USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 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 115 CYS SG : rot -168:sc= 0.377 USER MOD Set 1.2: A 118 CYS SG : rot 120:sc= 0.226 USER MOD Set 1.3: A 137 CYS SG : rot -62:sc= -0.628 USER MOD Set 2.1: A 87 CYS SG : rot -167:sc= 0.912 USER MOD Set 2.2: A 90 CYS SG : rot -53:sc= 1.2 USER MOD Set 2.3: A 109 HIS : no HD1:sc= 0.95 K(o=-2.6,f=-7.1!) USER MOD Set 2.4: A 112 CYS SG : rot 137:sc= -5.62! USER MOD Set 3.1: A 88 SER OG : rot 71:sc= 0.811 USER MOD Set 3.2: A 106 ASN : amide:sc= 0.865 K(o=2,f=0.21!) USER MOD Set 3.3: A 108 TYR OH : rot 180:sc= 0.335 USER MOD Single : A 83 ASN : amide:sc= 0.213 K(o=0.21,f=-5.8!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.907 K(o=0.91,f=-0.04) USER MOD Single : A 93 SER OG : rot 100:sc= 0.0573 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -157:sc= -0.189 (180deg=-1.71) USER MOD Single : A 104 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 164:sc= 1.33 USER MOD Single : A 120 ASN :FLIP amide:sc= -0.543 F(o=-2!,f=-0.54) USER MOD Single : A 129 HIS : no HE2:sc= -0.615 X(o=-0.61,f=-0.93) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -0.0704 K(o=-0.07,f=-1.6!) USER MOD Single : A 134 SER OG : rot 91:sc= 0.201 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 SER OG : rot 180:sc= 0.0632 USER MOD Single : A 414 THR OG1 : rot 93:sc= 1.18 USER MOD Single : A 415 SER OG : rot 180:sc= -1 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -13.711 7.645 -0.217 1.00 0.00 N ATOM 62 CA ARG A 79 -13.173 6.588 -1.067 1.00 0.00 C ATOM 63 C ARG A 79 -13.815 5.255 -0.710 1.00 0.00 C ATOM 64 O ARG A 79 -13.440 4.200 -1.226 1.00 0.00 O ATOM 65 CB ARG A 79 -11.657 6.495 -0.886 1.00 0.00 C ATOM 66 CG ARG A 79 -10.873 6.629 -2.180 1.00 0.00 C ATOM 67 CD ARG A 79 -9.378 6.720 -1.909 1.00 0.00 C ATOM 68 NE ARG A 79 -8.573 6.430 -3.101 1.00 0.00 N ATOM 69 CZ ARG A 79 -7.884 7.353 -3.780 1.00 0.00 C ATOM 70 NH1 ARG A 79 -7.920 8.626 -3.395 1.00 0.00 N ATOM 71 NH2 ARG A 79 -7.161 7.007 -4.843 1.00 0.00 N ATOM 0 HA ARG A 79 -13.396 6.824 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.335 7.274 -0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.414 5.539 -0.423 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.078 5.773 -2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.203 7.518 -2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.138 7.719 -1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.112 6.021 -1.116 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.537 5.466 -3.432 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.473 8.898 -2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.395 9.330 -3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.130 6.033 -5.144 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.638 7.716 -5.357 1.00 0.00 H new ATOM 85 N LEU A 80 -14.798 5.322 0.169 1.00 0.00 N ATOM 86 CA LEU A 80 -15.412 4.135 0.736 1.00 0.00 C ATOM 87 C LEU A 80 -16.906 4.113 0.444 1.00 0.00 C ATOM 88 O LEU A 80 -17.651 4.960 0.938 1.00 0.00 O ATOM 89 CB LEU A 80 -15.168 4.111 2.244 1.00 0.00 C ATOM 90 CG LEU A 80 -14.490 5.366 2.801 1.00 0.00 C ATOM 91 CD1 LEU A 80 -15.518 6.313 3.398 1.00 0.00 C ATOM 92 CD2 LEU A 80 -13.442 4.997 3.834 1.00 0.00 C ATOM 0 H LEU A 80 -15.193 6.199 0.510 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.964 3.251 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -16.123 3.975 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -14.553 3.244 2.485 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.993 5.877 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.015 7.198 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.230 6.610 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -16.048 5.811 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.973 5.904 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.915 4.459 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.684 4.363 3.373 1.00 0.00 H new ATOM 104 N PHE A 81 -17.331 3.146 -0.363 1.00 0.00 N ATOM 105 CA PHE A 81 -18.735 3.013 -0.745 1.00 0.00 C ATOM 106 C PHE A 81 -19.623 2.776 0.476 1.00 0.00 C ATOM 107 O PHE A 81 -20.755 3.256 0.535 1.00 0.00 O ATOM 108 CB PHE A 81 -18.908 1.866 -1.745 1.00 0.00 C ATOM 109 CG PHE A 81 -18.560 2.232 -3.165 1.00 0.00 C ATOM 110 CD1 PHE A 81 -17.704 3.289 -3.441 1.00 0.00 C ATOM 111 CD2 PHE A 81 -19.097 1.517 -4.225 1.00 0.00 C ATOM 112 CE1 PHE A 81 -17.390 3.623 -4.746 1.00 0.00 C ATOM 113 CE2 PHE A 81 -18.786 1.848 -5.531 1.00 0.00 C ATOM 114 CZ PHE A 81 -17.931 2.902 -5.792 1.00 0.00 C ATOM 0 H PHE A 81 -16.719 2.438 -0.768 1.00 0.00 H new ATOM 0 HA PHE A 81 -19.042 3.948 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -18.284 1.029 -1.433 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -19.942 1.522 -1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -17.278 3.857 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -19.766 0.692 -4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -16.722 4.447 -4.947 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -19.211 1.283 -6.347 1.00 0.00 H new ATOM 0 HZ PHE A 81 -17.687 3.161 -6.812 1.00 0.00 H new ATOM 124 N GLY A 82 -19.099 2.038 1.445 1.00 0.00 N ATOM 125 CA GLY A 82 -19.841 1.758 2.660 1.00 0.00 C ATOM 126 C GLY A 82 -19.081 2.181 3.897 1.00 0.00 C ATOM 127 O GLY A 82 -19.276 1.615 4.972 1.00 0.00 O ATOM 0 H GLY A 82 -18.167 1.625 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -20.799 2.277 2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -20.058 0.691 2.715 1.00 0.00 H new ATOM 131 N ASN A 83 -18.206 3.173 3.721 1.00 0.00 N ATOM 132 CA ASN A 83 -17.404 3.748 4.807 1.00 0.00 C ATOM 133 C ASN A 83 -16.335 2.782 5.332 1.00 0.00 C ATOM 134 O ASN A 83 -16.385 1.576 5.077 1.00 0.00 O ATOM 135 CB ASN A 83 -18.298 4.212 5.963 1.00 0.00 C ATOM 136 CG ASN A 83 -17.868 5.554 6.517 1.00 0.00 C ATOM 137 OD1 ASN A 83 -16.675 5.851 6.608 1.00 0.00 O ATOM 138 ND2 ASN A 83 -18.837 6.382 6.871 1.00 0.00 N ATOM 0 H ASN A 83 -18.031 3.605 2.814 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.887 4.608 4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -19.330 4.277 5.618 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -18.274 3.468 6.759 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -18.610 7.307 7.236 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -19.812 6.095 6.779 1.00 0.00 H new ATOM 145 N SER A 84 -15.349 3.355 6.029 1.00 0.00 N ATOM 146 CA SER A 84 -14.286 2.611 6.713 1.00 0.00 C ATOM 147 C SER A 84 -13.269 1.976 5.753 1.00 0.00 C ATOM 148 O SER A 84 -12.080 2.309 5.799 1.00 0.00 O ATOM 149 CB SER A 84 -14.889 1.562 7.652 1.00 0.00 C ATOM 150 OG SER A 84 -15.510 2.189 8.765 1.00 0.00 O ATOM 0 H SER A 84 -15.265 4.366 6.136 1.00 0.00 H new ATOM 0 HA SER A 84 -13.725 3.338 7.301 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.620 0.959 7.112 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.109 0.884 7.998 1.00 0.00 H new ATOM 0 HG SER A 84 -15.892 1.506 9.354 1.00 0.00 H new ATOM 156 N GLY A 85 -13.721 1.082 4.890 1.00 0.00 N ATOM 157 CA GLY A 85 -12.802 0.349 4.037 1.00 0.00 C ATOM 158 C GLY A 85 -12.519 1.049 2.723 1.00 0.00 C ATOM 159 O GLY A 85 -13.439 1.342 1.958 1.00 0.00 O ATOM 0 H GLY A 85 -14.706 0.848 4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.863 0.198 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.215 -0.639 3.833 1.00 0.00 H new ATOM 163 N ALA A 86 -11.245 1.330 2.463 1.00 0.00 N ATOM 164 CA ALA A 86 -10.829 1.949 1.209 1.00 0.00 C ATOM 165 C ALA A 86 -9.313 1.898 1.047 1.00 0.00 C ATOM 166 O ALA A 86 -8.572 2.209 1.981 1.00 0.00 O ATOM 167 CB ALA A 86 -11.292 3.396 1.148 1.00 0.00 C ATOM 0 H ALA A 86 -10.479 1.137 3.109 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.289 1.386 0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.972 3.841 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.379 3.433 1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.857 3.953 1.978 1.00 0.00 H new ATOM 173 N CYS A 87 -8.857 1.498 -0.134 1.00 0.00 N ATOM 174 CA CYS A 87 -7.446 1.584 -0.466 1.00 0.00 C ATOM 175 C CYS A 87 -7.173 2.955 -1.067 1.00 0.00 C ATOM 176 O CYS A 87 -7.922 3.437 -1.924 1.00 0.00 O ATOM 177 CB CYS A 87 -7.051 0.447 -1.416 1.00 0.00 C ATOM 178 SG CYS A 87 -5.780 0.849 -2.667 1.00 0.00 S ATOM 0 H CYS A 87 -9.444 1.112 -0.874 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.836 1.470 0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.691 -0.390 -0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.947 0.106 -1.935 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.738 -0.094 -3.561 1.00 0.00 H new ATOM 183 N SER A 88 -6.115 3.592 -0.601 1.00 0.00 N ATOM 184 CA SER A 88 -5.844 4.974 -0.966 1.00 0.00 C ATOM 185 C SER A 88 -5.052 5.083 -2.264 1.00 0.00 C ATOM 186 O SER A 88 -4.610 6.172 -2.637 1.00 0.00 O ATOM 187 CB SER A 88 -5.099 5.673 0.165 1.00 0.00 C ATOM 188 OG SER A 88 -5.666 5.339 1.419 1.00 0.00 O ATOM 0 H SER A 88 -5.429 3.177 0.030 1.00 0.00 H new ATOM 0 HA SER A 88 -6.804 5.464 -1.131 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.048 5.385 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.136 6.753 0.019 1.00 0.00 H new ATOM 0 HG SER A 88 -5.458 4.406 1.634 