USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 98 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 176:sc= 0 (180deg=-0.0237) USER MOD Single : A 106 LYS NZ :NH3+ 163:sc=-0.00431 (180deg=-0.106) USER MOD Single : A 107 ASN : amide:sc= 0.0792 K(o=0.079,f=-0.48) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -178:sc= -0.0207 (180deg=-0.0252) USER MOD Single : A 120 MET CE :methyl 144:sc= -5.57! (180deg=-11.8!) USER MOD Single : A 122 GLN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -97:sc= 1.29 USER MOD Single : A 137 MET CE :methyl -164:sc= -0.759 (180deg=-1.56!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.524 X(o=-0.52,f=-0.32) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 MET CE :methyl 177:sc= -0.775 (180deg=-0.8) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 93 2.728 14.319 -1.240 1.00 0.00 N ATOM 72 CA SER A 93 3.218 12.993 -0.881 1.00 0.00 C ATOM 73 C SER A 93 2.253 12.295 0.072 1.00 0.00 C ATOM 74 O SER A 93 1.928 11.122 -0.107 1.00 0.00 O ATOM 75 CB SER A 93 4.603 13.096 -0.239 1.00 0.00 C ATOM 76 OG SER A 93 5.375 11.937 -0.504 1.00 0.00 O ATOM 0 HA SER A 93 3.290 12.400 -1.793 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.120 13.976 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.499 13.229 0.838 1.00 0.00 H new ATOM 0 HG SER A 93 6.256 12.028 -0.085 1.00 0.00 H new ATOM 82 N GLU A 94 1.799 13.026 1.085 1.00 0.00 N ATOM 83 CA GLU A 94 0.871 12.477 2.067 1.00 0.00 C ATOM 84 C GLU A 94 -0.525 12.328 1.471 1.00 0.00 C ATOM 85 O GLU A 94 -1.229 11.356 1.749 1.00 0.00 O ATOM 86 CB GLU A 94 0.816 13.372 3.306 1.00 0.00 C ATOM 87 CG GLU A 94 0.631 12.604 4.604 1.00 0.00 C ATOM 88 CD GLU A 94 0.069 13.467 5.717 1.00 0.00 C ATOM 89 OE1 GLU A 94 -1.155 13.716 5.714 1.00 0.00 O ATOM 90 OE2 GLU A 94 0.853 13.893 6.591 1.00 0.00 O ATOM 0 H GLU A 94 2.058 13.999 1.247 1.00 0.00 H new ATOM 0 HA GLU A 94 1.231 11.490 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.736 13.953 3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.003 14.083 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.037 11.760 4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.590 12.192 4.918 1.00 0.00 H new ATOM 97 N GLU A 95 -0.920 13.296 0.651 1.00 0.00 N ATOM 98 CA GLU A 95 -2.233 13.273 0.015 1.00 0.00 C ATOM 99 C GLU A 95 -2.402 12.020 -0.838 1.00 0.00 C ATOM 100 O GLU A 95 -3.505 11.489 -0.965 1.00 0.00 O ATOM 101 CB GLU A 95 -2.426 14.521 -0.848 1.00 0.00 C ATOM 102 CG GLU A 95 -2.866 15.744 -0.059 1.00 0.00 C ATOM 103 CD GLU A 95 -4.335 16.066 -0.253 1.00 0.00 C ATOM 104 OE1 GLU A 95 -5.183 15.281 0.220 1.00 0.00 O ATOM 105 OE2 GLU A 95 -4.637 17.105 -0.878 1.00 0.00 O ATOM 0 H GLU A 95 -0.350 14.107 0.411 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.989 13.261 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.491 14.747 -1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.168 14.309 -1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.671 15.578 1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.267 16.602 -0.362 1.00 0.00 H new ATOM 112 N GLU A 96 -1.303 11.554 -1.420 1.00 0.00 N ATOM 113 CA GLU A 96 -1.330 10.364 -2.261 1.00 0.00 C ATOM 114 C GLU A 96 -1.797 9.147 -1.468 1.00 0.00 C ATOM 115 O GLU A 96 -2.786 8.506 -1.822 1.00 0.00 O ATOM 116 CB GLU A 96 0.056 10.100 -2.853 1.00 0.00 C ATOM 117 CG GLU A 96 0.590 11.252 -3.689 1.00 0.00 C ATOM 118 CD GLU A 96 1.189 10.791 -5.003 1.00 0.00 C ATOM 119 OE1 GLU A 96 0.721 9.765 -5.541 1.00 0.00 O ATOM 120 OE2 GLU A 96 2.125 11.456 -5.494 1.00 0.00 O ATOM 0 H GLU A 96 -0.382 11.982 -1.325 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.037 10.540 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.755 9.896 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.013 9.203 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.218 11.956 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.347 11.790 -3.118 1.00 0.00 H new ATOM 127 N LEU A 97 -1.079 8.836 -0.394 1.00 0.00 N ATOM 128 CA LEU A 97 -1.420 7.697 0.449 1.00 0.00 C ATOM 129 C LEU A 97 -2.705 7.959 1.226 1.00 0.00 C ATOM 130 O LEU A 97 -3.471 7.038 1.507 1.00 0.00 O ATOM 131 CB LEU A 97 -0.277 7.393 1.418 1.00 0.00 C ATOM 132 CG LEU A 97 1.013 6.895 0.761 1.00 0.00 C ATOM 133 CD1 LEU A 97 2.204 7.721 1.224 1.00 0.00 C ATOM 134 CD2 LEU A 97 1.232 5.420 1.066 1.00 0.00 C ATOM 0 H LEU A 97 -0.257 9.357 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.578 6.834 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.053 8.296 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.616 6.643 2.132 1.00 0.00 H new ATOM 0 HG LEU A 97 0.916 7.012 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.111 7.351 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.050 8.765 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.305 7.639 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.153 5.083 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.307 5.279 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.393 4.840 0.681 1.00 0.00 H new ATOM 146 N SER A 98 -2.935 9.223 1.572 1.00 0.00 N ATOM 147 CA SER A 98 -4.130 9.609 2.317 1.00 0.00 C ATOM 148 C SER A 98 -5.387 9.037 1.669 1.00 0.00 C ATOM 149 O SER A 98 -6.321 8.624 2.357 1.00 0.00 O ATOM 150 CB SER A 98 -4.235 11.133 2.400 1.00 0.00 C ATOM 151 OG SER A 98 -5.172 11.528 3.387 1.00 0.00 O ATOM 0 H SER A 98 -2.310 9.997 1.348 1.00 0.00 H new ATOM 0 HA SER A 98 -4.045 9.201 3.324 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.258 11.556 2.633 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.533 11.533 1.431 1.00 0.00 H new ATOM 0 HG SER A 98 -5.219 12.506 3.421 1.00 0.00 H new ATOM 157 N ASP A 99 -5.400 9.012 0.340 1.00 0.00 N ATOM 158 CA ASP A 99 -6.537 8.486 -0.404 1.00 0.00 C ATOM 159 C ASP A 99 -6.438 6.971 -0.546 1.00 0.00 C ATOM 160 O ASP A 99 -7.452 6.277 -0.630 1.00 0.00 O ATOM 161 CB ASP A 99 -6.612 9.135 -1.788 1.00 0.00 C ATOM 162 CG ASP A 99 -7.914 8.827 -2.501 1.00 0.00 C ATOM 163 OD1 ASP A 99 -8.985 9.168 -1.956 1.00 0.00 O ATOM 164 OD2 ASP A 99 -7.862 8.244 -3.605 1.00 0.00 O ATOM 0 H ASP A 99 -4.635 9.350 -0.243 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.445 8.724 0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.503 10.215 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.777 8.786 -2.396 1.00 0.00 H new ATOM 169 N LEU A 100 -5.209 6.463 -0.571 1.00 0.00 N ATOM 170 CA LEU A 100 -4.977 5.030 -0.702 1.00 0.00 C ATOM 171 C LEU A 100 -5.423 4.288 0.554 1.00 0.00 C ATOM 172 O LEU A 100 -6.170 3.313 0.478 1.00 0.00 O ATOM 173 CB LEU A 100 -3.496 4.753 -0.973 1.00 0.00 C ATOM 174 CG LEU A 100 -3.044 4.994 -2.415 1.00 0.00 C ATOM 175 CD1 LEU A 100 -1.546 5.256 -2.468 1.00 0.00 C ATOM 176 CD2 LEU A 100 -3.410 3.807 -3.293 1.00 0.00 C ATOM 0 H LEU A 100 -4.359 7.023 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.567 4.669 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.898 5.380 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.282 3.717 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.560 5.875 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.243 5.425 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.309 6.137 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.011 4.394 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.081 3.995 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.921 2.910 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.491 3.664 -3.280 1.00 0.00 H new ATOM 188 N PHE A 101 -4.961 4.757 1.711 1.00 0.00 N ATOM 189 CA PHE A 101 -5.313 4.137 2.985 1.00 0.00 C ATOM 190 C PHE A 101 -6.827 4.059 3.159 1.00 0.00 C ATOM 191 O PHE A 101 -7.357 3.050 3.622 1.00 0.00 O ATOM 192 CB PHE A 101 -4.695 4.918 4.147 1.00 0.00 C ATOM 193 CG PHE A 101 -4.604 4.128 5.421 1.00 0.00 C ATOM 194 CD1 PHE A 101 -3.716 3.069 5.535 1.00 0.00 C ATOM 195 CD2 PHE A 101 -5.405 4.444 6.506 1.00 0.00 C ATOM 196 CE1 PHE A 101 -3.630 2.342 6.707 1.00 0.00 C ATOM 197 CE2 PHE A 101 -5.324 3.720 7.681 1.00 0.00 C ATOM 198 CZ PHE A 101 -4.435 2.667 7.781 1.00 0.00 C ATOM 0 H PHE A 101 -4.342 5.564 1.792 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.914 3.122 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.696 5.248 3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.288 5.815 4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.084 2.809 4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.101 5.266 6.433 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.934 1.520 6.783 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.955 3.977 8.519 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.370 2.099 8.697 1.00 0.00 H new ATOM 208 N ARG A 102 -7.518 5.132 2.784 1.00 0.00 N ATOM 209 CA ARG A 102 -8.971 5.183 2.900 1.00 0.00 C ATOM 210 C ARG A 102 -9.620 4.046 2.118 1.00 0.00 C ATOM 211 O ARG A 102 -10.563 3.411 2.592 1.00 0.00 O ATOM 212 CB ARG A 102 -9.497 6.529 2.396 1.00 0.00 C ATOM 213 CG ARG A 102 -10.992 6.714 2.605 