USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=21 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 84 SER OG : rot -170:sc= 0.958 USER MOD Set 1.2: A 415 SER OG : rot -68:sc= 0.802 USER MOD Set 2.1: A 115 CYS SG : rot 160:sc= 3.21 USER MOD Set 2.2: A 117 THR OG1 : rot 84:sc= 1.34 USER MOD Set 2.3: A 118 CYS SG : rot -47:sc= -2.47! USER MOD Set 2.4: A 120 ASN : amide:sc= -0.287 K(o=-2.2,f=-3.5!) USER MOD Set 2.5: A 137 CYS SG : rot -145:sc= -4! USER MOD Set 3.1: A 87 CYS SG : rot -170:sc= 2.37 USER MOD Set 3.2: A 90 CYS SG : rot 130:sc= 0.607 USER MOD Set 3.3: A 109 HIS : no HD1:sc= -1.6 X(o=-4.9,f=-5.1) USER MOD Set 3.4: A 112 CYS SG : rot -170:sc= -6.27! USER MOD Set 4.1: A 88 SER OG : rot 164:sc= 0.982 USER MOD Set 4.2: A 106 ASN : amide:sc= 0.841 K(o=1.8,f=0.62) USER MOD Single : A 83 ASN : amide:sc= -0.0216 X(o=-0.022,f=-0.26) USER MOD Single : A 92 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.16) USER MOD Single : A 93 SER OG : rot 110:sc= 0.627 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 101 MET CE :methyl 164:sc= -0.268 (180deg=-1.14) USER MOD Single : A 104 GLN : amide:sc= -0.501 K(o=-0.5,f=-2.1!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -150:sc= -0.0446 USER MOD Single : A 116 SER OG : rot 180:sc= 0.0057 USER MOD Single : A 129 HIS : no HD1:sc=-0.00477 X(o=-0.0048,f=-0.31) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -0.0898 K(o=-0.09,f=-0.97) USER MOD Single : A 134 SER OG : rot 76:sc= 1.23 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.865 USER MOD Single : A 208 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 414 THR OG1 : rot -79:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -15.066 7.972 -2.544 1.00 0.00 N ATOM 62 CA ARG A 79 -14.686 7.408 -3.834 1.00 0.00 C ATOM 63 C ARG A 79 -14.998 5.916 -3.909 1.00 0.00 C ATOM 64 O ARG A 79 -14.542 5.237 -4.823 1.00 0.00 O ATOM 65 CB ARG A 79 -13.190 7.637 -4.092 1.00 0.00 C ATOM 66 CG ARG A 79 -12.902 8.463 -5.338 1.00 0.00 C ATOM 67 CD ARG A 79 -12.027 7.702 -6.330 1.00 0.00 C ATOM 68 NE ARG A 79 -10.899 7.013 -5.687 1.00 0.00 N ATOM 69 CZ ARG A 79 -9.613 7.338 -5.869 1.00 0.00 C ATOM 70 NH1 ARG A 79 -9.276 8.320 -6.693 1.00 0.00 N ATOM 71 NH2 ARG A 79 -8.656 6.672 -5.231 1.00 0.00 N ATOM 0 HA ARG A 79 -15.271 7.916 -4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.754 8.137 -3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.695 6.671 -4.185 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.841 8.738 -5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.406 9.391 -5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.638 6.971 -6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.643 8.398 -7.076 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.110 6.236 -5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.999 8.835 -7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.294 8.560 -6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.900 5.909 -4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.678 6.924 -5.373 1.00 0.00 H new ATOM 85 N LEU A 80 -15.793 5.416 -2.969 1.00 0.00 N ATOM 86 CA LEU A 80 -16.089 3.989 -2.912 1.00 0.00 C ATOM 87 C LEU A 80 -17.595 3.744 -2.884 1.00 0.00 C ATOM 88 O LEU A 80 -18.379 4.673 -2.699 1.00 0.00 O ATOM 89 CB LEU A 80 -15.422 3.353 -1.687 1.00 0.00 C ATOM 90 CG LEU A 80 -16.132 3.591 -0.354 1.00 0.00 C ATOM 91 CD1 LEU A 80 -16.329 2.277 0.384 1.00 0.00 C ATOM 92 CD2 LEU A 80 -15.345 4.571 0.501 1.00 0.00 C ATOM 0 H LEU A 80 -16.241 5.973 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.686 3.523 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -15.348 2.278 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -14.404 3.735 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 80 -17.112 4.023 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -16.836 2.464 1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.934 1.605 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -15.359 1.819 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.865 4.729 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.352 4.167 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.253 5.521 -0.025 1.00 0.00 H new ATOM 104 N PHE A 81 -17.985 2.489 -3.057 1.00 0.00 N ATOM 105 CA PHE A 81 -19.393 2.117 -3.082 1.00 0.00 C ATOM 106 C PHE A 81 -19.884 1.818 -1.670 1.00 0.00 C ATOM 107 O PHE A 81 -19.421 0.877 -1.031 1.00 0.00 O ATOM 108 CB PHE A 81 -19.594 0.901 -3.997 1.00 0.00 C ATOM 109 CG PHE A 81 -19.436 1.224 -5.455 1.00 0.00 C ATOM 110 CD1 PHE A 81 -20.251 2.161 -6.064 1.00 0.00 C ATOM 111 CD2 PHE A 81 -18.471 0.585 -6.212 1.00 0.00 C ATOM 112 CE1 PHE A 81 -20.107 2.457 -7.404 1.00 0.00 C ATOM 113 CE2 PHE A 81 -18.321 0.875 -7.554 1.00 0.00 C ATOM 114 CZ PHE A 81 -19.142 1.813 -8.151 1.00 0.00 C ATOM 0 H PHE A 81 -17.342 1.707 -3.183 1.00 0.00 H new ATOM 0 HA PHE A 81 -19.976 2.949 -3.476 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -18.877 0.127 -3.724 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -20.589 0.489 -3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -21.009 2.667 -5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -17.828 -0.149 -5.749 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -20.749 3.192 -7.867 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -17.564 0.370 -8.136 1.00 0.00 H new ATOM 0 HZ PHE A 81 -19.028 2.042 -9.200 1.00 0.00 H new ATOM 124 N GLY A 82 -20.798 2.652 -1.181 1.00 0.00 N ATOM 125 CA GLY A 82 -21.297 2.507 0.177 1.00 0.00 C ATOM 126 C GLY A 82 -20.669 3.523 1.108 1.00 0.00 C ATOM 127 O GLY A 82 -21.302 3.993 2.057 1.00 0.00 O ATOM 0 H GLY A 82 -21.204 3.429 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -22.380 2.627 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -21.086 1.501 0.538 1.00 0.00 H new ATOM 131 N ASN A 83 -19.409 3.836 0.826 1.00 0.00 N ATOM 132 CA ASN A 83 -18.670 4.903 1.502 1.00 0.00 C ATOM 133 C ASN A 83 -18.395 4.600 2.975 1.00 0.00 C ATOM 134 O ASN A 83 -19.122 5.036 3.866 1.00 0.00 O ATOM 135 CB ASN A 83 -19.395 6.244 1.355 1.00 0.00 C ATOM 136 CG ASN A 83 -18.459 7.367 0.958 1.00 0.00 C ATOM 137 OD1 ASN A 83 -17.693 7.245 0.003 1.00 0.00 O ATOM 138 ND2 ASN A 83 -18.511 8.471 1.687 1.00 0.00 N ATOM 0 H ASN A 83 -18.863 3.352 0.113 1.00 0.00 H new ATOM 0 HA ASN A 83 -17.700 4.966 1.009 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -20.181 6.148 0.606 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -19.881 6.496 2.297 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.902 9.258 1.464 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -19.160 8.534 2.471 1.00 0.00 H new ATOM 145 N SER A 84 -17.325 3.851 3.216 1.00 0.00 N ATOM 146 CA SER A 84 -16.846 3.589 4.569 1.00 0.00 C ATOM 147 C SER A 84 -15.313 3.644 4.607 1.00 0.00 C ATOM 148 O SER A 84 -14.713 4.219 5.518 1.00 0.00 O ATOM 149 CB SER A 84 -17.341 2.225 5.056 1.00 0.00 C ATOM 150 OG SER A 84 -18.553 1.861 4.418 1.00 0.00 O ATOM 0 H SER A 84 -16.768 3.410 2.484 1.00 0.00 H new ATOM 0 HA SER A 84 -17.241 4.357 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.582 1.468 4.859 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.490 2.254 6.135 1.00 0.00 H new ATOM 0 HG SER A 84 -18.928 1.069 4.856 1.00 0.00 H new ATOM 156 N GLY A 85 -14.690 3.044 3.599 1.00 0.00 N ATOM 157 CA GLY A 85 -13.242 3.053 3.487 1.00 0.00 C ATOM 158 C GLY A 85 -12.798 2.573 2.123 1.00 0.00 C ATOM 159 O GLY A 85 -13.378 1.639 1.575 1.00 0.00 O ATOM 0 H GLY A 85 -15.168 2.546 2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.867 4.062 3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.811 2.415 4.259 1.00 0.00 H new ATOM 163 N ALA A 86 -11.780 3.206 1.566 1.00 0.00 N ATOM 164 CA ALA A 86 -11.363 2.895 0.207 1.00 0.00 C ATOM 165 C ALA A 86 -9.847 2.913 0.071 1.00 0.00 C ATOM 166 O ALA A 86 -9.143 3.420 0.944 1.00 0.00 O ATOM 167 CB ALA A 86 -11.992 3.879 -0.768 1.00 0.00 C ATOM 0 H ALA A 86 -11.231 3.931 2.027 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.705 1.887 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.675 3.639 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.078 3.813 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.675 4.892 -0.519 1.00 0.00 H new ATOM 173 N CYS A 87 -9.364 2.346 -1.027 1.00 0.00 N ATOM 174 CA CYS A 87 -7.947 2.342 -1.344 1.00 0.00 C ATOM 175 C CYS A 87 -7.455 3.768 -1.601 1.00 0.00 C ATOM 176 O CYS A 87 -8.179 4.599 -2.157 1.00 0.00 O ATOM 177 CB CYS A 87 -7.694 1.466 -2.576 1.00 0.00 C ATOM 178 SG CYS A 87 -5.974 1.486 -3.185 1.00 0.00 S ATOM 0 H CYS A 87 -9.946 1.877 -1.721 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.397 1.934 -0.496 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.969 0.439 -2.337 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.354 1.794 -3.380 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.915 0.888 -4.338 1.00 0.00 H new ATOM 183 N SER A 88 -6.226 4.041 -1.193 1.00 0.00 N ATOM 184 CA SER A 88 -5.617 5.343 -1.395 1.00 0.00 C ATOM 185 C SER A 88 -5.247 5.553 -2.863 1.00 0.00 C ATOM 186 O SER A 88 -5.009 6.681 -3.295 1.00 0.00 O ATOM 187 CB SER A 88 -4.384 5.466 -0.501 1.00 0.00 C ATOM 188 OG SER A 88 -4.497 4.598 0.616 1.00 0.00 O ATOM 0 H SER A 88 -5.626 3.369 -0.715 1.00 0.00 H new