1.00 0.00 H new ATOM 194 N ALA A 89 -4.875 3.973 -2.962 1.00 0.00 N ATOM 195 CA ALA A 89 -4.144 3.999 -4.216 1.00 0.00 C ATOM 196 C ALA A 89 -5.095 4.055 -5.403 1.00 0.00 C ATOM 197 O ALA A 89 -5.067 5.010 -6.174 1.00 0.00 O ATOM 198 CB ALA A 89 -3.215 2.805 -4.321 1.00 0.00 C ATOM 0 H ALA A 89 -5.223 3.055 -2.686 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.537 4.904 -4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.677 2.845 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.501 2.826 -3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.798 1.885 -4.273 1.00 0.00 H new ATOM 204 N CYS A 90 -5.960 3.057 -5.533 1.00 0.00 N ATOM 205 CA CYS A 90 -6.865 3.000 -6.671 1.00 0.00 C ATOM 206 C CYS A 90 -8.133 3.799 -6.389 1.00 0.00 C ATOM 207 O CYS A 90 -8.447 4.764 -7.084 1.00 0.00 O ATOM 208 CB CYS A 90 -7.206 1.548 -7.027 1.00 0.00 C ATOM 209 SG CYS A 90 -7.977 0.583 -5.680 1.00 0.00 S ATOM 0 H CYS A 90 -6.053 2.285 -4.873 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.361 3.448 -7.528 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.879 1.548 -7.884 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -6.292 1.042 -7.339 1.00 0.00 H new ATOM 0 HG CYS A 90 -7.235 0.654 -4.615 1.00 0.00 H new ATOM 214 N GLY A 91 -8.849 3.400 -5.349 1.00 0.00 N ATOM 215 CA GLY A 91 -10.078 4.070 -4.985 1.00 0.00 C ATOM 216 C GLY A 91 -11.194 3.086 -4.717 1.00 0.00 C ATOM 217 O GLY A 91 -12.304 3.478 -4.356 1.00 0.00 O ATOM 0 H GLY A 91 -8.597 2.617 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.910 4.681 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.374 4.747 -5.786 1.00 0.00 H new ATOM 221 N GLN A 92 -10.902 1.805 -4.908 1.00 0.00 N ATOM 222 CA GLN A 92 -11.883 0.760 -4.661 1.00 0.00 C ATOM 223 C GLN A 92 -11.926 0.416 -3.177 1.00 0.00 C ATOM 224 O GLN A 92 -10.906 0.066 -2.578 1.00 0.00 O ATOM 225 CB GLN A 92 -11.558 -0.495 -5.486 1.00 0.00 C ATOM 226 CG GLN A 92 -12.505 -1.666 -5.234 1.00 0.00 C ATOM 227 CD GLN A 92 -13.959 -1.321 -5.493 1.00 0.00 C ATOM 228 OE1 GLN A 92 -14.332 -0.896 -6.586 1.00 0.00 O ATOM 229 NE2 GLN A 92 -14.790 -1.508 -4.482 1.00 0.00 N ATOM 0 H GLN A 92 -9.996 1.467 -5.232 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.862 1.130 -4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.587 -0.239 -6.545 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.539 -0.811 -5.262 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.217 -2.502 -5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.395 -1.999 -4.202 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.439 -1.862 -3.592 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.782 -1.298 -4.592 1.00 0.00 H new ATOM 238 N SER A 93 -13.102 0.551 -2.582 1.00 0.00 N ATOM 239 CA SER A 93 -13.314 0.114 -1.221 1.00 0.00 C ATOM 240 C SER A 93 -13.121 -1.396 -1.127 1.00 0.00 C ATOM 241 O SER A 93 -13.703 -2.150 -1.907 1.00 0.00 O ATOM 242 CB SER A 93 -14.716 0.513 -0.775 1.00 0.00 C ATOM 243 OG SER A 93 -15.110 1.732 -1.390 1.00 0.00 O ATOM 0 H SER A 93 -13.923 0.962 -3.027 1.00 0.00 H new ATOM 0 HA SER A 93 -12.589 0.592 -0.562 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.423 -0.275 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.741 0.622 0.309 1.00 0.00 H new ATOM 0 HG SER A 93 -15.695 1.540 -2.153 1.00 0.00 H new ATOM 249 N ILE A 94 -12.283 -1.820 -0.189 1.00 0.00 N ATOM 250 CA ILE A 94 -11.906 -3.222 -0.061 1.00 0.00 C ATOM 251 C ILE A 94 -13.098 -4.097 0.326 1.00 0.00 C ATOM 252 O ILE A 94 -13.727 -3.887 1.367 1.00 0.00 O ATOM 253 CB ILE A 94 -10.779 -3.404 0.976 1.00 0.00 C ATOM 254 CG1 ILE A 94 -9.721 -2.310 0.812 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.148 -4.781 0.845 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.339 -1.634 2.113 1.00 0.00 C ATOM 0 H ILE A 94 -11.848 -1.206 0.500 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.546 -3.539 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.211 -3.320 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.828 -2.745 0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.094 -1.557 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.355 -4.890 1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -10.907 -5.546 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.729 -4.896 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.585 -0.871 1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.221 -1.169 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.936 -2.375 2.803 1.00 0.00 H new ATOM 268 N PRO A 95 -13.437 -5.071 -0.530 1.00 0.00 N ATOM 269 CA PRO A 95 -14.503 -6.032 -0.267 1.00 0.00 C ATOM 270 C PRO A 95 -14.064 -7.110 0.720 1.00 0.00 C ATOM 271 O PRO A 95 -12.876 -7.265 0.999 1.00 0.00 O ATOM 272 CB PRO A 95 -14.785 -6.657 -1.648 1.00 0.00 C ATOM 273 CG PRO A 95 -13.953 -5.885 -2.623 1.00 0.00 C ATOM 274 CD PRO A 95 -12.816 -5.307 -1.834 1.00 0.00 C ATOM 0 HA PRO A 95 -15.376 -5.558 0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.521 -7.714 -1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.844 -6.590 -1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.585 -6.532 -3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.539 -5.097 -3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.975 -5.997 -1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.438 -4.386 -2.278 1.00 0.00 H new ATOM 282 N ALA A 96 -15.024 -7.869 1.232 1.00 0.00 N ATOM 283 CA ALA A 96 -14.728 -8.922 2.196 1.00 0.00 C ATOM 284 C ALA A 96 -14.129 -10.151 1.516 1.00 0.00 C ATOM 285 O ALA A 96 -13.823 -11.150 2.169 1.00 0.00 O ATOM 286 CB ALA A 96 -15.983 -9.299 2.966 1.00 0.00 C ATOM 0 H ALA A 96 -16.012 -7.776 0.997 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.986 -8.537 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -15.748 -10.086 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.360 -8.425 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.743 -9.656 2.271 1.00 0.00 H new ATOM 292 N SER A 97 -13.960 -10.067 0.205 1.00 0.00 N ATOM 293 CA SER A 97 -13.392 -11.156 -0.566 1.00 0.00 C ATOM 294 C SER A 97 -12.051 -10.748 -1.180 1.00 0.00 C ATOM 295 O SER A 97 -11.595 -11.342 -2.158 1.00 0.00 O ATOM 296 CB SER A 97 -14.373 -11.574 -1.661 1.00 0.00 C ATOM 297 OG SER A 97 -15.569 -10.800 -1.596 1.00 0.00 O ATOM 0 H SER A 97 -14.211 -9.248 -0.348 1.00 0.00 H new ATOM 0 HA SER A 97 -13.214 -12.001 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.907 -11.450 -2.639 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.614 -12.632 -1.555 1.00 0.00 H new ATOM 0 HG SER A 97 -16.181 -11.083 -2.307 1.00 0.00 H new ATOM 303 N GLU A 98 -11.427 -9.729 -0.596 1.00 0.00 N ATOM 304 CA GLU A 98 -10.133 -9.244 -1.058 1.00 0.00 C ATOM 305 C GLU A 98 -9.222 -8.992 0.136 1.00 0.00 C ATOM 306 O GLU A 98 -9.696 -8.856 1.263 1.00 0.00 O ATOM 307 CB GLU A 98 -10.300 -7.962 -1.878 1.00 0.00 C ATOM 308 CG GLU A 98 -9.457 -7.934 -3.145 1.00 0.00 C ATOM 309 CD GLU A 98 -9.868 -6.831 -4.104 1.00 0.00 C ATOM 310 OE1 GLU A 98 -10.090 -5.691 -3.650 1.00 0.00 O ATOM 311 OE2 GLU A 98 -9.971 -7.103 -5.322 1.00 0.00 O ATOM 0 H GLU A 98 -11.802 -9.220 0.205 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.682 -10.002 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.350 -7.848 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.035 -7.106 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.409 -7.802 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.537 -8.896 -3.650 1.00 0.00 H new ATOM 318 N LEU A 99 -7.922 -8.942 -0.114 1.00 0.00 N ATOM 319 CA LEU A 99 -6.946 -8.730 0.948 1.00 0.00 C ATOM 320 C LEU A 99 -6.129 -7.475 0.673 1.00 0.00 C ATOM 321 O LEU A 99 -5.925 -7.099 -0.483 1.00 0.00 O ATOM 322 CB LEU A 99 -6.017 -9.944 1.082 1.00 0.00 C ATOM 323 CG LEU A 99 -6.643 -11.165 1.758 1.00 0.00 C ATOM 324 CD1 LEU A 99 -6.873 -12.274 0.744 1.00 0.00 C ATOM 325 CD2 LEU A 99 -5.760 -11.658 2.894 1.00 0.00 C ATOM 0 H LEU A 99 -7.517 -9.045 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.486 -8.602 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.676 -10.233 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.134 -9.647 1.648 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.607 -10.871 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.319 -13.135 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.544 -11.919 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.921 -12.564 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.222 -12.527 3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.782 -11.935 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.643 -10.866 3.634 1.00 0.00 H new ATOM 337 N VAL A 100 -5.671 -6.827 1.735 1.00 0.00 N ATOM 338 CA VAL A 100 -4.897 -5.600 1.602 1.00 0.00 C ATOM 339 C VAL A 100 -3.615 -5.674 2.420 1.00 0.00 C ATOM 340 O VAL A 100 -3.516 -6.447 3.371 1.00 0.00 O ATOM 341 CB VAL A 100 -5.706 -4.357 2.037 1.00 0.00 C ATOM 342 CG1 VAL A 100 -6.402 -3.737 0.836 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.709 -4.714 3.128 1.00 0.00 C ATOM 0 H VAL A 100 -5.822 -7.130 2.697 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.650 -5.499 0.545 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.016 -3.622 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.969 -2.862 