1.00 0.00 C ATOM 214 CD ARG A 102 -11.731 6.857 1.283 1.00 0.00 C ATOM 215 NE ARG A 102 -12.131 8.239 1.027 1.00 0.00 N ATOM 216 CZ ARG A 102 -12.533 8.686 -0.161 1.00 0.00 C ATOM 217 NH1 ARG A 102 -12.588 7.866 -1.203 1.00 0.00 N ATOM 218 NH2 ARG A 102 -12.879 9.957 -0.307 1.00 0.00 N ATOM 0 H ARG A 102 -7.095 5.976 2.398 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.230 5.070 3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.965 7.332 2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.273 6.623 1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.391 5.861 3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -11.167 7.598 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.093 6.508 0.471 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.615 6.219 1.291 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.100 8.900 1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.321 6.887 -1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.897 8.215 -2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.837 10.592 0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.187 10.300 -1.217 1.00 0.00 H new ATOM 232 N MET A 103 -9.109 3.793 0.918 1.00 0.00 N ATOM 233 CA MET A 103 -9.637 2.731 0.069 1.00 0.00 C ATOM 234 C MET A 103 -9.055 1.377 0.463 1.00 0.00 C ATOM 235 O MET A 103 -9.683 0.338 0.259 1.00 0.00 O ATOM 236 CB MET A 103 -9.327 3.023 -1.400 1.00 0.00 C ATOM 237 CG MET A 103 -10.228 2.279 -2.372 1.00 0.00 C ATOM 238 SD MET A 103 -10.324 3.082 -3.983 1.00 0.00 S ATOM 239 CE MET A 103 -8.625 2.946 -4.531 1.00 0.00 C ATOM 0 H MET A 103 -8.329 4.309 0.511 1.00 0.00 H new ATOM 0 HA MET A 103 -10.718 2.695 0.206 1.00 0.00 H new ATOM 0 HB2 MET A 103 -9.422 4.094 -1.577 1.00 0.00 H new ATOM 0 HB3 MET A 103 -8.290 2.757 -1.603 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.858 1.262 -2.499 1.00 0.00 H new ATOM 0 HG3 MET A 103 -11.229 2.203 -1.948 1.00 0.00 H new ATOM 0 HE1 MET A 103 -8.538 3.335 -5.545 1.00 0.00 H new ATOM 0 HE2 MET A 103 -7.981 3.520 -3.865 1.00 0.00 H new ATOM 0 HE3 MET A 103 -8.321 1.899 -4.517 1.00 0.00 H new ATOM 249 N PHE A 104 -7.852 1.396 1.029 1.00 0.00 N ATOM 250 CA PHE A 104 -7.185 0.170 1.451 1.00 0.00 C ATOM 251 C PHE A 104 -7.848 -0.408 2.697 1.00 0.00 C ATOM 252 O PHE A 104 -7.961 -1.625 2.845 1.00 0.00 O ATOM 253 CB PHE A 104 -5.704 0.440 1.723 1.00 0.00 C ATOM 254 CG PHE A 104 -4.790 -0.611 1.162 1.00 0.00 C ATOM 255 CD1 PHE A 104 -4.826 -1.908 1.647 1.00 0.00 C ATOM 256 CD2 PHE A 104 -3.896 -0.302 0.150 1.00 0.00 C ATOM 257 CE1 PHE A 104 -3.986 -2.877 1.133 1.00 0.00 C ATOM 258 CE2 PHE A 104 -3.054 -1.267 -0.368 1.00 0.00 C ATOM 259 CZ PHE A 104 -3.099 -2.556 0.124 1.00 0.00 C ATOM 0 H PHE A 104 -7.319 2.248 1.206 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.272 -0.559 0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.435 1.408 1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.547 0.509 2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.518 -2.165 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.857 0.705 -0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.023 -3.885 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.361 -1.013 -1.157 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.442 -3.312 -0.279 1.00 0.00 H new ATOM 269 N ASP A 105 -8.285 0.473 3.591 1.00 0.00 N ATOM 270 CA ASP A 105 -8.936 0.051 4.825 1.00 0.00 C ATOM 271 C ASP A 105 -10.371 -0.394 4.560 1.00 0.00 C ATOM 272 O ASP A 105 -11.323 0.207 5.059 1.00 0.00 O ATOM 273 CB ASP A 105 -8.917 1.186 5.850 1.00 0.00 C ATOM 274 CG ASP A 105 -8.878 0.676 7.277 1.00 0.00 C ATOM 275 OD1 ASP A 105 -9.568 -0.323 7.570 1.00 0.00 O ATOM 276 OD2 ASP A 105 -8.155 1.275 8.102 1.00 0.00 O ATOM 0 H ASP A 105 -8.200 1.484 3.484 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.383 -0.798 5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -8.049 1.820 5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.801 1.809 5.714 1.00 0.00 H new ATOM 281 N LYS A 106 -10.519 -1.453 3.770 1.00 0.00 N ATOM 282 CA LYS A 106 -11.836 -1.983 3.436 1.00 0.00 C ATOM 283 C LYS A 106 -12.617 -2.349 4.695 1.00 0.00 C ATOM 284 O LYS A 106 -13.848 -2.323 4.703 1.00 0.00 O ATOM 285 CB LYS A 106 -11.700 -3.211 2.535 1.00 0.00 C ATOM 286 CG LYS A 106 -11.049 -2.913 1.194 1.00 0.00 C ATOM 287 CD LYS A 106 -11.897 -1.963 0.363 1.00 0.00 C ATOM 288 CE LYS A 106 -11.901 -2.359 -1.105 1.00 0.00 C ATOM 289 NZ LYS A 106 -12.680 -3.606 -1.341 1.00 0.00 N ATOM 0 H LYS A 106 -9.742 -1.962 3.349 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.385 -1.206 2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.113 -3.969 3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.689 -3.636 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.063 -2.476 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.899 -3.843 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.919 -1.959 0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.515 -0.947 0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.324 -1.549 -1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.875 -2.502 -1.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.904 -3.689 -2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.118 -4.428 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.563 -3.573 -0.792 1.00 0.00 H new ATOM 303 N ASN A 107 -11.895 -2.688 5.758 1.00 0.00 N ATOM 304 CA ASN A 107 -12.521 -3.057 7.022 1.00 0.00 C ATOM 305 C ASN A 107 -13.170 -1.845 7.685 1.00 0.00 C ATOM 306 O ASN A 107 -14.091 -1.985 8.489 1.00 0.00 O ATOM 307 CB ASN A 107 -11.488 -3.677 7.966 1.00 0.00 C ATOM 308 CG ASN A 107 -12.103 -4.144 9.271 1.00 0.00 C ATOM 309 OD1 ASN A 107 -13.238 -4.619 9.302 1.00 0.00 O ATOM 310 ND2 ASN A 107 -11.353 -4.009 10.359 1.00 0.00 N ATOM 0 H ASN A 107 -10.875 -2.715 5.769 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.298 -3.792 6.811 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -11.008 -4.521 7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.708 -2.946 8.177 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.713 -4.305 11.266 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.417 -3.610 10.287 1.00 0.00 H new ATOM 317 N ALA A 108 -12.682 -0.656 7.342 1.00 0.00 N ATOM 318 CA ALA A 108 -13.212 0.580 7.903 1.00 0.00 C ATOM 319 C ALA A 108 -12.926 0.670 9.399 1.00 0.00 C ATOM 320 O ALA A 108 -13.827 0.523 10.224 1.00 0.00 O ATOM 321 CB ALA A 108 -14.708 0.685 7.640 1.00 0.00 C ATOM 0 H ALA A 108 -11.920 -0.524 6.677 1.00 0.00 H new ATOM 0 HA ALA A 108 -12.712 1.415 7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -15.088 1.614 8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -14.890 0.677 6.565 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -15.219 -0.161 8.101 1.00 0.00 H new ATOM 327 N ASP A 109 -11.665 0.914 9.739 1.00 0.00 N ATOM 328 CA ASP A 109 -11.256 1.025 11.134 1.00 0.00 C ATOM 329 C ASP A 109 -10.118 2.028 11.287 1.00 0.00 C ATOM 330 O ASP A 109 -10.149 2.887 12.168 1.00 0.00 O ATOM 331 CB ASP A 109 -10.826 -0.340 11.672 1.00 0.00 C ATOM 332 CG ASP A 109 -9.733 -0.973 10.834 1.00 0.00 C ATOM 333 OD1 ASP A 109 -10.043 -1.465 9.729 1.00 0.00 O ATOM 334 OD2 ASP A 109 -8.567 -0.976 11.282 1.00 0.00 O ATOM 0 H ASP A 109 -10.908 1.039 9.067 1.00 0.00 H new ATOM 0 HA ASP A 109 -12.110 1.381 11.711 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.475 -0.229 12.698 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.689 -1.005 11.700 1.00 0.00 H new ATOM 339 N GLY A 110 -9.115 1.915 10.421 1.00 0.00 N ATOM 340 CA GLY A 110 -7.984 2.822 10.476 1.00 0.00 C ATOM 341 C GLY A 110 -6.645 2.105 10.454 1.00 0.00 C ATOM 342 O GLY A 110 -5.596 2.748 10.442 1.00 0.00 O ATOM 0 H GLY A 110 -9.066 1.212 9.683 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.035 3.509 9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.052 3.424 11.382 1.00 0.00 H new ATOM 346 N TYR A 111 -6.674 0.773 10.452 1.00 0.00 N ATOM 347 CA TYR A 111 -5.445 -0.014 10.434 1.00 0.00 C ATOM 348 C TYR A 111 -5.533 -1.142 9.410 1.00 0.00 C ATOM 349 O TYR A 111 -6.623 -1.502 8.965 1.00 0.00 O ATOM 350 CB TYR A 111 -5.159 -0.594 11.823 1.00 0.00 C ATOM 351 CG TYR A 111 -5.611 0.294 12.962 1.00 0.00 C ATOM 352 CD1 TYR A 111 -5.205 1.620 13.038 1.00 0.00 C ATOM 353 CD2 TYR A 111 -6.444 -0.195 13.961 1.00 0.00 C ATOM 354 CE1 TYR A 111 -5.616 2.434 14.076 1.00 0.00 C ATOM 355 CE2 TYR A 111 -6.860 0.613 15.002 1.00 0.00 C ATOM 356 CZ TYR A 111 -6.443 1.927 15.055 1.00 0.00 C ATOM 357 OH TYR A 111 -6.854 2.735 16.090 1.00 0.00 O ATOM 0 H TYR A 111 -7.531 0.220 10.463 1.00 0.00 H new ATOM 0 HA TYR A 111 -4.628 0.649 10.150 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.653 -1.561 11.911 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -4.088 -0.773 11.918 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -4.557 2.022 12.273 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.772 -1.223 13.923 