ATOM 0 HA SER A 88 -6.335 6.118 -1.126 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.487 5.222 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.275 6.496 -0.160 1.00 0.00 H new ATOM 0 HG SER A 88 -3.617 4.484 1.032 1.00 0.00 H new ATOM 194 N ALA A 89 -5.215 4.469 -3.630 1.00 0.00 N ATOM 195 CA ALA A 89 -4.878 4.551 -5.044 1.00 0.00 C ATOM 196 C ALA A 89 -6.089 4.244 -5.920 1.00 0.00 C ATOM 197 O ALA A 89 -6.518 5.088 -6.710 1.00 0.00 O ATOM 198 CB ALA A 89 -3.726 3.617 -5.374 1.00 0.00 C ATOM 0 H ALA A 89 -5.418 3.527 -3.297 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.565 5.574 -5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.489 3.693 -6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.852 3.896 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.010 2.591 -5.138 1.00 0.00 H new ATOM 204 N CYS A 90 -6.650 3.048 -5.764 1.00 0.00 N ATOM 205 CA CYS A 90 -7.802 2.636 -6.555 1.00 0.00 C ATOM 206 C CYS A 90 -9.066 3.342 -6.076 1.00 0.00 C ATOM 207 O CYS A 90 -9.877 3.817 -6.874 1.00 0.00 O ATOM 208 CB CYS A 90 -7.996 1.122 -6.465 1.00 0.00 C ATOM 209 SG CYS A 90 -6.464 0.149 -6.651 1.00 0.00 S ATOM 0 H CYS A 90 -6.324 2.348 -5.097 1.00 0.00 H new ATOM 0 HA CYS A 90 -7.615 2.913 -7.593 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.448 0.883 -5.502 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.703 0.813 -7.235 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.370 -0.704 -5.674 1.00 0.00 H new ATOM 214 N GLY A 91 -9.224 3.405 -4.762 1.00 0.00 N ATOM 215 CA GLY A 91 -10.414 3.992 -4.185 1.00 0.00 C ATOM 216 C GLY A 91 -11.570 3.019 -4.162 1.00 0.00 C ATOM 217 O GLY A 91 -12.706 3.404 -3.923 1.00 0.00 O ATOM 0 H GLY A 91 -8.546 3.058 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.199 4.324 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.696 4.877 -4.756 1.00 0.00 H new ATOM 221 N GLN A 92 -11.273 1.755 -4.410 1.00 0.00 N ATOM 222 CA GLN A 92 -12.298 0.725 -4.442 1.00 0.00 C ATOM 223 C GLN A 92 -12.739 0.355 -3.032 1.00 0.00 C ATOM 224 O GLN A 92 -11.953 0.424 -2.085 1.00 0.00 O ATOM 225 CB GLN A 92 -11.785 -0.520 -5.171 1.00 0.00 C ATOM 226 CG GLN A 92 -12.461 -0.761 -6.512 1.00 0.00 C ATOM 227 CD GLN A 92 -13.962 -0.955 -6.388 1.00 0.00 C ATOM 228 OE1 GLN A 92 -14.745 -0.154 -6.901 1.00 0.00 O ATOM 229 NE2 GLN A 92 -14.380 -2.014 -5.710 1.00 0.00 N ATOM 0 H GLN A 92 -10.328 1.416 -4.593 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.157 1.123 -4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.711 -0.423 -5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.937 -1.392 -4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.262 0.084 -7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.023 -1.642 -6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.703 -2.656 -5.299 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.379 -2.187 -5.599 1.00 0.00 H new ATOM 238 N SER A 93 -14.004 -0.018 -2.906 1.00 0.00 N ATOM 239 CA SER A 93 -14.551 -0.478 -1.645 1.00 0.00 C ATOM 240 C SER A 93 -13.960 -1.837 -1.288 1.00 0.00 C ATOM 241 O SER A 93 -13.957 -2.756 -2.112 1.00 0.00 O ATOM 242 CB SER A 93 -16.071 -0.573 -1.757 1.00 0.00 C ATOM 243 OG SER A 93 -16.515 -0.054 -3.005 1.00 0.00 O ATOM 0 H SER A 93 -14.675 -0.009 -3.674 1.00 0.00 H new ATOM 0 HA SER A 93 -14.295 0.230 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.384 -1.612 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.536 -0.020 -0.941 1.00 0.00 H new ATOM 0 HG SER A 93 -16.839 -0.788 -3.568 1.00 0.00 H new ATOM 249 N ILE A 94 -13.454 -1.958 -0.072 1.00 0.00 N ATOM 250 CA ILE A 94 -12.833 -3.197 0.376 1.00 0.00 C ATOM 251 C ILE A 94 -13.838 -4.079 1.112 1.00 0.00 C ATOM 252 O ILE A 94 -14.277 -3.754 2.221 1.00 0.00 O ATOM 253 CB ILE A 94 -11.623 -2.916 1.294 1.00 0.00 C ATOM 254 CG1 ILE A 94 -10.583 -2.071 0.551 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.996 -4.217 1.776 1.00 0.00 C ATOM 256 CD1 ILE A 94 -10.166 -0.825 1.298 1.00 0.00 C ATOM 0 H ILE A 94 -13.460 -1.213 0.625 1.00 0.00 H new ATOM 0 HA ILE A 94 -12.485 -3.723 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.974 -2.362 2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.701 -2.682 0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.988 -1.784 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.146 -3.994 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.735 -4.792 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.658 -4.798 0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.428 -0.278 0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.038 -0.192 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.731 -1.105 2.257 1.00 0.00 H new ATOM 268 N PRO A 95 -14.249 -5.192 0.483 1.00 0.00 N ATOM 269 CA PRO A 95 -15.136 -6.170 1.106 1.00 0.00 C ATOM 270 C PRO A 95 -14.414 -6.984 2.178 1.00 0.00 C ATOM 271 O PRO A 95 -13.184 -6.975 2.253 1.00 0.00 O ATOM 272 CB PRO A 95 -15.562 -7.085 -0.055 1.00 0.00 C ATOM 273 CG PRO A 95 -15.079 -6.412 -1.300 1.00 0.00 C ATOM 274 CD PRO A 95 -13.898 -5.582 -0.888 1.00 0.00 C ATOM 0 HA PRO A 95 -15.977 -5.691 1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.124 -8.078 0.048 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.644 -7.214 -0.075 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.797 -7.145 -2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.861 -5.790 -1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.969 -6.152 -0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.765 -4.715 -1.535 1.00 0.00 H new ATOM 282 N ALA A 96 -15.175 -7.711 2.984 1.00 0.00 N ATOM 283 CA ALA A 96 -14.600 -8.519 4.060 1.00 0.00 C ATOM 284 C ALA A 96 -13.934 -9.781 3.514 1.00 0.00 C ATOM 285 O ALA A 96 -13.348 -10.565 4.264 1.00 0.00 O ATOM 286 CB ALA A 96 -15.675 -8.891 5.066 1.00 0.00 C ATOM 0 H ALA A 96 -16.192 -7.761 2.917 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.834 -7.922 4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -15.236 -9.492 5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.105 -7.984 5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.457 -9.464 4.568 1.00 0.00 H new ATOM 292 N SER A 97 -14.050 -9.974 2.209 1.00 0.00 N ATOM 293 CA SER A 97 -13.458 -11.120 1.539 1.00 0.00 C ATOM 294 C SER A 97 -12.150 -10.727 0.853 1.00 0.00 C ATOM 295 O SER A 97 -11.441 -11.572 0.302 1.00 0.00 O ATOM 296 CB SER A 97 -14.452 -11.670 0.514 1.00 0.00 C ATOM 297 OG SER A 97 -15.673 -10.943 0.560 1.00 0.00 O ATOM 0 H SER A 97 -14.555 -9.343 1.587 1.00 0.00 H new ATOM 0 HA SER A 97 -13.232 -11.890 2.277 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.023 -11.608 -0.486 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.643 -12.724 0.714 1.00 0.00 H new ATOM 0 HG SER A 97 -16.296 -11.307 -0.103 1.00 0.00 H new ATOM 303 N GLU A 98 -11.829 -9.441 0.907 1.00 0.00 N ATOM 304 CA GLU A 98 -10.677 -8.913 0.197 1.00 0.00 C ATOM 305 C GLU A 98 -9.445 -8.869 1.095 1.00 0.00 C ATOM 306 O GLU A 98 -9.463 -8.266 2.169 1.00 0.00 O ATOM 307 CB GLU A 98 -10.985 -7.510 -0.331 1.00 0.00 C ATOM 308 CG GLU A 98 -10.106 -7.073 -1.496 1.00 0.00 C ATOM 309 CD GLU A 98 -10.896 -6.851 -2.769 1.00 0.00 C ATOM 310 OE1 GLU A 98 -11.319 -7.853 -3.388 1.00 0.00 O ATOM 311 OE2 GLU A 98 -11.102 -5.681 -3.156 1.00 0.00 O ATOM 0 H GLU A 98 -12.353 -8.745 1.437 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.464 -9.578 -0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -12.028 -7.473 -0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.871 -6.795 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.587 -6.152 -1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.342 -7.830 -1.674 1.00 0.00 H new ATOM 318 N LEU A 99 -8.384 -9.522 0.654 1.00 0.00 N ATOM 319 CA LEU A 99 -7.105 -9.441 1.338 1.00 0.00 C ATOM 320 C LEU A 99 -6.311 -8.273 0.774 1.00 0.00 C ATOM 321 O LEU A 99 -5.919 -8.283 -0.392 1.00 0.00 O ATOM 322 CB LEU A 99 -6.326 -10.748 1.184 1.00 0.00 C ATOM 323 CG LEU A 99 -6.962 -11.961 1.863 1.00 0.00 C ATOM 324 CD1 LEU A 99 -7.010 -13.143 0.907 1.00 0.00 C ATOM 325 CD2 LEU A 99 -6.198 -12.327 3.126 1.00 0.00 C ATOM 0 H LEU A 99 -8.383 -10.115 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.276 -9.280 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.212 -10.963 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.324 -10.607 1.590 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.984 -11.703 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.466 -13.997 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.601 -12.878 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.997 -13.402 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.665 -13.193 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.166 -12.566 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.215 -11.485 3.818 1.00 0.00 H new ATOM 337 N VAL A 100 -6.072 -7.278 1.607 1.00 0.00 N ATOM 338 CA VAL A 100 -5.493 -6.028 1.147 1.00 0.00 C ATOM 339 C VAL A 100 -4.122 -5.794 1.765 1.00 0.00 C ATOM 340 O VAL A 100 -3.894 -6.098 2.937 1.00 0.00 O ATOM 341 CB VAL A 100 -6.418 -4.835 1.471 1.00 0.00 C ATOM 342 CG1 VAL A 100 -7.392 -4.599 0.330 1.00 0.00 C ATOM 343 CG2 VAL A 100 -7.173 -5.070 2.772 1.00 0.00 C ATOM 0 H VAL A 100 -6.270 -7.310 2.607 1.00 0.00 