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.657 -3.438 0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.080 -4.466 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.265 -3.822 3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.401 -5.468 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.179 -5.107 3.995 1.00 0.00 H new ATOM 353 N MET A 101 -2.637 -4.871 2.041 1.00 0.00 N ATOM 354 CA MET A 101 -1.359 -4.839 2.728 1.00 0.00 C ATOM 355 C MET A 101 -1.248 -3.574 3.566 1.00 0.00 C ATOM 356 O MET A 101 -1.451 -2.469 3.059 1.00 0.00 O ATOM 357 CB MET A 101 -0.214 -4.891 1.714 1.00 0.00 C ATOM 358 CG MET A 101 0.137 -6.298 1.258 1.00 0.00 C ATOM 359 SD MET A 101 0.177 -6.465 -0.542 1.00 0.00 S ATOM 360 CE MET A 101 1.877 -6.964 -0.799 1.00 0.00 C ATOM 0 H MET A 101 -2.705 -4.227 1.253 1.00 0.00 H new ATOM 0 HA MET A 101 -1.292 -5.707 3.383 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.485 -4.294 0.843 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.670 -4.430 2.154 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.110 -6.574 1.665 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.591 -6.999 1.667 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.178 -6.718 -1.817 1.00 0.00 H new ATOM 0 HE2 MET A 101 2.521 -6.439 -0.093 1.00 0.00 H new ATOM 0 HE3 MET A 101 1.968 -8.039 -0.643 1.00 0.00 H new ATOM 370 N ARG A 102 -0.944 -3.729 4.847 1.00 0.00 N ATOM 371 CA ARG A 102 -0.793 -2.583 5.732 1.00 0.00 C ATOM 372 C ARG A 102 0.660 -2.132 5.753 1.00 0.00 C ATOM 373 O ARG A 102 1.487 -2.701 6.467 1.00 0.00 O ATOM 374 CB ARG A 102 -1.251 -2.919 7.159 1.00 0.00 C ATOM 375 CG ARG A 102 -2.396 -3.920 7.227 1.00 0.00 C ATOM 376 CD ARG A 102 -2.408 -4.666 8.553 1.00 0.00 C ATOM 377 NE ARG A 102 -3.427 -5.719 8.586 1.00 0.00 N ATOM 378 CZ ARG A 102 -4.570 -5.632 9.275 1.00 0.00 C ATOM 379 NH1 ARG A 102 -4.840 -4.553 9.999 1.00 0.00 N ATOM 380 NH2 ARG A 102 -5.442 -6.630 9.258 1.00 0.00 N ATOM 0 H ARG A 102 -0.798 -4.633 5.295 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.421 -1.777 5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.403 -3.316 7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.558 -1.999 7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.344 -3.399 7.093 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.306 -4.634 6.408 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.427 -5.107 8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.591 -3.960 9.363 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.254 -6.570 8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.173 -3.782 10.033 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.714 -4.495 10.521 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.243 -7.472 8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.312 -6.556 9.786 1.00 0.00 H new ATOM 394 N ALA A 103 0.961 -1.116 4.959 1.00 0.00 N ATOM 395 CA ALA A 103 2.312 -0.578 4.879 1.00 0.00 C ATOM 396 C ALA A 103 2.728 0.034 6.208 1.00 0.00 C ATOM 397 O ALA A 103 3.712 -0.382 6.822 1.00 0.00 O ATOM 398 CB ALA A 103 2.407 0.460 3.769 1.00 0.00 C ATOM 0 H ALA A 103 0.285 -0.645 4.358 1.00 0.00 H new ATOM 0 HA ALA A 103 2.992 -1.399 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.423 0.852 3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.153 -0.003 2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.713 1.275 3.973 1.00 0.00 H new ATOM 404 N GLN A 104 1.959 1.018 6.644 1.00 0.00 N ATOM 405 CA GLN A 104 2.201 1.703 7.904 1.00 0.00 C ATOM 406 C GLN A 104 0.983 2.542 8.253 1.00 0.00 C ATOM 407 O GLN A 104 0.872 3.693 7.825 1.00 0.00 O ATOM 408 CB GLN A 104 3.445 2.593 7.811 1.00 0.00 C ATOM 409 CG GLN A 104 4.508 2.266 8.846 1.00 0.00 C ATOM 410 CD GLN A 104 5.892 2.102 8.239 1.00 0.00 C ATOM 411 OE1 GLN A 104 6.822 2.820 8.593 1.00 0.00 O ATOM 412 NE2 GLN A 104 6.038 1.152 7.327 1.00 0.00 N ATOM 0 H GLN A 104 1.147 1.365 6.133 1.00 0.00 H new ATOM 0 HA GLN A 104 2.376 0.962 8.684 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.878 2.495 6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 104 3.145 3.635 7.927 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.536 3.058 9.594 1.00 0.00 H new ATOM 0 HG3 GLN A 104 4.233 1.348 9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.240 0.575 7.059 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.948 0.997 6.893 1.00 0.00 H new ATOM 421 N GLY A 105 0.057 1.954 8.997 1.00 0.00 N ATOM 422 CA GLY A 105 -1.185 2.632 9.319 1.00 0.00 C ATOM 423 C GLY A 105 -2.206 2.527 8.199 1.00 0.00 C ATOM 424 O GLY A 105 -3.340 2.110 8.422 1.00 0.00 O ATOM 0 H GLY A 105 0.143 1.015 9.386 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.604 2.205 10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.980 3.683 9.524 1.00 0.00 H new ATOM 428 N ASN A 106 -1.800 2.899 6.990 1.00 0.00 N ATOM 429 CA ASN A 106 -2.691 2.869 5.835 1.00 0.00 C ATOM 430 C ASN A 106 -2.609 1.529 5.106 1.00 0.00 C ATOM 431 O ASN A 106 -1.617 0.805 5.232 1.00 0.00 O ATOM 432 CB ASN A 106 -2.350 4.009 4.874 1.00 0.00 C ATOM 433 CG ASN A 106 -3.555 4.451 4.070 1.00 0.00 C ATOM 434 OD1 ASN A 106 -4.695 4.241 4.484 1.00 0.00 O ATOM 435 ND2 ASN A 106 -3.319 5.061 2.919 1.00 0.00 N ATOM 0 H ASN A 106 -0.856 3.226 6.784 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.711 2.997 6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.961 4.856 5.439 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.559 3.688 4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.097 5.376 2.340 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -2.359 5.216 2.611 1.00 0.00 H new ATOM 442 N VAL A 107 -3.647 1.210 4.337 1.00 0.00 N ATOM 443 CA VAL A 107 -3.718 -0.060 3.624 1.00 0.00 C ATOM 444 C VAL A 107 -3.769 0.160 2.116 1.00 0.00 C ATOM 445 O VAL A 107 -4.363 1.129 1.637 1.00 0.00 O ATOM 446 CB VAL A 107 -4.954 -0.888 4.045 1.00 0.00 C ATOM 447 CG1 VAL A 107 -4.645 -1.745 5.264 1.00 0.00 C ATOM 448 CG2 VAL A 107 -6.149 0.017 4.318 1.00 0.00 C ATOM 0 H VAL A 107 -4.453 1.818 4.192 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.815 -0.612 3.886 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.209 -1.550 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.530 -2.318 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.829 -2.429 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.354 -1.103 6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -7.005 -0.590 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.903 0.712 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.394 0.578 3.416 1.00 0.00 H new ATOM 458 N TYR A 108 -3.130 -0.738 1.378 1.00 0.00 N ATOM 459 CA TYR A 108 -3.135 -0.691 -0.078 1.00 0.00 C ATOM 460 C TYR A 108 -3.340 -2.092 -0.635 1.00 0.00 C ATOM 461 O TYR A 108 -3.179 -3.078 0.082 1.00 0.00 O ATOM 462 CB TYR A 108 -1.822 -0.103 -0.608 1.00 0.00 C ATOM 463 CG TYR A 108 -1.579 1.320 -0.158 1.00 0.00 C ATOM 464 CD1 TYR A 108 -2.156 2.388 -0.832 1.00 0.00 C ATOM 465 CD2 TYR A 108 -0.785 1.594 0.950 1.00 0.00 C ATOM 466 CE1 TYR A 108 -1.950 3.689 -0.417 1.00 0.00 C ATOM 467 CE2 TYR A 108 -0.572 2.892 1.369 1.00 0.00 C ATOM 468 CZ TYR A 108 -1.158 3.935 0.683 1.00 0.00 C ATOM 469 OH TYR A 108 -0.954 5.232 1.105 1.00 0.00 O ATOM 0 H TYR A 108 -2.597 -1.515 1.769 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.953 -0.048 -0.403 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.992 -0.728 -0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.831 -0.136 -1.697 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.776 2.198 -1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.328 0.779 1.491 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.407 4.509 -0.952 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.050 3.090 2.229 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.373 5.232 1.894 1.00 0.00 H new ATOM 479 N HIS A 109 -3.697 -2.181 -1.905 1.00 0.00 N ATOM 480 CA HIS A 109 -3.935 -3.474 -2.539 1.00 0.00 C ATOM 481 C HIS A 109 -2.621 -4.136 -2.924 1.00 0.00 C ATOM 482 O HIS A 109 -1.565 -3.511 -2.880 1.00 0.00 O ATOM 483 CB HIS A 109 -4.785 -3.311 -3.795 1.00 0.00 C ATOM 484 CG HIS A 109 -6.256 -3.279 -3.552 1.00 0.00 C ATOM 485 ND1 HIS A 109 -6.996 -2.163 -3.822 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.078 -4.257 -3.111 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.248 -2.469 -3.548 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.351 -3.740 -3.111 1.00 0.00 N ATOM 0 H HIS A 109 -3.829 -1.377 -2.519 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.462 -4.099 -1.818 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.493 -2.389 -4.297 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -4.561 -4.131 -4.478 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.789 -5.255 -2.815 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -9.081 -1.791 -3.659 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.206 -4.223 -2.835 1.00 0.00 H new ATOM 496 N LEU A 110 -2.705 -5.393 -3.334 1.00 0.00 N ATOM 497 CA LEU A 110 -1.533 -6.139 -3.782 1.00 0.00 C ATOM 498 C LEU A 110 -0.973 -5.546 -5.074 1.00 0.00 C ATOM 499 O LEU A 110 0.230 -5.603 -5.325 1.00 0.00 O ATOM 500 CB LEU A 110 -1.892 -7.612 -4.000 1.00 0.00 C ATOM 501 CG LEU A 110 -2.794 -8.233 -2.930 1.00 