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -5.291 3.463 14.120 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -7.508 0.218 15.770 1.00 0.00 H new ATOM 0 HH TYR A 111 -7.433 2.224 16.693 1.00 0.00 H new ATOM 367 N ILE A 112 -4.382 -1.702 9.039 1.00 0.00 N ATOM 368 CA ILE A 112 -4.348 -2.791 8.067 1.00 0.00 C ATOM 369 C ILE A 112 -3.742 -4.054 8.672 1.00 0.00 C ATOM 370 O ILE A 112 -2.768 -3.991 9.422 1.00 0.00 O ATOM 371 CB ILE A 112 -3.547 -2.404 6.809 1.00 0.00 C ATOM 372 CG1 ILE A 112 -3.977 -1.021 6.310 1.00 0.00 C ATOM 373 CG2 ILE A 112 -3.733 -3.452 5.721 1.00 0.00 C ATOM 374 CD1 ILE A 112 -3.328 -0.616 5.002 1.00 0.00 C ATOM 0 H ILE A 112 -3.468 -1.421 9.394 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.382 -2.987 7.783 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.489 -2.362 7.066 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.060 -1.010 6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.735 -0.279 7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.161 -3.165 4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -3.382 -4.418 6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -4.789 -3.524 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.681 0.374 4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.245 -0.594 5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.591 -1.336 4.227 1.00 0.00 H new ATOM 386 N ASP A 113 -4.325 -5.200 8.337 1.00 0.00 N ATOM 387 CA ASP A 113 -3.844 -6.480 8.843 1.00 0.00 C ATOM 388 C ASP A 113 -3.723 -7.497 7.713 1.00 0.00 C ATOM 389 O ASP A 113 -3.845 -7.149 6.538 1.00 0.00 O ATOM 390 CB ASP A 113 -4.785 -7.012 9.926 1.00 0.00 C ATOM 391 CG ASP A 113 -4.038 -7.677 11.065 1.00 0.00 C ATOM 392 OD1 ASP A 113 -3.112 -8.468 10.786 1.00 0.00 O ATOM 393 OD2 ASP A 113 -4.377 -7.406 12.237 1.00 0.00 O ATOM 0 H ASP A 113 -5.132 -5.268 7.717 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.856 -6.324 9.277 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.384 -6.190 10.319 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.477 -7.728 9.482 1.00 0.00 H new ATOM 398 N LEU A 114 -3.482 -8.753 8.073 1.00 0.00 N ATOM 399 CA LEU A 114 -3.344 -9.820 7.086 1.00 0.00 C ATOM 400 C LEU A 114 -4.564 -9.882 6.169 1.00 0.00 C ATOM 401 O LEU A 114 -4.464 -10.302 5.016 1.00 0.00 O ATOM 402 CB LEU A 114 -3.147 -11.168 7.785 1.00 0.00 C ATOM 403 CG LEU A 114 -1.689 -11.601 7.956 1.00 0.00 C ATOM 404 CD1 LEU A 114 -1.196 -11.279 9.358 1.00 0.00 C ATOM 405 CD2 LEU A 114 -1.535 -13.086 7.663 1.00 0.00 C ATOM 0 H LEU A 114 -3.378 -9.058 9.041 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.467 -9.602 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.614 -11.122 8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.674 -11.935 7.217 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.080 -11.045 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.158 -11.594 9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.268 -10.205 9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.809 -11.806 10.089 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.492 -13.376 7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.157 -13.659 8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.846 -13.289 6.638 1.00 0.00 H new ATOM 417 N GLU A 115 -5.713 -9.462 6.689 1.00 0.00 N ATOM 418 CA GLU A 115 -6.950 -9.472 5.915 1.00 0.00 C ATOM 419 C GLU A 115 -6.905 -8.430 4.802 1.00 0.00 C ATOM 420 O GLU A 115 -7.195 -8.731 3.645 1.00 0.00 O ATOM 421 CB GLU A 115 -8.149 -9.209 6.828 1.00 0.00 C ATOM 422 CG GLU A 115 -9.466 -9.573 6.170 1.00 0.00 C ATOM 423 OE1 GLU A 115 -10.192 -10.424 6.726 1.00 0.00 O ATOM 424 OE2 GLU A 115 -9.772 -9.006 5.100 1.00 0.00 O ATOM 0 H GLU A 115 -5.814 -9.111 7.641 1.00 0.00 H new ATOM 0 HA GLU A 115 -7.057 -10.457 5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.035 -9.782 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.165 -8.156 7.109 1.00 0.00 H new ATOM 429 N GLU A 116 -6.541 -7.203 5.161 1.00 0.00 N ATOM 430 CA GLU A 116 -6.459 -6.116 4.192 1.00 0.00 C ATOM 431 C GLU A 116 -5.193 -6.229 3.350 1.00 0.00 C ATOM 432 O GLU A 116 -5.198 -5.912 2.160 1.00 0.00 O ATOM 433 CB GLU A 116 -6.492 -4.764 4.906 1.00 0.00 C ATOM 434 CG GLU A 116 -7.875 -4.370 5.398 1.00 0.00 C ATOM 435 CD GLU A 116 -7.838 -3.677 6.746 1.00 0.00 C ATOM 436 OE1 GLU A 116 -7.858 -4.382 7.776 1.00 0.00 O ATOM 437 OE2 GLU A 116 -7.790 -2.429 6.770 1.00 0.00 O ATOM 0 H GLU A 116 -6.298 -6.937 6.115 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.321 -6.190 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.808 -4.794 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -6.124 -3.995 4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.342 -3.710 4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.499 -5.261 5.468 1.00 0.00 H new ATOM 444 N LEU A 117 -4.108 -6.684 3.970 1.00 0.00 N ATOM 445 CA LEU A 117 -2.838 -6.838 3.268 1.00 0.00 C ATOM 446 C LEU A 117 -3.021 -7.631 1.977 1.00 0.00 C ATOM 447 O LEU A 117 -2.265 -7.463 1.023 1.00 0.00 O ATOM 448 CB LEU A 117 -1.810 -7.530 4.166 1.00 0.00 C ATOM 449 CG LEU A 117 -0.364 -7.071 3.962 1.00 0.00 C ATOM 450 CD1 LEU A 117 0.044 -6.090 5.050 1.00 0.00 C ATOM 451 CD2 LEU A 117 0.578 -8.265 3.938 1.00 0.00 C ATOM 0 H LEU A 117 -4.083 -6.952 4.954 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.472 -5.843 3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.086 -7.361 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.863 -8.605 3.993 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.298 -6.563 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.075 -5.775 4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.611 -5.219 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.039 -6.572 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.601 -7.918 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.508 -8.802 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.301 -8.931 3.121 1.00 0.00 H new ATOM 463 N LYS A 118 -4.035 -8.489 1.955 1.00 0.00 N ATOM 464 CA LYS A 118 -4.326 -9.302 0.779 1.00 0.00 C ATOM 465 C LYS A 118 -4.720 -8.422 -0.404 1.00 0.00 C ATOM 466 O LYS A 118 -4.539 -8.799 -1.561 1.00 0.00 O ATOM 467 CB LYS A 118 -5.456 -10.286 1.089 1.00 0.00 C ATOM 468 CG LYS A 118 -5.801 -11.203 -0.072 1.00 0.00 C ATOM 469 CD LYS A 118 -7.272 -11.587 -0.061 1.00 0.00 C ATOM 470 CE LYS A 118 -8.167 -10.368 -0.218 1.00 0.00 C ATOM 471 NZ LYS A 118 -9.490 -10.722 -0.804 1.00 0.00 N ATOM 0 H LYS A 118 -4.670 -8.640 2.739 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.425 -9.856 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -5.172 -10.893 1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -6.346 -9.726 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -5.560 -10.707 -1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -5.189 -12.103 -0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -7.471 -12.292 -0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -7.509 -12.096 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -8.315 -9.898 0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -7.673 -9.634 -0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -10.058 -9.859 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -9.350 -11.178 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -9.988 -11.377 -0.167 1.00 0.00 H new ATOM 485 N ILE A 119 -5.266 -7.249 -0.099 1.00 0.00 N ATOM 486 CA ILE A 119 -5.699 -6.305 -1.123 1.00 0.00 C ATOM 487 C ILE A 119 -4.604 -6.056 -2.163 1.00 0.00 C ATOM 488 O ILE A 119 -4.897 -5.840 -3.339 1.00 0.00 O ATOM 489 CB ILE A 119 -6.130 -4.966 -0.479 1.00 0.00 C ATOM 490 CG1 ILE A 119 -7.472 -5.137 0.234 1.00 0.00 C ATOM 491 CG2 ILE A 119 -6.219 -3.854 -1.516 1.00 0.00 C ATOM 492 CD1 ILE A 119 -7.563 -4.384 1.543 1.00 0.00 C ATOM 0 H ILE A 119 -5.420 -6.928 0.857 1.00 0.00 H new ATOM 0 HA ILE A 119 -6.553 -6.749 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.371 -4.681 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -8.270 -4.799 -0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.642 -6.197 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -6.524 -2.927 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -5.245 -3.714 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -6.952 -4.123 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -8.542 -4.552 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.787 -4.739 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -7.426 -3.318 1.360 1.00 0.00 H new ATOM 504 N MET A 120 -3.348 -6.087 -1.730 1.00 0.00 N ATOM 505 CA MET A 120 -2.228 -5.861 -2.640 1.00 0.00 C ATOM 506 C MET A 120 -1.882 -7.133 -3.409 1.00 0.00 C ATOM 507 O MET A 120 -1.472 -7.076 -4.569 1.00 0.00 O ATOM 508 CB MET A 120 -1.000 -5.361 -1.872 1.00 0.00 C ATOM 509 CG MET A 120 -0.332 -6.425 -1.015 1.00 0.00 C ATOM 510 SD MET A 120 0.403 -5.753 0.491 1.00 0.00 S ATOM 511 CE MET A 120 -0.974 -4.829 1.169 1.00 0.00 C ATOM 0 H MET A 120 -3.080 -6.265 -0.762 1.00 0.00 H new ATOM 0 HA MET A 120 -2.530 -5.097 -3.356 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.272 -4.973 -2.584 1.00 0.00 H new ATOM 0 HB3 MET A 120 -1.297 -4.529 -1.234 1.00 0.00 H new ATOM 0 HG2 MET A 120 -1.068 -7.184 -0.747 1.00 0.00 H new ATOM 0 HG3 MET A 120 0.441 -6.923 -1.600 1.00 0.00 H new ATOM 0 HE1 MET A 120 -0.960 -4.901 2.257 1.00 0.00 H new ATOM 0 HE2 MET A 120 -0.891 -3.783 0.873 1.00 0.00 H new ATOM 0 HE3 MET A 120 -1.910 -5.240 0.790 1.00 0.00 H new ATOM 521 N LEU A 121 -2.047 -8.279 -2.757 1.00 0.00 N ATOM 522 CA LEU A 121 -1.750 -9.563 -3.382 1.00 0.00 C ATOM 523 C LEU A 121 -2.870 -9.984 -4.329 1.00 0.00 C ATOM 524 O LEU A 121 -2.634 -10.690 -5.308 1.00 0.00 O ATOM 525 CB LEU A 121 -1.534 -10.637 -2.314 1.00 0.00 C ATOM 526 CG LEU A 121 -0.080 -10.838 -1.886 1.00 0.00 C ATOM 527 CD1 LEU A 121 0.413 -9.639 -1.092 1.00 0.00 C ATOM 528 CD2 LEU A 121 0.065 -12.114 -1.072 1.00 0.00 C ATOM 0 H LEU A 121 -2.385 -8.345 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 121 -0.835 -9.451 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -2.123 -10.378 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -1.921 -11.584 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 121 0.533 -10.931 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 121 1.450 -9.800 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 121 0.347 -8.742 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.203 -9.514 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.106 -12.241 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -0.560 -12.050 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.247 -12.967 -1.674 1.00 0.00 H new ATOM 540 N GLN A 122 -4.089 -9.547 -4.031 1.00 0.00 N ATOM 541 CA GLN A 122 -5.244 -9.880 -4.859 1.00 0.00 C ATOM 542 C GLN A 122 -5.038 -9.414 -6.298 1.00 0.00 C ATOM 543 O GLN A 122 -5.610 -9.978 -7.231 1.00 0.00 O ATOM 544 CB GLN A 122 -6.512 -9.250 -4.278 1.00 0.00 C ATOM 545 CG GLN A 122 -7.530 -10.269 -3.793 1.00 0.00 C ATOM 546 CD GLN A 122 -8.707 -10.413 -4.738 1.00 0.00 C ATOM 547 OE1 GLN A 122 -8.885 -11.453 -5.372 1.00 0.00 O ATOM 548 NE2 GLN A 122 -9.518 -9.366 -4.837 1.00 0.00 N ATOM 0 H GLN A 122 -4.303 -8.962 -3.223 1.00 0.00 H new ATOM 0 HA GLN A 122 -5.356 -10.964 -4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -6.237 -8.600 -3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -6.975 -8.619 -5.037 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -7.042 -11.237 -3.676 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -7.893 -9.974 -2.809 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.332 -8.524 -4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -10.327 -9.404 -5.457 1.00 0.00 H new ATOM 557 N ALA A 123 -4.220 -8.380 -6.472 1.00 0.00 N ATOM 558 CA ALA A 123 -3.941 -7.839 -7.797 1.00 0.00 C ATOM 559 C ALA A 123 -3.075 -8.795 -8.611 1.00 0.00 C ATOM 560 O ALA A 123 -3.169 -8.840 -9.838 1.00 0.00 O ATOM 561 CB ALA A 123 -3.264 -6.482 -7.680 1.00 0.00 C ATOM 0 H ALA A 123 -3.739 -7.900 -5.711 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.890 -7.717 -8.319 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -3.061 -6.089 -8.676 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.918 -5.794 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -2.326 -6.589 -7.135 1.00 0.00 H new ATOM 567 N THR A 124 -2.231 -9.556 -7.922 1.00 0.00 N ATOM 568 CA THR A 124 -1.347 -10.509 -8.585 1.00 0.00 C ATOM 569 C THR A 124 -1.925 -11.919 -8.533 1.00 0.00 C ATOM 570 O THR A 124 -1.900 -12.648 -9.525 1.00 0.00 O ATOM 571 CB THR A 124 0.038 -10.489 -7.937 1.00 0.00 C ATOM 572 OG1 THR A 124 0.871 -11.485 -8.503 1.00 0.00 O ATOM 573 CG2 THR A 124 0.005 -10.715 -6.441 1.00 0.00 C ATOM 0 H THR A 124 -2.140 -9.532 -6.906 1.00 0.00 H new ATOM 0 HA THR A 124 -1.256 -10.213 -9.630 1.00 0.00 H new ATOM 0 HB THR A 124 0.430 -9.490 -8.128 1.00 0.00 H new ATOM 0 HG1 THR A 124 1.753 -11.455 -8.076 1.00 0.00 H new ATOM 0 HG21 THR A 124 1.021 -10.688 -6.047 1.00 0.00 H new ATOM 0 HG22 THR A 124 -0.589 -9.933 -5.968 1.00 0.00 H new ATOM 0 HG23 THR A 124 -0.441 -11.687 -6.230 1.00 0.00 H new ATOM 581 N GLY A 125 -2.445 -12.299 -7.371 1.00 0.00 N ATOM 582 CA GLY A 125 -3.022 -13.621 -7.213 1.00 0.00 C ATOM 583 C GLY A 125 -2.013 -14.726 -7.458 1.00 0.00 C ATOM 584 O GLY A 125 -2.371 -15.811 -7.916 1.00 0.00 O ATOM 0 H GLY A 125 -2.477 -11.715 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.427 -13.720 -6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.857 -13.735 -7.905 1.00 0.00 H new ATOM 588 N GLU A 126 -0.749 -14.450 -7.153 1.00 0.00 N ATOM 589 CA GLU A 126 0.315 -15.429 -7.343 1.00 0.00 C ATOM 590 C GLU A 126 0.409 -16.372 -6.148 1.00 0.00 C ATOM 591 O GLU A 126 -0.450 -16.362 -5.267 1.00 0.00 O ATOM 592 CB GLU A 126 1.655 -14.722 -7.559 1.00 0.00 C ATOM 593 CG GLU A 126 2.490 -15.329 -8.675 1.00 0.00 C ATOM 594 CD GLU A 126 3.137 -14.279 -9.556 1.00 0.00 C ATOM 595 OE1 GLU A 126 4.096 -13.625 -9.094 1.00 0.00 O ATOM 596 OE2 GLU A 126 2.686 -14.110 -10.708 1.00 0.00 O ATOM 0 H GLU A 126 -0.437 -13.556 -6.773 1.00 0.00 H new ATOM 0 HA GLU A 126 0.077 -16.019 -8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 126 1.470 -13.672 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.226 -14.753 -6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 126 3.265 -15.962 -8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 126 1.859 -15.973 -9.287 1.00 0.00 H new ATOM 603 N THR A 127 1.460 -17.186 -6.125 1.00 0.00 N ATOM 604 CA THR A 127 1.668 -18.137 -5.038 1.00 0.00 C ATOM 605 C THR A 127 1.950 -17.414 -3.724 1.00 0.00 C ATOM 606 O THR A 127 1.682 -17.943 -2.645 1.00 0.00 O ATOM 607 CB THR A 127 2.826 -19.079 -5.373 1.00 0.00 C ATOM 608 OG1 THR A 127 3.162 -19.877 -4.252 1.00 0.00 O ATOM 609 CG2 THR A 127 4.080 -18.354 -5.812 1.00 0.00 C ATOM 0 H THR A 127 2.181 -17.206 -6.846 1.00 0.00 H new ATOM 0 HA THR A 127 0.754 -18.720 -4.920 1.00 0.00 H new ATOM 0 HB THR A 127 2.471 -19.691 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 127 3.903 -20.474 -4.486 1.00 0.00 H new ATOM 0 HG21 THR A 127 4.862 -19.081 -6.034 1.00 0.00 H new ATOM 0 HG22 THR A 127 3.867 -17.766 -6.705 1.00 0.00 H new ATOM 0 HG23 THR A 127 4.416 -17.692 -5.014 1.00 0.00 H new ATOM 617 N ILE A 128 2.491 -16.203 -3.822 1.00 0.00 N ATOM 618 CA ILE A 128 2.809 -15.406 -2.640 1.00 0.00 C ATOM 619 C ILE A 128 1.617 -15.316 -1.691 1.00 0.00 C ATOM 620 O ILE A 128 1.784 -15.141 -0.484 1.00 0.00 O ATOM 621 CB ILE A 128 3.252 -13.982 -3.028 1.00 0.00 C ATOM 622 CG1 ILE A 128 2.221 -13.336 -3.955 1.00 0.00 C ATOM 623 CG2 ILE A 128 4.622 -14.016 -3.690 1.00 0.00 C ATOM 624 CD1 ILE A 128 2.601 -11.942 -4.405 1.00 0.00 C ATOM 0 H ILE A 128 2.719 -15.751 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 128 3.631 -15.911 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 128 3.322 -13.380 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.087 -13.968 -4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 128 1.260 -13.294 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 128 4.922 -13.003 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 128 5.350 -14.438 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 128 4.577 -14.631 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.824 -11.546 -5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 128 2.706 -11.295 -3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 128 3.547 -11.979 -4.946 1.00 0.00 H new ATOM 636 N THR A 129 0.414 -15.437 -2.244 1.00 0.00 N ATOM 637 CA THR A 129 -0.806 -15.370 -1.448 1.00 0.00 C ATOM 638 C THR A 129 -0.845 -16.488 -0.411 1.00 0.00 C ATOM 639 O THR A 129 -0.304 -17.572 -0.631 1.00 0.00 O ATOM 640 CB THR A 129 -2.035 -15.458 -2.353 1.00 0.00 C ATOM 641 OG1 THR A 129 -2.011 -16.650 -3.117 1.00 0.00 O ATOM 642 CG2 THR A 129 -2.154 -14.297 -3.318 1.00 0.00 C ATOM 0 H THR A 129 0.258 -15.582 -3.242 1.00 0.00 H new ATOM 0 HA THR A 129 -0.814 -14.414 -0.925 1.00 0.00 H new ATOM 0 HB THR A 129 -2.891 -15.438 -1.679 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.643 -16.462 -4.006 1.00 0.00 H new ATOM 0 HG21 THR A 129 -3.047 -14.422 -3.930 1.00 0.00 H new ATOM 0 HG22 THR A 129 -2.226 -13.364 -2.758 1.00 0.00 H new ATOM 0 HG23 THR A 129 -1.275 -14.267 -3.962 1.00 0.00 H new ATOM 650 N GLU A 130 -1.491 -16.217 0.719 1.00 0.00 N ATOM 651 CA GLU A 130 -1.605 -17.199 1.792 1.00 0.00 C ATOM 652 C GLU A 130 -0.228 -17.628 2.289 1.00 0.00 C ATOM 653 O GLU A 130 0.003 -18.803 2.576 1.00 0.00 O ATOM 654 CB GLU A 130 -2.391 -18.421 1.312 1.00 0.00 C ATOM 655 CG GLU A 130 -3.899 -18.245 1.393 1.00 0.00 C ATOM 656 CD GLU A 130 -4.528 -19.090 2.484 1.00 0.00 C ATOM 657 OE1 GLU A 130 -4.810 -20.279 2.226 1.00 0.00 O ATOM 658 OE2 GLU A 130 -4.739 -18.563 3.596 1.00 0.00 O ATOM 0 H GLU A 130 -1.944 -15.324 0.915 1.00 0.00 H new ATOM 0 HA GLU A 130 -2.140 -16.733 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -2.114 -18.639 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.102 -19.286 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.129 -17.195 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -4.344 -18.508 0.433 1.00 0.00 H new ATOM 665 N ASP A 131 0.682 -16.666 2.391 1.00 0.00 N ATOM 666 CA ASP A 131 2.038 -16.938 2.854 1.00 0.00 C ATOM 667 C ASP A 131 2.844 -15.647 2.941 1.00 0.00 C ATOM 668 O ASP A 131 3.317 -15.269 4.013 1.00 0.00 O ATOM 669 CB ASP A 131 2.733 -17.927 1.917 1.00 0.00 C ATOM 670 CG ASP A 131 3.913 -18.615 2.574 1.00 0.00 C ATOM 671 OD1 ASP A 131 4.758 -17.909 3.164 1.00 0.00 O ATOM 672 OD2 ASP A 131 3.992 -19.859 2.500 1.00 0.00 O ATOM 0 H ASP A 131 0.505 -15.689 2.159 1.00 0.00 H new ATOM 0 HA ASP A 131 1.977 -17.379 3.849 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.015 -18.678 1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.073 -17.400 1.025 1.00 0.00 H new ATOM 677 N ASP A 132 2.988 -14.973 1.806 1.00 0.00 N ATOM 678 CA ASP A 132 3.730 -13.719 1.751 1.00 0.00 C ATOM 679 C ASP A 132 3.014 -12.630 2.548 1.00 0.00 C ATOM 680 O ASP A 132 3.631 -11.657 2.980 1.00 0.00 O ATOM 681 CB ASP A 132 3.906 -13.274 0.298 1.00 0.00 C ATOM 682 CG ASP A 132 5.268 -12.658 0.043 1.00 0.00 C ATOM 683 OD1 ASP A 132 6.278 -13.247 0.483 1.00 0.00 O ATOM 684 OD2 ASP A 132 5.324 -11.587 -0.596 1.00 0.00 O ATOM 0 H ASP A 132 2.601 -15.274 0.912 1.00 0.00 H new ATOM 0 HA ASP A 132 4.712 -13.883 2.195 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.769 -14.131 -0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.130 -12.551 0.046 1.00 0.00 H new ATOM 689 N ILE A 133 1.709 -12.803 2.737 1.00 0.00 N ATOM 690 CA ILE A 133 0.907 -11.839 3.479 1.00 0.00 C ATOM 691 C ILE A 133 1.352 -11.752 4.936 1.00 0.00 C ATOM 692 O ILE A 133 1.362 -10.673 5.528 1.00 0.00 O ATOM 693 CB ILE A 133 -0.586 -12.206 3.427 1.00 0.00 C ATOM 694 CG1 ILE A 133 -1.011 -12.445 1.973 1.00 0.00 C ATOM 695 CG2 ILE A 133 -1.422 -11.109 4.075 1.00 0.00 C ATOM 696 CD1 ILE A 133 -2.481 -12.199 1.708 1.00 0.00 C ATOM 0 H ILE A 133 1.185 -13.604 2.385 1.00 0.00 H new ATOM 0 HA ILE A 133 1.055 -10.869 3.005 1.00 0.00 H new ATOM 0 HB ILE A 133 -0.752 -13.126 3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.423 -11.797 1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.771 -13.473 1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -2.477 -11.381 4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -1.121 -10.989 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -1.267 -10.171 3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -2.698 -12.390 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -3.079 -12.865 2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -2.725 -11.164 1.946 1.00 0.00 H new ATOM 708 N GLU A 134 1.716 -12.895 5.508 1.00 0.00 N ATOM 709 CA GLU A 134 2.158 -12.947 6.897 1.00 0.00 C ATOM 710 C GLU A 134 3.553 -12.348 7.051 1.00 0.00 C ATOM 711 O GLU A 134 3.883 -11.780 8.092 1.00 0.00 O ATOM 712 CB GLU A 134 2.149 -14.393 7.401 1.00 0.00 C ATOM 713 CG GLU A 134 1.267 -14.606 8.620 1.00 0.00 C ATOM 714 CD GLU A 134 2.068 -14.789 9.895 1.00 0.00 C ATOM 715 OE1 GLU A 134 2.491 -13.771 10.481 1.00 0.00 O ATOM 716 OE2 GLU A 134 2.272 -15.951 10.306 1.00 0.00 O ATOM 0 H GLU A 134 1.714 -13.797 5.032 1.00 0.00 H new ATOM 0 HA GLU A 134 1.465 -12.356 7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 134 1.809 -15.047 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 134 3.169 -14.691 7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 134 0.599 -13.752 8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.639 -15.483 8.461 1.00 0.00 H new ATOM 723 N GLU A 135 4.369 -12.480 6.011 1.00 0.00 N ATOM 724 CA GLU A 135 5.729 -11.953 6.035 1.00 0.00 C ATOM 725 C GLU A 135 5.757 -10.487 5.611 1.00 0.00 C ATOM 726 O GLU A 135 6.530 -9.692 6.145 1.00 0.00 O ATOM 727 CB GLU A 135 6.634 -12.778 5.118 1.00 0.00 C ATOM 728 CG GLU A 135 7.312 -13.942 5.822 1.00 0.00 C ATOM 729 CD GLU A 135 8.343 -13.488 6.837 1.00 0.00 C ATOM 730 OE1 GLU A 135 9.378 -12.927 6.422 1.00 0.00 O ATOM 731 OE2 GLU A 135 8.114 -13.694 8.048 1.00 0.00 O ATOM 0 H GLU A 135 4.113 -12.947 5.141 1.00 0.00 H new ATOM 0 HA GLU A 135 6.098 -12.022 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 135 6.043 -13.161 4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.397 -12.127 4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 135 6.557 -14.549 6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 135 7.793 -14.580 5.081 1.00 0.00 H new ATOM 738 N LEU A 136 4.911 -10.138 4.648 1.00 0.00 N ATOM 739 CA LEU A 136 4.841 -8.769 4.151 1.00 0.00 C ATOM 740 C LEU A 136 4.303 -7.824 5.223 1.00 0.00 C ATOM 741 O LEU A 136 4.892 -6.777 5.494 1.00 0.00 O ATOM 742 CB LEU A 136 3.959 -8.703 2.901 1.00 0.00 C ATOM 743 CG LEU A 136 3.681 -7.294 2.368 1.00 0.00 C ATOM 744 CD1 LEU A 136 4.951 -6.458 2.373 1.00 0.00 C ATOM 745 CD2 LEU A 136 3.092 -7.364 0.967 1.00 0.00 C ATOM 0 H LEU A 136 4.264 -10.784 4.196 1.00 0.00 H new ATOM 0 HA LEU A 136 5.851 -8.451 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.433 -9.285 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.006 -9.184 3.123 1.00 0.00 H new ATOM 0 HG LEU A 136 2.955 -6.814 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.732 -5.461 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 136 5.332 -6.381 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.701 -6.932 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 136 2.900 -6.355 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.796 -7.863 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 136 2.157 -7.924 0.993 1.00 0.00 H new ATOM 757 N MET A 137 3.181 -8.202 5.830 1.00 0.00 N ATOM 758 CA MET A 137 2.555 -7.393 6.876 1.00 0.00 C ATOM 759 C MET A 137 3.589 -6.893 7.882 1.00 0.00 C ATOM 760 O MET A 137 3.429 -5.824 8.471 1.00 0.00 O ATOM 761 CB MET A 137 1.478 -8.203 7.599 1.00 0.00 C ATOM 762 CG MET A 137 0.482 -7.346 8.363 1.00 0.00 C ATOM 763 SD MET A 137 0.872 -7.226 10.120 1.00 0.00 S ATOM 764 CE MET A 137 -0.374 -6.062 10.665 1.00 0.00 C ATOM 0 H MET A 137 2.684 -9.066 5.615 1.00 0.00 H new ATOM 0 HA MET A 137 2.096 -6.528 6.398 1.00 0.00 H new ATOM 0 HB2 MET A 137 0.940 -8.808 6.870 1.00 0.00 H new ATOM 0 HB3 MET A 137 1.959 -8.893 8.293 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.462 -6.346 7.930 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.517 -7.764 8.244 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.100 -5.668 11.644 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.444 -5.242 9.950 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.338 -6.566 10.734 1.00 0.00 H new ATOM 774 N LYS A 138 4.650 -7.672 8.071 1.00 0.00 N ATOM 775 CA LYS A 138 5.711 -7.306 9.004 1.00 0.00 C ATOM 776 C LYS A 138 6.267 -5.923 8.678 1.00 0.00 C ATOM 777 O LYS A 138 6.714 -5.197 9.567 1.00 0.00 O ATOM 778 CB LYS A 138 6.835 -8.343 8.962 1.00 0.00 C ATOM 779 CG LYS A 138 7.534 -8.536 10.298 1.00 0.00 C ATOM 780 CD LYS A 138 8.819 -9.334 10.144 1.00 0.00 C ATOM 781 CE LYS A 138 9.403 -9.715 11.495 1.00 0.00 C ATOM 782 NZ LYS A 138 9.000 -11.088 11.906 1.00 0.00 N ATOM 0 H LYS A 138 4.798 -8.560 7.591 1.00 0.00 H new ATOM 0 HA LYS A 138 5.287 -7.281 10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 138 6.425 -9.298 8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 138 7.570 -8.040 8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 138 7.759 -7.564 10.736 1.00 0.00 H new ATOM 0 HG3 LYS A 138 6.866 -9.050 10.989 1.00 0.00 H new ATOM 0 HD2 LYS A 138 8.621 -10.236 9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.548 -8.748 9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.490 -9.654 11.451 1.00 0.00 H new ATOM 0 HE3 LYS A 138 9.074 -8.999 12.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 9.418 -11.310 12.