H new ATOM 0 HA VAL A 100 -5.381 -6.104 0.065 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.798 -3.947 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.038 -3.755 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.837 -4.382 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.001 -5.491 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.818 -4.216 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.781 -5.970 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.461 -5.193 3.589 1.00 0.00 H new ATOM 353 N MET A 101 -3.213 -5.249 0.974 1.00 0.00 N ATOM 354 CA MET A 101 -1.851 -5.020 1.425 1.00 0.00 C ATOM 355 C MET A 101 -1.785 -3.721 2.211 1.00 0.00 C ATOM 356 O MET A 101 -1.941 -2.639 1.656 1.00 0.00 O ATOM 357 CB MET A 101 -0.896 -4.955 0.234 1.00 0.00 C ATOM 358 CG MET A 101 0.347 -5.816 0.391 1.00 0.00 C ATOM 359 SD MET A 101 0.569 -6.972 -0.979 1.00 0.00 S ATOM 360 CE MET A 101 2.186 -6.488 -1.581 1.00 0.00 C ATOM 0 H MET A 101 -3.394 -4.956 0.014 1.00 0.00 H new ATOM 0 HA MET A 101 -1.550 -5.848 2.066 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.430 -5.266 -0.664 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.591 -3.920 0.082 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.224 -5.172 0.464 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.283 -6.374 1.325 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.584 -7.272 -2.225 1.00 0.00 H new ATOM 0 HE2 MET A 101 2.101 -5.561 -2.148 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.858 -6.336 -0.736 1.00 0.00 H new ATOM 370 N ARG A 102 -1.552 -3.832 3.504 1.00 0.00 N ATOM 371 CA ARG A 102 -1.540 -2.669 4.373 1.00 0.00 C ATOM 372 C ARG A 102 -0.134 -2.407 4.873 1.00 0.00 C ATOM 373 O ARG A 102 0.511 -3.307 5.401 1.00 0.00 O ATOM 374 CB ARG A 102 -2.484 -2.873 5.564 1.00 0.00 C ATOM 375 CG ARG A 102 -2.632 -4.327 5.998 1.00 0.00 C ATOM 376 CD ARG A 102 -2.176 -4.537 7.434 1.00 0.00 C ATOM 377 NE ARG A 102 -1.223 -5.638 7.549 1.00 0.00 N ATOM 378 CZ ARG A 102 0.061 -5.488 7.872 1.00 0.00 C ATOM 379 NH1 ARG A 102 0.553 -4.285 8.146 1.00 0.00 N ATOM 380 NH2 ARG A 102 0.853 -6.548 7.935 1.00 0.00 N ATOM 0 H ARG A 102 -1.368 -4.716 3.978 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.884 -1.809 3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.118 -2.288 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.467 -2.480 5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.674 -4.632 5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.049 -4.966 5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.718 -3.621 7.807 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.042 -4.740 8.064 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.562 -6.583 7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.054 -3.466 8.110 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.537 -4.181 8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.480 -7.476 7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.836 -6.436 8.182 1.00 0.00 H new ATOM 394 N ALA A 103 0.341 -1.184 4.698 1.00 0.00 N ATOM 395 CA ALA A 103 1.655 -0.804 5.202 1.00 0.00 C ATOM 396 C ALA A 103 1.616 -0.675 6.719 1.00 0.00 C ATOM 397 O ALA A 103 2.548 -1.078 7.415 1.00 0.00 O ATOM 398 CB ALA A 103 2.116 0.502 4.572 1.00 0.00 C ATOM 0 H ALA A 103 -0.160 -0.439 4.213 1.00 0.00 H new ATOM 0 HA ALA A 103 2.368 -1.583 4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.099 0.767 4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.175 0.383 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.405 1.293 4.812 1.00 0.00 H new ATOM 404 N GLN A 104 0.514 -0.125 7.216 1.00 0.00 N ATOM 405 CA GLN A 104 0.319 0.091 8.641 1.00 0.00 C ATOM 406 C GLN A 104 -1.115 0.544 8.900 1.00 0.00 C ATOM 407 O GLN A 104 -2.034 -0.268 8.894 1.00 0.00 O ATOM 408 CB GLN A 104 1.309 1.134 9.169 1.00 0.00 C ATOM 409 CG GLN A 104 1.647 0.949 10.639 1.00 0.00 C ATOM 410 CD GLN A 104 2.521 -0.267 10.875 1.00 0.00 C ATOM 411 OE1 GLN A 104 2.053 -1.406 10.829 1.00 0.00 O ATOM 412 NE2 GLN A 104 3.796 -0.035 11.131 1.00 0.00 N ATOM 0 H GLN A 104 -0.269 0.183 6.640 1.00 0.00 H new ATOM 0 HA GLN A 104 0.499 -0.846 9.167 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.227 1.084 8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.891 2.130 9.022 1.00 0.00 H new ATOM 0 HG2 GLN A 104 2.157 1.839 11.008 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.725 0.849 11.213 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.144 0.923 11.160 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.432 -0.814 11.299 1.00 0.00 H new ATOM 421 N GLY A 105 -1.299 1.846 9.098 1.00 0.00 N ATOM 422 CA GLY A 105 -2.629 2.388 9.310 1.00 0.00 C ATOM 423 C GLY A 105 -3.342 2.651 8.001 1.00 0.00 C ATOM 424 O GLY A 105 -4.564 2.801 7.963 1.00 0.00 O ATOM 0 H GLY A 105 -0.549 2.537 9.115 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.215 1.691 9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.558 3.315 9.878 1.00 0.00 H new ATOM 428 N ASN A 106 -2.568 2.715 6.926 1.00 0.00 N ATOM 429 CA ASN A 106 -3.120 2.907 5.591 1.00 0.00 C ATOM 430 C ASN A 106 -3.145 1.582 4.846 1.00 0.00 C ATOM 431 O ASN A 106 -2.288 0.719 5.067 1.00 0.00 O ATOM 432 CB ASN A 106 -2.301 3.943 4.810 1.00 0.00 C ATOM 433 CG ASN A 106 -2.929 4.288 3.472 1.00 0.00 C ATOM 434 OD1 ASN A 106 -2.338 4.048 2.422 1.00 0.00 O ATOM 435 ND2 ASN A 106 -4.124 4.861 3.498 1.00 0.00 N ATOM 0 H ASN A 106 -1.551 2.636 6.953 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.140 3.280 5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.203 4.850 5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.294 3.558 4.647 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.585 5.119 2.625 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.583 5.044 4.391 1.00 0.00 H new ATOM 442 N VAL A 107 -4.113 1.428 3.960 1.00 0.00 N ATOM 443 CA VAL A 107 -4.336 0.163 3.285 1.00 0.00 C ATOM 444 C VAL A 107 -4.263 0.326 1.763 1.00 0.00 C ATOM 445 O VAL A 107 -4.584 1.389 1.224 1.00 0.00 O ATOM 446 CB VAL A 107 -5.706 -0.433 3.695 1.00 0.00 C ATOM 447 CG1 VAL A 107 -6.857 0.361 3.091 1.00 0.00 C ATOM 448 CG2 VAL A 107 -5.795 -1.895 3.306 1.00 0.00 C ATOM 0 H VAL A 107 -4.761 2.169 3.690 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.546 -0.523 3.590 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.789 -0.364 4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.805 -0.082 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.809 1.393 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.782 0.341 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.765 -2.292 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.679 -1.992 2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.005 -2.454 3.808 1.00 0.00 H new ATOM 458 N TYR A 108 -3.808 -0.725 1.091 1.00 0.00 N ATOM 459 CA TYR A 108 -3.732 -0.763 -0.365 1.00 0.00 C ATOM 460 C TYR A 108 -4.156 -2.143 -0.866 1.00 0.00 C ATOM 461 O TYR A 108 -4.652 -2.965 -0.098 1.00 0.00 O ATOM 462 CB TYR A 108 -2.303 -0.476 -0.837 1.00 0.00 C ATOM 463 CG TYR A 108 -1.927 0.985 -0.838 1.00 0.00 C ATOM 464 CD1 TYR A 108 -2.445 1.857 -1.788 1.00 0.00 C ATOM 465 CD2 TYR A 108 -1.042 1.491 0.106 1.00 0.00 C ATOM 466 CE1 TYR A 108 -2.092 3.192 -1.797 1.00 0.00 C ATOM 467 CE2 TYR A 108 -0.686 2.824 0.104 1.00 0.00 C ATOM 468 CZ TYR A 108 -1.214 3.670 -0.850 1.00 0.00 C ATOM 469 OH TYR A 108 -0.858 4.999 -0.858 1.00 0.00 O ATOM 0 H TYR A 108 -3.480 -1.579 1.543 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.399 -0.000 -0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.607 -1.017 -0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -2.181 -0.871 -1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.135 1.485 -2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.626 0.831 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.502 3.857 -2.542 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.002 3.203 0.845 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.232 5.174 -0.124 1.00 0.00 H new ATOM 479 N HIS A 109 -3.950 -2.394 -2.145 1.00 0.00 N ATOM 480 CA HIS A 109 -4.181 -3.708 -2.731 1.00 0.00 C ATOM 481 C HIS A 109 -2.843 -4.281 -3.189 1.00 0.00 C ATOM 482 O HIS A 109 -1.787 -3.827 -2.752 1.00 0.00 O ATOM 483 CB HIS A 109 -5.145 -3.631 -3.931 1.00 0.00 C ATOM 484 CG HIS A 109 -6.513 -3.121 -3.606 1.00 0.00 C ATOM 485 ND1 HIS A 109 -6.883 -1.814 -3.835 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.578 -3.799 -3.121 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.153 -1.726 -3.483 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.621 -2.909 -3.039 1.00 0.00 N ATOM 0 H HIS A 109 -3.618 -1.695 -2.810 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.638 -4.350 -1.977 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.704 -2.987 -4.692 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.238 -4.625 -4.369 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.604 -4.844 -2.849 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.741 -0.822 -3.543 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.565 -3.105 -2.707 1.00 0.00 H new ATOM 496 N LEU A 110 -2.889 -5.272 -4.065 1.00 0.00 N ATOM 497 CA LEU A 110 -1.674 -5.891 -4.587 1.00 0.00 C ATOM 498 C LEU