0.00 C ATOM 502 CD1 LEU A 110 -3.970 -8.949 -3.577 1.00 0.00 C ATOM 503 CD2 LEU A 110 -1.998 -9.191 -2.060 1.00 0.00 C ATOM 0 H LEU A 110 -3.576 -5.922 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.770 -6.068 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.385 -7.709 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.969 -8.189 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.184 -7.435 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.601 -9.385 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.552 -8.237 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.600 -9.739 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.652 -9.625 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.583 -9.986 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.187 -8.651 -1.571 1.00 0.00 H new ATOM 515 N LYS A 111 -1.857 -4.993 -5.895 1.00 0.00 N ATOM 516 CA LYS A 111 -1.456 -4.363 -7.149 1.00 0.00 C ATOM 517 C LYS A 111 -1.143 -2.884 -6.930 1.00 0.00 C ATOM 518 O LYS A 111 -0.290 -2.305 -7.609 1.00 0.00 O ATOM 519 CB LYS A 111 -2.560 -4.517 -8.203 1.00 0.00 C ATOM 520 CG LYS A 111 -3.891 -4.993 -7.638 1.00 0.00 C ATOM 521 CD LYS A 111 -4.992 -3.967 -7.861 1.00 0.00 C ATOM 522 CE LYS A 111 -6.311 -4.435 -7.267 1.00 0.00 C ATOM 523 NZ LYS A 111 -7.460 -4.187 -8.176 1.00 0.00 N ATOM 0 H LYS A 111 -2.861 -4.968 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.555 -4.861 -7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.710 -3.559 -8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -2.226 -5.223 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.170 -5.936 -8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -3.785 -5.188 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.704 -3.017 -7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.115 -3.788 -8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.249 -5.501 -7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.483 -3.922 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.336 -4.523 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -7.538 -3.168 -8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.312 -4.697 -9.070 1.00 0.00 H new ATOM 537 N CYS A 112 -1.834 -2.290 -5.966 1.00 0.00 N ATOM 538 CA CYS A 112 -1.686 -0.879 -5.656 1.00 0.00 C ATOM 539 C CYS A 112 -0.428 -0.626 -4.818 1.00 0.00 C ATOM 540 O CYS A 112 0.025 0.515 -4.675 1.00 0.00 O ATOM 541 CB CYS A 112 -2.954 -0.405 -4.942 1.00 0.00 C ATOM 542 SG CYS A 112 -4.477 -0.858 -5.839 1.00 0.00 S ATOM 0 H CYS A 112 -2.512 -2.775 -5.378 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.560 -0.308 -6.576 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.985 -0.835 -3.941 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.916 0.678 -4.823 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.364 -1.295 -4.995 1.00 0.00 H new ATOM 547 N PHE A 113 0.136 -1.705 -4.285 1.00 0.00 N ATOM 548 CA PHE A 113 1.407 -1.651 -3.568 1.00 0.00 C ATOM 549 C PHE A 113 2.564 -1.526 -4.559 1.00 0.00 C ATOM 550 O PHE A 113 3.271 -2.496 -4.836 1.00 0.00 O ATOM 551 CB PHE A 113 1.586 -2.915 -2.715 1.00 0.00 C ATOM 552 CG PHE A 113 1.959 -2.644 -1.282 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.653 -1.431 -0.691 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.619 -3.607 -0.528 1.00 0.00 C ATOM 555 CE1 PHE A 113 1.999 -1.180 0.621 1.00 0.00 C ATOM 556 CE2 PHE A 113 2.966 -3.361 0.785 1.00 0.00 C ATOM 557 CZ PHE A 113 2.656 -2.146 1.360 1.00 0.00 C ATOM 0 H PHE A 113 -0.272 -2.638 -4.337 1.00 0.00 H new ATOM 0 HA PHE A 113 1.403 -0.779 -2.914 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.659 -3.488 -2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.356 -3.539 -3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.138 -0.673 -1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.863 -4.559 -0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 113 1.756 -0.229 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.479 -4.117 1.361 1.00 0.00 H new ATOM 0 HZ PHE A 113 2.926 -1.950 2.387 1.00 0.00 H new ATOM 567 N THR A 114 2.744 -0.335 -5.104 1.00 0.00 N ATOM 568 CA THR A 114 3.791 -0.097 -6.088 1.00 0.00 C ATOM 569 C THR A 114 4.563 1.185 -5.772 1.00 0.00 C ATOM 570 O THR A 114 4.007 2.128 -5.202 1.00 0.00 O ATOM 571 CB THR A 114 3.194 -0.005 -7.504 1.00 0.00 C ATOM 572 OG1 THR A 114 1.851 0.498 -7.434 1.00 0.00 O ATOM 573 CG2 THR A 114 3.196 -1.371 -8.173 1.00 0.00 C ATOM 0 H THR A 114 2.179 0.485 -4.883 1.00 0.00 H new ATOM 0 HA THR A 114 4.481 -0.939 -6.045 1.00 0.00 H new ATOM 0 HB THR A 114 3.806 0.675 -8.096 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.476 0.556 -8.338 1.00 0.00 H new ATOM 0 HG21 THR A 114 2.771 -1.287 -9.173 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.219 -1.740 -8.244 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.600 -2.066 -7.582 1.00 0.00 H new ATOM 581 N CYS A 115 5.843 1.209 -6.144 1.00 0.00 N ATOM 582 CA CYS A 115 6.702 2.357 -5.896 1.00 0.00 C ATOM 583 C CYS A 115 6.376 3.505 -6.847 1.00 0.00 C ATOM 584 O CYS A 115 5.827 3.298 -7.933 1.00 0.00 O ATOM 585 CB CYS A 115 8.179 1.963 -5.999 1.00 0.00 C ATOM 586 SG CYS A 115 8.846 1.893 -7.693 1.00 0.00 S ATOM 0 H CYS A 115 6.307 0.437 -6.622 1.00 0.00 H new ATOM 0 HA CYS A 115 6.513 2.704 -4.880 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.770 2.675 -5.422 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.312 0.987 -5.533 1.00 0.00 H new ATOM 0 HG CYS A 115 10.011 1.317 -7.677 1.00 0.00 H new ATOM 591 N SER A 116 6.692 4.715 -6.423 1.00 0.00 N ATOM 592 CA SER A 116 6.353 5.902 -7.192 1.00 0.00 C ATOM 593 C SER A 116 7.332 6.145 -8.346 1.00 0.00 C ATOM 594 O SER A 116 6.908 6.399 -9.475 1.00 0.00 O ATOM 595 CB SER A 116 6.302 7.117 -6.263 1.00 0.00 C ATOM 596 OG SER A 116 5.736 6.765 -5.008 1.00 0.00 O ATOM 0 H SER A 116 7.184 4.903 -5.549 1.00 0.00 H new ATOM 0 HA SER A 116 5.372 5.743 -7.640 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.307 7.512 -6.116 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.713 7.909 -6.724 1.00 0.00 H new ATOM 0 HG SER A 116 5.713 7.554 -4.427 1.00 0.00 H new ATOM 602 N THR A 117 8.628 6.035 -8.073 1.00 0.00 N ATOM 603 CA THR A 117 9.652 6.427 -9.040 1.00 0.00 C ATOM 604 C THR A 117 9.710 5.506 -10.263 1.00 0.00 C ATOM 605 O THR A 117 9.655 5.977 -11.402 1.00 0.00 O ATOM 606 CB THR A 117 11.036 6.459 -8.377 1.00 0.00 C ATOM 607 OG1 THR A 117 10.894 6.679 -6.968 1.00 0.00 O ATOM 608 CG2 THR A 117 11.906 7.548 -8.989 1.00 0.00 C ATOM 0 H THR A 117 8.996 5.678 -7.191 1.00 0.00 H new ATOM 0 HA THR A 117 9.372 7.422 -9.386 1.00 0.00 H new ATOM 0 HB THR A 117 11.522 5.498 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.734 6.454 -6.515 1.00 0.00 H new ATOM 0 HG21 THR A 117 12.881 7.551 -8.503 1.00 0.00 H new ATOM 0 HG22 THR A 117 12.032 7.357 -10.055 1.00 0.00 H new ATOM 0 HG23 THR A 117 11.428 8.517 -8.849 1.00 0.00 H new ATOM 616 N CYS A 118 9.801 4.203 -10.036 1.00 0.00 N ATOM 617 CA CYS A 118 9.962 3.258 -11.134 1.00 0.00 C ATOM 618 C CYS A 118 8.651 2.549 -11.447 1.00 0.00 C ATOM 619 O CYS A 118 8.515 1.919 -12.497 1.00 0.00 O ATOM 620 CB CYS A 118 11.042 2.227 -10.798 1.00 0.00 C ATOM 621 SG CYS A 118 12.133 2.696 -9.413 1.00 0.00 S ATOM 0 H CYS A 118 9.767 3.778 -9.109 1.00 0.00 H new ATOM 0 HA CYS A 118 10.267 3.822 -12.015 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.560 1.279 -10.559 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.654 2.058 -11.684 1.00 0.00 H new ATOM 0 HG CYS A 118 12.036 1.811 -8.465 1.00 0.00 H new ATOM 626 N ARG A 119 7.700 2.660 -10.521 1.00 0.00 N ATOM 627 CA ARG A 119 6.408 1.987 -10.630 1.00 0.00 C ATOM 628 C ARG A 119 6.592 0.481 -10.467 1.00 0.00 C ATOM 629 O ARG A 119 5.852 -0.318 -11.045 1.00 0.00 O ATOM 630 CB ARG A 119 5.710 2.310 -11.963 1.00 0.00 C ATOM 631 CG ARG A 119 4.267 2.778 -11.812 1.00 0.00 C ATOM 632 CD ARG A 119 3.632 2.240 -10.540 1.00 0.00 C ATOM 633 NE ARG A 119 2.294 1.701 -10.774 1.00 0.00 N ATOM 634 CZ ARG A 119 2.040 0.437 -11.122 1.00 0.00 C ATOM 635 NH1 ARG A 119 3.030 -0.404 -11.388 1.00 0.00 N ATOM 636 NH2 ARG A 119 0.787 0.013 -11.223 1.00 0.00 N ATOM 0 H ARG A 119 7.804 3.219 -9.674 1.00 0.00 H new ATOM 0 HA ARG A 119 5.765 2.356 -9.831 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.279 3.082 -12.481 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.729 1.422 -12.595 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.237 3.868 -11.801 1.00 0.00 H new ATOM 0 HG3 ARG A 119 3.686 2.452 -12.675 1.00 0.00 H new ATOM 0 HD2 ARG A 119 4.268 1.460 -10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 119 3.576 3.037 -9.799 1.00 0.00 H new ATOM 0 HE ARG A 119 1.501 2.333 -10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.998 -0.088 -11.328 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.824 -1.367 -11.653 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.015 0.653 -11.035 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.595 -0.953 -11.489 1.00 0.00 H new ATOM 650 N ASN A 120 7.581 0.109 -9.666 1.00 0.00 N ATOM 651 CA ASN A 120 7.886 -1.287 -9.400 1.00 0.00 C ATOM 652 C ASN A 120 6.975 -1.809 -8.293 1.00 0.00 C ATOM 653 O ASN A 120 6.592 -1.067 -7.393 1.00 0.00 O ATOM 654 CB ASN A 120 9.359 -1.432 -8.998 