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 7.963 -11.140 11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 9.336 -11.774 11.201 1.00 0.00 H new ATOM 796 N ASP A 139 6.232 -5.564 7.399 1.00 0.00 N ATOM 797 CA ASP A 139 6.729 -4.267 6.955 1.00 0.00 C ATOM 798 C ASP A 139 5.852 -3.140 7.489 1.00 0.00 C ATOM 799 O ASP A 139 6.343 -2.199 8.111 1.00 0.00 O ATOM 800 CB ASP A 139 6.775 -4.212 5.427 1.00 0.00 C ATOM 801 CG ASP A 139 7.672 -3.102 4.916 1.00 0.00 C ATOM 802 OD1 ASP A 139 7.419 -1.928 5.259 1.00 0.00 O ATOM 803 OD2 ASP A 139 8.629 -3.406 4.173 1.00 0.00 O ATOM 0 H ASP A 139 5.865 -6.153 6.652 1.00 0.00 H new ATOM 0 HA ASP A 139 7.738 -4.137 7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 139 7.129 -5.168 5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 139 5.766 -4.067 5.041 1.00 0.00 H new ATOM 808 N GLY A 140 4.549 -3.244 7.243 1.00 0.00 N ATOM 809 CA GLY A 140 3.624 -2.228 7.709 1.00 0.00 C ATOM 810 C GLY A 140 3.656 -2.066 9.215 1.00 0.00 C ATOM 811 O GLY A 140 4.091 -1.034 9.727 1.00 0.00 O ATOM 0 H GLY A 140 4.118 -4.013 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.867 -1.275 7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 140 2.613 -2.489 7.396 1.00 0.00 H new ATOM 815 N ASP A 141 3.195 -3.088 9.927 1.00 0.00 N ATOM 816 CA ASP A 141 3.171 -3.056 11.383 1.00 0.00 C ATOM 817 C ASP A 141 4.569 -3.271 11.954 1.00 0.00 C ATOM 818 O ASP A 141 4.880 -4.341 12.478 1.00 0.00 O ATOM 819 CB ASP A 141 2.213 -4.122 11.920 1.00 0.00 C ATOM 820 CG ASP A 141 2.121 -4.107 13.434 1.00 0.00 C ATOM 821 OD1 ASP A 141 2.432 -3.059 14.038 1.00 0.00 O ATOM 822 OD2 ASP A 141 1.736 -5.144 14.015 1.00 0.00 O ATOM 0 H ASP A 141 2.833 -3.949 9.518 1.00 0.00 H new ATOM 0 HA ASP A 141 2.820 -2.073 11.697 1.00 0.00 H new ATOM 0 HB2 ASP A 141 1.221 -3.962 11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 141 2.546 -5.106 11.589 1.00 0.00 H new ATOM 827 N LYS A 142 5.409 -2.246 11.849 1.00 0.00 N ATOM 828 CA LYS A 142 6.774 -2.320 12.355 1.00 0.00 C ATOM 829 C LYS A 142 6.884 -1.655 13.724 1.00 0.00 C ATOM 830 O LYS A 142 7.931 -1.116 14.081 1.00 0.00 O ATOM 831 CB LYS A 142 7.741 -1.658 11.369 1.00 0.00 C ATOM 832 CG LYS A 142 8.887 -2.562 10.940 1.00 0.00 C ATOM 833 CD LYS A 142 9.002 -2.641 9.426 1.00 0.00 C ATOM 834 CE LYS A 142 10.454 -2.638 8.975 1.00 0.00 C ATOM 835 NZ LYS A 142 10.659 -1.796 7.765 1.00 0.00 N ATOM 0 H LYS A 142 5.167 -1.354 11.418 1.00 0.00 H new ATOM 0 HA LYS A 142 7.041 -3.371 12.462 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.187 -1.344 10.485 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.151 -0.757 11.825 1.00 0.00 H new ATOM 0 HG2 LYS A 142 9.822 -2.188 11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.734 -3.562 11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 142 8.512 -3.547 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 142 8.479 -1.797 8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.084 -2.270 9.784 1.00 0.00 H new ATOM 0 HE3 LYS A 142 10.770 -3.659 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.662 -1.821 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 10.077 -2.162 6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.382 -0.816 7.973 1.00 0.00 H new ATOM 849 N ASN A 143 5.794 -1.697 14.485 1.00 0.00 N ATOM 850 CA ASN A 143 5.766 -1.098 15.815 1.00 0.00 C ATOM 851 C ASN A 143 5.655 -2.165 16.903 1.00 0.00 C ATOM 852 O ASN A 143 5.825 -1.874 18.087 1.00 0.00 O ATOM 853 CB ASN A 143 4.598 -0.117 15.928 1.00 0.00 C ATOM 854 CG ASN A 143 4.993 1.299 15.556 1.00 0.00 C ATOM 855 OD1 ASN A 143 5.995 1.824 16.041 1.00 0.00 O ATOM 856 ND2 ASN A 143 4.205 1.925 14.690 1.00 0.00 N ATOM 0 H ASN A 143 4.919 -2.139 14.203 1.00 0.00 H new ATOM 0 HA ASN A 143 6.704 -0.561 15.959 1.00 0.00 H new ATOM 0 HB2 ASN A 143 3.786 -0.447 15.280 1.00 0.00 H new ATOM 0 HB3 ASN A 143 4.215 -0.128 16.949 1.00 0.00 H new ATOM 0 HD21 ASN A 143 4.421 2.879 14.402 1.00 0.00 H new ATOM 0 HD22 ASN A 143 3.384 1.451 14.313 1.00 0.00 H new ATOM 863 N ASN A 144 5.369 -3.402 16.499 1.00 0.00 N ATOM 864 CA ASN A 144 5.236 -4.505 17.446 1.00 0.00 C ATOM 865 C ASN A 144 4.003 -4.318 18.326 1.00 0.00 C ATOM 866 O ASN A 144 4.058 -4.511 19.541 1.00 0.00 O ATOM 867 CB ASN A 144 6.491 -4.619 18.316 1.00 0.00 C ATOM 868 CG ASN A 144 6.981 -6.048 18.440 1.00 0.00 C ATOM 869 OD1 ASN A 144 6.834 -6.678 19.487 1.00 0.00 O ATOM 870 ND2 ASN A 144 7.567 -6.568 17.368 1.00 0.00 N ATOM 0 H ASN A 144 5.225 -3.664 15.524 1.00 0.00 H new ATOM 0 HA ASN A 144 5.118 -5.427 16.877 1.00 0.00 H new ATOM 0 HB2 ASN A 144 7.282 -4.002 17.890 1.00 0.00 H new ATOM 0 HB3 ASN A 144 6.278 -4.223 19.309 1.00 0.00 H new ATOM 0 HD21 ASN A 144 7.916 -7.526 17.392 1.00 0.00 H new ATOM 0 HD22 ASN A 144 7.668 -6.009 16.520 1.00 0.00 H new ATOM 877 N ASP A 145 2.891 -3.941 17.703 1.00 0.00 N ATOM 878 CA ASP A 145 1.643 -3.726 18.426 1.00 0.00 C ATOM 879 C ASP A 145 0.580 -4.731 17.991 1.00 0.00 C ATOM 880 O ASP A 145 -0.251 -5.156 18.794 1.00 0.00 O ATOM 881 CB ASP A 145 1.137 -2.301 18.199 1.00 0.00 C ATOM 882 CG ASP A 145 1.085 -1.934 16.728 1.00 0.00 C ATOM 883 OD1 ASP A 145 2.158 -1.683 16.141 1.00 0.00 O ATOM 884 OD2 ASP A 145 -0.029 -1.897 16.165 1.00 0.00 O ATOM 0 H ASP A 145 2.829 -3.778 16.698 1.00 0.00 H new ATOM 0 HA ASP A 145 1.839 -3.870 19.488 1.00 0.00 H new ATOM 0 HB2 ASP A 145 0.142 -2.198 18.632 1.00 0.00 H new ATOM 0 HB3 ASP A 145 1.786 -1.600 18.723 1.00 0.00 H new ATOM 889 N GLY A 146 0.613 -5.108 16.717 1.00 0.00 N ATOM 890 CA GLY A 146 -0.352 -6.062 16.199 1.00 0.00 C ATOM 891 C GLY A 146 -1.263 -5.460 15.144 1.00 0.00 C ATOM 892 O GLY A 146 -2.345 -5.984 14.880 1.00 0.00 O ATOM 0 H GLY A 146 1.291 -4.770 16.033 1.00 0.00 H new ATOM 0 HA2 GLY A 146 0.178 -6.913 15.772 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -0.957 -6.443 17.021 1.00 0.00 H new ATOM 896 N ARG A 147 -0.825 -4.359 14.539 1.00 0.00 N ATOM 897 CA ARG A 147 -1.611 -3.691 13.508 1.00 0.00 C ATOM 898 C ARG A 147 -0.865 -2.480 12.955 1.00 0.00 C ATOM 899 O ARG A 147 -0.005 -1.910 13.626 1.00 0.00 O ATOM 900 CB ARG A 147 -2.966 -3.255 14.070 1.00 0.00 C ATOM 901 CG ARG A 147 -2.861 -2.447 15.353 1.00 0.00 C ATOM 902 CD ARG A 147 -4.196 -2.371 16.075 1.00 0.00 C ATOM 903 NE ARG A 147 -4.040 -2.445 17.526 1.00 0.00 N ATOM 904 CZ ARG A 147 -3.841 -3.578 18.194 1.00 0.00 C ATOM 905 NH1 ARG A 147 -3.773 -4.735 17.546 1.00 0.00 N ATOM 906 NH2 ARG A 147 -3.710 -3.556 19.513 1.00 0.00 N ATOM 0 H ARG A 147 0.068 -3.912 14.745 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.774 -4.399 12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -3.488 -2.662 13.319 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -3.574 -4.140 14.257 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -2.117 -2.899 16.009 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -2.513 -1.440 15.122 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -4.698 -1.440 15.812 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -4.837 -3.185 15.738 1.00 0.00 H new ATOM 0 HE ARG A 147 -4.086 -1.576 18.058 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -3.873 -4.758 16.531 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.620 -5.601 18.063 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -3.762 -2.670 20.016 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -3.557 -4.425 20.025 1.00 0.00 H new ATOM 920 N ILE A 148 -1.201 -2.092 11.729 1.00 0.00 N ATOM 921 CA ILE A 148 -0.563 -0.949 11.088 1.00 0.00 C ATOM 922 C ILE A 148 -1.578 0.163 10.833 1.00 0.00 C ATOM 923 O ILE A 148 -2.665 -0.088 10.319 1.00 0.00 O ATOM 924 CB ILE A 148 0.120 -1.364 9.764 1.00 0.00 C ATOM 925 CG1 ILE A 148 1.213 -0.364 9.390 1.00 0.00 C ATOM 926 CG2 ILE A 148 -0.887 -1.498 8.633 1.00 0.00 C ATOM 927 CD1 ILE A 148 0.688 1.025 9.110 1.00 0.00 C ATOM 0 H ILE A 148 -1.911 -2.553 11.160 1.00 0.00 H new ATOM 0 HA ILE A 148 0.204 -0.573 11.765 1.00 0.00 H new ATOM 0 HB ILE A 148 0.575 -2.342 9.919 1.00 0.00 H new ATOM 0 HG12 ILE A 148 1.940 -0.313 10.200 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.742 -0.728 8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -0.371 -1.791 7.719 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -1.626 -2.257 8.891 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -1.388 -0.543 8.477 1.00 0.00 H new ATOM 0 HD11 ILE A 148 1.518 1.682 8.851 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -0.017 0.987 8.280 1.00 0.00 H new ATOM 0 HD13 ILE A 148 0.184 1.409 9.997 1.00 0.00 H new ATOM 939 N ASP A 149 -1.221 1.390 11.209 1.00 0.00 N ATOM 940 CA ASP A 149 -2.115 2.532 11.033 1.00 0.00 C ATOM 941 C ASP A 149 -1.539 3.555 10.058 1.00 0.00 C ATOM 942 O ASP A 149 -0.396 3.441 9.620 1.00 0.00 O ATOM 943 CB ASP A 149 -2.386 3.200 12.382 1.00 0.00 C ATOM 944 CG ASP A 149 -1.129 3.773 13.008 1.00 0.00 C ATOM 945 OD1 ASP A 149 -0.619 4.789 12.491 1.00 0.00 O ATOM 946 OD2 ASP A 149 -0.655 3.206 14.015 1.00 0.00 O ATOM 0 H ASP A 149 -0.323 1.618 11.636 1.00 0.00 H new ATOM 0 HA ASP A 149 -3.049 2.158 10.615 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -3.118 3.997 12.249 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -2.828 2.472 13.062 1.00 0.00 H new ATOM 951 N TYR A 150 -2.349 4.557 9.723 1.00 0.00 N ATOM 952 CA TYR A 150 -1.939 5.611 8.799 1.00 0.00 C ATOM 953 C TYR A 150 -0.627 6.255 9.241 1.00 0.00 C ATOM 954 O TYR A 150 -0.622 7.247 9.970 1.00 0.00 O ATOM 955 CB TYR A 150 -3.037 6.672 8.694 1.00 0.00 C ATOM 956 CG TYR A 150 -2.807 7.697 7.602 1.00 0.00 C ATOM 957 CD1 TYR A 150 -2.177 7.352 6.411 1.00 0.00 C ATOM 958 CD2 TYR A 150 -3.225 9.011 7.765 1.00 0.00 C ATOM 959 CE1 TYR A 150 -1.971 8.290 5.416 1.00 0.00 C ATOM 960 CE2 TYR A 150 -3.023 9.954 6.774 1.00 0.00 C ATOM 961 CZ TYR A 150 -2.396 9.588 5.603 1.00 0.00 C ATOM 962 OH TYR A 150 -2.193 10.523 4.614 1.00 0.00 O ATOM 0 H TYR A 150 -3.299 4.661 10.080 1.00 0.00 H new ATOM 0 HA TYR A 150 -1.780 5.160 7.820 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -3.991 6.175 8.516 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -3.120 