 12.354 -9.747 1.00 0.00 C ATOM 812 CG1 VAL A 91 -2.730 11.302 -10.601 1.00 0.00 C ATOM 813 CG2 VAL A 91 -3.599 13.652 -10.478 1.00 0.00 C ATOM 0 H VAL A 91 -3.888 10.442 -8.314 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.408 12.813 -9.097 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.770 12.464 -8.877 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.721 11.634 -10.846 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.679 10.363 -10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.296 11.153 -11.521 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.626 14.035 -10.787 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.222 13.490 -11.358 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.081 14.375 -9.820 1.00 0.00 H new ATOM 823 N GLY A 92 -5.445 10.029 -10.673 1.00 0.00 N ATOM 824 CA GLY A 92 -6.115 9.295 -11.783 1.00 0.00 C ATOM 825 C GLY A 92 -5.125 8.404 -12.533 1.00 0.00 C ATOM 826 O GLY A 92 -5.088 8.385 -13.748 1.00 0.00 O ATOM 0 H GLY A 92 -4.913 9.442 -10.030 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.925 8.686 -11.383 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.564 10.008 -12.475 1.00 0.00 H new ATOM 830 N GLY A 93 -4.341 7.683 -11.781 1.00 0.00 N ATOM 831 CA GLY A 93 -3.330 6.759 -12.446 1.00 0.00 C ATOM 832 C GLY A 93 -2.722 6.131 -11.264 1.00 0.00 C ATOM 833 O GLY A 93 -1.806 6.650 -10.660 1.00 0.00 O ATOM 0 H GLY A 93 -4.341 7.679 -10.761 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.804 6.031 -13.104 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.602 7.305 -13.046 1.00 0.00 H new ATOM 837 N ARG A 94 -3.244 4.977 -11.042 1.00 0.00 N ATOM 838 CA ARG A 94 -2.861 4.172 -9.887 1.00 0.00 C ATOM 839 C ARG A 94 -1.550 3.384 -9.839 1.00 0.00 C ATOM 840 O ARG A 94 -0.811 3.231 -10.791 1.00 0.00 O ATOM 841 CB ARG A 94 -3.857 3.155 -9.687 1.00 0.00 C ATOM 842 CG ARG A 94 -5.262 3.515 -9.673 1.00 0.00 C ATOM 843 CD ARG A 94 -6.159 2.329 -10.015 1.00 0.00 C ATOM 844 NE ARG A 94 -5.895 1.938 -11.428 1.00 0.00 N ATOM 845 CZ ARG A 94 -5.479 0.732 -11.696 1.00 0.00 C ATOM 846 NH1 ARG A 94 -6.221 -0.284 -11.346 1.00 0.00 N ATOM 847 NH2 ARG A 94 -4.334 0.584 -12.304 1.00 0.00 N ATOM 0 H ARG A 94 -3.948 4.546 -11.641 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.744 4.967 -9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.721 2.408 -10.469 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.637 2.667 -8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.528 3.899 -8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.437 4.320 -10.387 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.956 1.493 -9.345 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.208 2.595 -9.884 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.039 2.610 -12.182 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.110 -0.127 -10.871 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.912 -1.235 -11.548 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.783 1.403 -12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.990 -0.351 -12.523 1.00 0.00 H new ATOM 861 N ILE A 95 -1.375 2.924 -8.626 1.00 0.00 N ATOM 862 CA ILE A 95 -0.198 2.088 -8.206 1.00 0.00 C ATOM 863 C ILE A 95 -0.847 0.891 -7.496 1.00 0.00 C ATOM 864 O ILE A 95 -1.977 1.045 -7.076 1.00 0.00 O ATOM 865 CB ILE A 95 0.703 2.924 -7.251 1.00 0.00 C ATOM 866 CG1 ILE A 95 0.380 2.766 -5.736 1.00 0.00 C ATOM 867 CG2 ILE A 95 0.500 4.399 -7.635 1.00 0.00 C ATOM 868 CD1 ILE A 95 -0.950 3.409 -5.333 1.00 0.00 C ATOM 0 H ILE A 95 -2.034 3.102 -7.868 1.00 0.00 H new ATOM 0 HA ILE A 95 0.446 1.766 -9.024 1.00 0.00 H new ATOM 0 HB ILE A 95 1.726 2.567 -7.373 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.354 1.706 -5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.184 3.213 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.113 5.030 -6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.792 4.548 -8.674 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.550 4.666 -7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.116 3.264 -4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.920 4.476 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.762 2.946 -5.893 1.00 0.00 H new ATOM 880 N GLN A 96 -0.202 -0.244 -7.348 1.00 0.00 N ATOM 881 CA GLN A 96 -0.938 -1.342 -6.644 1.00 0.00 C ATOM 882 C GLN A 96 -0.243 -1.899 -5.416 1.00 0.00 C ATOM 883 O GLN A 96 0.936 -1.702 -5.192 1.00 0.00 O ATOM 884 CB GLN A 96 -1.188 -2.487 -7.623 1.00 0.00 C ATOM 885 CG GLN A 96 0.084 -3.265 -7.784 1.00 0.00 C ATOM 886 CD GLN A 96 -0.151 -4.371 -8.810 1.00 0.00 C ATOM 887 OE1 GLN A 96 -0.420 -4.120 -9.966 1.00 0.00 O ATOM 888 NE2 GLN A 96 -0.060 -5.615 -8.421 1.00 0.00 N ATOM 0 H GLN A 96 0.746 -0.452 -7.663 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.864 -0.890 -6.289 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.983 -3.134 -7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.517 -2.096 -8.586 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.890 -2.609 -8.112 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.390 -3.693 -6.829 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.166 -5.830 -7.450 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.215 -6.371 -9.088 1.00 0.00 H new ATOM 897 N LEU A 97 -1.042 -2.590 -4.648 1.00 0.00 N ATOM 898 CA LEU A 97 -0.518 -3.203 -3.417 1.00 0.00 C ATOM 899 C LEU A 97 -1.108 -4.593 -3.169 1.00 0.00 C ATOM 900 O LEU A 97 -1.841 -5.155 -3.964 1.00 0.00 O ATOM 901 CB LEU A 97 -0.832 -2.305 -2.256 1.00 0.00 C ATOM 902 CG LEU A 97 -2.303 -2.164 -2.190 1.00 0.00 C ATOM 903 CD1 LEU A 97 -2.736 -2.395 -0.763 1.00 0.00 C ATOM 904 CD2 LEU A 97 -2.616 -0.741 -2.541 1.00 0.00 C ATOM 0 H LEU A 97 -2.033 -2.751 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 97 0.559 -3.324 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.445 -2.727 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.359 -1.332 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.802 -2.866 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.819 -2.296 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.442 -3.397 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.260 -1.659 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.694 -0.586 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.131 -0.075 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.251 -0.525 -3.545 1.00 0.00 H new ATOM 916 N TYR A 98 -0.742 -5.058 -2.014 1.00 0.00 N ATOM 917 CA TYR A 98 -1.133 -6.383 -1.493 1.00 0.00 C ATOM 918 C TYR A 98 -1.914 -6.216 -0.175 1.00 0.00 C ATOM 919 O TYR A 98 -1.365 -5.883 0.856 1.00 0.00 O ATOM 920 CB TYR A 98 0.233 -7.086 -1.412 1.00 0.00 C ATOM 921 CG TYR A 98 0.340 -8.428 -0.697 1.00 0.00 C ATOM 922 CD1 TYR A 98 -0.670 -9.348 -0.634 1.00 0.00 C ATOM 923 CD2 TYR A 98 1.549 -8.742 -0.114 1.00 0.00 C ATOM 924 CE1 TYR A 98 -0.475 -10.550 -0.018 1.00 0.00 C ATOM 925 CE2 TYR A 98 1.751 -9.954 0.513 1.00 0.00 C ATOM 926 CZ TYR A 98 0.730 -10.875 0.563 1.00 0.00 C ATOM 927 OH TYR A 98 0.907 -12.095 1.184 1.00 0.00 O ATOM 0 H TYR A 98 -0.148 -4.533 -1.372 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.828 -6.973 -2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.589 -7.229 -2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.926 -6.400 -0.926 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.629 -9.121 -1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.355 -8.024 -0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.285 -11.263 0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 98 2.707 -10.179 0.963 1.00 0.00 H new ATOM 0 HH TYR A 98 1.819 -12.153 1.537 1.00 0.00 H new ATOM 937 N VAL A 99 -3.195 -6.462 -0.273 1.00 0.00 N ATOM 938 CA VAL A 99 -4.144 -6.371 0.849 1.00 0.00 C ATOM 939 C VAL A 99 -4.047 -7.752 1.438 1.00 0.00 C ATOM 940 O VAL A 99 -4.727 -8.631 0.953 1.00 0.00 O ATOM 941 CB VAL A 99 -5.491 -6.114 0.273 1.00 0.00 C ATOM 942 CG1 VAL A 99 -6.513 -6.364 1.299 1.00 0.00 C ATOM 943 CG2 VAL A 99 -5.549 -4.712 -0.101 1.00 0.00 C ATOM 0 H VAL A 99 -3.636 -6.740 -1.150 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.953 -5.589 1.584 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.668 -6.760 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.502 -6.177 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.450 -7.400 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.346 -5.701 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.527 -4.490 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.389 -4.093 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.774 -4.500 -0.838 1.00 0.00 H new ATOM 953 N ALA A 100 -3.225 -7.955 2.429 1.00 0.00 N ATOM 954 CA ALA A 100 -3.194 -9.344 2.933 1.00 0.00 C ATOM 955 C ALA A 100 -3.274 -9.663 4.423 1.00 0.00 C ATOM 956 O ALA A 100 -2.277 -9.797 5.104 1.00 0.00 O ATOM 957 CB ALA A 100 -1.980 -9.829 2.277 1.00 0.00 C ATOM 0 H ALA A 100 -2.617 -7.273 2.881 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.136 -9.841 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.809 -10.870 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.096 -9.754 1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.129 -9.225 2.593 1.00 0.00 H new ATOM 963 N ARG A 101 -4.496 -9.771 4.868 1.00 0.00 N ATOM 964 CA ARG A 101 -4.777 -10.093 6.294 1.00 0.00 C ATOM 965 C ARG A 101 -5.709 -11.310 6.270 1.00 0.00 C ATOM 966 O ARG A 101 -6.731 -11.348 6.919 1.00 0.00 O ATOM 967 CB ARG A 101 -5.453 -8.883 6.965 1.00 0.00 C ATOM 968 CG ARG A 101 -6.688 -8.420 6.170 1.00 0.00 C ATOM 969 CD ARG A 101 -7.350 -7.275 6.944 1.00 0.00 C ATOM 970 NE ARG A 101 -6.392 -6.136 7.017 1.00 0.00 N ATOM 971 CZ ARG A 101 -6.035 -5.662 8.181 1.00 0.00 C ATOM 972 NH1 ARG A 101 -5.701 -6.489 9.133 1.00 0.00 N ATOM 973 NH2 ARG A 101 -6.024 -4.369 8.353 1.00 0.00 N ATOM 0 H ARG A 101 -5.327 -9.647 4.290 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.872 -10.313 6.861 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.749 -9.146 7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.740 -8.062 7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.397 -8.088 5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -7.388 -9.245 6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.270 -6.965 6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.624 -7.604 7.946 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.016 -5.728 6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.720 -7.495 8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.421 -6.130 10.046 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -6.291 -3.750 7.587 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -5.749 -3.977 9.253 1.00 0.00 H new ATOM 987 N ASP A 102 -5.300 -12.283 5.501 1.00 0.00 N ATOM 988 CA ASP A 102 -6.073 -13.546 5.339 1.00 0.00 C ATOM 989 C ASP A 102 -6.538 -14.168 6.648 1.00 0.00 C ATOM 990 O ASP A 102 -7.615 -14.725 6.739 1.00 0.00 O ATOM 991 CB ASP A 102 -5.207 -14.546 4.598 1.00 0.00 C ATOM 992 CG ASP A 102 -5.960 -15.873 4.533 1.00 0.00 C ATOM 993 OD1 ASP A 102 -7.021 -15.867 3.929 1.00 0.00 O ATOM 994 OD2 ASP A 102 -5.430 -16.815 5.097 1.00 0.00 O ATOM 0 H ASP A 102 -4.434 -12.252 4.962 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.977 -13.292 4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -4.985 -14.186 3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -4.253 -14.675 5.109 1.00 0.00 H new ATOM 999 N ASP A 103 -5.693 -14.048 7.630 1.00 0.00 N ATOM 1000 CA ASP A 103 -6.010 -14.612 8.964 1.00 0.00 C ATOM 1001 C ASP A 103 -7.277 -13.979 9.500 1.00 0.00 C ATOM 1002 O ASP A 103 -8.158 -14.629 10.023 1.00 0.00 O ATOM 1003 CB ASP A 103 -4.877 -14.335 9.822 1.00 0.00 C ATOM 1004 CG ASP A 103 -3.619 -14.940 9.200 1.00 0.00 C ATOM 1005 OD1 ASP A 103 -3.585 -16.154 9.105 1.00 0.00 O ATOM 1006 OD2 ASP A 103 -2.765 -14.141 8.854 1.00 0.00 O ATOM 0 H ASP A 103 -4.790 -13.579 7.563 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.183 -15.687 8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.754 -13.259 9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.045 -14.754 10.814 1.00 0.00 H new ATOM 1011 N LEU A 104 -7.289 -12.689 9.338 1.00 0.00 N ATOM 1012 CA LEU A 104 -8.427 -11.845 9.779 1.00 0.00 C ATOM 1013 C LEU A 104 -8.942 -11.122 8.534 1.00 0.00 C ATOM 1014 O LEU A 104 -8.669 -9.949 8.383 1.00 0.00 O ATOM 1015 CB LEU A 104 -7.889 -10.875 10.787 1.00 0.00 C ATOM 1016 CG LEU A 104 -7.464 -11.596 12.078 1.00 0.00 C ATOM 1017 CD1 LEU A 104 -6.829 -10.558 13.006 1.00 0.00 C ATOM 1018 CD2 LEU A 104 -8.688 -12.184 12.796 1.00 0.00 C ATOM 0 H LEU A 104 -6.528 -12.168 8.902 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.240 -12.413 10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.035 -10.344 10.366 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.648 -10.127 11.017 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.771 -12.400 11.831 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.517 -11.041 13.932 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.961 -10.115 12.517 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.556 -9.778 13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.367 -12.690 13.707 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.380 -11.382 13.051 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.186 -12.898 12.140 1.00 0.00 H new ATOM 1030 N PRO A 105 -9.651 -11.825 7.682 1.00 0.00 N ATOM 1031 CA PRO A 105 -9.911 -11.409 6.278 1.00 0.00 C ATOM 1032 C PRO A 105 -11.076 -10.430 6.150 1.00 0.00 C ATOM 1033 O PRO A 105 -12.036 -10.634 5.433 1.00 0.00 O ATOM 1034 CB PRO A 105 -10.151 -12.716 5.585 1.00 0.00 C ATOM 1035 CG PRO A 105 -11.008 -13.454 6.639 1.00 0.00 C ATOM 1036 CD PRO A 105 -10.286 -13.138 7.972 1.00 0.00 C ATOM 0 HA PRO A 105 -9.087 -10.846 5.840 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.678 -12.591 4.639 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.223 -13.243 5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -12.037 -13.094 6.644 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -11.046 -14.526 6.447 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -10.983 -13.077 8.808 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -9.549 -13.900 8.226 1.00 0.00 H new ATOM 1044 N GLU A 106 -10.899 -9.386 6.892 1.00 0.00 N ATOM 1045 CA GLU A 106 -11.750 -8.251 7.047 1.00 0.00 C ATOM 1046 C GLU A 106 -12.326 -7.559 5.836 1.00 0.00 C ATOM 1047 O GLU A 106 -12.232 -7.979 4.701 1.00 0.00 O ATOM 1048 CB GLU A 106 -10.891 -7.387 7.879 1.00 0.00 C ATOM 1049 CG GLU A 106 -11.381 -7.557 9.238 1.00 0.00 C ATOM 1050 CD GLU A 106 -10.445 -6.840 10.208 1.00 0.00 C ATOM 1051 OE1 GLU A 106 -10.358 -5.629 10.085 1.00 0.00 O ATOM 1052 OE2 GLU A 106 -9.871 -7.551 11.016 1.00 0.00 O ATOM 0 H GLU A 106 -10.062 -9.299 7.468 1.00 0.00 H new ATOM 0 HA GLU A 106 -12.711 -8.551 7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.844 -7.679 7.799 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -10.957 -6.346 7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -12.390 -7.155 9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -11.437 -8.617 9.486 1.00 0.00 H new ATOM 1059 N GLY A 107 -12.921 -6.467 6.212 1.00 0.00 N ATOM 1060 CA GLY A 107 -13.576 -5.566 5.231 1.00 0.00 C ATOM 1061 C GLY A 107 -12.569 -4.434 5.143 1.00 0.00 C ATOM 1062 O GLY A 107 -12.312 -3.908 4.085 1.00 0.00 O ATOM 0 H GLY A 107 -12.982 -6.154 7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.732 -6.052 4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.551 -5.222 5.577 1.00 0.00 H new ATOM 1066 N VAL A 108 -12.030 -4.114 6.291 1.00 0.00 N ATOM 1067 CA VAL A 108 -11.005 -3.058 6.527 1.00 0.00 C ATOM 1068 C VAL A 108 -9.909 -3.002 5.483 1.00 0.00 C ATOM 1069 O VAL A 108 -9.148 -2.075 5.301 1.00 0.00 O ATOM 1070 CB VAL A 108 -10.447 -3.332 7.855 1.00 0.00 C ATOM 1071 CG1 VAL A 108 -9.281 -2.404 8.196 1.00 0.00 C ATOM 1072 CG2 VAL A 108 -11.586 -3.042 8.810 1.00 0.00 C ATOM 0 H VAL A 108 -12.290 -4.594 7.152 1.00 0.00 H new ATOM 0 HA VAL A 108 -11.480 -2.079 6.461 1.00 0.00 H new ATOM 0 HB VAL A 108 -10.064 -4.351 7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.902 -2.646 9.189 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.486 -2.534 7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.623 -1.369 8.180 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -11.257 -3.221 9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -11.893 -2.002 8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -12.429 -3.694 8.580 1.00 0.00 H new ATOM 1082 N TYR A 109 -9.913 -4.112 4.859 1.00 0.00 N ATOM 1083 CA TYR A 109 -9.018 -4.475 3.757 1.00 0.00 C ATOM 1084 C TYR A 109 -9.202 -3.864 2.335 1.00 0.00 C ATOM 1085 O TYR A 109 -8.978 -2.698 2.062 1.00 0.00 O ATOM 1086 CB TYR A 109 -9.149 -6.074 4.010 1.00 0.00 C ATOM 1087 CG TYR A 109 -9.533 -7.122 2.932 1.00 0.00 C ATOM 1088 CD1 TYR A 109 -10.815 -7.145 2.349 1.00 0.00 C ATOM 1089 CD2 TYR A 109 -8.613 -8.061 2.532 1.00 0.00 C ATOM 1090 CE1 TYR A 109 -11.129 -8.091 1.402 1.00 0.00 C ATOM 1091 CE2 TYR A 109 -8.929 -9.005 1.582 1.00 0.00 C ATOM 1092 CZ TYR A 109 -10.191 -9.028 1.008 1.00 0.00 C ATOM 1093 OH TYR A 109 -10.523 -9.972 0.058 1.00 0.00 O ATOM 0 H TYR A 109 -10.568 -4.859 5.092 1.00 0.00 H new ATOM 0 HA TYR A 109 -8.015 -4.048 3.763 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -8.185 -6.393 4.406 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -9.878 -6.190 4.812 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -11.554 -6.416 2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.626 -8.058 2.970 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -12.115 -8.103 0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -8.189 -9.733 1.282 1.00 0.00 H new ATOM 0 HH TYR A 109 -11.193 -9.600 -0.553 1.00 0.00 H new ATOM 1103 N ASN A 110 -9.612 -4.712 1.473 1.00 0.00 N ATOM 1104 CA ASN A 110 -9.886 -4.506 0.054 1.00 0.00 C ATOM 1105 C ASN A 110 -11.273 -3.948 0.018 1.00 0.00 C ATOM 1106 O ASN A 110 -11.670 -3.337 -0.954 1.00 0.00 O ATOM 1107 CB ASN A 110 -9.817 -5.845 -0.678 1.00 0.00 C ATOM 1108 CG ASN A 110 -9.775 -5.588 -2.178 1.00 0.00 C ATOM 1109 OD1 ASN A 110 -10.725 -5.104 -2.759 1.00 0.00 O ATOM 1110 ND2 ASN A 110 -8.690 -5.898 -2.835 1.00 0.00 N ATOM 0 H ASN A 110 -9.791 -5.678 1.745 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.170 -3.841 -0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.932 -6.399 -0.366 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.682 -6.457 -0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -8.638 -5.734 -3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -7.894 -6.304 -2.343 1.00 0.00 H new ATOM 1117 N GLU A 111 -12.002 -4.160 1.082 1.00 0.00 N ATOM 1118 CA GLU A 111 -13.327 -3.674 1.053 1.00 0.00 C ATOM 1119 C GLU A 111 -13.386 -2.254 1.469 1.00 0.00 C ATOM 1120 O GLU A 111 -14.220 -1.475 1.060 1.00 0.00 O ATOM 1121 CB GLU A 111 -14.118 -4.484 1.929 1.00 0.00 C ATOM 1122 CG GLU A 111 -15.301 -4.439 1.102 1.00 0.00 C ATOM 1123 CD GLU A 111 -16.565 -4.662 1.927 1.00 0.00 C ATOM 1124 OE1 GLU A 111 -16.790 -3.827 2.788 1.00 0.00 O ATOM 1125 OE2 GLU A 111 -17.224 -5.649 1.650 1.00 0.00 O ATOM 0 H GLU A 111 -11.709 -4.642 1.932 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.713 -3.728 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.722 -5.489 2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.258 -4.051 2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.359 -3.474 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.233 -5.200 0.325 1.00 0.00 H new ATOM 1132 N GLN A 112 -12.466 -1.998 2.327 1.00 0.00 N ATOM 1133 CA GLN A 112 -12.281 -0.698 2.896 1.00 0.00 C ATOM 1134 C GLN A 112 -12.093 -0.002 1.581 1.00 0.00 C ATOM 1135 O GLN A 112 -12.826 0.878 1.195 1.00 0.00 O ATOM 1136 CB GLN A 112 -11.157 -1.039 3.659 1.00 0.00 C ATOM 1137 CG GLN A 112 -10.487 0.078 4.191 1.00 0.00 C ATOM 1138 CD GLN A 112 -11.033 0.536 5.555 1.00 0.00 C ATOM 1139 OE1 GLN A 112 -10.440 1.355 6.228 1.00 0.00 O ATOM 1140 NE2 GLN A 112 -12.158 0.045 5.999 1.00 0.00 N ATOM 0 H GLN A 112 -11.803 -2.696 2.665 1.00 0.00 H new ATOM 0 HA GLN A 112 -12.960 -0.113 3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.465 -1.692 4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.464 -1.608 3.039 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.428 -0.160 4.295 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.560 0.905 3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.668 -0.644 5.445 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -12.527 0.350 6.900 1.00 0.00 H new ATOM 1149 N PHE A 113 -11.064 -0.433 0.922 1.00 0.00 N ATOM 1150 CA PHE A 113 -10.725 0.120 -0.403 1.00 0.00 C ATOM 1151 C PHE A 113 -11.905 0.199 -1.321 1.00 0.00 C ATOM 1152 O PHE A 113 -12.016 1.083 -2.147 1.00 0.00 O ATOM 1153 CB PHE A 113 -9.762 -0.722 -0.957 1.00 0.00 C ATOM 1154 CG PHE A 113 -8.390 -0.473 -0.290 1.00 0.00 C ATOM 1155 CD1 PHE A 113 -7.978 0.728 0.320 1.00 0.00 C ATOM 1156 CD2 PHE A 113 -7.501 -1.516 -0.327 1.00 0.00 C ATOM 1157 CE1 PHE A 113 -6.715 0.834 0.856 1.00 0.00 C ATOM 1158 CE2 PHE A 113 -6.247 -1.394 0.211 1.00 0.00 C ATOM 1159 CZ PHE A 113 -5.846 -0.226 0.803 1.00 0.00 C ATOM 0 H PHE A 113 -10.432 -1.161 1.255 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.364 1.141 -0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -10.057 -1.763 -0.822 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -9.690 -0.548 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.655 1.568 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -7.794 -2.448 -0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.406 1.758 1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -5.565 -2.230 0.168 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.855 -0.140 1.224 1.00 0.00 H new ATOM 1169 N LYS A 114 -12.766 -0.758 -1.133 1.00 0.00 N ATOM 1170 CA LYS A 114 -13.962 -0.760 -2.026 1.00 0.00 C ATOM 1171 C LYS A 114 -14.775 0.478 -1.719 1.00 0.00 C ATOM 1172 O LYS A 114 -15.414 1.070 -2.565 1.00 0.00 O ATOM 1173 CB LYS A 114 -14.814 -2.009 -1.786 1.00 0.00 C ATOM 1174 CG LYS A 114 -15.958 -2.028 -2.790 1.00 0.00 C ATOM 1175 CD LYS A 114 -16.695 -3.352 -2.623 1.00 0.00 C ATOM 1176 CE LYS A 114 -17.961 -3.312 -3.476 1.00 0.00 C ATOM 1177 NZ LYS A 114 -18.602 -4.657 -3.476 1.00 0.00 N ATOM 0 H LYS A 114 -12.706 -1.504 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 114 -13.643 -0.764 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -14.205 -2.907 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -15.206 -2.008 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -16.633 -1.190 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -15.577 -1.927 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -16.058 -4.182 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -16.949 -3.515 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -18.653 -2.567 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -17.716 -3.014 -4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -19.464 -4.631 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -17.941 -5.357 -3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -18.849 -4.924 -2.502 1.00 0.00 H new ATOM 1191 N LYS A 115 -14.699 0.816 -0.471 1.00 0.00 N ATOM 1192 CA LYS A 115 -15.361 1.921 0.130 1.00 0.00 C ATOM 1193 C LYS A 115 -14.771 3.296 -0.105 1.00 0.00 C ATOM 1194 O LYS A 115 -15.531 4.242 -0.122 1.00 0.00 O ATOM 1195 CB LYS A 115 -15.406 1.591 1.582 1.00 0.00 C ATOM 1196 CG LYS A 115 -16.810 1.677 2.041 1.00 0.00 C ATOM 1197 CD LYS A 115 -16.890 1.543 3.577 1.00 0.00 C ATOM 1198 CE LYS A 115 -16.157 0.279 4.059 1.00 0.00 C ATOM 1199 NZ LYS A 115 -16.675 -0.931 3.359 1.00 0.00 N ATOM 0 H LYS A 115 -14.134 0.290 0.196 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.339 2.029 -0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -15.012 0.590 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -14.780 2.282 2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.242 2.629 1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.401 0.891 1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -16.451 2.424 4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -17.934 1.503 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.087 0.381 3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -16.287 0.166 5.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.603 -1.755 3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.670 -0.781 3.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -16.114 -1.102 2.500 1.00 0.00 H new ATOM 1213 N TRP A 116 -13.478 3.445 -0.277 1.00 0.00 N ATOM 1214 CA TRP A 116 -13.124 4.895 -0.449 1.00 0.00 C ATOM 1215 C TRP A 116 -13.731 5.774 -1.494 1.00 0.00 C ATOM 1216 O TRP A 116 -14.107 5.437 -2.600 1.00 0.00 O ATOM 1217 CB TRP A 116 -11.626 5.031 -0.507 1.00 0.00 C ATOM 1218 CG TRP A 116 -11.491 4.224 0.718 1.00 0.00 C ATOM 1219 CD1 TRP A 116 -10.912 3.099 0.513 1.00 0.00 C ATOM 1220 CD2 TRP A 116 -12.042 4.247 1.943 1.00 0.00 C ATOM 1221 NE1 TRP A 116 -11.135 2.419 1.591 1.00 0.00 N ATOM 1222 CE2 TRP A 116 -11.837 3.036 2.503 1.00 0.00 C ATOM 1223 CE3 TRP A 116 -12.715 5.207 2.612 1.00 0.00 C ATOM 1224 CZ2 TRP A 116 -12.339 2.696 3.699 1.00 0.00 C ATOM 1225 CZ3 TRP A 116 -13.236 4.913 3.860 1.00 0.00 C ATOM 1226 CH2 TRP A 116 -13.057 3.644 4.409 1.00 0.00 C ATOM 0 H TRP A 116 -12.741 2.740 -0.305 1.00 0.00 H new ATOM 0 HA TRP A 116 -13.623 5.300 0.431 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -11.162 4.597 -1.393 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -11.257 6.053 -0.423 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -10.362 2.788 -0.363 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -10.787 1.469 1.719 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -12.845 6.188 2.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -12.187 1.705 4.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -13.781 5.667 4.409 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -13.473 3.403 5.376 1.00 0.00 H new ATOM 1237 N ASP A 117 -13.755 6.941 -0.926 1.00 0.00 N ATOM 1238 CA ASP A 117 -14.279 8.201 -1.470 1.00 0.00 C ATOM 1239 C ASP A 117 -13.571 9.376 -2.076 1.00 0.00 C ATOM 1240 O ASP A 117 -12.377 9.544 -2.217 1.00 0.00 O ATOM 1241 CB ASP A 117 -15.126 8.695 -0.360 1.00 0.00 C ATOM 1242 CG ASP A 117 -14.325 8.819 0.943 1.00 0.00 C ATOM 1243 OD1 ASP A 117 -13.104 8.874 0.883 1.00 0.00 O ATOM 1244 OD2 ASP A 117 -15.016 8.864 1.944 1.00 0.00 O ATOM 0 H ASP A 117 -13.380 7.070 0.014 1.00 0.00 H new ATOM 0 HA ASP A 117 -14.628 7.849 -2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -15.546 9.666 -0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -15.965 8.015 -0.210 1.00 0.00 H new ATOM 1249 N LEU A 118 -14.573 10.142 -2.391 1.00 0.00 N ATOM 1250 CA LEU A 118 -14.541 11.461 -3.016 1.00 0.00 C ATOM 1251 C LEU A 118 -13.765 12.579 -2.337 1.00 0.00 C ATOM 1252 O LEU A 118 -12.553 12.657 -2.318 1.00 0.00 O ATOM 1253 CB LEU A 118 -16.065 11.675 -3.235 1.00 0.00 C ATOM 1254 CG LEU A 118 -17.017 11.273 -2.034 1.00 0.00 C ATOM 1255 CD1 LEU A 118 -16.889 12.055 -0.767 1.00 0.00 C ATOM 1256 CD2 LEU A 118 -18.344 11.068 -2.562 1.00 0.00 C ATOM 0 H LEU A 118 -15.531 9.844 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.934 11.499 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -16.232 12.727 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -16.366 11.105 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 118 -16.669 10.326 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -17.598 11.675 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -15.875 11.956 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -17.100 13.106 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -19.019 10.790 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -18.696 11.988 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -18.321 10.271 -3.305 1.00 0.00 H new ATOM 1268 N GLY A 119 -14.595 13.395 -1.819 1.00 0.00 N ATOM 1269 CA GLY A 119 -14.268 14.630 -1.066 1.00 0.00 C ATOM 1270 C GLY A 119 -13.413 14.242 0.110 1.00 0.00 C ATOM 1271 O GLY A 119 -12.531 14.975 0.511 1.00 0.00 O ATOM 0 H GLY A 119 -15.601 13.246 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -13.740 15.338 -1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -15.179 15.124 -0.729 1.00 0.00 H new ATOM 1275 N ASP A 120 -13.696 13.086 0.643 1.00 0.00 N ATOM 1276 CA ASP A 120 -12.947 12.625 1.761 1.00 0.00 C ATOM 1277 C ASP A 120 -11.790 11.858 1.150 1.00 0.00 C ATOM 1278 O ASP A 120 -11.807 11.604 -0.035 1.00 0.00 O ATOM 1279 CB ASP A 120 -13.936 11.884 2.500 1.00 0.00 C ATOM 1280 CG ASP A 120 -14.007 12.391 3.940 1.00 0.00 C ATOM 1281 OD1 ASP A 120 -12.956 12.568 4.528 1.00 0.00 O ATOM 