1.00 0.00 C ATOM 655 CG ASN A 120 9.720 -2.833 -8.554 1.00 0.00 C ATOM 656 OD1 ASN A 120 10.464 -2.929 -7.467 1.00 0.00 O flip ATOM 657 ND2 ASN A 120 9.336 -3.820 -9.186 1.00 0.00 N flip ATOM 0 H ASN A 120 8.193 0.767 -9.183 1.00 0.00 H new ATOM 0 HA ASN A 120 7.714 -1.874 -10.302 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.989 -1.152 -9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.579 -0.734 -8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 120 8.762 -3.700 -10.021 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.592 -4.757 -8.874 1.00 0.00 H new ATOM 664 N ARG A 121 6.617 -3.079 -8.365 1.00 0.00 N ATOM 665 CA ARG A 121 5.674 -3.647 -7.416 1.00 0.00 C ATOM 666 C ARG A 121 6.378 -4.122 -6.154 1.00 0.00 C ATOM 667 O ARG A 121 7.429 -4.764 -6.219 1.00 0.00 O ATOM 668 CB ARG A 121 4.919 -4.807 -8.055 1.00 0.00 C ATOM 669 CG ARG A 121 3.717 -5.253 -7.246 1.00 0.00 C ATOM 670 CD ARG A 121 2.646 -5.870 -8.128 1.00 0.00 C ATOM 671 NE ARG A 121 1.700 -6.669 -7.352 1.00 0.00 N ATOM 672 CZ ARG A 121 1.365 -7.922 -7.655 1.00 0.00 C ATOM 673 NH1 ARG A 121 1.855 -8.503 -8.742 1.00 0.00 N ATOM 674 NH2 ARG A 121 0.521 -8.585 -6.874 1.00 0.00 N ATOM 0 H ARG A 121 6.962 -3.734 -9.066 1.00 0.00 H new ATOM 0 HA ARG A 121 4.968 -2.865 -7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.590 -4.513 -9.052 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.599 -5.650 -8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 121 4.032 -5.977 -6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.301 -4.399 -6.711 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.109 -5.081 -8.655 1.00 0.00 H new ATOM 0 HD3 ARG A 121 3.116 -6.497 -8.886 1.00 0.00 H new ATOM 0 HE ARG A 121 1.271 -6.242 -6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.492 -7.990 -9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.595 -9.463 -8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.132 -8.135 -6.046 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.262 -9.545 -7.102 1.00 0.00 H new ATOM 688 N LEU A 122 5.790 -3.800 -5.008 1.00 0.00 N ATOM 689 CA LEU A 122 6.288 -4.276 -3.729 1.00 0.00 C ATOM 690 C LEU A 122 5.774 -5.690 -3.499 1.00 0.00 C ATOM 691 O LEU A 122 4.571 -5.940 -3.573 1.00 0.00 O ATOM 692 CB LEU A 122 5.846 -3.345 -2.592 1.00 0.00 C ATOM 693 CG LEU A 122 5.861 -1.851 -2.931 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.215 -1.045 -1.815 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.284 -1.374 -3.193 1.00 0.00 C ATOM 0 H LEU A 122 4.963 -3.207 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 122 7.378 -4.282 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.837 -3.622 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.495 -3.513 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 122 5.281 -1.698 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.234 0.014 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.182 -1.368 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 122 5.765 -1.203 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.273 -0.311 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 122 7.893 -1.540 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.706 -1.930 -4.031 1.00 0.00 H new ATOM 707 N VAL A 123 6.686 -6.615 -3.238 1.00 0.00 N ATOM 708 CA VAL A 123 6.351 -8.030 -3.206 1.00 0.00 C ATOM 709 C VAL A 123 6.709 -8.637 -1.851 1.00 0.00 C ATOM 710 O VAL A 123 7.751 -8.318 -1.282 1.00 0.00 O ATOM 711 CB VAL A 123 7.101 -8.781 -4.337 1.00 0.00 C ATOM 712 CG1 VAL A 123 7.063 -10.292 -4.147 1.00 0.00 C ATOM 713 CG2 VAL A 123 6.525 -8.400 -5.692 1.00 0.00 C ATOM 0 H VAL A 123 7.666 -6.410 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 123 5.277 -8.133 -3.360 1.00 0.00 H new ATOM 0 HB VAL A 123 8.147 -8.478 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 123 7.601 -10.775 -4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.533 -10.551 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.028 -10.632 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 123 7.060 -8.934 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 123 5.469 -8.667 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 123 6.633 -7.326 -5.844 1.00 0.00 H new ATOM 723 N PRO A 124 5.839 -9.499 -1.302 1.00 0.00 N ATOM 724 CA PRO A 124 6.135 -10.236 -0.073 1.00 0.00 C ATOM 725 C PRO A 124 7.381 -11.105 -0.240 1.00 0.00 C ATOM 726 O PRO A 124 7.376 -12.078 -0.992 1.00 0.00 O ATOM 727 CB PRO A 124 4.889 -11.104 0.152 1.00 0.00 C ATOM 728 CG PRO A 124 4.176 -11.119 -1.156 1.00 0.00 C ATOM 729 CD PRO A 124 4.504 -9.817 -1.824 1.00 0.00 C ATOM 0 HA PRO A 124 6.343 -9.575 0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 124 5.163 -12.112 0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.258 -10.690 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.499 -11.962 -1.766 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.101 -11.223 -1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.508 -9.911 -2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 124 3.779 -9.042 -1.574 1.00 0.00 H new ATOM 737 N GLY A 125 8.443 -10.737 0.455 1.00 0.00 N ATOM 738 CA GLY A 125 9.716 -11.401 0.280 1.00 0.00 C ATOM 739 C GLY A 125 10.745 -10.458 -0.309 1.00 0.00 C ATOM 740 O GLY A 125 11.952 -10.661 -0.166 1.00 0.00 O ATOM 0 H GLY A 125 8.446 -9.984 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 125 10.069 -11.776 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 125 9.593 -12.264 -0.374 1.00 0.00 H new ATOM 744 N ASP A 126 10.260 -9.407 -0.956 1.00 0.00 N ATOM 745 CA ASP A 126 11.122 -8.395 -1.548 1.00 0.00 C ATOM 746 C ASP A 126 11.187 -7.178 -0.632 1.00 0.00 C ATOM 747 O ASP A 126 10.488 -7.126 0.380 1.00 0.00 O ATOM 748 CB ASP A 126 10.602 -7.989 -2.929 1.00 0.00 C ATOM 749 CG ASP A 126 11.720 -7.776 -3.927 1.00 0.00 C ATOM 750 OD1 ASP A 126 12.249 -8.775 -4.459 1.00 0.00 O ATOM 751 OD2 ASP A 126 12.082 -6.610 -4.182 1.00 0.00 O ATOM 0 H ASP A 126 9.263 -9.233 -1.085 1.00 0.00 H new ATOM 0 HA ASP A 126 12.123 -8.809 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 126 9.928 -8.760 -3.302 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.019 -7.072 -2.840 1.00 0.00 H new ATOM 756 N ARG A 127 12.000 -6.195 -0.992 1.00 0.00 N ATOM 757 CA ARG A 127 12.239 -5.047 -0.124 1.00 0.00 C ATOM 758 C ARG A 127 11.453 -3.823 -0.591 1.00 0.00 C ATOM 759 O ARG A 127 11.411 -3.520 -1.785 1.00 0.00 O ATOM 760 CB ARG A 127 13.733 -4.721 -0.079 1.00 0.00 C ATOM 761 CG ARG A 127 14.570 -5.770 0.643 1.00 0.00 C ATOM 762 CD ARG A 127 15.660 -6.346 -0.255 1.00 0.00 C ATOM 763 NE ARG A 127 15.267 -7.622 -0.858 1.00 0.00 N ATOM 764 CZ ARG A 127 14.681 -7.729 -2.048 1.00 0.00 C ATOM 765 NH1 ARG A 127 14.479 -6.642 -2.784 1.00 0.00 N ATOM 766 NH2 ARG A 127 14.309 -8.919 -2.504 1.00 0.00 N ATOM 0 H ARG A 127 12.505 -6.168 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 127 11.896 -5.308 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.103 -4.614 -1.099 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.871 -3.758 0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.026 -5.325 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.922 -6.575 0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.894 -5.631 -1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.571 -6.487 0.327 1.00 0.00 H new ATOM 0 HE ARG A 127 15.453 -8.478 -0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 127 14.773 -5.729 -2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 127 14.030 -6.720 -3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 127 14.472 -9.754 -1.942 1.00 0.00 H new ATOM 0 HH22 ARG A 127 13.860 -8.998 -3.416 1.00 0.00 H new ATOM 780 N PHE A 128 10.836 -3.130 0.357 1.00 0.00 N ATOM 781 CA PHE A 128 10.061 -1.932 0.066 1.00 0.00 C ATOM 782 C PHE A 128 10.443 -0.811 1.038 1.00 0.00 C ATOM 783 O PHE A 128 11.010 -1.069 2.100 1.00 0.00 O ATOM 784 CB PHE A 128 8.554 -2.249 0.130 1.00 0.00 C ATOM 785 CG PHE A 128 7.843 -1.772 1.372 1.00 0.00 C ATOM 786 CD1 PHE A 128 7.944 -2.472 2.565 1.00 0.00 C ATOM 787 CD2 PHE A 128 7.066 -0.623 1.337 1.00 0.00 C ATOM 788 CE1 PHE A 128 7.286 -2.032 3.698 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.407 -0.180 2.466 1.00 0.00 C ATOM 790 CZ PHE A 128 6.520 -0.884 3.649 1.00 0.00 C ATOM 0 H PHE A 128 10.859 -3.381 1.345 1.00 0.00 H new ATOM 0 HA PHE A 128 10.287 -1.590 -0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.069 -1.804 -0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.424 -3.328 0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 128 8.543 -3.370 2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 128 6.976 -0.068 0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.371 -2.586 4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.804 0.715 2.424 1.00 0.00 H new ATOM 0 HZ PHE A 128 6.010 -0.537 4.535 1.00 0.00 H new ATOM 800 N HIS A 129 10.155 0.428 0.661 1.00 0.00 N ATOM 801 CA HIS A 129 10.469 1.575 1.500 1.00 0.00 C ATOM 802 C HIS A 129 9.249 2.476 1.652 1.00 0.00 C ATOM 803 O HIS A 129 8.491 2.676 0.702 1.00 0.00 O ATOM 804 CB HIS A 129 11.633 2.368 0.902 1.00 0.00 C ATOM 805 CG HIS A 129 12.976 1.731 1.117 1.00 0.00 C ATOM 806 ND1 HIS A 129 13.660 1.873 2.300 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.698 