7.189 9.650 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -1.844 6.336 6.261 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -3.716 9.302 8.682 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -1.480 8.007 4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -3.355 10.972 6.917 1.00 0.00 H new ATOM 0 HH TYR A 150 -2.552 11.388 4.903 1.00 0.00 H new ATOM 972 N ASP A 151 0.483 5.678 8.792 1.00 0.00 N ATOM 973 CA ASP A 151 1.812 6.178 9.129 1.00 0.00 C ATOM 974 C ASP A 151 2.881 5.277 8.526 1.00 0.00 C ATOM 975 O ASP A 151 3.615 5.686 7.626 1.00 0.00 O ATOM 976 CB ASP A 151 1.988 6.259 10.648 1.00 0.00 C ATOM 977 CG ASP A 151 2.713 7.519 11.080 1.00 0.00 C ATOM 978 OD1 ASP A 151 2.511 8.570 10.437 1.00 0.00 O ATOM 979 OD2 ASP A 151 3.482 7.454 12.062 1.00 0.00 O ATOM 0 H ASP A 151 0.488 4.856 8.188 1.00 0.00 H new ATOM 0 HA ASP A 151 1.918 7.180 8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 151 1.009 6.224 11.127 1.00 0.00 H new ATOM 0 HB3 ASP A 151 2.543 5.387 10.994 1.00 0.00 H new ATOM 984 N GLU A 152 2.952 4.043 9.013 1.00 0.00 N ATOM 985 CA GLU A 152 3.920 3.083 8.500 1.00 0.00 C ATOM 986 C GLU A 152 3.536 2.657 7.086 1.00 0.00 C ATOM 987 O GLU A 152 4.376 2.204 6.310 1.00 0.00 O ATOM 988 CB GLU A 152 4.006 1.859 9.415 1.00 0.00 C ATOM 989 CG GLU A 152 4.130 2.208 10.890 1.00 0.00 C ATOM 990 CD GLU A 152 3.438 1.200 11.787 1.00 0.00 C ATOM 991 OE1 GLU A 152 2.237 1.387 12.074 1.00 0.00 O ATOM 992 OE2 GLU A 152 4.098 0.224 12.203 1.00 0.00 O ATOM 0 H GLU A 152 2.354 3.686 9.758 1.00 0.00 H new ATOM 0 HA GLU A 152 4.899 3.561 8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 152 3.118 1.244 9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 152 4.864 1.255 9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 152 5.185 2.264 11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 152 3.704 3.196 11.063 1.00 0.00 H new ATOM 999 N PHE A 153 2.256 2.820 6.757 1.00 0.00 N ATOM 1000 CA PHE A 153 1.749 2.472 5.437 1.00 0.00 C ATOM 1001 C PHE A 153 2.422 3.331 4.371 1.00 0.00 C ATOM 1002 O PHE A 153 2.558 2.921 3.219 1.00 0.00 O ATOM 1003 CB PHE A 153 0.224 2.657 5.401 1.00 0.00 C ATOM 1004 CG PHE A 153 -0.331 2.992 4.043 1.00 0.00 C ATOM 1005 CD1 PHE A 153 -0.049 2.193 2.950 1.00 0.00 C ATOM 1006 CD2 PHE A 153 -1.136 4.106 3.865 1.00 0.00 C ATOM 1007 CE1 PHE A 153 -0.558 2.496 1.702 1.00 0.00 C ATOM 1008 CE2 PHE A 153 -1.648 4.415 2.619 1.00 0.00 C ATOM 1009 CZ PHE A 153 -1.358 3.609 1.536 1.00 0.00 C ATOM 0 H PHE A 153 1.550 3.193 7.392 1.00 0.00 H new ATOM 0 HA PHE A 153 1.979 1.427 5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.249 1.742 5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 153 -0.050 3.450 6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 153 0.577 1.322 3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -1.366 4.739 4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -0.330 1.863 0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -2.274 5.286 2.493 1.00 0.00 H new ATOM 0 HZ PHE A 153 -1.756 3.849 0.561 1.00 0.00 H new ATOM 1019 N LEU A 154 2.841 4.527 4.766 1.00 0.00 N ATOM 1020 CA LEU A 154 3.499 5.445 3.851 1.00 0.00 C ATOM 1021 C LEU A 154 4.871 4.915 3.447 1.00 0.00 C ATOM 1022 O LEU A 154 5.377 5.230 2.370 1.00 0.00 O ATOM 1023 CB LEU A 154 3.621 6.829 4.494 1.00 0.00 C ATOM 1024 CG LEU A 154 2.353 7.334 5.194 1.00 0.00 C ATOM 1025 CD1 LEU A 154 2.420 8.841 5.401 1.00 0.00 C ATOM 1026 CD2 LEU A 154 1.106 6.963 4.399 1.00 0.00 C ATOM 0 H LEU A 154 2.735 4.882 5.716 1.00 0.00 H new ATOM 0 HA LEU A 154 2.894 5.531 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 154 4.433 6.805 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.903 7.547 3.724 1.00 0.00 H new ATOM 0 HG LEU A 154 2.292 6.851 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 154 1.512 9.181 5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 154 3.285 9.085 6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 154 2.511 9.337 4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.221 7.333 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.160 7.412 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 154 1.044 5.879 4.304 1.00 0.00 H new ATOM 1038 N GLU A 155 5.462 4.092 4.310 1.00 0.00 N ATOM 1039 CA GLU A 155 6.765 3.503 4.030 1.00 0.00 C ATOM 1040 C GLU A 155 6.652 2.480 2.902 1.00 0.00 C ATOM 1041 O GLU A 155 7.620 2.215 2.189 1.00 0.00 O ATOM 1042 CB GLU A 155 7.334 2.840 5.288 1.00 0.00 C ATOM 1043 CG GLU A 155 8.379 3.683 5.999 1.00 0.00 C ATOM 1044 CD GLU A 155 7.764 4.754 6.879 1.00 0.00 C ATOM 1045 OE1 GLU A 155 6.604 4.577 7.307 1.00 0.00 O ATOM 1046 OE2 GLU A 155 8.443 5.769 7.142 1.00 0.00 O ATOM 0 H GLU A 155 5.059 3.820 5.206 1.00 0.00 H new ATOM 0 HA GLU A 155 7.443 4.297 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 155 6.518 2.629 5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 155 7.776 1.882 5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 155 9.010 3.036 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 155 9.026 4.154 5.259 1.00 0.00 H new ATOM 1053 N PHE A 156 5.457 1.915 2.743 1.00 0.00 N ATOM 1054 CA PHE A 156 5.202 0.928 1.699 1.00 0.00 C ATOM 1055 C PHE A 156 5.514 1.510 0.324 1.00 0.00 C ATOM 1056 O PHE A 156 6.395 1.023 -0.385 1.00 0.00 O ATOM 1057 CB PHE A 156 3.739 0.476 1.753 1.00 0.00 C ATOM 1058 CG PHE A 156 3.562 -1.005 1.925 1.00 0.00 C ATOM 1059 CD1 PHE A 156 3.482 -1.839 0.822 1.00 0.00 C ATOM 1060 CD2 PHE A 156 3.467 -1.562 3.191 1.00 0.00 C ATOM 1061 CE1 PHE A 156 3.313 -3.202 0.978 1.00 0.00 C ATOM 1062 CE2 PHE A 156 3.297 -2.923 3.353 1.00 0.00 C ATOM 1063 CZ PHE A 156 3.220 -3.744 2.245 1.00 0.00 C ATOM 0 H PHE A 156 4.648 2.126 3.327 1.00 0.00 H new ATOM 0 HA PHE A 156 5.850 0.068 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 156 3.241 0.989 2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 156 3.240 0.787 0.835 1.00 0.00 H new ATOM 0 HD1 PHE A 156 3.552 -1.420 -0.171 1.00 0.00 H new ATOM 0 HD2 PHE A 156 3.527 -0.924 4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 156 3.254 -3.842 0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 156 3.224 -3.345 4.345 1.00 0.00 H new ATOM 0 HZ PHE A 156 3.087 -4.809 2.369 1.00 0.00 H new ATOM 1073 N MET A 157 4.782 2.557 -0.042 1.00 0.00 N ATOM 1074 CA MET A 157 4.973 3.214 -1.329 1.00 0.00 C ATOM 1075 C MET A 157 6.371 3.821 -1.433 1.00 0.00 C ATOM 1076 O MET A 157 6.912 3.971 -2.528 1.00 0.00 O ATOM 1077 CB MET A 157 3.904 4.294 -1.534 1.00 0.00 C ATOM 1078 CG MET A 157 4.218 5.618 -0.851 1.00 0.00 C ATOM 1079 SD MET A 157 4.770 6.885 -2.011 1.00 0.00 S ATOM 1080 CE MET A 157 3.291 7.104 -2.998 1.00 0.00 C ATOM 0 H MET A 157 4.050 2.969 0.536 1.00 0.00 H new ATOM 0 HA MET A 157 4.873 2.464 -2.114 1.00 0.00 H new ATOM 0 HB2 MET A 157 3.780 4.469 -2.603 1.00 0.00 H new ATOM 0 HB3 MET A 157 2.950 3.922 -1.160 1.00 0.00 H new ATOM 0 HG2 MET A 157 3.330 5.972 -0.328 1.00 0.00 H new ATOM 0 HG3 MET A 157 4.990 5.460 -0.098 1.00 0.00 H new ATOM 0 HE1 MET A 157 3.455 7.896 -3.728 1.00 0.00 H new ATOM 0 HE2 MET A 157 3.059 6.174 -3.517 1.00 0.00 H new ATOM 0 HE3 MET A 157 2.458 7.375 -2.350 1.00 0.00 H new ATOM 1090 N LYS A 158 6.950 4.170 -0.286 1.00 0.00 N ATOM 1091 CA LYS A 158 8.285 4.762 -0.250 1.00 0.00 C ATOM 1092 C LYS A 158 9.266 3.942 -1.083 1.00 0.00 C ATOM 1093 O LYS A 158 10.132 4.494 -1.762 1.00 0.00 O ATOM 1094 CB LYS A 158 8.781 4.868 1.195 1.00 0.00 C ATOM 1095 CG LYS A 158 8.933 6.301 1.681 1.00 0.00 C ATOM 1096 CD LYS A 158 10.158 6.462 2.567 1.00 0.00 C ATOM 1097 CE LYS A 158 10.717 7.874 2.490 1.00 0.00 C ATOM 1098 NZ LYS A 158 12.206 7.882 2.477 1.00 0.00 N ATOM 0 H LYS A 158 6.516 4.053 0.630 1.00 0.00 H new ATOM 0 HA LYS A 158 8.224 5.763 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 158 8.085 4.343 1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 158 9.742 4.360 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 158 9.012 6.970 0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 158 8.041 6.595 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 158 9.896 6.229 3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 158 10.924 5.749 2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 158 10.344 8.364 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 158 10.358 8.453 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 12.547 8.863 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 12.563 7.438 3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 12.549 7.351 1.651 1.00 0.00 H new ATOM 1112 N GLY A 159 9.120 2.622 -1.030 1.00 0.00 N ATOM 1113 CA GLY A 159 9.995 1.750 -1.790 1.00 0.00 C ATOM 1114 C GLY A 159 9.905 2.008 -3.281 1.00 0.00 C ATOM 1115 O GLY A 159 10.860 1.765 -4.019 1.00 0.00 O ATOM 0 H GLY A 159 8.412 2.141 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 159 11.024 1.893 -1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 159 9.736 0.711 -1.586 1.00 0.00 H new ATOM 1119 N VAL A 