A 110 -1.131 -5.110 -5.786 1.00 0.00 C ATOM 499 O LEU A 110 0.032 -5.245 -6.161 1.00 0.00 O ATOM 500 CB LEU A 110 -1.948 -7.343 -4.992 1.00 0.00 C ATOM 501 CG LEU A 110 -2.438 -8.255 -3.865 1.00 0.00 C ATOM 502 CD1 LEU A 110 -3.918 -8.567 -4.037 1.00 0.00 C ATOM 503 CD2 LEU A 110 -1.626 -9.542 -3.832 1.00 0.00 C ATOM 0 H LEU A 110 -3.755 -5.668 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.923 -5.876 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.691 -7.346 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.033 -7.766 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.302 -7.734 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.249 -9.217 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.490 -7.640 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.076 -9.069 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.987 -10.179 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.733 -10.064 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.575 -9.305 -3.665 1.00 0.00 H new ATOM 515 N LYS A 111 -1.991 -4.304 -6.396 1.00 0.00 N ATOM 516 CA LYS A 111 -1.625 -3.566 -7.603 1.00 0.00 C ATOM 517 C LYS A 111 -1.039 -2.197 -7.264 1.00 0.00 C ATOM 518 O LYS A 111 -0.093 -1.738 -7.902 1.00 0.00 O ATOM 519 CB LYS A 111 -2.851 -3.399 -8.505 1.00 0.00 C ATOM 520 CG LYS A 111 -4.126 -3.054 -7.753 1.00 0.00 C ATOM 521 CD LYS A 111 -5.324 -3.786 -8.329 1.00 0.00 C ATOM 522 CE LYS A 111 -6.462 -2.828 -8.657 1.00 0.00 C ATOM 523 NZ LYS A 111 -7.106 -3.159 -9.955 1.00 0.00 N ATOM 0 H LYS A 111 -2.946 -4.143 -6.077 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.861 -4.139 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.648 -2.616 -9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.008 -4.322 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.011 -3.313 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.298 -1.979 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.026 -4.320 -9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.671 -4.534 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.207 -2.863 -7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.080 -1.808 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.875 -2.485 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.401 -3.101 -10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.493 -4.123 -9.914 1.00 0.00 H new ATOM 537 N CYS A 112 -1.614 -1.571 -6.249 1.00 0.00 N ATOM 538 CA CYS A 112 -1.281 -0.211 -5.853 1.00 0.00 C ATOM 539 C CYS A 112 0.044 -0.161 -5.093 1.00 0.00 C ATOM 540 O CYS A 112 0.759 0.843 -5.119 1.00 0.00 O ATOM 541 CB CYS A 112 -2.429 0.268 -4.981 1.00 0.00 C ATOM 542 SG CYS A 112 -3.563 -1.101 -4.590 1.00 0.00 S ATOM 0 H CYS A 112 -2.335 -1.999 -5.669 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.153 0.430 -6.726 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.036 0.695 -4.058 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.973 1.061 -5.493 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.638 -0.628 -4.033 1.00 0.00 H new ATOM 547 N PHE A 113 0.360 -1.261 -4.423 1.00 0.00 N ATOM 548 CA PHE A 113 1.585 -1.372 -3.636 1.00 0.00 C ATOM 549 C PHE A 113 2.813 -1.463 -4.542 1.00 0.00 C ATOM 550 O PHE A 113 3.330 -2.551 -4.807 1.00 0.00 O ATOM 551 CB PHE A 113 1.506 -2.605 -2.732 1.00 0.00 C ATOM 552 CG PHE A 113 1.890 -2.339 -1.304 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.398 -1.231 -0.634 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.748 -3.197 -0.629 1.00 0.00 C ATOM 555 CE1 PHE A 113 1.757 -0.980 0.677 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.106 -2.952 0.681 1.00 0.00 C ATOM 557 CZ PHE A 113 2.611 -1.841 1.334 1.00 0.00 C ATOM 0 H PHE A 113 -0.221 -2.099 -4.408 1.00 0.00 H new ATOM 0 HA PHE A 113 1.684 -0.477 -3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.489 -2.997 -2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.157 -3.381 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.726 -0.555 -1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.140 -4.067 -1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 113 1.369 -0.110 1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.773 -3.629 1.195 1.00 0.00 H new ATOM 0 HZ PHE A 113 2.892 -1.646 2.358 1.00 0.00 H new ATOM 567 N THR A 114 3.284 -0.314 -5.003 1.00 0.00 N ATOM 568 CA THR A 114 4.396 -0.269 -5.935 1.00 0.00 C ATOM 569 C THR A 114 5.293 0.933 -5.665 1.00 0.00 C ATOM 570 O THR A 114 4.879 1.889 -5.001 1.00 0.00 O ATOM 571 CB THR A 114 3.880 -0.179 -7.382 1.00 0.00 C ATOM 572 OG1 THR A 114 2.680 0.603 -7.420 1.00 0.00 O ATOM 573 CG2 THR A 114 3.597 -1.558 -7.950 1.00 0.00 C ATOM 0 H THR A 114 2.911 0.600 -4.745 1.00 0.00 H new ATOM 0 HA THR A 114 4.971 -1.185 -5.799 1.00 0.00 H new ATOM 0 HB THR A 114 4.653 0.294 -7.988 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.111 0.294 -8.155 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.234 -1.463 -8.973 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.513 -2.149 -7.944 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.841 -2.054 -7.341 1.00 0.00 H new ATOM 581 N CYS A 115 6.519 0.872 -6.173 1.00 0.00 N ATOM 582 CA CYS A 115 7.430 2.001 -6.110 1.00 0.00 C ATOM 583 C CYS A 115 6.907 3.129 -6.994 1.00 0.00 C ATOM 584 O CYS A 115 6.360 2.887 -8.071 1.00 0.00 O ATOM 585 CB CYS A 115 8.829 1.555 -6.557 1.00 0.00 C ATOM 586 SG CYS A 115 9.960 2.890 -7.081 1.00 0.00 S ATOM 0 H CYS A 115 6.903 0.047 -6.634 1.00 0.00 H new ATOM 0 HA CYS A 115 7.496 2.369 -5.086 1.00 0.00 H new ATOM 0 HB2 CYS A 115 9.296 1.011 -5.736 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.719 0.853 -7.383 1.00 0.00 H new ATOM 0 HG CYS A 115 11.188 2.466 -7.024 1.00 0.00 H new ATOM 591 N SER A 116 7.068 4.357 -6.543 1.00 0.00 N ATOM 592 CA SER A 116 6.559 5.500 -7.284 1.00 0.00 C ATOM 593 C SER A 116 7.567 5.967 -8.337 1.00 0.00 C ATOM 594 O SER A 116 7.234 6.755 -9.227 1.00 0.00 O ATOM 595 CB SER A 116 6.222 6.641 -6.319 1.00 0.00 C ATOM 596 OG SER A 116 5.968 6.147 -5.009 1.00 0.00 O ATOM 0 H SER A 116 7.544 4.591 -5.672 1.00 0.00 H new ATOM 0 HA SER A 116 5.651 5.196 -7.804 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.048 7.352 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.349 7.182 -6.682 1.00 0.00 H new ATOM 0 HG SER A 116 5.757 6.895 -4.412 1.00 0.00 H new ATOM 602 N THR A 117 8.790 5.458 -8.257 1.00 0.00 N ATOM 603 CA THR A 117 9.863 5.910 -9.133 1.00 0.00 C ATOM 604 C THR A 117 9.957 5.069 -10.401 1.00 0.00 C ATOM 605 O THR A 117 9.967 5.608 -11.509 1.00 0.00 O ATOM 606 CB THR A 117 11.211 5.874 -8.399 1.00 0.00 C ATOM 607 OG1 THR A 117 10.991 5.663 -6.996 1.00 0.00 O ATOM 608 CG2 THR A 117 11.975 7.170 -8.613 1.00 0.00 C ATOM 0 H THR A 117 9.063 4.732 -7.595 1.00 0.00 H new ATOM 0 HA THR A 117 9.628 6.935 -9.420 1.00 0.00 H new ATOM 0 HB THR A 117 11.805 5.054 -8.802 1.00 0.00 H new ATOM 0 HG1 THR A 117 10.886 4.704 -6.822 1.00 0.00 H new ATOM 0 HG21 THR A 117 12.927 7.123 -8.084 1.00 0.00 H new ATOM 0 HG22 THR A 117 12.158 7.313 -9.678 1.00 0.00 H new ATOM 0 HG23 THR A 117 11.389 8.005 -8.231 1.00 0.00 H new ATOM 616 N CYS A 118 10.006 3.755 -10.246 1.00 0.00 N ATOM 617 CA CYS A 118 10.135 2.866 -11.396 1.00 0.00 C ATOM 618 C CYS A 118 8.902 1.989 -11.539 1.00 0.00 C ATOM 619 O CYS A 118 8.758 1.254 -12.519 1.00 0.00 O ATOM 620 CB CYS A 118 11.377 1.988 -11.258 1.00 0.00 C ATOM 621 SG CYS A 118 11.268 0.754 -9.921 1.00 0.00 S ATOM 0 H CYS A 118 9.959 3.281 -9.344 1.00 0.00 H new ATOM 0 HA CYS A 118 10.233 3.484 -12.289 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.551 1.471 -12.202 1.00 0.00 H new ATOM 0 HB3 CYS A 118 12.242 2.626 -11.080 1.00 0.00 H new ATOM 0 HG CYS A 118 10.827 1.324 -8.839 1.00 0.00 H new ATOM 626 N ARG A 119 8.032 2.074 -10.537 1.00 0.00 N ATOM 627 CA ARG A 119 6.823 1.266 -10.464 1.00 0.00 C ATOM 628 C ARG A 119 7.158 -0.193 -10.170 1.00 0.00 C ATOM 629 O ARG A 119 6.419 -1.099 -10.561 1.00 0.00 O ATOM 630 CB ARG A 119 5.993 1.379 -11.748 1.00 0.00 C ATOM 631 CG ARG A 119 4.556 1.801 -11.502 1.00 0.00 C ATOM 632 CD ARG A 119 3.765 0.696 -10.820 1.00 0.00 C ATOM 633 NE ARG A 119 2.328 0.805 -11.058 1.00 0.00 N ATOM 634 CZ ARG A 119 1.529 1.661 -10.429 1.00 0.00 C ATOM 635 NH1 ARG A 119 2.021 2.479 -9.510 1.00 0.00 N ATOM 636 NH2 ARG A 119 0.234 1.684 -10.715 1.00 0.00 N ATOM 0 H ARG A 119 8.149 2.710 -9.748 1.00 0.00 H new ATOM 0 HA ARG A 119 6.221 1.654 -9.642 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.466 2.099 -12.415 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.999 0.417 -12.261 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.539 2.698 -10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 119 4.083 2.058 -12.450 1.00 0.00 H new ATOM 0 HD2 ARG A 119 4.117 -0.272 -11.178 1.00 0.00 H new ATOM 0 HD3 ARG A 119 3.955 0.727 -9.747 1.00 0.00 H new ATOM 0 HE ARG A 119 1.911 0.184 -11.752 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.015 2.453 -9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.406 3.135 -9.029 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.145 1.046 -11.415 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -0.383 2.339 -10.235 1.00 0.00 H new ATOM 650 N ASN A 120 8.286 -0.418 -9.495 1.00 0.00 N ATOM 651 CA