0.943 0.281 1.00 0.00 C ATOM 808 CE1 HIS A 129 14.775 1.179 2.155 1.00 0.00 C ATOM 809 NE2 HIS A 129 14.843 0.599 0.951 1.00 0.00 N ATOM 0 H HIS A 129 9.703 0.664 -0.223 1.00 0.00 H new ATOM 0 HA HIS A 129 10.759 1.210 2.485 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.466 2.489 -0.168 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.641 3.367 1.338 1.00 0.00 H new ATOM 0 HD1 HIS A 129 13.368 2.404 3.120 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.423 0.644 -0.720 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.538 1.091 2.915 1.00 0.00 H new ATOM 817 N TYR A 130 9.058 3.001 2.853 1.00 0.00 N ATOM 818 CA TYR A 130 7.961 3.907 3.142 1.00 0.00 C ATOM 819 C TYR A 130 8.510 5.196 3.738 1.00 0.00 C ATOM 820 O TYR A 130 8.860 5.243 4.918 1.00 0.00 O ATOM 821 CB TYR A 130 6.982 3.244 4.119 1.00 0.00 C ATOM 822 CG TYR A 130 5.580 3.809 4.080 1.00 0.00 C ATOM 823 CD1 TYR A 130 4.762 3.634 2.969 1.00 0.00 C ATOM 824 CD2 TYR A 130 5.072 4.512 5.164 1.00 0.00 C ATOM 825 CE1 TYR A 130 3.478 4.146 2.939 1.00 0.00 C ATOM 826 CE2 TYR A 130 3.791 5.027 5.142 1.00 0.00 C ATOM 827 CZ TYR A 130 2.999 4.842 4.029 1.00 0.00 C ATOM 828 OH TYR A 130 1.720 5.349 4.007 1.00 0.00 O ATOM 0 H TYR A 130 9.660 2.810 3.654 1.00 0.00 H new ATOM 0 HA TYR A 130 7.429 4.140 2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 130 6.937 2.177 3.900 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.373 3.346 5.131 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.136 3.089 2.115 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.689 4.658 6.039 1.00 0.00 H new ATOM 0 HE1 TYR A 130 2.855 4.002 2.069 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.411 5.572 5.993 1.00 0.00 H new ATOM 0 HH TYR A 130 1.537 5.811 4.852 1.00 0.00 H new ATOM 838 N ILE A 131 8.589 6.238 2.928 1.00 0.00 N ATOM 839 CA ILE A 131 9.163 7.498 3.376 1.00 0.00 C ATOM 840 C ILE A 131 8.156 8.628 3.230 1.00 0.00 C ATOM 841 O ILE A 131 7.792 9.006 2.117 1.00 0.00 O ATOM 842 CB ILE A 131 10.453 7.854 2.601 1.00 0.00 C ATOM 843 CG1 ILE A 131 11.309 6.601 2.367 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.247 8.910 3.359 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.525 6.846 1.499 1.00 0.00 C ATOM 0 H ILE A 131 8.265 6.238 1.961 1.00 0.00 H new ATOM 0 HA ILE A 131 9.422 7.373 4.428 1.00 0.00 H new ATOM 0 HB ILE A 131 10.172 8.259 1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.635 6.210 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.692 5.832 1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.153 9.152 2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 131 10.641 9.808 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.517 8.526 4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 131 13.080 5.915 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.207 7.208 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.165 7.591 1.971 1.00 0.00 H new ATOM 857 N ASN A 132 7.696 9.138 4.368 1.00 0.00 N ATOM 858 CA ASN A 132 6.729 10.234 4.407 1.00 0.00 C ATOM 859 C ASN A 132 5.458 9.857 3.655 1.00 0.00 C ATOM 860 O ASN A 132 4.995 10.589 2.780 1.00 0.00 O ATOM 861 CB ASN A 132 7.329 11.523 3.835 1.00 0.00 C ATOM 862 CG ASN A 132 6.600 12.763 4.323 1.00 0.00 C ATOM 863 OD1 ASN A 132 6.016 12.769 5.409 1.00 0.00 O ATOM 864 ND2 ASN A 132 6.626 13.822 3.528 1.00 0.00 N ATOM 0 H ASN A 132 7.981 8.805 5.289 1.00 0.00 H new ATOM 0 HA ASN A 132 6.473 10.416 5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.380 11.588 4.116 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.292 11.487 2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.152 14.681 3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 132 7.120 13.779 2.637 1.00 0.00 H new ATOM 871 N GLY A 133 4.913 8.694 3.998 1.00 0.00 N ATOM 872 CA GLY A 133 3.694 8.220 3.368 1.00 0.00 C ATOM 873 C GLY A 133 3.854 7.996 1.874 1.00 0.00 C ATOM 874 O GLY A 133 2.921 8.234 1.107 1.00 0.00 O ATOM 0 H GLY A 133 5.297 8.068 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 133 3.385 7.287 3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.897 8.943 3.539 1.00 0.00 H new ATOM 878 N SER A 134 5.031 7.537 1.457 1.00 0.00 N ATOM 879 CA SER A 134 5.305 7.335 0.042 1.00 0.00 C ATOM 880 C SER A 134 5.952 5.974 -0.169 1.00 0.00 C ATOM 881 O SER A 134 6.800 5.555 0.622 1.00 0.00 O ATOM 882 CB SER A 134 6.203 8.454 -0.503 1.00 0.00 C ATOM 883 OG SER A 134 5.809 9.715 0.012 1.00 0.00 O ATOM 0 H SER A 134 5.805 7.300 2.077 1.00 0.00 H new ATOM 0 HA SER A 134 4.363 7.365 -0.506 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.241 8.256 -0.235 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.152 8.469 -1.592 1.00 0.00 H new ATOM 0 HG SER A 134 6.302 9.899 0.839 1.00 0.00 H new ATOM 889 N LEU A 135 5.532 5.289 -1.223 1.00 0.00 N ATOM 890 CA LEU A 135 6.002 3.941 -1.494 1.00 0.00 C ATOM 891 C LEU A 135 7.210 3.961 -2.419 1.00 0.00 C ATOM 892 O LEU A 135 7.176 4.556 -3.503 1.00 0.00 O ATOM 893 CB LEU A 135 4.879 3.101 -2.105 1.00 0.00 C ATOM 894 CG LEU A 135 3.625 2.968 -1.237 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.432 2.529 -2.078 1.00 0.00 C ATOM 896 CD2 LEU A 135 3.873 1.990 -0.096 1.00 0.00 C ATOM 0 H LEU A 135 4.864 5.647 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 135 6.306 3.490 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.596 3.541 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.265 2.103 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 135 3.394 3.944 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.551 2.441 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.244 3.268 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.646 1.564 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 135 2.973 1.905 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.128 1.012 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.696 2.352 0.521 1.00 0.00 H new ATOM 908 N PHE A 136 8.281 3.329 -1.968 1.00 0.00 N ATOM 909 CA PHE A 136 9.496 3.188 -2.753 1.00 0.00 C ATOM 910 C PHE A 136 9.916 1.728 -2.759 1.00 0.00 C ATOM 911 O PHE A 136 9.471 0.951 -1.909 1.00 0.00 O ATOM 912 CB PHE A 136 10.611 4.060 -2.170 1.00 0.00 C ATOM 913 CG PHE A 136 10.328 5.536 -2.264 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.361 6.184 -3.488 1.00 0.00 C ATOM 915 CD2 PHE A 136 10.023 6.274 -1.130 1.00 0.00 C ATOM 916 CE1 PHE A 136 10.100 7.538 -3.579 1.00 0.00 C ATOM 917 CE2 PHE A 136 9.762 7.627 -1.218 1.00 0.00 C ATOM 918 CZ PHE A 136 9.800 8.259 -2.444 1.00 0.00 C ATOM 0 H PHE A 136 8.332 2.898 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 136 9.308 3.516 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.762 3.793 -1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.543 3.842 -2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.594 5.624 -4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 136 9.989 5.785 -0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.131 8.031 -4.540 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.528 8.191 -0.327 1.00 0.00 H new ATOM 0 HZ PHE A 136 9.595 9.317 -2.514 1.00 0.00 H new ATOM 928 N CYS A 137 10.765 1.349 -3.698 1.00 0.00 N ATOM 929 CA CYS A 137 11.150 -0.043 -3.840 1.00 0.00 C ATOM 930 C CYS A 137 12.613 -0.257 -3.451 1.00 0.00 C ATOM 931 O CYS A 137 13.295 0.673 -3.004 1.00 0.00 O ATOM 932 CB CYS A 137 10.906 -0.499 -5.279 1.00 0.00 C ATOM 933 SG CYS A 137 12.082 0.186 -6.485 1.00 0.00 S ATOM 0 H CYS A 137 11.199 1.982 -4.370 1.00 0.00 H new ATOM 0 HA CYS A 137 10.539 -0.641 -3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 137 10.956 -1.587 -5.317 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.895 -0.215 -5.572 1.00 0.00 H new ATOM 0 HG CYS A 137 11.973 1.481 -6.510 1.00 0.00 H new ATOM 938 N GLU A 138 13.078 -1.490 -3.626 1.00 0.00 N ATOM 939 CA GLU A 138 14.470 -1.850 -3.373 1.00 0.00 C ATOM 940 C GLU A 138 15.368 -1.247 -4.455 1.00 0.00 C ATOM 941 O GLU A 138 16.515 -0.872 -4.195 1.00 0.00 O ATOM 942 CB GLU A 138 14.614 -3.379 -3.331 1.00 0.00 C ATOM 943 CG GLU A 138 15.852 -3.918 -4.034 1.00 0.00 C ATOM 944 CD GLU A 138 16.936 -4.341 -3.068 1.00 0.00 C ATOM 945 OE1 GLU A 138 16.855 -3.981 -1.881 1.00 0.00 O ATOM 946 OE2 GLU A 138 17.878 -5.041 -3.497 1.00 0.00 O ATOM 0 H GLU A 138 12.501 -2.268 -3.947 1.00 0.00 H new ATOM 0 HA GLU A 138 14.779 -1.449 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 138 14.635 -3.700 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 138 13.730 -3.827 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 138 15.571 -4.770 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 138 16.246 -3.153 -4.703 1.00 0.00 H new ATOM 953 N HIS A 139 14.830 -1.149 -5.667 1.00 0.00 N ATOM 954 CA HIS A 139 15.547 -0.542 -6.778 1.00 0.00 C ATOM 955 C HIS A 139 15.700 0.943 -6.512 1.00 0.00 C ATOM 956 O HIS A 139 16.706 1.560 -6.870 1.00 0.00 O ATOM 957 CB HIS A 139 14.796 -0.773 -8.095 1.00 0.00 C ATOM 958 CG HIS A 139 15.683 -0.783 -9.296 1.00 0.00 C ATOM 959 ND1 HIS A 139 16.004 -1.956 -9.933 1.00 0.00 N ATOM 960 CD2 HIS A 139 16.286 0.248 -9.935 1.00 0.00 C ATOM 961 CE1 HIS A 139 16.792 -1.617 -10.938 1.00 0.00 C ATOM 962 NE2 HIS A 139 16.991 -0.292 -10.977 1.00 0.00 N ATOM 0 H HIS A 139 13.896 -1.484 -5.903 1.00 