160 8.753 2.505 -3.722 1.00 0.00 N ATOM 1120 CA VAL A 160 8.533 2.802 -5.131 1.00 0.00 C ATOM 1121 C VAL A 160 9.589 3.768 -5.660 1.00 0.00 C ATOM 1122 O VAL A 160 9.937 3.736 -6.841 1.00 0.00 O ATOM 1123 CB VAL A 160 7.133 3.405 -5.357 1.00 0.00 C ATOM 1124 CG1 VAL A 160 6.878 3.627 -6.838 1.00 0.00 C ATOM 1125 CG2 VAL A 160 6.059 2.512 -4.752 1.00 0.00 C ATOM 0 H VAL A 160 7.956 2.711 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 160 8.608 1.860 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 160 7.092 4.372 -4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 160 5.884 4.053 -6.976 1.00 0.00 H new ATOM 0 HG12 VAL A 160 7.626 4.312 -7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 160 6.941 2.675 -7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 160 5.078 2.956 -4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 160 6.098 1.528 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.230 2.412 -3.680 1.00 0.00 H new ATOM 1135 N GLU A 161 10.095 4.625 -4.779 1.00 0.00 N ATOM 1136 CA GLU A 161 11.112 5.600 -5.159 1.00 0.00 C ATOM 1137 C GLU A 161 12.494 4.955 -5.204 1.00 0.00 C ATOM 1138 O GLU A 161 13.032 4.788 -6.319 1.00 0.00 O ATOM 1139 CB GLU A 161 11.114 6.774 -4.177 1.00 0.00 C ATOM 1140 CG GLU A 161 10.361 7.993 -4.685 1.00 0.00 C ATOM 1141 CD GLU A 161 8.980 8.121 -4.073 1.00 0.00 C ATOM 1142 OE1 GLU A 161 8.265 7.100 -4.002 1.00 0.00 O ATOM 1143 OE2 GLU A 161 8.613 9.243 -3.664 1.00 0.00 O ATOM 1144 OXT GLU A 161 13.027 4.623 -4.124 1.00 0.00 O ATOM 0 H GLU A 161 9.818 4.664 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 161 10.872 5.970 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 161 10.671 6.450 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 161 12.145 7.057 -3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 161 10.938 8.891 -4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 161 10.270 7.933 -5.770 1.00 0.00 H new ATOM 1226 N PHE B 132 5.714 -5.934 -6.881 1.00 0.00 N ATOM 1227 CA PHE B 132 4.740 -6.474 -7.820 1.00 0.00 C ATOM 1228 C PHE B 132 3.468 -5.639 -7.825 1.00 0.00 C ATOM 1229 O PHE B 132 2.609 -5.799 -6.959 1.00 0.00 O ATOM 1230 CB PHE B 132 4.406 -7.922 -7.461 1.00 0.00 C ATOM 1231 CG PHE B 132 3.868 -8.086 -6.065 1.00 0.00 C ATOM 1232 CD1 PHE B 132 4.717 -8.041 -4.971 1.00 0.00 C ATOM 1233 CD2 PHE B 132 2.514 -8.287 -5.846 1.00 0.00 C ATOM 1234 CE1 PHE B 132 4.228 -8.194 -3.688 1.00 0.00 C ATOM 1235 CE2 PHE B 132 2.019 -8.440 -4.565 1.00 0.00 C ATOM 1236 CZ PHE B 132 2.877 -8.394 -3.485 1.00 0.00 C ATOM 0 HA PHE B 132 5.179 -6.442 -8.817 1.00 0.00 H new ATOM 0 HB2 PHE B 132 3.673 -8.304 -8.171 1.00 0.00 H new ATOM 0 HB3 PHE B 132 5.303 -8.531 -7.570 1.00 0.00 H new ATOM 0 HD1 PHE B 132 5.775 -7.884 -5.123 1.00 0.00 H new ATOM 0 HD2 PHE B 132 1.838 -8.324 -6.687 1.00 0.00 H new ATOM 0 HE1 PHE B 132 4.902 -8.157 -2.845 1.00 0.00 H new ATOM 0 HE2 PHE B 132 0.962 -8.595 -4.409 1.00 0.00 H new ATOM 0 HZ PHE B 132 2.492 -8.514 -2.483 1.00 0.00 H new ATOM 1246 N ASP B 133 3.351 -4.741 -8.800 1.00 0.00 N ATOM 1247 CA ASP B 133 2.179 -3.873 -8.907 1.00 0.00 C ATOM 1248 C ASP B 133 2.193 -2.825 -7.798 1.00 0.00 C ATOM 1249 O ASP B 133 2.108 -1.625 -8.061 1.00 0.00 O ATOM 1250 CB ASP B 133 0.888 -4.696 -8.841 1.00 0.00 C ATOM 1251 CG ASP B 133 0.046 -4.552 -10.093 1.00 0.00 C ATOM 1252 OD1 ASP B 133 0.060 -3.458 -10.696 1.00 0.00 O ATOM 1253 OD2 ASP B 133 -0.627 -5.534 -10.472 1.00 0.00 O ATOM 0 H ASP B 133 4.052 -4.595 -9.527 1.00 0.00 H new ATOM 0 HA ASP B 133 2.215 -3.366 -9.871 1.00 0.00 H new ATOM 0 HB2 ASP B 133 1.137 -5.747 -8.693 1.00 0.00 H new ATOM 0 HB3 ASP B 133 0.304 -4.382 -7.976 1.00 0.00 H new ATOM 1258 N LEU B 134 2.312 -3.293 -6.557 1.00 0.00 N ATOM 1259 CA LEU B 134 2.354 -2.416 -5.392 1.00 0.00 C ATOM 1260 C LEU B 134 3.256 -1.214 -5.648 1.00 0.00 C ATOM 1261 O LEU B 134 2.961 -0.098 -5.223 1.00 0.00 O ATOM 1262 CB LEU B 134 2.869 -3.193 -4.178 1.00 0.00 C ATOM 1263 CG LEU B 134 1.867 -4.166 -3.551 1.00 0.00 C ATOM 1264 CD1 LEU B 134 1.741 -5.426 -4.395 1.00 0.00 C ATOM 1265 CD2 LEU B 134 2.285 -4.521 -2.132 1.00 0.00 C ATOM 0 H LEU B 134 2.382 -4.286 -6.333 1.00 0.00 H new ATOM 0 HA LEU B 134 1.344 -2.056 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU B 134 3.756 -3.752 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU B 134 3.182 -2.479 -3.416 1.00 0.00 H new ATOM 0 HG LEU B 134 0.894 -3.676 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU B 134 1.024 -6.104 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU B 134 1.396 -5.161 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU B 134 2.712 -5.916 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU B 134 1.561 -5.213 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU B 134 3.269 -4.989 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU B 134 2.324 -3.615 -1.527 1.00 0.00 H new ATOM 1277 N ARG B 135 4.357 -1.456 -6.350 1.00 0.00 N ATOM 1278 CA ARG B 135 5.307 -0.399 -6.670 1.00 0.00 C ATOM 1279 C ARG B 135 4.797 0.459 -7.824 1.00 0.00 C ATOM 1280 O ARG B 135 4.720 1.682 -7.714 1.00 0.00 O ATOM 1281 CB ARG B 135 6.669 -1.001 -7.027 1.00 0.00 C ATOM 1282 CG ARG B 135 7.677 0.019 -7.533 1.00 0.00 C ATOM 1283 CD ARG B 135 9.105 -0.429 -7.265 1.00 0.00 C ATOM 1284 NE ARG B 135 10.085 0.521 -7.786 1.00 0.00 N ATOM 1285 CZ ARG B 135 10.407 0.622 -9.074 1.00 0.00 C ATOM 1286 NH1 ARG B 135 9.828 -0.163 -9.974 1.00 0.00 N ATOM 1287 NH2 ARG B 135 11.311 1.510 -9.463 1.00 0.00 N ATOM 0 H ARG B 135 4.613 -2.376 -6.708 1.00 0.00 H new ATOM 0 HA ARG B 135 5.418 0.236 -5.791 1.00 0.00 H new ATOM 0 HB2 ARG B 135 7.079 -1.497 -6.147 1.00 0.00 H new ATOM 0 HB3 ARG B 135 6.528 -1.768 -7.789 1.00 0.00 H new ATOM 0 HG2 ARG B 135 7.537 0.171 -8.603 1.00 0.00 H new ATOM 0 HG3 ARG B 135 7.499 0.979 -7.049 1.00 0.00 H new ATOM 0 HD2 ARG B 135 9.252 -0.549 -6.192 1.00 0.00 H new ATOM 0 HD3 ARG B 135 9.270 -1.406 -7.720 1.00 0.00 H new ATOM 0 HE ARG B 135 10.550 1.143 -7.125 1.00 0.00 H new ATOM 0 HH11 ARG B 135 9.132 -0.848 -9.680 1.00 0.00 H new ATOM 0 HH12 ARG B 135 10.079 -0.081 -10.959 1.00 0.00 H new ATOM 0 HH21 ARG B 135 11.760 2.116 -8.776 1.00 0.00 H new ATOM 0 HH22 ARG B 135 11.558 1.588 -10.450 1.00 0.00 H new ATOM 1301 N GLY B 136 4.453 -0.189 -8.930 1.00 0.00 N ATOM 1302 CA GLY B 136 3.959 0.534 -10.086 1.00 0.00 C ATOM 1303 C GLY B 136 2.622 1.199 -9.827 1.00 0.00 C ATOM 1304 O GLY B 136 1.837 0.731 -9.002 1.00 0.00 O ATOM 0 H GLY B 136 4.507 -1.201 -9.047 1.00 0.00 H new ATOM 0 HA2 GLY B 136 4.688 1.291 -10.376 1.00 0.00 H new ATOM 0 HA3 GLY B 136 3.862 -0.153 -10.926 1.00 0.00 H new ATOM 1308 N LYS B 137 2.362 2.295 -10.533 1.00 0.00 N ATOM 1309 CA LYS B 137 1.110 3.027 -10.377 1.00 0.00 C ATOM 1310 C LYS B 137 0.978 3.587 -8.964 1.00 0.00 C ATOM 1311 O LYS B 137 -0.129 3.731 -8.444 1.00 0.00 O ATOM 1312 CB LYS B 137 -0.081 2.120 -10.692 1.00 0.00 C ATOM 1313 CG LYS B 137 -0.009 1.479 -12.069 1.00 0.00 C ATOM 1314 CD LYS B 137 -0.604 2.384 -13.136 1.00 0.00 C ATOM 1315 CE LYS B 137 0.208 2.340 -14.420 1.00 0.00 C ATOM 1316 NZ LYS B 137 -0.326 1.337 -15.382 1.00 0.00 N ATOM 0 H LYS B 137 3.002 2.696 -11.219 1.00 0.00 H new ATOM 0 HA LYS B 137 1.118 3.860 -11.079 1.00 0.00 H new ATOM 0 HB2 LYS B 137 -0.139 1.335 -9.938 1.00 0.00 H new ATOM 0 HB3 LYS B 137 -1.000 2.702 -10.619 1.00 0.00 H new ATOM 0 HG2 LYS B 137 1.030 1.259 -12.315 1.00 0.00 H new ATOM 0 HG3 LYS B 137 -0.542 0.529 -12.058 1.00 0.00 H new ATOM 0 HD2 LYS B 137 -1.630 2.079 -13.342 1.00 0.00 H new ATOM 0 HD3 LYS B 137 -0.644 3.408 -12.765 1.00 0.00 H new ATOM 0 HE2 LYS B 137 0.205 3.326 -14.885 1.00 0.00 H new ATOM 0 HE3 LYS B 137 1.245 2.101 -14.185 1.00 0.00 H new ATOM 0 HZ1 LYS B 137 0.256 1.339 -16.244 1.00 0.00 H new ATOM 0 HZ2 LYS B 137 -0.300 0.392 -14.948 1.00 0.00 H new ATOM 0 HZ3 LYS B 137 -1.308 1.579 -15.626 1.00 0.00 H new ATOM 1330 N PHE B 138 2.113 3.902 -8.348 1.00 0.00 N ATOM 1331 CA PHE B 138 2.123 4.448 -6.996 1.00 0.00 C ATOM 1332 C PHE B 138 3.073 5.637 -6.897 1.00 0.00 C ATOM 1333 O PHE B 138 3.648 5.900 -5.841 1.00 0.00 O ATOM 1334 CB PHE B 138 2.530 3.368 -5.991 1.00 0.00 C ATOM 1335 CG PHE B 138 1.362 2.656 -5.370 1.00 0.00 C ATOM 1336 CD1 PHE B 138 0.759 3.152 -4.225 1.00 0.00 C ATOM 1337 CD2 PHE B 138 0.868 1.491 -5.933 1.00 0.00 C ATOM 1338 CE1 PHE B 138 -0.316 2.497 -3.653 1.00 0.00 C ATOM 1339 CE2 PHE B 138 -0.206 0.832 -5.366 1.00 0.00 C ATOM 1340 CZ PHE B 138 -0.799 1.336 -4.225 1.00 0.00 C ATOM 0 H PHE B 138 3.037 3.788 -8.764 1.00 0.00 H new ATOM 0 HA PHE B 138 1.115 4.791 -6.761 1.00 0.00 H new ATOM 0 HB2 PHE B 138 3.166 2.638 -6.492 1.00 0.00 H new ATOM 0 HB3 PHE B 138 3.128 3.824 -5.202 1.00 0.00 H new ATOM 0 HD1 PHE B 138 1.133 4.060 -3.775 1.00 0.00 H new ATOM 0 HD2 PHE B 138 1.328 1.093 -6.826 1.00 0.00 H new ATOM 0 HE1 PHE B 138 -0.777 2.893 -2.760 1.00 0.00 H new ATOM 0 HE2 PHE B 138 -0.581 -0.076 -5.814 1.00 0.00 H new ATOM 0 HZ PHE B 138 -1.639 0.823 -3.781 1.00 0.00 H new