ASN A 120 8.637 -1.750 -9.021 1.00 0.00 C ATOM 652 C ASN A 120 7.505 -2.326 -8.184 1.00 0.00 C ATOM 653 O ASN A 120 7.110 -1.743 -7.170 1.00 0.00 O ATOM 654 CB ASN A 120 9.915 -1.695 -8.184 1.00 0.00 C ATOM 655 CG ASN A 120 10.886 -2.812 -8.517 1.00 0.00 C ATOM 656 OD1 ASN A 120 10.521 -3.813 -9.137 1.00 0.00 O ATOM 657 ND2 ASN A 120 12.135 -2.649 -8.103 1.00 0.00 N ATOM 0 H ASN A 120 8.968 0.305 -9.267 1.00 0.00 H new ATOM 0 HA ASN A 120 8.804 -2.391 -9.887 1.00 0.00 H new ATOM 0 HB2 ASN A 120 10.406 -0.735 -8.342 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.654 -1.750 -7.127 1.00 0.00 H new ATOM 0 HD21 ASN A 120 12.834 -3.367 -8.295 1.00 0.00 H new ATOM 0 HD22 ASN A 120 12.397 -1.806 -7.593 1.00 0.00 H new ATOM 664 N ARG A 121 6.958 -3.446 -8.631 1.00 0.00 N ATOM 665 CA ARG A 121 5.910 -4.124 -7.891 1.00 0.00 C ATOM 666 C ARG A 121 6.493 -4.720 -6.617 1.00 0.00 C ATOM 667 O ARG A 121 7.261 -5.678 -6.674 1.00 0.00 O ATOM 668 CB ARG A 121 5.270 -5.220 -8.747 1.00 0.00 C ATOM 669 CG ARG A 121 4.041 -4.761 -9.518 1.00 0.00 C ATOM 670 CD ARG A 121 2.769 -5.352 -8.935 1.00 0.00 C ATOM 671 NE ARG A 121 2.130 -6.306 -9.847 1.00 0.00 N ATOM 672 CZ ARG A 121 0.848 -6.251 -10.215 1.00 0.00 C ATOM 673 NH1 ARG A 121 0.059 -5.279 -9.775 1.00 0.00 N ATOM 674 NH2 ARG A 121 0.352 -7.175 -11.025 1.00 0.00 N ATOM 0 H ARG A 121 7.224 -3.903 -9.503 1.00 0.00 H new ATOM 0 HA ARG A 121 5.136 -3.403 -7.629 1.00 0.00 H new ATOM 0 HB2 ARG A 121 6.011 -5.595 -9.453 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.992 -6.055 -8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.982 -3.673 -9.497 1.00 0.00 H new ATOM 0 HG3 ARG A 121 4.135 -5.055 -10.563 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.001 -5.851 -7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.070 -4.548 -8.705 1.00 0.00 H new ATOM 0 HE ARG A 121 2.702 -7.061 -10.225 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.431 -4.564 -9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.919 -5.247 -10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.950 -7.928 -11.367 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.627 -7.134 -11.307 1.00 0.00 H new ATOM 688 N LEU A 122 6.154 -4.126 -5.480 1.00 0.00 N ATOM 689 CA LEU A 122 6.660 -4.587 -4.196 1.00 0.00 C ATOM 690 C LEU A 122 6.167 -5.999 -3.922 1.00 0.00 C ATOM 691 O LEU A 122 5.004 -6.318 -4.170 1.00 0.00 O ATOM 692 CB LEU A 122 6.223 -3.641 -3.077 1.00 0.00 C ATOM 693 CG LEU A 122 6.525 -2.161 -3.330 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.911 -1.301 -2.240 1.00 0.00 C ATOM 695 CD2 LEU A 122 8.026 -1.927 -3.414 1.00 0.00 C ATOM 0 H LEU A 122 5.529 -3.322 -5.422 1.00 0.00 H new ATOM 0 HA LEU A 122 7.749 -4.595 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.150 -3.757 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.714 -3.944 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 122 6.081 -1.877 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 122 6.135 -0.252 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.831 -1.445 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.326 -1.587 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.220 -0.870 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.494 -2.227 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.441 -2.516 -4.232 1.00 0.00 H new ATOM 707 N VAL A 123 7.047 -6.846 -3.414 1.00 0.00 N ATOM 708 CA VAL A 123 6.728 -8.252 -3.261 1.00 0.00 C ATOM 709 C VAL A 123 6.880 -8.680 -1.811 1.00 0.00 C ATOM 710 O VAL A 123 7.879 -8.358 -1.166 1.00 0.00 O ATOM 711 CB VAL A 123 7.641 -9.131 -4.155 1.00 0.00 C ATOM 712 CG1 VAL A 123 7.482 -10.609 -3.841 1.00 0.00 C ATOM 713 CG2 VAL A 123 7.364 -8.869 -5.625 1.00 0.00 C ATOM 0 H VAL A 123 7.982 -6.585 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 123 5.692 -8.390 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 123 8.673 -8.856 -3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.138 -11.191 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.746 -10.790 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.447 -10.908 -4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 123 8.015 -9.495 -6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 123 6.323 -9.103 -5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 123 7.555 -7.820 -5.850 1.00 0.00 H new ATOM 723 N PRO A 124 5.879 -9.385 -1.270 1.00 0.00 N ATOM 724 CA PRO A 124 5.971 -9.973 0.062 1.00 0.00 C ATOM 725 C PRO A 124 7.138 -10.952 0.138 1.00 0.00 C ATOM 726 O PRO A 124 7.113 -12.014 -0.484 1.00 0.00 O ATOM 727 CB PRO A 124 4.641 -10.710 0.231 1.00 0.00 C ATOM 728 CG PRO A 124 3.718 -10.089 -0.758 1.00 0.00 C ATOM 729 CD PRO A 124 4.580 -9.654 -1.908 1.00 0.00 C ATOM 0 HA PRO A 124 6.144 -9.229 0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.757 -11.778 0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.259 -10.604 1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 124 2.960 -10.801 -1.085 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.191 -9.240 -0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.658 -10.430 -2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 124 4.180 -8.766 -2.398 1.00 0.00 H new ATOM 737 N GLY A 125 8.162 -10.583 0.889 1.00 0.00 N ATOM 738 CA GLY A 125 9.363 -11.392 0.953 1.00 0.00 C ATOM 739 C GLY A 125 10.534 -10.709 0.270 1.00 0.00 C ATOM 740 O GLY A 125 11.687 -11.111 0.431 1.00 0.00 O ATOM 0 H GLY A 125 8.185 -9.736 1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.614 -11.590 1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 125 9.178 -12.357 0.481 1.00 0.00 H new ATOM 744 N ASP A 126 10.239 -9.662 -0.486 1.00 0.00 N ATOM 745 CA ASP A 126 11.272 -8.902 -1.168 1.00 0.00 C ATOM 746 C ASP A 126 11.455 -7.545 -0.503 1.00 0.00 C ATOM 747 O ASP A 126 10.678 -7.163 0.375 1.00 0.00 O ATOM 748 CB ASP A 126 10.941 -8.720 -2.653 1.00 0.00 C ATOM 749 CG ASP A 126 12.183 -8.722 -3.524 1.00 0.00 C ATOM 750 OD1 ASP A 126 13.283 -8.427 -3.005 1.00 0.00 O ATOM 751 OD2 ASP A 126 12.075 -9.030 -4.727 1.00 0.00 O ATOM 0 H ASP A 126 9.291 -9.320 -0.642 1.00 0.00 H new ATOM 0 HA ASP A 126 12.203 -9.464 -1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.273 -9.519 -2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.405 -7.781 -2.791 1.00 0.00 H new ATOM 756 N ARG A 127 12.475 -6.828 -0.940 1.00 0.00 N ATOM 757 CA ARG A 127 12.858 -5.568 -0.327 1.00 0.00 C ATOM 758 C ARG A 127 11.963 -4.418 -0.775 1.00 0.00 C ATOM 759 O ARG A 127 11.612 -4.302 -1.948 1.00 0.00 O ATOM 760 CB ARG A 127 14.314 -5.249 -0.657 1.00 0.00 C ATOM 761 CG ARG A 127 15.206 -5.148 0.564 1.00 0.00 C ATOM 762 CD ARG A 127 16.535 -5.843 0.335 1.00 0.00 C ATOM 763 NE ARG A 127 17.636 -5.155 1.012 1.00 0.00 N ATOM 764 CZ ARG A 127 18.790 -4.837 0.423 1.00 0.00 C ATOM 765 NH1 ARG A 127 18.975 -5.088 -0.866 1.00 0.00 N ATOM 766 NH2 ARG A 127 19.748 -4.233 1.117 1.00 0.00 N ATOM 0 H ARG A 127 13.061 -7.102 -1.729 1.00 0.00 H new ATOM 0 HA ARG A 127 12.739 -5.679 0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.705 -6.021 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.356 -4.308 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.379 -4.099 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.703 -5.594 1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 127 16.474 -6.870 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.740 -5.891 -0.734 1.00 0.00 H new ATOM 0 HE ARG A 127 17.513 -4.904 1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 127 18.233 -5.526 -1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 127 19.859 -4.843 -1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 127 19.602 -4.012 2.102 1.00 0.00 H new ATOM 0 HH22 ARG A 127 20.630 -3.991 0.665 1.00 0.00 H new ATOM 780 N PHE A 128 11.605 -3.576 0.181 1.00 0.00 N ATOM 781 CA PHE A 128 10.824 -2.380 -0.081 1.00 0.00 C ATOM 782 C PHE A 128 11.250 -1.283 0.893 1.00 0.00 C ATOM 783 O PHE A 128 11.865 -1.571 1.924 1.00 0.00 O ATOM 784 CB PHE A 128 9.319 -2.699 0.023 1.00 0.00 C ATOM 785 CG PHE A 128 8.604 -2.064 1.186 1.00 0.00 C ATOM 786 CD1 PHE A 128 8.802 -2.518 2.482 1.00 0.00 C ATOM 787 CD2 PHE A 128 7.724 -1.014 0.978 1.00 0.00 C ATOM 788 CE1 PHE A 128 8.140 -1.933 3.544 1.00 0.00 C ATOM 789 CE2 PHE A 128 7.061 -0.429 2.038 1.00 0.00 C ATOM 790 CZ PHE A 128 7.269 -0.888 3.323 1.00 0.00 C ATOM 0 H PHE A 128 11.849 -3.704 1.163 1.00 0.00 H new ATOM 0 HA PHE A 128 11.006 -2.023 -1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.833 -2.380 -0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.198 -3.780 0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 128 9.481 -3.338 2.663 1.00 0.00 H new ATOM 0 HD2 PHE A 128 7.555 -0.649 -0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 128 8.305 -2.295 4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 128 6.378 0.389 1.862 1.00 0.00 H new ATOM 0 HZ PHE A 128 6.751 -0.430 4.153 1.00 0.00 H new ATOM 800 N HIS A 129 10.958 -0.038 0.558 1.00 0.00 N ATOM 801 CA HIS A 129 11.311 1.077 1.419 1.00 0.00 C ATOM 802 C HIS A 129 10.096 1.954 1.705 1.00 0.00 C ATOM 803 O HIS A 129 9.325 2.286 0.802 1.00 0.00 O ATOM 804 CB HIS A 129 12.423 1.910 0.778 1.00 0.00 C ATOM 805 CG HIS A 129 13.798 1.447 1.143 1.00 0.00 C ATOM 806 ND1 