0.00 H new ATOM 0 HA HIS A 139 16.531 -1.001 -6.868 1.00 0.00 H new ATOM 0 HB2 HIS A 139 14.265 -1.723 -8.038 1.00 0.00 H new ATOM 0 HB3 HIS A 139 14.044 0.006 -8.216 1.00 0.00 H new ATOM 0 HD2 HIS A 139 16.223 1.294 -9.673 1.00 0.00 H new ATOM 0 HE1 HIS A 139 17.221 -2.318 -11.639 1.00 0.00 H new ATOM 0 HE2 HIS A 139 17.559 0.217 -11.654 1.00 0.00 H new ATOM 970 N ASP A 140 14.684 1.499 -5.871 1.00 0.00 N ATOM 971 CA ASP A 140 14.688 2.887 -5.442 1.00 0.00 C ATOM 972 C ASP A 140 15.737 3.102 -4.368 1.00 0.00 C ATOM 973 O ASP A 140 16.826 3.600 -4.644 1.00 0.00 O ATOM 974 CB ASP A 140 13.316 3.271 -4.884 1.00 0.00 C ATOM 975 CG ASP A 140 12.476 4.044 -5.867 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.892 5.161 -6.252 1.00 0.00 O ATOM 977 OD2 ASP A 140 11.378 3.560 -6.218 1.00 0.00 O ATOM 0 H ASP A 140 13.829 0.996 -5.633 1.00 0.00 H new ATOM 0 HA ASP A 140 14.919 3.512 -6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.783 2.366 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.451 3.868 -3.982 1.00 0.00 H new ATOM 982 N ARG A 141 15.394 2.679 -3.148 1.00 0.00 N ATOM 983 CA ARG A 141 16.241 2.865 -1.971 1.00 0.00 C ATOM 984 C ARG A 141 16.829 4.275 -1.910 1.00 0.00 C ATOM 985 O ARG A 141 18.027 4.462 -2.112 1.00 0.00 O ATOM 986 CB ARG A 141 17.363 1.826 -1.946 1.00 0.00 C ATOM 987 CG ARG A 141 17.724 1.353 -0.546 1.00 0.00 C ATOM 988 CD ARG A 141 19.224 1.188 -0.377 1.00 0.00 C ATOM 989 NE ARG A 141 19.658 1.478 0.993 1.00 0.00 N ATOM 990 CZ ARG A 141 20.627 0.815 1.630 1.00 0.00 C ATOM 991 NH1 ARG A 141 21.287 -0.160 1.014 1.00 0.00 N ATOM 992 NH2 ARG A 141 20.939 1.135 2.883 1.00 0.00 N ATOM 0 H ARG A 141 14.517 2.196 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 141 15.609 2.729 -1.093 1.00 0.00 H new ATOM 0 HB2 ARG A 141 17.064 0.966 -2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 141 18.250 2.250 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 141 17.352 2.069 0.187 1.00 0.00 H new ATOM 0 HG3 ARG A 141 17.229 0.403 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 141 19.508 0.169 -0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 141 19.742 1.852 -1.069 1.00 0.00 H new ATOM 0 HE ARG A 141 19.190 2.235 1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 141 21.054 -0.404 0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 141 22.026 -0.664 1.504 1.00 0.00 H new ATOM 0 HH21 ARG A 141 20.438 1.887 3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 141 21.679 0.629 3.370 1.00 0.00 H new ATOM 1006 N PRO A 142 15.991 5.288 -1.635 1.00 0.00 N ATOM 1007 CA PRO A 142 16.434 6.682 -1.547 1.00 0.00 C ATOM 1008 C PRO A 142 17.255 6.938 -0.282 1.00 0.00 C ATOM 1009 O PRO A 142 16.751 7.485 0.705 1.00 0.00 O ATOM 1010 CB PRO A 142 15.126 7.488 -1.516 1.00 0.00 C ATOM 1011 CG PRO A 142 14.037 6.509 -1.831 1.00 0.00 C ATOM 1012 CD PRO A 142 14.548 5.165 -1.399 1.00 0.00 C ATOM 0 HA PRO A 142 17.085 6.956 -2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 142 14.971 7.945 -0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 142 15.148 8.297 -2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 142 13.118 6.765 -1.303 1.00 0.00 H new ATOM 0 HG3 PRO A 142 13.805 6.514 -2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.323 4.962 -0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 142 14.108 4.356 -1.982 1.00 0.00 H new ATOM 1020 N THR A 143 18.516 6.533 -0.329 1.00 0.00 N ATOM 1021 CA THR A 143 19.427 6.650 0.799 1.00 0.00 C ATOM 1022 C THR A 143 19.570 8.095 1.271 1.00 0.00 C ATOM 1023 O THR A 143 19.575 8.355 2.470 1.00 0.00 O ATOM 1024 CB THR A 143 20.816 6.087 0.433 1.00 0.00 C ATOM 1025 OG1 THR A 143 20.669 4.792 -0.165 1.00 0.00 O ATOM 1026 CG2 THR A 143 21.714 5.982 1.661 1.00 0.00 C ATOM 0 H THR A 143 18.938 6.111 -1.156 1.00 0.00 H new ATOM 0 HA THR A 143 19.000 6.068 1.616 1.00 0.00 H new ATOM 0 HB THR A 143 21.284 6.773 -0.274 1.00 0.00 H new ATOM 0 HG1 THR A 143 21.552 4.437 -0.398 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.685 5.582 1.369 1.00 0.00 H new ATOM 0 HG22 THR A 143 21.846 6.971 2.101 1.00 0.00 H new ATOM 0 HG23 THR A 143 21.254 5.318 2.393 1.00 0.00 H new ATOM 1034 N ALA A 144 19.655 9.032 0.335 1.00 0.00 N ATOM 1035 CA ALA A 144 19.848 10.438 0.681 1.00 0.00 C ATOM 1036 C ALA A 144 18.588 11.039 1.298 1.00 0.00 C ATOM 1037 O ALA A 144 18.654 12.006 2.056 1.00 0.00 O ATOM 1038 CB ALA A 144 20.264 11.233 -0.546 1.00 0.00 C ATOM 0 H ALA A 144 19.594 8.847 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 144 20.643 10.491 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 144 20.404 12.279 -0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 144 21.199 10.833 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 144 19.488 11.158 -1.308 1.00 0.00 H new ATOM 1044 N LEU A 145 17.446 10.447 0.986 1.00 0.00 N ATOM 1045 CA LEU A 145 16.168 10.944 1.474 1.00 0.00 C ATOM 1046 C LEU A 145 15.919 10.500 2.913 1.00 0.00 C ATOM 1047 O LEU A 145 15.630 11.318 3.788 1.00 0.00 O ATOM 1048 CB LEU A 145 15.033 10.445 0.580 1.00 0.00 C ATOM 1049 CG LEU A 145 14.123 11.532 0.013 1.00 0.00 C ATOM 1050 CD1 LEU A 145 14.356 11.694 -1.481 1.00 0.00 C ATOM 1051 CD2 LEU A 145 12.667 11.199 0.295 1.00 0.00 C ATOM 0 H LEU A 145 17.377 9.619 0.395 1.00 0.00 H new ATOM 0 HA LEU A 145 16.199 12.033 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 145 15.465 9.887 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 145 14.423 9.745 1.152 1.00 0.00 H new ATOM 0 HG LEU A 145 14.362 12.477 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 145 13.699 12.473 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 145 15.395 11.973 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 145 14.141 10.753 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 145 12.029 11.982 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 145 12.415 10.246 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 145 12.511 11.130 1.372 1.00 0.00 H new ATOM 1063 N ILE A 146 16.032 9.202 3.152 1.00 0.00 N ATOM 1064 CA ILE A 146 15.725 8.640 4.463 1.00 0.00 C ATOM 1065 C ILE A 146 16.965 8.596 5.367 1.00 0.00 C ATOM 1066 O ILE A 146 16.850 8.573 6.595 1.00 0.00 O ATOM 1067 CB ILE A 146 15.114 7.219 4.330 1.00 0.00 C ATOM 1068 CG1 ILE A 146 14.700 6.671 5.699 1.00 0.00 C ATOM 1069 CG2 ILE A 146 16.091 6.269 3.654 1.00 0.00 C ATOM 1070 CD1 ILE A 146 13.205 6.674 5.929 1.00 0.00 C ATOM 0 H ILE A 146 16.333 8.518 2.458 1.00 0.00 H new ATOM 0 HA ILE A 146 14.990 9.297 4.928 1.00 0.00 H new ATOM 0 HB ILE A 146 14.223 7.297 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 146 15.072 5.651 5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 146 15.180 7.264 6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 146 15.640 5.280 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 146 16.331 6.642 2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 146 17.004 6.204 4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 146 12.988 6.272 6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 146 12.829 7.695 5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 146 12.719 6.057 5.173 1.00 0.00 H new ATOM 1146 N GLY A 207 15.891 -1.540 4.181 1.00 0.00 N ATOM 1147 CA GLY A 207 14.935 -2.131 3.270 1.00 0.00 C ATOM 1148 C GLY A 207 14.033 -3.123 3.963 1.00 0.00 C ATOM 1149 O GLY A 207 14.437 -4.256 4.230 1.00 0.00 O ATOM 0 HA2 GLY A 207 14.330 -1.345 2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 207 15.467 -2.629 2.459 1.00 0.00 H new ATOM 1153 N SER A 208 12.816 -2.698 4.263 1.00 0.00 N ATOM 1154 CA SER A 208 11.867 -3.543 4.959 1.00 0.00 C ATOM 1155 C SER A 208 11.128 -4.448 3.980 1.00 0.00 C ATOM 1156 O SER A 208 10.850 -4.058 2.846 1.00 0.00 O ATOM 1157 CB SER A 208 10.871 -2.674 5.726 1.00 0.00 C ATOM 1158 OG SER A 208 11.278 -1.313 5.719 1.00 0.00 O ATOM 0 H SER A 208 12.464 -1.769 4.033 1.00 0.00 H new ATOM 0 HA SER A 208 12.412 -4.174 5.661 1.00 0.00 H new ATOM 0 HB2 SER A 208 9.882 -2.765 5.277 1.00 0.00 H new ATOM 0 HB3 SER A 208 10.789 -3.028 6.754 1.00 0.00 H new ATOM 0 HG SER A 208 10.626 -0.774 6.214 1.00 0.00 H new ATOM 1164 N ILE A 404 10.825 -5.656 4.416 1.00 0.00 N ATOM 1165 CA ILE A 404 10.070 -6.595 3.599 1.00 0.00 C ATOM 1166 C ILE A 404 8.584 -6.251 3.658 1.00 0.00 C ATOM 1167 O ILE A 404 8.085 -5.839 4.707 1.00 0.00 O ATOM 1168 CB ILE A 404 10.290 -8.049 4.080 1.00 0.00 C ATOM 1169 CG1 ILE A 404 11.792 -8.358 4.169 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.588 -9.039 3.157 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.496 -8.366 2.828 1.00 0.00 C ATOM 0 H ILE A 404 11.090 -6.014 5.334 1.00 0.00 H new ATOM 0 HA ILE A 404 10.423 -6.517 2.571 1.00 0.00 H new ATOM 0 HB ILE A 404 9.855 -8.152 5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 404 12.268 -7.619 4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 404 11.926 -9.330 4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 404 9.757 -10.054 3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.518 -8.831 3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 404 9.986 -8.940 2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.553 -8.591 2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.048 -9.125 2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.395 -7.388 2.358 1.00 0.00 H new ATOM 1183 N ALA A 405 7.895 -6.390 2.525 1.00 0.00 N ATOM 1184 CA ALA A 405 6.455 -6.148 2.462 1.00 0.00 C ATOM 1185 C ALA A 405 5.725 -6.902 3.567 1.00 0.00 C ATOM 1186 O ALA A 405 5.889 -8.113 3.714 1.00 0.00 O ATOM 1187 CB ALA A 405 5.912 -6.538 1.095 1.00 0.00 C ATOM 0 H ALA A 405 8.313 -6.669 1.637 1.00 0.00 H new ATOM 0 HA ALA A 405 6.281 -5.083 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 405 4.838 -6.352 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 405 6.406 -5.945 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.102 -7.596 0.916 1.00 0.00 H new ATOM 1193 N PRO A 406 4.906 -6.180 4.352 1.00 0.00 N ATOM 1194 CA PRO A 406 4.258 -6.710 5.567 1.00 0.00 C ATOM 1195 C PRO A 406 3.174 -7.754 5.290 1.00 0.00 C ATOM 1196 O PRO A 406 2.425 -8.125 6.196 1.00 0.00 O ATOM 1197 CB PRO A 406 3.636 -5.467 6.219 1.00 0.00 C ATOM 1198 CG PRO A 406 4.239 -4.297 5.513 1.00 0.00 C ATOM 1199 CD PRO A 406 4.558 -4.773 4.131 1.00 0.00 C ATOM 0 HA PRO A 406 4.983 -7.233 6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.551 -5.471 6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.853 -5.435 7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 406 3.545 -3.457 5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 406 5.138 -3.952 6.025 1.00 0.00 H new ATOM 0 HD2 PRO A 406 3.707 -4.666 3.459 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.384 -4.215 3.690 1.00 0.00 H new ATOM 1207 N PHE A 407 3.097 -8.206 4.040 1.00 0.00 N ATOM 1208 CA PHE A 407 2.172 -9.267 3.630 1.00 0.00 C ATOM 1209 C PHE A 407 0.716 -8.788 3.645 1.00 0.00 C ATOM 1210 O PHE A 407 0.382 -7.796 4.294 1.00 0.00 O ATOM 1211 CB PHE A 407 2.337 -10.502 4.528 1.00 0.00 C ATOM 1212 CG PHE A 407 3.402 -11.457 4.065 1.00 0.00 C ATOM 1213 CD1 PHE A 407 4.746 -11.153 4.233 1.00 0.00 C ATOM 1214 CD2 PHE A 407 3.059 -12.660 3.471 1.00 0.00 C ATOM 1215 CE1 PHE A 407 5.725 -12.033 3.816 1.00 0.00 C ATOM 1216 CE2 PHE A 407 4.035 -13.543 3.051 1.00 0.00 C ATOM 1217 CZ PHE A 407 5.368 -13.229 3.223 1.00 0.00 C ATOM 0 H PHE A 407 3.674 -7.848 3.279 1.00 0.00 H new ATOM 0 HA PHE A 407 2.420 -9.539 2.604 1.00 0.00 H new ATOM 0 HB2 PHE A 407 2.573 -10.174 5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 407 1.386 -11.032 4.578 1.00 0.00 H new ATOM 0 HD1 PHE A 407 5.029 -10.219 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 407 2.017 -12.911 3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 407 6.768 -11.787 3.953 1.00 0.00 H new ATOM 0 HE2 PHE A 407 3.755 -14.478 2.589 1.00 0.00 H new ATOM 0 HZ PHE A 407 6.132 -13.918 2.894 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.168 -9.470 2.897 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.585 -9.122 2.839 1.00 0.00 C ATOM 1229 C PRO A 408 -2.392 -9.721 3.989 1.00 0.00 C ATOM 1230 O PRO A 408 -2.070 -10.796 4.508 1.00 0.00 O ATOM 1231 CB PRO A 408 -2.022 -9.720 1.505 1.00 0.00 C ATOM 1232 CG PRO A 408 -1.168 -10.931 1.342 1.00 0.00 C ATOM 1233 CD PRO A 408 0.143 -10.624 2.026 1.00 0.00 C ATOM 0 HA PRO A 408 -1.748 -8.048 2.925 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -3.081 -9.979 1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -1.873 -9.016 0.686 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.644 -11.804 1.788 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -1.012 -11.157 0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.500 -11.476 2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 408 0.922 -10.380 1.304 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.437 -9.010 4.379 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.347 -9.456 5.422 1.00 0.00 C ATOM 1243 C GLU A 409 -5.710 -8.794 5.225 1.00 0.00 C ATOM 1244 O GLU A 409 -5.823 -7.789 4.520 1.00 0.00 O ATOM 1245 CB GLU A 409 -3.776 -9.115 6.807 1.00 0.00 C ATOM 1246 CG GLU A 409 -4.435 -9.865 7.960 1.00 0.00 C ATOM 1247 CD GLU A 409 -4.746 -11.313 7.624 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -3.876 -12.179 7.850 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -5.861 -11.592 7.137 1.00 0.00 O ATOM 0 H GLU A 409 -3.679 -8.103 3.980 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.466 -10.538 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -2.708 -9.333 6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -3.883 -8.044 6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -3.779 -9.832 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -5.358 -9.356 8.237 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.742 -9.367 5.822 1.00 0.00 N ATOM 1257 CA ALA A 410 -8.073 -8.787 5.760 1.00 0.00 C ATOM 1258 C ALA A 410 -8.179 -7.624 6.740 1.00 0.00 C ATOM 1259 O ALA A 410 -7.889 -7.776 7.929 1.00 0.00 O ATOM 1260 CB ALA A 410 -9.130 -9.843 6.053 1.00 0.00 C ATOM 0 H ALA A 410 -6.683 -10.234 6.356 1.00 0.00 H new ATOM 0 HA ALA A 410 -8.248 -8.409 4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -10.120 -9.390 6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -9.059 -10.643 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -8.969 -10.252 7.050 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.559 -6.459 6.235 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.698 -5.275 7.070 1.00 0.00 C ATOM 1268 C ALA A 411 -10.144 -5.122 7.535 1.00 0.00 C ATOM 1269 O ALA A 411 -10.797 -6.107 7.882 1.00 0.00 O ATOM 1270 CB ALA A 411 -8.241 -4.039 6.310 1.00 0.00 C ATOM 0 H ALA A 411 -8.777 -6.309 5.250 1.00 0.00 H new ATOM 0 HA ALA A 411 -8.066 -5.389 7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -8.350 -3.160 6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.195 -4.153 6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.850 -3.917 5.414 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.641 -3.889 7.541 1.00 0.00 N ATOM 1277 CA LEU A 412 -12.035 -3.640 7.870 1.00 0.00 C ATOM 1278 C LEU A 412 -12.871 -3.651 6.600 1.00 0.00 C ATOM 1279 O LEU A 412 -12.725 -2.774 5.745 1.00 0.00 O ATOM 1280 CB LEU A 412 -12.187 -2.302 8.591 1.00 0.00 C ATOM 1281 CG LEU A 412 -13.054 -2.339 9.853 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -12.287 -1.782 11.041 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -14.345 -1.564 9.632 1.00 0.00 C ATOM 0 H LEU A 412 -10.100 -3.052 7.323 1.00 0.00 H new ATOM 0 HA LEU A 412 -12.385 -4.428 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -11.196 -1.937 8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -12.615 -1.579 7.896 1.00 0.00 H new ATOM 0 HG LEU A 412 -13.310 -3.376 10.069 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -12.918 -1.816 11.929 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -11.391 -2.380 11.209 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -12.001 -0.750 10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -14.950 -1.600 10.538 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -14.110 -0.527 9.393 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -14.900 -2.010 8.807 1.00 0.00 H new ATOM 1295 N PRO A 413 -13.737 -4.661 6.446 1.00 0.00 N ATOM 1296 CA PRO A 413 -14.588 -4.793 5.265 1.00 0.00 C ATOM 1297 C PRO A 413 -15.540 -3.616 5.109 1.00 0.00 C ATOM 1298 O PRO A 413 -16.200 -3.207 6.067 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.372 -6.084 5.518 1.00 0.00 C ATOM 1300 CG PRO A 413 -14.600 -6.812 6.563 1.00 0.00 C ATOM 1301 CD PRO A 413 -13.961 -5.752 7.409 1.00 0.00 C ATOM 0 HA PRO A 413 -14.002 -4.815 4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -16.386 -5.869 5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.458 -6.677 4.608 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -15.253 -7.448 7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -13.848 -7.460 6.113 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -14.610 -5.442 8.228 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.028 -6.097 7.854 1.00 0.00 H new ATOM 1309 N THR A 414 -15.598 -3.073 3.905 1.00 0.00 N ATOM 1310 CA THR A 414 -16.451 -1.934 3.619 1.00 0.00 C ATOM 1311 C THR A 414 -17.926 -2.326 3.630 1.00 0.00 C ATOM 1312 O THR A 414 -18.294 -3.388 3.117 1.00 0.00 O ATOM 1313 CB THR A 414 -16.102 -1.322 2.251 1.00 0.00 C ATOM 1314 OG1 THR A 414 -14.697 -1.470 1.992 1.00 0.00 O ATOM 1315 CG2 THR A 414 -16.475 0.151 2.201 1.00 0.00 C ATOM 0 H THR A 414 -15.060 -3.406 3.105 1.00 0.00 H new ATOM 0 HA THR A 414 -16.277 -1.197 4.403 1.00 0.00 H new ATOM 0 HB THR A 414 -16.673 -1.851 1.488 1.00 0.00 H new ATOM 0 HG1 THR A 414 -14.543 -2.294 1.484 1.00 0.00 H new ATOM 0 HG21 THR A 414 -16.218 0.559 1.223 1.00 0.00 H new ATOM 0 HG22 THR A 414 -17.546 0.261 2.369 1.00 0.00 H new ATOM 0 HG23 THR A 414 -15.929 0.691 2.974 1.00 0.00 H new ATOM 1323 N SER A 415 -18.755 -1.451 4.211 1.00 0.00 N ATOM 1324 CA SER A 415 -20.212 -1.628 4.280 1.00 0.00 C ATOM 1325 C SER A 415 -20.606 -2.736 5.263 1.00 0.00 C ATOM 1326 O SER A 415 -19.840 -3.663 5.520 1.00 0.00 O ATOM 1327 CB SER A 415 -20.814 -1.904 2.890 1.00 0.00 C ATOM 1328 OG SER A 415 -19.968 -1.437 1.847 1.00 0.00 O ATOM 0 H SER A 415 -18.430 -0.590 4.652 1.00 0.00 H new ATOM 0 HA SER A 415 -20.624 -0.689 4.650 1.00 0.00 H new ATOM 0 HB2 SER A 415 -20.980 -2.975 2.772 1.00 0.00 H new ATOM 0 HB3 SER A 415 -21.788 -1.420 2.813 1.00 0.00 H new ATOM 0 HG SER A 415 -20.381 -1.631 0.980 1.00 0.00 H new