1282 OD2 ASP A 120 -15.132 12.575 4.371 1.00 0.00 O ATOM 0 H ASP A 120 -14.432 12.458 0.321 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.488 13.334 2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -14.910 11.987 2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -13.687 10.823 2.492 1.00 0.00 H new ATOM 1287 N ILE A 121 -10.826 11.484 1.935 1.00 0.00 N ATOM 1288 CA ILE A 121 -9.657 10.750 1.341 1.00 0.00 C ATOM 1289 C ILE A 121 -8.824 9.922 2.341 1.00 0.00 C ATOM 1290 O ILE A 121 -9.019 9.952 3.540 1.00 0.00 O ATOM 1291 CB ILE A 121 -8.830 11.845 0.662 1.00 0.00 C ATOM 1292 CG1 ILE A 121 -9.044 11.860 -0.886 1.00 0.00 C ATOM 1293 CG2 ILE A 121 -7.332 11.829 1.050 1.00 0.00 C ATOM 1294 CD1 ILE A 121 -7.942 12.640 -1.631 1.00 0.00 C ATOM 0 H ILE A 121 -10.785 11.645 2.941 1.00 0.00 H new ATOM 0 HA ILE A 121 -10.005 9.982 0.650 1.00 0.00 H new ATOM 0 HB ILE A 121 -9.213 12.788 1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.071 10.835 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.013 12.305 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -6.813 12.633 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -7.233 11.971 2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.893 10.872 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -8.141 12.618 -2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -7.931 13.674 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -6.974 12.181 -1.432 1.00 0.00 H new ATOM 1306 N LEU A 122 -7.888 9.173 1.834 1.00 0.00 N ATOM 1307 CA LEU A 122 -7.074 8.378 2.797 1.00 0.00 C ATOM 1308 C LEU A 122 -5.583 8.514 2.686 1.00 0.00 C ATOM 1309 O LEU A 122 -5.061 9.221 1.849 1.00 0.00 O ATOM 1310 CB LEU A 122 -7.411 6.903 2.666 1.00 0.00 C ATOM 1311 CG LEU A 122 -7.248 6.349 1.264 1.00 0.00 C ATOM 1312 CD1 LEU A 122 -6.912 4.821 1.135 1.00 0.00 C ATOM 1313 CD2 LEU A 122 -8.595 6.558 0.603 1.00 0.00 C ATOM 0 H LEU A 122 -7.656 9.076 0.845 1.00 0.00 H new ATOM 0 HA LEU A 122 -7.345 8.796 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.775 6.335 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.440 6.747 2.988 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.394 6.862 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.822 4.556 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.971 4.611 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -7.709 4.233 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -8.561 6.182 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -9.362 6.021 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -8.833 7.622 0.591 1.00 0.00 H new ATOM 1325 N GLY A 123 -5.017 7.793 3.615 1.00 0.00 N ATOM 1326 CA GLY A 123 -3.552 7.643 3.844 1.00 0.00 C ATOM 1327 C GLY A 123 -3.511 6.212 4.388 1.00 0.00 C ATOM 1328 O GLY A 123 -4.169 5.946 5.370 1.00 0.00 O ATOM 0 H GLY A 123 -5.569 7.255 4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -2.973 7.757 2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -3.165 8.371 4.557 1.00 0.00 H new ATOM 1332 N ALA A 124 -2.784 5.303 3.803 1.00 0.00 N ATOM 1333 CA ALA A 124 -2.794 3.908 4.381 1.00 0.00 C ATOM 1334 C ALA A 124 -1.420 3.514 4.218 1.00 0.00 C ATOM 1335 O ALA A 124 -0.736 4.403 3.782 1.00 0.00 O ATOM 1336 CB ALA A 124 -3.654 3.149 3.559 1.00 0.00 C ATOM 0 H ALA A 124 -2.199 5.444 2.979 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.131 3.801 5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.702 2.125 3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.652 3.587 3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.274 3.148 2.538 1.00 0.00 H new ATOM 1342 N LYS A 125 -1.087 2.293 4.565 1.00 0.00 N ATOM 1343 CA LYS A 125 0.315 1.827 4.413 1.00 0.00 C ATOM 1344 C LYS A 125 0.619 0.337 4.309 1.00 0.00 C ATOM 1345 O LYS A 125 -0.118 -0.500 4.805 1.00 0.00 O ATOM 1346 CB LYS A 125 1.070 2.486 5.563 1.00 0.00 C ATOM 1347 CG LYS A 125 2.173 1.610 6.147 1.00 0.00 C ATOM 1348 CD LYS A 125 1.612 0.605 7.155 1.00 0.00 C ATOM 1349 CE LYS A 125 1.942 1.122 8.564 1.00 0.00 C ATOM 1350 NZ LYS A 125 1.298 2.440 8.825 1.00 0.00 N ATOM 0 H LYS A 125 -1.733 1.602 4.947 1.00 0.00 H new ATOM 0 HA LYS A 125 0.632 2.121 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 125 1.507 3.421 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.363 2.741 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 125 2.680 1.077 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.919 2.238 6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.535 0.498 7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 125 2.050 -0.380 6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.606 0.398 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.022 1.215 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.231 2.596 9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.869 3.196 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.344 2.449 8.410 1.00 0.00 H new ATOM 1364 N GLY A 126 1.740 0.093 3.656 1.00 0.00 N ATOM 1365 CA GLY A 126 2.218 -1.290 3.444 1.00 0.00 C ATOM 1366 C GLY A 126 3.704 -1.190 3.155 1.00 0.00 C ATOM 1367 O GLY A 126 4.182 -0.123 2.829 1.00 0.00 O ATOM 0 H GLY A 126 2.342 0.816 3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.034 -1.904 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.692 -1.760 2.613 1.00 0.00 H new ATOM 1371 N LYS A 127 4.462 -2.244 3.225 1.00 0.00 N ATOM 1372 CA LYS A 127 5.868 -1.950 2.921 1.00 0.00 C ATOM 1373 C LYS A 127 6.078 -1.995 1.448 1.00 0.00 C ATOM 1374 O LYS A 127 5.204 -2.299 0.672 1.00 0.00 O ATOM 1375 CB LYS A 127 6.735 -2.951 3.634 1.00 0.00 C ATOM 1376 CG LYS A 127 7.007 -4.161 2.788 1.00 0.00 C ATOM 1377 CD LYS A 127 7.897 -5.145 3.551 1.00 0.00 C ATOM 1378 CE LYS A 127 7.160 -5.743 4.751 1.00 0.00 C ATOM 1379 NZ LYS A 127 8.052 -6.727 5.427 1.00 0.00 N ATOM 0 H LYS A 127 4.200 -3.202 3.456 1.00 0.00 H new ATOM 0 HA LYS A 127 6.136 -0.951 3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 127 7.679 -2.482 3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.249 -3.258 4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 127 6.068 -4.643 2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 127 7.493 -3.863 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.216 -5.944 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 127 8.798 -4.635 3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 127 6.873 -4.955 5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 127 6.241 -6.230 4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 7.784 -6.807 6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 7.957 -7.655 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.039 -6.406 5.357 1.00 0.00 H new ATOM 1393 N LEU A 128 7.274 -1.681 1.098 1.00 0.00 N ATOM 1394 CA LEU A 128 7.629 -1.665 -0.313 1.00 0.00 C ATOM 1395 C LEU A 128 8.169 -3.066 -0.410 1.00 0.00 C ATOM 1396 O LEU A 128 9.026 -3.441 0.365 1.00 0.00 O ATOM 1397 CB LEU A 128 8.565 -0.462 -0.323 1.00 0.00 C ATOM 1398 CG LEU A 128 9.591 -0.539 -1.361 1.00 0.00 C ATOM 1399 CD1 LEU A 128 9.105 -0.496 -2.707 1.00 0.00 C ATOM 1400 CD2 LEU A 128 10.558 0.620 -1.185 1.00 0.00 C ATOM 0 H LEU A 128 8.026 -1.433 1.741 1.00 0.00 H new ATOM 0 HA LEU A 128 6.948 -1.522 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.978 0.445 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 128 9.048 -0.378 0.651 1.00 0.00 H new ATOM 0 HG LEU A 128 10.059 -1.515 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 128 9.945 -0.560 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 128 8.430 -1.335 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 128 8.570 0.439 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 128 11.328 0.572 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 128 10.017 1.562 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 128 11.024 0.559 -0.202 1.00 0.00 H new ATOM 1412 N PHE A 129 7.705 -3.838 -1.357 1.00 0.00 N ATOM 1413 CA PHE A 129 8.264 -5.221 -1.392 1.00 0.00 C ATOM 1414 C PHE A 129 7.870 -5.070 -2.800 1.00 0.00 C ATOM 1415 O PHE A 129 7.028 -5.633 -3.455 1.00 0.00 O ATOM 1416 CB PHE A 129 7.449 -6.127 -0.486 1.00 0.00 C ATOM 1417 CG PHE A 129 6.147 -6.563 -1.068 1.00 0.00 C ATOM 1418 CD1 PHE A 129 5.316 -5.582 -1.483 1.00 0.00 C ATOM 1419 CD2 PHE A 129 5.814 -7.891 -1.186 1.00 0.00 C ATOM 1420 CE1 PHE A 129 4.094 -5.948 -2.048 1.00 0.00 C ATOM 1421 CE2 PHE A 129 4.610 -8.250 -1.740 1.00 0.00 C ATOM 1422 CZ PHE A 129 3.753 -7.273 -2.173 1.00 0.00 C ATOM 0 H PHE A 129 7.011 -3.596 -2.064 1.00 0.00 H new ATOM 0 HA PHE A 129 9.252 -5.584 -1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.041 -7.010 -0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 129 7.258 -5.607 0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 129 5.590 -4.542 -1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.499 -8.652 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 129 3.411 -5.184 -2.390 1.00 0.00 H new ATOM 0 HE2 PHE A 129 4.341 -9.292 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.806 -7.545 -2.614 1.00 0.00 H new ATOM 1432 N LYS A 130 8.715 -4.123 -2.985 1.00 0.00 N ATOM 1433 CA LYS A 130 9.155 -3.235 -4.047 1.00 0.00 C ATOM 1434 C LYS A 130 8.135 -2.279 -4.895 1.00 0.00 C ATOM 1435 O LYS A 130 8.230 -2.017 -6.050 1.00 0.00 O ATOM 1436 CB LYS A 130 10.108 -4.433 -4.622 1.00 0.00 C ATOM 1437 CG LYS A 130 11.491 -4.532 -3.962 1.00 0.00 C ATOM 1438 CD LYS A 130 12.235 -5.787 -4.453 1.00 0.00 C ATOM 1439 CE LYS A 130 12.641 -5.636 -5.927 1.00 0.00 C ATOM 1440 NZ LYS A 130 13.460 -6.810 -6.337 1.00 0.00 N ATOM 0 H LYS A 130 9.274 -3.881 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 130 9.599 -2.256 -3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 130 9.590 -5.383 -4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 130 10.243 -4.288 -5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 130 12.076 -3.642 -4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 130 11.381 -4.568 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 130 13.122 -5.952 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 130 11.598 -6.663 -4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 130 11.753 -5.561 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 130 13.209 -4.716 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 13.736 -6.709 -7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 14.314 -6.861 -5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 12.903 -7.680 -6.218 1.00 0.00 H new ATOM 1454 N THR A 131 7.101 -1.652 -4.409 1.00 0.00 N ATOM 1455 CA THR A 131 6.251 -0.784 -5.345 1.00 0.00 C ATOM 1456 C THR A 131 6.800 0.265 -6.409 1.00 0.00 C ATOM 1457 O THR A 131 6.567 1.450 -6.278 1.00 0.00 O ATOM 1458 CB THR A 131 5.248 -0.043 -4.443 1.00 0.00 C ATOM 1459 OG1 THR A 131 4.436 0.811 -5.239 1.00 0.00 O ATOM 1460 CG2 THR A 131 5.985 0.837 -3.429 1.00 0.00 C ATOM 0 H THR A 131 6.795 -1.685 -3.437 1.00 0.00 H new ATOM 0 HA THR A 131 5.922 -1.549 -6.048 1.00 0.00 H new ATOM 0 HB THR A 131 4.645 -0.788 -3.924 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.960 1.589 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.260 1.353 -2.800 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.627 0.215 -2.806 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.593 1.571 -3.958 1.00 0.00 H new ATOM 1468 N LYS A 132 7.522 -0.125 -7.437 1.00 0.00 N ATOM 1469 CA LYS A 132 8.003 0.894 -8.421 1.00 0.00 C ATOM 1470 C LYS A 132 8.274 0.239 -9.795 1.00 0.00 C ATOM 1471 O LYS A 132 7.342 -0.123 -10.486 1.00 0.00 O ATOM 1472 CB LYS A 132 9.273 1.562 -7.876 1.00 0.00 C ATOM 1473 CG LYS A 132 9.653 2.790 -8.725 1.00 0.00 C ATOM 1474 CD LYS A 132 8.515 3.829 -8.721 1.00 0.00 C ATOM 1475 CE LYS A 132 9.030 5.123 -9.357 1.00 0.00 C ATOM 1476 NZ LYS A 132 10.146 5.685 -8.543 1.00 0.00 N ATOM 0 H LYS A 132 7.794 -1.088 -7.633 1.00 0.00 H new ATOM 0 HA LYS A 132 7.232 1.652 -8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 132 9.114 1.865 -6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 132 10.095 0.846 -7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 132 10.565 3.241 -8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 132 9.865 2.479 -9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 132 7.656 3.451 -9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 132 8.178 4.017 -7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 132 9.373 4.927 -10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 132 8.220 5.849 -9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 10.045 6.718 -8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 10.118 5.277 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 11.055 5.452 -8.992 1.00 0.00 H new ATOM 1490 N THR A 133 9.531 0.100 -10.159 1.00 0.00 N ATOM 1491 CA THR A 133 9.908 -0.522 -11.467 1.00 0.00 C ATOM 1492 C THR A 133 10.933 -1.657 -11.282 1.00 0.00 C ATOM 1493 O THR A 133 10.805 -2.712 -11.869 1.00 0.00 O ATOM 1494 CB THR A 133 10.466 0.596 -12.362 1.00 0.00 C ATOM 1495 OG1 THR A 133 10.873 -0.070 -13.549 1.00 0.00 O ATOM 1496 CG2 THR A 133 11.751 1.208 -11.797 1.00 0.00 C ATOM 0 H THR A 133 10.324 0.398 -9.591 1.00 0.00 H new ATOM 0 HA THR A 133 9.034 -0.979 -11.931 1.00 0.00 H new ATOM 0 HB THR A 133 9.716 1.379 -12.476 1.00 0.00 H new ATOM 0 HG1 THR A 133 11.243 0.582 -14.180 1.00 0.00 H new ATOM 0 HG21 THR A 133 12.105 1.993 -12.466 1.00 0.00 H new ATOM 0 HG22 THR A 133 11.550 1.633 -10.814 1.00 0.00 H new ATOM 0 HG23 THR A 133 12.514 0.435 -11.709 1.00 0.00 H new ATOM 1504 N GLY A 134 11.925 -1.408 -10.466 1.00 0.00 N ATOM 1505 CA GLY A 134 12.982 -2.433 -10.204 1.00 0.00 C ATOM 1506 C GLY A 134 12.396 -3.207 -9.035 1.00 0.00 C ATOM 1507 O GLY A 134 12.638 -4.375 -8.805 1.00 0.00 O ATOM 0 H GLY A 134 12.050 -0.529 -9.964 1.00 0.00 H new ATOM 0 HA2 GLY A 134 13.153 -3.072 -11.070 1.00 0.00 H new ATOM 0 HA3 GLY A 134 13.939 -1.976 -9.951 1.00 0.00 H new ATOM 1511 N GLU A 135 11.614 -2.436 -8.343 1.00 0.00 N ATOM 1512 CA GLU A 135 10.849 -2.737 -7.180 1.00 0.00 C ATOM 1513 C GLU A 135 9.565 -3.395 -7.849 1.00 0.00 C ATOM 1514 O GLU A 135 9.387 -3.360 -9.050 1.00 0.00 O ATOM 1515 CB GLU A 135 10.662 -1.452 -6.701 1.00 0.00 C ATOM 1516 CG GLU A 135 11.973 -0.623 -6.571 1.00 0.00 C ATOM 1517 CD GLU A 135 11.648 0.782 -6.044 1.00 0.00 C ATOM 1518 OE1 GLU A 135 10.894 0.866 -5.089 1.00 0.00 O ATOM 1519 OE2 GLU A 135 12.186 1.703 -6.639 1.00 0.00 O ATOM 