HIS A 129 14.518 2.046 2.145 1.00 0.00 N ATOM 807 CD2 HIS A 129 14.533 0.440 0.614 1.00 0.00 C ATOM 808 CE1 HIS A 129 15.666 1.399 2.206 1.00 0.00 C ATOM 809 NE2 HIS A 129 15.722 0.415 1.296 1.00 0.00 N ATOM 0 H HIS A 129 10.478 0.226 -0.303 1.00 0.00 H new ATOM 0 HA HIS A 129 11.670 0.673 2.366 1.00 0.00 H new ATOM 0 HB2 HIS A 129 12.312 1.877 -0.306 1.00 0.00 H new ATOM 0 HB3 HIS A 129 12.306 2.951 1.079 1.00 0.00 H new ATOM 0 HD2 HIS A 129 14.239 -0.217 -0.191 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.460 1.632 2.900 1.00 0.00 H new ATOM 0 HE2 HIS A 129 16.499 -0.228 1.141 1.00 0.00 H new ATOM 817 N TYR A 130 9.936 2.319 2.970 1.00 0.00 N ATOM 818 CA TYR A 130 8.830 3.149 3.414 1.00 0.00 C ATOM 819 C TYR A 130 9.383 4.375 4.125 1.00 0.00 C ATOM 820 O TYR A 130 9.840 4.289 5.265 1.00 0.00 O ATOM 821 CB TYR A 130 7.933 2.351 4.364 1.00 0.00 C ATOM 822 CG TYR A 130 6.541 2.906 4.549 1.00 0.00 C ATOM 823 CD1 TYR A 130 5.681 3.061 3.471 1.00 0.00 C ATOM 824 CD2 TYR A 130 6.083 3.257 5.811 1.00 0.00 C ATOM 825 CE1 TYR A 130 4.400 3.554 3.645 1.00 0.00 C ATOM 826 CE2 TYR A 130 4.804 3.746 5.995 1.00 0.00 C ATOM 827 CZ TYR A 130 3.968 3.894 4.909 1.00 0.00 C ATOM 828 OH TYR A 130 2.692 4.379 5.087 1.00 0.00 O ATOM 0 H TYR A 130 10.573 2.045 3.718 1.00 0.00 H new ATOM 0 HA TYR A 130 8.238 3.464 2.555 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.854 1.330 3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 130 8.419 2.298 5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 130 6.017 2.793 2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 130 6.737 3.146 6.663 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.743 3.672 2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 130 4.461 4.011 6.984 1.00 0.00 H new ATOM 0 HH TYR A 130 2.544 4.570 6.037 1.00 0.00 H new ATOM 838 N ILE A 131 9.370 5.506 3.442 1.00 0.00 N ATOM 839 CA ILE A 131 9.880 6.742 4.015 1.00 0.00 C ATOM 840 C ILE A 131 8.800 7.801 4.027 1.00 0.00 C ATOM 841 O ILE A 131 8.288 8.177 2.975 1.00 0.00 O ATOM 842 CB ILE A 131 11.107 7.295 3.253 1.00 0.00 C ATOM 843 CG1 ILE A 131 11.473 6.395 2.062 1.00 0.00 C ATOM 844 CG2 ILE A 131 12.283 7.462 4.203 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.454 5.284 2.387 1.00 0.00 C ATOM 0 H ILE A 131 9.013 5.596 2.491 1.00 0.00 H new ATOM 0 HA ILE A 131 10.194 6.502 5.031 1.00 0.00 H new ATOM 0 HB ILE A 131 10.851 8.275 2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 131 10.560 5.951 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.896 7.015 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.141 7.852 3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.013 8.158 4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.539 6.496 4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.654 4.701 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 131 13.385 5.716 2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 131 12.029 4.636 3.153 1.00 0.00 H new ATOM 857 N ASN A 132 8.435 8.243 5.225 1.00 0.00 N ATOM 858 CA ASN A 132 7.446 9.302 5.402 1.00 0.00 C ATOM 859 C ASN A 132 6.122 8.927 4.735 1.00 0.00 C ATOM 860 O ASN A 132 5.436 9.777 4.164 1.00 0.00 O ATOM 861 CB ASN A 132 7.974 10.633 4.840 1.00 0.00 C ATOM 862 CG ASN A 132 7.259 11.839 5.426 1.00 0.00 C ATOM 863 OD1 ASN A 132 6.917 11.855 6.608 1.00 0.00 O ATOM 864 ND2 ASN A 132 7.046 12.859 4.609 1.00 0.00 N ATOM 0 H ASN A 132 8.814 7.879 6.099 1.00 0.00 H new ATOM 0 HA ASN A 132 7.267 9.424 6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.041 10.712 5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.858 10.637 3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.582 13.700 4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 132 7.346 12.804 3.636 1.00 0.00 H new ATOM 871 N GLY A 133 5.779 7.641 4.786 1.00 0.00 N ATOM 872 CA GLY A 133 4.535 7.183 4.192 1.00 0.00 C ATOM 873 C GLY A 133 4.589 7.112 2.678 1.00 0.00 C ATOM 874 O GLY A 133 3.596 7.387 2.010 1.00 0.00 O ATOM 0 H GLY A 133 6.339 6.911 5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 133 4.292 6.197 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 133 3.729 7.853 4.490 1.00 0.00 H new ATOM 878 N SER A 134 5.741 6.745 2.130 1.00 0.00 N ATOM 879 CA SER A 134 5.881 6.630 0.684 1.00 0.00 C ATOM 880 C SER A 134 6.516 5.296 0.324 1.00 0.00 C ATOM 881 O SER A 134 7.443 4.846 1.002 1.00 0.00 O ATOM 882 CB SER A 134 6.717 7.784 0.129 1.00 0.00 C ATOM 883 OG SER A 134 6.661 8.916 0.983 1.00 0.00 O ATOM 0 H SER A 134 6.584 6.524 2.659 1.00 0.00 H new ATOM 0 HA SER A 134 4.889 6.680 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.752 7.464 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.354 8.055 -0.863 1.00 0.00 H new ATOM 0 HG SER A 134 7.228 8.762 1.767 1.00 0.00 H new ATOM 889 N LEU A 135 6.012 4.667 -0.731 1.00 0.00 N ATOM 890 CA LEU A 135 6.493 3.356 -1.140 1.00 0.00 C ATOM 891 C LEU A 135 7.569 3.481 -2.208 1.00 0.00 C ATOM 892 O LEU A 135 7.317 3.972 -3.312 1.00 0.00 O ATOM 893 CB LEU A 135 5.340 2.497 -1.663 1.00 0.00 C ATOM 894 CG LEU A 135 4.076 2.511 -0.806 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.887 2.016 -1.611 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.274 1.666 0.445 1.00 0.00 C ATOM 0 H LEU A 135 5.269 5.046 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 135 6.926 2.872 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.083 2.835 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.687 1.468 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 135 3.875 3.536 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.993 2.032 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.738 2.663 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.076 0.997 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.364 1.686 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.497 0.638 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.103 2.068 1.028 1.00 0.00 H new ATOM 908 N PHE A 136 8.766 3.042 -1.861 1.00 0.00 N ATOM 909 CA PHE A 136 9.890 3.031 -2.782 1.00 0.00 C ATOM 910 C PHE A 136 10.473 1.626 -2.848 1.00 0.00 C ATOM 911 O PHE A 136 10.237 0.813 -1.953 1.00 0.00 O ATOM 912 CB PHE A 136 10.958 4.034 -2.321 1.00 0.00 C ATOM 913 CG PHE A 136 10.534 5.464 -2.467 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.302 6.006 -3.719 1.00 0.00 C ATOM 915 CD2 PHE A 136 10.360 6.263 -1.350 1.00 0.00 C ATOM 916 CE1 PHE A 136 9.903 7.320 -3.855 1.00 0.00 C ATOM 917 CE2 PHE A 136 9.964 7.579 -1.478 1.00 0.00 C ATOM 918 CZ PHE A 136 9.734 8.109 -2.732 1.00 0.00 C ATOM 0 H PHE A 136 8.987 2.683 -0.932 1.00 0.00 H new ATOM 0 HA PHE A 136 9.550 3.323 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.201 3.840 -1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.870 3.873 -2.896 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.435 5.394 -4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.536 5.852 -0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 136 9.723 7.732 -4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.834 8.193 -0.599 1.00 0.00 H new ATOM 0 HZ PHE A 136 9.423 9.138 -2.836 1.00 0.00 H new ATOM 928 N CYS A 137 11.207 1.331 -3.905 1.00 0.00 N ATOM 929 CA CYS A 137 11.842 0.035 -4.041 1.00 0.00 C ATOM 930 C CYS A 137 13.249 0.083 -3.456 1.00 0.00 C ATOM 931 O CYS A 137 13.738 1.150 -3.085 1.00 0.00 O ATOM 932 CB CYS A 137 11.886 -0.378 -5.516 1.00 0.00 C ATOM 933 SG CYS A 137 13.016 0.617 -6.539 1.00 0.00 S ATOM 0 H CYS A 137 11.378 1.971 -4.681 1.00 0.00 H new ATOM 0 HA CYS A 137 11.261 -0.707 -3.493 1.00 0.00 H new ATOM 0 HB2 CYS A 137 12.184 -1.425 -5.579 1.00 0.00 H new ATOM 0 HB3 CYS A 137 10.881 -0.307 -5.931 1.00 0.00 H new ATOM 0 HG CYS A 137 12.515 0.755 -7.731 1.00 0.00 H new ATOM 938 N GLU A 138 13.902 -1.069 -3.381 1.00 0.00 N ATOM 939 CA GLU A 138 15.288 -1.123 -2.928 1.00 0.00 C ATOM 940 C GLU A 138 16.205 -0.607 -4.029 1.00 0.00 C ATOM 941 O GLU A 138 17.368 -0.287 -3.790 1.00 0.00 O ATOM 942 CB GLU A 138 15.678 -2.550 -2.529 1.00 0.00 C ATOM 943 CG GLU A 138 15.810 -3.517 -3.701 1.00 0.00 C ATOM 944 CD GLU A 138 17.092 -4.332 -3.654 1.00 0.00 C ATOM 945 OE1 GLU A 138 17.168 -5.290 -2.858 1.00 0.00 O ATOM 946 OE2 GLU A 138 18.031 -4.024 -4.424 1.00 0.00 O ATOM 0 H GLU A 138 13.499 -1.973 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 138 15.394 -0.490 -2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 138 16.626 -2.518 -1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 138 14.931 -2.938 -1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 138 14.955 -4.194 -3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 138 15.777 -2.955 -4.635 1.00 0.00 H new ATOM 953 N HIS A 139 15.653 -0.511 -5.229 1.00 0.00 N ATOM 954 CA HIS A 139 16.399 -0.080 -6.399 1.00 0.00 C ATOM 955 C HIS A 139 16.432 1.444 -6.481 1.00 0.00 C ATOM 956 O HIS A 139 17.337 2.026 -7.080 1.00 0.00 O ATOM 957 CB HIS A 139 15.753 -0.676 -7.657 1.00 0.00 C ATOM 958 CG HIS A 139 16.705 -0.867 -8.797 1.00 0.00 C ATOM 959 ND1 HIS A 139 17.703 -1.810 -8.747 1.00 0.00 N ATOM 960 CD2 HIS A 139 16.762 -0.224 -9.987 1.00 0.00 C ATOM 961 CE1 HIS A 139 18.339 -1.723 -9.904 1.00 0.00 C ATOM 962 NE2 HIS A 139 17.805 -0.777 -10.687 1.00 0.00 N ATOM 0 H HIS A 139 14.675 -0.730 -5.418 1.00 0.00 H new ATOM 0 HA HIS A 139 17.427 -0.433 -6.322 1.00 0.00 H new ATOM 0 HB2 HIS A 139 15.308 -1.638 -7.404 1.00 0.00 H new ATOM 0 HB3 HIS A 139 14.941 -0.024 -7.980 1.00 0.00 H new ATOM 0 HD2 HIS A 139 16.112 0.571 -10.321 1.00 0.00 H new ATOM 0 HE1 HIS A 139 19.183 -2.338 -10.182 1.00 0.00 H new ATOM 0 HE2 HIS A 139 18.114 -0.517 -11.624 1.00 0.00 H new ATOM 970 N ASP A 140 15.443 2.078 -5.861 1.00 0.00 N ATOM 971 CA ASP A 140 15.295 3.527 -5.909 1.00 0.00 C ATOM 972 C ASP A 140 15.338 4.135 -4.514 1.00 0.00 C ATOM 973 O ASP A 140 14.905 5.273 -4.318 1.00 0.00 O ATOM 974 CB ASP A 140 13.964 3.896 -6.560 1.00 0.00 C ATOM 975 CG ASP A 140 13.996 3.787 -8.067 1.00 0.00 C ATOM 976 OD1 ASP A 140 15.028 4.171 -8.683 1.00 0.00 O ATOM 977 OD2 ASP A 140 12.983 3.350 -8.653 1.00 0.00 O ATOM 0 H ASP A 140 14.725 1.604 -5.313 1.00 0.00 H new ATOM 0 HA ASP A 140 16.125 3.922 -6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 140 13.182 3.245 -6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.699 4.915 -6.280 1.00 0.00 H new ATOM 982 N ARG A 141 15.854 3.373 -3.554 1.00 0.00 N ATOM 983 CA ARG A 141 15.889 3.805 -2.158 1.00 0.00 C ATOM 984 C ARG A 141 16.559 5.175 -2.016 1.00 0.00 C ATOM 985 O ARG A 141 17.711 5.371 -2.415 1.00 0.00 O ATOM 986 CB ARG A 141 16.587 2.754 -1.280 1.00 0.00 C ATOM 987 CG ARG A 141 18.060 2.558 -1.583 1.00 0.00 C ATOM 988 CD ARG A 141 18.845 2.230 -0.322 1.00 0.00 C ATOM 989 NE ARG A 141 18.951 3.378 0.585 1.00 0.00 N ATOM 990 CZ ARG A 141 19.869 4.344 0.466 1.00 0.00 C ATOM 991 NH1 ARG A 141 20.715 4.337 -0.549 1.00 0.00 N ATOM 992 NH2 ARG A 141 19.930 5.328 1.356 1.00 0.00 N ATOM 0 H ARG A 141 16.255 2.450 -3.717 1.00 0.00 H new ATOM 0 HA ARG A 141 14.860 3.906 -1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 141 16.480 3.043 -0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 141 16.074 1.800 -1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 141 18.180 1.753 -2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 141 18.463 3.462 -2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 141 18.362 1.403 0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 141 19.845 1.894 -0.597 1.00 0.00 H new ATOM 0 HE ARG A 141 18.284 3.444 1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 141 20.670 3.593 -1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 141 21.413 5.075 -0.636 1.00 0.00 H new ATOM 0 HH21 ARG A 141 19.274 5.351 2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 141 20.633 6.061 1.259 1.00 0.00 H new ATOM 1006 N PRO A 142 15.821 6.152 -1.473 1.00 0.00 N ATOM 1007 CA PRO A 142 16.318 7.516 -1.291 1.00 0.00 C ATOM 1008 C PRO A 142 17.486 7.573 -0.316 1.00 0.00 C ATOM 1009 O PRO A 142 17.410 7.039 0.788 1.00 0.00 O ATOM 1010 CB PRO A 142 15.115 8.278 -0.719 1.00 0.00 C ATOM 1011 CG PRO A 142 13.931 7.424 -1.014 1.00 0.00 C ATOM 1012 CD PRO A 142 14.430 6.008 -1.012 1.00 0.00 C ATOM 0 HA PRO A 142 16.693 7.935 -2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 142 15.226 8.440 0.353 1.00 0.00 H new ATOM 0 HB3 PRO A 142 15.016 9.260 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 142 13.152 7.564 -0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 142 13.494 7.682 -1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.377 5.562 -0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 142 13.847 5.373 -1.678 1.00 0.00 H new ATOM 1020 N THR A 143 18.571 8.213 -0.729 1.00 0.00 N ATOM 1021 CA THR A 143 19.740 8.348 0.124 1.00 0.00 C ATOM 1022 C THR A 143 19.765 9.711 0.823 1.00 0.00 C ATOM 1023 O THR A 143 20.193 9.821 1.971 1.00 0.00 O ATOM 1024 CB THR A 143 21.040 8.105 -0.688 1.00 0.00 C ATOM 1025 OG1 THR A 143 21.767 7.003 -0.124 1.00 0.00 O ATOM 1026 CG2 THR A 143 21.940 9.334 -0.740 1.00 0.00 C ATOM 0 H THR A 143 18.665 8.646 -1.648 1.00 0.00 H new ATOM 0 HA THR A 143 19.681 7.587 0.902 1.00 0.00 H new ATOM 0 HB THR A 143 20.739 7.878 -1.711 1.00 0.00 H new ATOM 0 HG1 THR A 143 22.586 6.852 -0.641 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.834 9.106 -1.321 1.00 0.00 H new ATOM 0 HG22 THR A 143 21.403 10.159 -1.209 1.00 0.00 H new ATOM 0 HG23 THR A 143 22.227 9.618 0.272 1.00 0.00 H new ATOM 1034 N ALA A 144 19.272 10.739 0.142 1.00 0.00 N ATOM 1035 CA ALA A 144 19.268 12.083 0.701 1.00 0.00 C ATOM 1036 C ALA A 144 17.921 12.392 1.332 1.00 0.00 C ATOM 1037 O ALA A 144 17.601 13.540 1.630 1.00 0.00 O ATOM 1038 CB ALA A 144 19.609 13.099 -0.376 1.00 0.00 C ATOM 0 H ALA A 144 18.872 10.667 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 144 20.027 12.142 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 144 19.603 14.101 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 144 20.598 12.883 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 144 18.871 13.043 -1.176 1.00 0.00 H new ATOM 1044 N LEU A 145 17.140 11.345 1.535 1.00 0.00 N ATOM 1045 CA LEU A 145 15.821 11.471 2.125 1.00 0.00 C ATOM 1046 C LEU A 145 15.523 10.246 2.974 1.00 0.00 C ATOM 1047 O LEU A 145 14.527 9.558 2.765 1.00 0.00 O ATOM 1048 CB LEU A 145 14.761 11.628 1.032 1.00 0.00 C ATOM 1049 CG LEU A 145 13.974 12.942 1.069 1.00 0.00 C ATOM 1050 CD1 LEU A 145 13.812 13.499 -0.335 1.00 0.00 C ATOM 1051 CD2 LEU A 145 12.611 12.730 1.716 1.00 0.00 C ATOM 0 H LEU A 145 17.402 10.388 1.296 1.00 0.00 H new ATOM 0 HA LEU A 145 15.798 12.359 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 145 15.248 11.542 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 145 14.057 10.799 1.109 1.00 0.00 H new ATOM 0 HG LEU A 145 14.531 13.662 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 145 13.251 14.433 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 145 14.795 13.685 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 145 13.274 12.779 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 145 12.066 13.674 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 145 12.046 11.995 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 145 12.745 12.369 2.736 1.00 0.00 H new ATOM 1063 N ILE A 146 16.400 9.971 3.930 1.00 0.00 N ATOM 1064 CA ILE A 146 16.269 8.783 4.761 1.00 0.00 C ATOM 1065 C ILE A 146 17.159 8.871 6.007 1.00 0.00 C ATOM 1066 O ILE A 146 16.758 8.426 7.084 1.00 0.00 O ATOM 1067 CB ILE A 146 16.592 7.492 3.955 1.00 0.00 C ATOM 1068 CG1 ILE A 146 15.855 6.289 4.547 1.00 0.00 C ATOM 1069 CG2 ILE A 146 18.091 7.215 3.902 1.00 0.00 C ATOM 1070 CD1 ILE A 146 15.734 5.124 3.587 1.00 0.00 C ATOM 0 H ILE A 146 17.208 10.554 4.149 1.00 0.00 H new ATOM 0 HA ILE A 146 15.231 8.731 5.088 1.00 0.00 H new ATOM 0 HB ILE A 146 16.248 7.654 2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 146 16.378 5.958 5.444 1.00 0.00 H new ATOM 0 HG13 ILE A 146 14.857 6.600 4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 146 18.273 6.305 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 146 18.599 8.052 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 146 18.474 7.090 4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 146 15.201 4.306 4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 146 15.185 5.439 2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 146 16.729 4.787 3.297 1.00 0.00 H new ATOM 1146 N GLY A 207 16.773 -1.814 3.914 1.00 0.00 N ATOM 1147 CA GLY A 207 15.931 -2.649 3.086 1.00 0.00 C ATOM 1148 C GLY A 207 14.970 -3.481 3.900 1.00 0.00 C ATOM 1149 O GLY A 207 15.338 -4.534 4.421 1.00 0.00 O ATOM 0 HA2 GLY A 207 15.369 -2.021 2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 207 16.557 -3.307 2.483 1.00 0.00 H new ATOM 1153 N SER A 208 13.741 -3.008 4.015 1.00 0.00 N ATOM 1154 CA SER A 208 12.711 -3.730 4.733 1.00 0.00 C ATOM 1155 C SER A 208 11.958 -4.667 3.780 1.00 0.00 C ATOM 1156 O SER A 208 12.206 -4.663 2.574 1.00 0.00 O ATOM 1157 CB SER A 208 11.752 -2.732 5.387 1.00 0.00 C ATOM 1158 OG SER A 208 12.306 -1.421 5.382 1.00 0.00 O ATOM 0 H SER A 208 13.433 -2.121 3.617 1.00 0.00 H new ATOM 0 HA SER A 208 13.170 -4.339 5.512 1.00 0.00 H new ATOM 0 HB2 SER A 208 10.801 -2.732 4.854 1.00 0.00 H new ATOM 0 HB3 SER A 208 11.543 -3.039 6.412 1.00 0.00 H new ATOM 0 HG SER A 208 11.677 -0.798 5.803 1.00 0.00 H new ATOM 1164 N ILE A 404 11.055 -5.468 4.325 1.00 0.00 N ATOM 1165 CA ILE A 404 10.260 -6.396 3.524 1.00 0.00 C ATOM 1166 C ILE A 404 8.843 -5.866 3.368 1.00 0.00 C ATOM 1167 O ILE A 404 8.253 -5.366 4.329 1.00 0.00 O ATOM 1168 CB ILE A 404 10.225 -7.798 4.178 1.00 0.00 C ATOM 1169 CG1 ILE A 404 11.650 -8.338 4.374 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.395 -8.771 3.356 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.429 -8.516 3.084 1.00 0.00 C ATOM 0 H ILE A 404 10.851 -5.496 5.324 1.00 0.00 H new ATOM 0 HA ILE A 404 10.724 -6.484 2.542 1.00 0.00 H new ATOM 0 HB ILE A 404 9.752 -7.698 5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 404 12.198 -7.658 5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 404 11.596 -9.298 4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 404 9.390 -9.746 3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.373 -8.400 3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 404 9.826 -8.865 2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.424 -8.900 3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 404 11.906 -9.220 