0 H GLU A 135 11.485 -1.462 -8.618 1.00 0.00 H new ATOM 0 HA GLU A 135 11.211 -3.386 -6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 135 9.976 -0.925 -7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 135 10.181 -1.507 -5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 135 12.666 -1.124 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 135 12.468 -0.553 -7.540 1.00 0.00 H new ATOM 1526 N LEU A 136 8.742 -3.953 -7.017 1.00 0.00 N ATOM 1527 CA LEU A 136 7.494 -4.639 -7.115 1.00 0.00 C ATOM 1528 C LEU A 136 6.179 -3.899 -6.864 1.00 0.00 C ATOM 1529 O LEU A 136 5.618 -3.252 -7.727 1.00 0.00 O ATOM 1530 CB LEU A 136 7.926 -5.708 -6.235 1.00 0.00 C ATOM 1531 CG LEU A 136 7.152 -6.899 -6.110 1.00 0.00 C ATOM 1532 CD1 LEU A 136 6.052 -6.888 -7.053 1.00 0.00 C ATOM 1533 CD2 LEU A 136 8.159 -7.971 -6.360 1.00 0.00 C ATOM 0 H LEU A 136 9.001 -3.924 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 136 7.125 -4.907 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 136 8.924 -6.005 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 136 8.025 -5.282 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 136 6.663 -7.031 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 136 5.471 -7.804 -6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 136 5.413 -6.027 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 136 6.444 -6.825 -8.068 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.677 -8.946 -6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.583 -7.847 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.953 -7.905 -5.617 1.00 0.00 H new ATOM 1545 N SER A 137 5.760 -4.046 -5.648 1.00 0.00 N ATOM 1546 CA SER A 137 4.464 -3.428 -5.192 1.00 0.00 C ATOM 1547 C SER A 137 4.409 -3.097 -3.712 1.00 0.00 C ATOM 1548 O SER A 137 5.399 -3.230 -3.032 1.00 0.00 O ATOM 1549 CB SER A 137 3.378 -4.426 -5.640 1.00 0.00 C ATOM 1550 OG SER A 137 2.172 -4.133 -4.959 1.00 0.00 O ATOM 0 H SER A 137 6.257 -4.573 -4.930 1.00 0.00 H new ATOM 0 HA SER A 137 4.324 -2.444 -5.640 1.00 0.00 H new ATOM 0 HB2 SER A 137 3.227 -4.360 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 137 3.693 -5.447 -5.425 1.00 0.00 H new ATOM 0 HG SER A 137 1.816 -3.277 -5.277 1.00 0.00 H new ATOM 1556 N ILE A 138 3.272 -2.656 -3.245 1.00 0.00 N ATOM 1557 CA ILE A 138 3.161 -2.328 -1.795 1.00 0.00 C ATOM 1558 C ILE A 138 2.498 -3.494 -1.119 1.00 0.00 C ATOM 1559 O ILE A 138 1.667 -4.162 -1.689 1.00 0.00 O ATOM 1560 CB ILE A 138 2.304 -1.092 -1.569 1.00 0.00 C ATOM 1561 CG1 ILE A 138 3.229 0.074 -1.536 1.00 0.00 C ATOM 1562 CG2 ILE A 138 1.625 -1.153 -0.182 1.00 0.00 C ATOM 1563 CD1 ILE A 138 2.425 1.328 -1.871 1.00 0.00 C ATOM 0 H ILE A 138 2.426 -2.510 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 138 4.156 -2.132 -1.395 1.00 0.00 H new ATOM 0 HB ILE A 138 1.548 -1.022 -2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.688 0.168 -0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 138 4.038 -0.062 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 138 1.015 -0.261 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.992 -2.039 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 138 2.388 -1.202 0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 138 3.082 2.197 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.987 1.225 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.631 1.458 -1.136 1.00 0.00 H new ATOM 1575 N HIS A 139 2.892 -3.695 0.096 1.00 0.00 N ATOM 1576 CA HIS A 139 2.328 -4.816 0.884 1.00 0.00 C ATOM 1577 C HIS A 139 1.618 -4.222 2.086 1.00 0.00 C ATOM 1578 O HIS A 139 2.195 -4.061 3.143 1.00 0.00 O ATOM 1579 CB HIS A 139 3.501 -5.730 1.236 1.00 0.00 C ATOM 1580 CG HIS A 139 3.050 -6.873 2.148 1.00 0.00 C ATOM 1581 ND1 HIS A 139 3.834 -7.758 2.666 1.00 0.00 N ATOM 1582 CD2 HIS A 139 1.788 -7.231 2.597 1.00 0.00 C ATOM 1583 CE1 HIS A 139 3.138 -8.594 3.372 1.00 0.00 C ATOM 1584 NE2 HIS A 139 1.861 -8.304 3.358 1.00 0.00 N ATOM 0 H HIS A 139 3.586 -3.128 0.584 1.00 0.00 H new ATOM 0 HA HIS A 139 1.589 -5.414 0.351 1.00 0.00 H new ATOM 0 HB2 HIS A 139 3.936 -6.138 0.323 1.00 0.00 H new ATOM 0 HB3 HIS A 139 4.282 -5.152 1.730 1.00 0.00 H new ATOM 0 HD2 HIS A 139 0.876 -6.705 2.357 1.00 0.00 H new ATOM 0 HE1 HIS A 139 3.561 -9.430 3.908 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.100 -8.795 3.827 1.00 0.00 H new ATOM 1592 N CYS A 140 0.358 -3.934 1.866 1.00 0.00 N ATOM 1593 CA CYS A 140 -0.468 -3.318 2.949 1.00 0.00 C ATOM 1594 C CYS A 140 -1.244 -4.148 3.957 1.00 0.00 C ATOM 1595 O CYS A 140 -1.760 -5.237 3.722 1.00 0.00 O ATOM 1596 CB CYS A 140 -1.458 -2.373 2.292 1.00 0.00 C ATOM 1597 SG CYS A 140 -2.537 -1.391 3.364 1.00 0.00 S ATOM 0 H CYS A 140 -0.132 -4.098 0.987 1.00 0.00 H new ATOM 0 HA CYS A 140 0.311 -2.889 3.579 1.00 0.00 H new ATOM 0 HB2 CYS A 140 -0.894 -1.683 1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 140 -2.092 -2.962 1.629 1.00 0.00 H new ATOM 0 HG CYS A 140 -1.819 -0.780 4.260 1.00 0.00 H new ATOM 1603 N THR A 141 -1.228 -3.450 5.077 1.00 0.00 N ATOM 1604 CA THR A 141 -1.862 -3.863 6.355 1.00 0.00 C ATOM 1605 C THR A 141 -2.520 -2.768 7.235 1.00 0.00 C ATOM 1606 O THR A 141 -3.387 -3.142 8.000 1.00 0.00 O ATOM 1607 CB THR A 141 -0.840 -4.550 7.227 1.00 0.00 C ATOM 1608 OG1 THR A 141 0.206 -3.598 7.362 1.00 0.00 O ATOM 1609 CG2 THR A 141 -0.257 -5.693 6.453 1.00 0.00 C ATOM 0 H THR A 141 -0.762 -2.545 5.144 1.00 0.00 H new ATOM 0 HA THR A 141 -2.679 -4.498 6.013 1.00 0.00 H new ATOM 0 HB THR A 141 -1.263 -4.893 8.171 1.00 0.00 H new ATOM 0 HG1 THR A 141 0.918 -3.971 7.923 1.00 0.00 H new ATOM 0 HG21 THR A 141 0.486 -6.205 7.065 1.00 0.00 H new ATOM 0 HG22 THR A 141 -1.049 -6.391 6.183 1.00 0.00 H new ATOM 0 HG23 THR A 141 0.217 -5.315 5.547 1.00 0.00 H new ATOM 1617 N GLU A 142 -2.173 -1.490 7.174 1.00 0.00 N ATOM 1618 CA GLU A 142 -2.884 -0.548 8.107 1.00 0.00 C ATOM 1619 C GLU A 142 -3.380 0.687 7.390 1.00 0.00 C ATOM 1620 O GLU A 142 -2.706 1.176 6.510 1.00 0.00 O ATOM 1621 CB GLU A 142 -1.909 -0.172 9.219 1.00 0.00 C ATOM 1622 CG GLU A 142 -1.700 -1.395 10.125 1.00 0.00 C ATOM 1623 CD GLU A 142 -0.455 -1.190 10.985 1.00 0.00 C ATOM 1624 OE1 GLU A 142 0.608 -1.428 10.436 1.00 0.00 O ATOM 1625 OE2 GLU A 142 -0.638 -0.813 12.130 1.00 0.00 O ATOM 0 H GLU A 142 -1.471 -1.081 6.557 1.00 0.00 H new ATOM 0 HA GLU A 142 -3.765 -1.040 8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -0.958 0.151 8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -2.300 0.665 9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -2.573 -1.542 10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -1.591 -2.295 9.519 1.00 0.00 H new ATOM 1632 N LEU A 143 -4.535 1.170 7.778 1.00 0.00 N ATOM 1633 CA LEU A 143 -5.051 2.377 7.083 1.00 0.00 C ATOM 1634 C LEU A 143 -5.631 3.507 7.956 1.00 0.00 C ATOM 1635 O LEU A 143 -6.056 3.314 9.077 1.00 0.00 O ATOM 1636 CB LEU A 143 -6.126 1.905 6.075 1.00 0.00 C ATOM 1637 CG LEU A 143 -5.692 0.583 5.369 1.00 0.00 C ATOM 1638 CD1 LEU A 143 -6.155 -0.652 6.172 1.00 0.00 C ATOM 1639 CD2 LEU A 143 -6.316 0.486 3.996 1.00 0.00 C ATOM 0 H LEU A 143 -5.122 0.792 8.521 1.00 0.00 H new ATOM 0 HA LEU A 143 -4.179 2.840 