2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.518 -7.555 2.577 1.00 0.00 H new ATOM 1183 N ALA A 405 8.320 -5.954 2.151 1.00 0.00 N ATOM 1184 CA ALA A 405 6.973 -5.484 1.857 1.00 0.00 C ATOM 1185 C ALA A 405 5.942 -6.251 2.677 1.00 0.00 C ATOM 1186 O ALA A 405 5.905 -7.483 2.635 1.00 0.00 O ATOM 1187 CB ALA A 405 6.677 -5.613 0.370 1.00 0.00 C ATOM 0 H ALA A 405 8.811 -6.348 1.349 1.00 0.00 H new ATOM 0 HA ALA A 405 6.911 -4.431 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.667 -5.257 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 405 7.392 -5.016 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.760 -6.658 0.072 1.00 0.00 H new ATOM 1193 N PRO A 406 5.112 -5.528 3.447 1.00 0.00 N ATOM 1194 CA PRO A 406 4.054 -6.133 4.265 1.00 0.00 C ATOM 1195 C PRO A 406 3.084 -6.971 3.434 1.00 0.00 C ATOM 1196 O PRO A 406 2.857 -6.698 2.255 1.00 0.00 O ATOM 1197 CB PRO A 406 3.334 -4.931 4.892 1.00 0.00 C ATOM 1198 CG PRO A 406 3.786 -3.741 4.118 1.00 0.00 C ATOM 1199 CD PRO A 406 5.153 -4.066 3.598 1.00 0.00 C ATOM 0 HA PRO A 406 4.463 -6.823 5.004 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.252 -5.048 4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.587 -4.830 5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 406 3.100 -3.528 3.298 1.00 0.00 H new ATOM 0 HG3 PRO A 406 3.812 -2.854 4.751 1.00 0.00 H new ATOM 0 HD2 PRO A 406 5.353 -3.568 2.649 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.933 -3.754 4.292 1.00 0.00 H new ATOM 1207 N PHE A 407 2.511 -7.984 4.063 1.00 0.00 N ATOM 1208 CA PHE A 407 1.657 -8.931 3.365 1.00 0.00 C ATOM 1209 C PHE A 407 0.218 -8.432 3.294 1.00 0.00 C ATOM 1210 O PHE A 407 -0.209 -7.622 4.122 1.00 0.00 O ATOM 1211 CB PHE A 407 1.692 -10.289 4.068 1.00 0.00 C ATOM 1212 CG PHE A 407 2.854 -11.155 3.671 1.00 0.00 C ATOM 1213 CD1 PHE A 407 4.153 -10.772 3.967 1.00 0.00 C ATOM 1214 CD2 PHE A 407 2.647 -12.358 3.010 1.00 0.00 C ATOM 1215 CE1 PHE A 407 5.222 -11.573 3.613 1.00 0.00 C ATOM 1216 CE2 PHE A 407 3.713 -13.161 2.656 1.00 0.00 C ATOM 1217 CZ PHE A 407 5.000 -12.768 2.957 1.00 0.00 C ATOM 0 H PHE A 407 2.622 -8.172 5.059 1.00 0.00 H new ATOM 0 HA PHE A 407 2.037 -9.034 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 407 1.724 -10.128 5.146 1.00 0.00 H new ATOM 0 HB3 PHE A 407 0.766 -10.821 3.853 1.00 0.00 H new ATOM 0 HD1 PHE A 407 4.331 -9.838 4.479 1.00 0.00 H new ATOM 0 HD2 PHE A 407 1.641 -12.669 2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 407 6.230 -11.265 3.849 1.00 0.00 H new ATOM 0 HE2 PHE A 407 3.539 -14.096 2.144 1.00 0.00 H new ATOM 0 HZ PHE A 407 5.835 -13.395 2.680 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.543 -8.903 2.292 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.959 -8.579 2.162 1.00 0.00 C ATOM 1229 C PRO A 408 -2.821 -9.368 3.147 1.00 0.00 C ATOM 1230 O PRO A 408 -2.884 -10.600 3.098 1.00 0.00 O ATOM 1231 CB PRO A 408 -2.279 -8.969 0.718 1.00 0.00 C ATOM 1232 CG PRO A 408 -1.310 -10.054 0.390 1.00 0.00 C ATOM 1233 CD PRO A 408 -0.069 -9.774 1.195 1.00 0.00 C ATOM 0 HA PRO A 408 -2.167 -7.532 2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -3.308 -9.316 0.621 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -2.164 -8.120 0.045 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.722 -11.032 0.640 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -1.086 -10.066 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.374 -10.693 1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 408 0.694 -9.279 0.594 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.484 -8.648 4.037 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.323 -9.257 5.056 1.00 0.00 C ATOM 1243 C GLU A 409 -5.710 -8.634 5.021 1.00 0.00 C ATOM 1244 O GLU A 409 -5.911 -7.603 4.379 1.00 0.00 O ATOM 1245 CB GLU A 409 -3.705 -9.065 6.446 1.00 0.00 C ATOM 1246 CG GLU A 409 -2.691 -10.131 6.817 1.00 0.00 C ATOM 1247 CD GLU A 409 -1.387 -9.546 7.321 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -1.372 -8.366 7.737 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -0.369 -10.268 7.313 1.00 0.00 O ATOM 0 H GLU A 409 -3.456 -7.629 4.074 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.399 -10.325 4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -3.223 -8.088 6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -4.501 -9.060 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -3.115 -10.779 7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -2.492 -10.756 5.947 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.664 -9.253 5.695 1.00 0.00 N ATOM 1257 CA ALA A 410 -8.005 -8.700 5.783 1.00 0.00 C ATOM 1258 C ALA A 410 -8.008 -7.522 6.747 1.00 0.00 C ATOM 1259 O ALA A 410 -7.857 -7.697 7.958 1.00 0.00 O ATOM 1260 CB ALA A 410 -8.997 -9.763 6.229 1.00 0.00 C ATOM 0 H ALA A 410 -6.536 -10.137 6.188 1.00 0.00 H new ATOM 0 HA ALA A 410 -8.311 -8.352 4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -9.995 -9.328 6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -9.001 -10.582 5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -8.708 -10.142 7.209 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.175 -6.325 6.207 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.076 -5.113 7.004 1.00 0.00 C ATOM 1268 C ALA A 411 -9.430 -4.724 7.588 1.00 0.00 C ATOM 1269 O ALA A 411 -9.744 -5.061 8.731 1.00 0.00 O ATOM 1270 CB ALA A 411 -7.504 -3.973 6.176 1.00 0.00 C ATOM 0 H ALA A 411 -8.380 -6.167 5.220 1.00 0.00 H new ATOM 0 HA ALA A 411 -7.398 -5.313 7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -7.438 -3.075 6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.510 -4.244 5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.154 -3.782 5.322 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.235 -4.026 6.797 1.00 0.00 N ATOM 1277 CA LEU A 412 -11.516 -3.523 7.266 1.00 0.00 C ATOM 1278 C LEU A 412 -12.625 -3.858 6.274 1.00 0.00 C ATOM 1279 O LEU A 412 -12.483 -3.637 5.073 1.00 0.00 O ATOM 1280 CB LEU A 412 -11.448 -2.005 7.492 1.00 0.00 C ATOM 1281 CG LEU A 412 -11.475 -1.142 6.229 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -12.130 0.197 6.523 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -10.067 -0.947 5.681 1.00 0.00 C ATOM 0 H LEU A 412 -10.021 -3.796 5.827 1.00 0.00 H new ATOM 0 HA LEU A 412 -11.744 -4.008 8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -12.285 -1.713 8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -10.536 -1.779 8.044 1.00 0.00 H new ATOM 0 HG LEU A 412 -12.064 -1.655 5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -12.143 0.802 5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -13.152 0.035 6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -11.565 0.716 7.298 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -10.108 -0.331 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -9.449 -0.454 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -9.634 -1.917 5.436 1.00 0.00 H new ATOM 1295 N PRO A 413 -13.729 -4.437 6.763 1.00 0.00 N ATOM 1296 CA PRO A 413 -14.920 -4.666 5.951 1.00 0.00 C ATOM 1297 C PRO A 413 -15.761 -3.396 5.835 1.00 0.00 C ATOM 1298 O PRO A 413 -16.201 -2.835 6.842 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.668 -5.748 6.731 1.00 0.00 C ATOM 1300 CG PRO A 413 -15.277 -5.533 8.156 1.00 0.00 C ATOM 1301 CD PRO A 413 -13.889 -4.939 8.141 1.00 0.00 C ATOM 0 HA PRO A 413 -14.689 -4.956 4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -16.746 -5.657 6.599 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.389 -6.745 6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -15.979 -4.863 8.653 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -15.289 -6.474 8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -13.791 -4.136 8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.133 -5.686 8.384 1.00 0.00 H new ATOM 1309 N THR A 414 -15.980 -2.935 4.613 1.00 0.00 N ATOM 1310 CA THR A 414 -16.704 -1.693 4.406 1.00 0.00 C ATOM 1311 C THR A 414 -18.201 -1.928 4.186 1.00 0.00 C ATOM 1312 O THR A 414 -18.862 -2.575 4.998 1.00 0.00 O ATOM 1313 CB THR A 414 -16.107 -0.895 3.233 1.00 0.00 C ATOM 1314 OG1 THR A 414 -15.995 -1.723 2.065 1.00 0.00 O ATOM 1315 CG2 THR A 414 -14.735 -0.354 3.610 1.00 0.00 C ATOM 0 H THR A 414 -15.670 -3.398 3.758 1.00 0.00 H new ATOM 0 HA THR A 414 -16.595 -1.107 5.319 1.00 0.00 H new ATOM 0 HB THR A 414 -16.774 -0.061 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 414 -15.205 -2.297 2.146 1.00 0.00 H new ATOM 0 HG21 THR A 414 -14.323 0.209 2.772 1.00 0.00 H new ATOM 0 HG22 THR A 414 -14.828 0.301 4.476 1.00 0.00 H new ATOM 0 HG23 THR A 414 -14.071 -1.184 3.852 1.00 0.00 H new ATOM 1323 N SER A 415 -18.735 -1.393 3.099 1.00 0.00 N ATOM 1324 CA SER A 415 -20.159 -1.485 2.826 1.00 0.00 C ATOM 1325 C SER A 415 -20.501 -2.734 2.007 1.00 0.00 C ATOM 1326 O SER A 415 -19.612 -3.462 1.556 1.00 0.00 O ATOM 1327 CB SER A 415 -20.600 -0.220 2.096 1.00 0.00 C ATOM 1328 OG SER A 415 -19.574 0.767 2.141 1.00 0.00 O ATOM 0 H SER A 415 -18.201 -0.890 2.390 1.00 0.00 H new ATOM 0 HA SER A 415 -20.695 -1.574 3.771 1.00 0.00 H new ATOM 0 HB2 SER A 415 -20.840 -0.456 1.059 1.00 0.00 H new ATOM 0 HB3 SER A 415 -21.509 0.172 2.552 1.00 0.00 H new ATOM 0 HG SER A 415 -19.461 1.080 3.063 1.00 0.00 H new