6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -7.072 1.750 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -6.295 2.681 5.329 1.00 0.00 H new ATOM 0 HG LEU A 143 -4.604 0.601 5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.839 -1.560 5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.711 -0.626 7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.242 -0.643 6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -6.002 -0.442 3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -7.402 0.498 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -5.994 1.333 3.390 1.00 0.00 H new ATOM 1651 N ARG A 144 -5.602 4.668 7.352 1.00 0.00 N ATOM 1652 CA ARG A 144 -6.114 5.954 7.957 1.00 0.00 C ATOM 1653 C ARG A 144 -6.946 6.462 6.790 1.00 0.00 C ATOM 1654 O ARG A 144 -6.709 7.492 6.186 1.00 0.00 O ATOM 1655 CB ARG A 144 -4.989 6.977 8.250 1.00 0.00 C ATOM 1656 CG ARG A 144 -4.091 6.505 9.398 1.00 0.00 C ATOM 1657 CD ARG A 144 -3.030 5.523 8.902 1.00 0.00 C ATOM 1658 NE ARG A 144 -2.245 5.087 10.088 1.00 0.00 N ATOM 1659 CZ ARG A 144 -2.242 3.824 10.411 1.00 0.00 C ATOM 1660 NH1 ARG A 144 -1.359 3.043 9.854 1.00 0.00 N ATOM 1661 NH2 ARG A 144 -3.117 3.393 11.276 1.00 0.00 N ATOM 0 H ARG A 144 -5.225 4.789 6.412 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.620 5.814 8.912 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -4.388 7.126 7.353 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -5.429 7.942 8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -3.607 7.365 9.861 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -4.699 6.029 10.167 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -3.496 4.667 8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -2.382 5.997 8.165 1.00 0.00 H new ATOM 0 HE ARG A 144 -1.718 5.765 10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -0.692 3.424 9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -1.335 2.051 10.089 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -3.789 4.041 11.688 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -3.130 2.408 11.541 1.00 0.00 H new ATOM 1675 N LEU A 145 -7.912 5.635 6.532 1.00 0.00 N ATOM 1676 CA LEU A 145 -8.890 5.770 5.491 1.00 0.00 C ATOM 1677 C LEU A 145 -10.290 6.423 5.478 1.00 0.00 C ATOM 1678 O LEU A 145 -11.230 5.677 5.643 1.00 0.00 O ATOM 1679 CB LEU A 145 -8.762 4.307 5.161 1.00 0.00 C ATOM 1680 CG LEU A 145 -9.508 3.788 4.119 1.00 0.00 C ATOM 1681 CD1 LEU A 145 -9.358 4.735 3.103 1.00 0.00 C ATOM 1682 CD2 LEU A 145 -8.762 2.574 3.696 1.00 0.00 C ATOM 0 H LEU A 145 -8.049 4.787 7.082 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.706 6.620 4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -7.712 4.109 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -9.014 3.744 6.059 1.00 0.00 H new ATOM 0 HG LEU A 145 -10.551 3.573 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -9.916 4.416 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -9.738 5.698 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.303 4.831 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -9.285 2.095 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -7.759 2.856 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -8.694 1.879 4.533 1.00 0.00 H new ATOM 1694 N LEU A 146 -10.421 7.730 5.299 1.00 0.00 N ATOM 1695 CA LEU A 146 -11.603 8.478 5.238 1.00 0.00 C ATOM 1696 C LEU A 146 -11.328 9.805 4.588 1.00 0.00 C ATOM 1697 O LEU A 146 -11.674 10.018 3.457 1.00 0.00 O ATOM 1698 CB LEU A 146 -12.262 8.845 6.613 1.00 0.00 C ATOM 1699 CG LEU A 146 -13.701 8.777 6.271 1.00 0.00 C ATOM 1700 CD1 LEU A 146 -13.932 9.389 4.829 1.00 0.00 C ATOM 1701 CD2 LEU A 146 -13.763 7.310 6.353 1.00 0.00 C ATOM 0 H LEU A 146 -9.600 8.324 5.185 1.00 0.00 H new ATOM 0 HA LEU A 146 -12.283 7.825 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -11.992 8.140 7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -11.968 9.836 6.959 1.00 0.00 H new ATOM 0 HG LEU A 146 -14.444 9.313 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -14.991 9.339 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -13.606 10.429 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -13.358 8.821 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -14.776 6.976 6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -13.071 6.876 5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -13.487 6.990 7.358 1.00 0.00 H new ATOM 1713 N THR A 147 -10.711 10.531 5.469 1.00 0.00 N ATOM 1714 CA THR A 147 -10.179 11.935 5.514 1.00 0.00 C ATOM 1715 C THR A 147 -9.973 12.943 4.395 1.00 0.00 C ATOM 1716 O THR A 147 -9.251 12.778 3.437 1.00 0.00 O ATOM 1717 CB THR A 147 -8.895 11.888 6.232 1.00 0.00 C ATOM 1718 OG1 THR A 147 -8.504 10.524 6.283 1.00 0.00 O ATOM 1719 CG2 THR A 147 -9.177 12.380 7.643 1.00 0.00 C ATOM 0 H THR A 147 -10.513 10.093 6.369 1.00 0.00 H new ATOM 0 HA THR A 147 -11.101 12.363 5.907 1.00 0.00 H new ATOM 0 HB THR A 147 -8.118 12.489 5.759 1.00 0.00 H new ATOM 0 HG1 THR A 147 -8.458 10.163 5.373 1.00 0.00 H new ATOM 0 HG21 THR A 147 -8.255 12.366 8.224 1.00 0.00 H new ATOM 0 HG22 THR A 147 -9.565 13.398 7.603 1.00 0.00 H new ATOM 0 HG23 THR A 147 -9.913 11.729 8.115 1.00 0.00 H new ATOM 1727 N LYS A 148 -10.682 14.008 4.684 1.00 0.00 N ATOM 1728 CA LYS A 148 -10.794 15.244 3.864 1.00 0.00 C ATOM 1729 C LYS A 148 -9.643 15.622 2.942 1.00 0.00 C ATOM 1730 O LYS A 148 -8.703 16.286 3.327 1.00 0.00 O ATOM 1731 CB LYS A 148 -11.104 16.379 4.853 1.00 0.00 C ATOM 1732 CG LYS A 148 -10.036 16.532 5.944 1.00 0.00 C ATOM 1733 CD LYS A 148 -10.499 17.661 6.873 1.00 0.00 C ATOM 1734 CE LYS A 148 -9.400 17.954 7.892 1.00 0.00 C ATOM 1735 NZ LYS A 148 -8.188 18.458 7.187 1.00 0.00 N ATOM 0 H LYS A 148 -11.235 14.063 5.539 1.00 0.00 H new ATOM 0 HA LYS A 148 -11.577 15.050 3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -11.193 17.317 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -12.070 16.191 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -9.916 15.601 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -9.067 16.768 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -10.722 18.557 6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -11.418 17.374 7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -9.747 18.693 8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -9.158 17.050 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -7.614 19.024 7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -7.627 17.653 6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -8.476 19.049 6.381 1.00 0.00 H new ATOM 1749 N ALA A 149 -9.794 15.152 1.731 1.00 0.00 N ATOM 1750 CA ALA A 149 -8.820 15.380 0.633 1.00 0.00 C ATOM 1751 C ALA A 149 -7.861 16.556 0.833 1.00 0.00 C ATOM 1752 O ALA A 149 -6.688 16.262 0.985 1.00 0.00 O ATOM 1753 CB ALA A 149 -9.655 15.554 -0.612 1.00 0.00 C ATOM 1754 OXT ALA A 149 -8.358 17.669 0.824 1.00 0.00 O ATOM 0 H ALA A 149 -10.598 14.590 1.451 1.00 0.00 H new ATOM 0 HA ALA A 149 -8.141 14.529 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -9.002 15.727 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -10.246 14.654 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -10.322 16.407 -0.487 1.00 0.00 H new TER 1760 ALA A 149