USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 498 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 121 MET CE :methyl -120:sc= 0 (180deg=-0.0833) USER MOD Set 1.2: A 125 ASN : amide:sc= -0.0858 X(o=-0.086,f=0.26) USER MOD Set 2.1: A 114 THR OG1 : rot -68:sc= 0.407 USER MOD Set 2.2: A 126 GLN : amide:sc= -1.4! C(o=-0.99!,f=-4.5!) USER MOD Single : A 81 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-2!) USER MOD Single : A 85 SER OG : rot 96:sc= 0.311 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00796 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 115:sc= 0.285 USER MOD Single : A 96 SER OG : rot 180:sc= -1.17 USER MOD Single : A 100 LYS NZ :NH3+ 157:sc= -0.0279 (180deg=-0.21) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.5!) USER MOD Single : A 116 CYS SG : rot 140:sc= -1.79! USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 80:sc= -1.31 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 144 GLN : amide:sc= -0.549 K(o=-0.55,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 130 N HIS A 81 -5.450 8.135 3.095 1.00 1.00 N ATOM 131 CA HIS A 81 -5.651 6.774 3.562 1.00 1.00 C ATOM 132 C HIS A 81 -4.304 6.055 3.641 1.00 1.00 C ATOM 133 O HIS A 81 -3.760 5.633 2.621 1.00 1.00 O ATOM 134 CB HIS A 81 -6.663 6.041 2.678 1.00 1.00 C ATOM 135 CG HIS A 81 -6.393 4.563 2.531 1.00 1.00 C ATOM 136 ND1 HIS A 81 -6.025 3.759 3.596 1.00 1.00 N ATOM 137 CD2 HIS A 81 -6.443 3.752 1.435 1.00 1.00 C ATOM 138 CE1 HIS A 81 -5.862 2.522 3.149 1.00 1.00 C ATOM 139 NE2 HIS A 81 -6.120 2.520 1.810 1.00 1.00 N ATOM 0 HA HIS A 81 -6.075 6.789 4.566 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -7.661 6.178 3.095 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -6.665 6.500 1.689 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.701 4.060 0.433 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -5.575 1.666 3.741 1.00 1.00 H new ATOM 0 HE2 HIS A 81 -6.073 1.706 1.197 1.00 1.00 H new ATOM 146 N ILE A 82 -3.803 5.935 4.862 1.00 1.00 N ATOM 147 CA ILE A 82 -2.530 5.273 5.088 1.00 1.00 C ATOM 148 C ILE A 82 -2.773 3.789 5.361 1.00 1.00 C ATOM 149 O ILE A 82 -3.605 3.435 6.195 1.00 1.00 O ATOM 150 CB ILE A 82 -1.747 5.982 6.195 1.00 1.00 C ATOM 151 CG1 ILE A 82 -1.427 7.427 5.803 1.00 1.00 C ATOM 152 CG2 ILE A 82 -0.488 5.198 6.566 1.00 1.00 C ATOM 153 CD1 ILE A 82 -2.642 8.333 6.011 1.00 1.00 C ATOM 0 H ILE A 82 -4.257 6.286 5.706 1.00 1.00 H new ATOM 0 HA ILE A 82 -1.905 5.335 4.197 1.00 1.00 H new ATOM 0 HB ILE A 82 -2.376 6.021 7.085 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -0.590 7.792 6.398 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -1.116 7.464 4.759 1.00 1.00 H new ATOM 0 HG21 ILE A 82 0.049 5.725 7.355 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -0.768 4.205 6.918 1.00 1.00 H new ATOM 0 HG23 ILE A 82 0.154 5.105 5.690 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.388 9.354 5.725 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -3.469 7.979 5.396 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -2.936 8.313 7.060 1.00 1.00 H new ATOM 164 N VAL A 83 -2.032 2.958 4.643 1.00 1.00 N ATOM 165 CA VAL A 83 -2.156 1.519 4.797 1.00 1.00 C ATOM 166 C VAL A 83 -1.350 1.069 6.018 1.00 1.00 C ATOM 167 O VAL A 83 -0.137 1.268 6.073 1.00 1.00 O ATOM 168 CB VAL A 83 -1.729 0.815 3.507 1.00 1.00 C ATOM 169 CG1 VAL A 83 -1.730 -0.705 3.685 1.00 1.00 C ATOM 170 CG2 VAL A 83 -2.620 1.231 2.335 1.00 1.00 C ATOM 0 H VAL A 83 -1.343 3.255 3.952 1.00 1.00 H new ATOM 0 HA VAL A 83 -3.196 1.243 4.973 1.00 1.00 H new ATOM 0 HB VAL A 83 -0.709 1.124 3.278 1.00 1.00 H new ATOM 0 HG11 VAL A 83 -1.423 -1.181 2.754 1.00 1.00 H new ATOM 0 HG12 VAL A 83 -1.035 -0.979 4.479 1.00 1.00 H new ATOM 0 HG13 VAL A 83 -2.733 -1.040 3.950 1.00 1.00 H new ATOM 0 HG21 VAL A 83 -2.295 0.717 1.431 1.00 1.00 H new ATOM 0 HG22 VAL A 83 -3.655 0.965 2.552 1.00 1.00 H new ATOM 0 HG23 VAL A 83 -2.546 2.308 2.186 1.00 1.00 H new ATOM 180 N ARG A 84 -2.057 0.473 6.967 1.00 1.00 N ATOM 181 CA ARG A 84 -1.423 -0.006 8.183 1.00 1.00 C ATOM 182 C ARG A 84 -1.285 -1.529 8.146 1.00 1.00 C ATOM 183 O ARG A 84 -2.284 -2.247 8.178 1.00 1.00 O ATOM 184 CB ARG A 84 -2.229 0.397 9.420 1.00 1.00 C ATOM 185 CG ARG A 84 -2.529 1.897 9.414 1.00 1.00 C ATOM 186 CD ARG A 84 -3.338 2.298 10.650 1.00 1.00 C ATOM 187 NE ARG A 84 -3.276 3.765 10.839 1.00 1.00 N ATOM 188 CZ ARG A 84 -4.224 4.486 11.477 1.00 1.00 C ATOM 189 NH1 ARG A 84 -5.315 3.880 11.992 1.00 1.00 N ATOM 190 NH2 ARG A 84 -4.067 5.792 11.589 1.00 1.00 N ATOM 0 H ARG A 84 -3.063 0.311 6.918 1.00 1.00 H new ATOM 0 HA ARG A 84 -0.435 0.450 8.243 1.00 1.00 H new ATOM 0 HB2 ARG A 84 -3.163 -0.164 9.449 1.00 1.00 H new ATOM 0 HB3 ARG A 84 -1.673 0.137 10.321 1.00 1.00 H new ATOM 0 HG2 ARG A 84 -1.595 2.458 9.388 1.00 1.00 H new ATOM 0 HG3 ARG A 84 -3.083 2.157 8.512 1.00 1.00 H new ATOM 0 HD2 ARG A 84 -4.375 1.981 10.535 1.00 1.00 H new ATOM 0 HD3 ARG A 84 -2.946 1.792 11.532 1.00 1.00 H new ATOM 0 HE ARG A 84 -2.468 4.262 10.465 1.00 1.00 H new ATOM 0 HH11 ARG A 84 -5.428 2.870 11.901 1.00 1.00 H new ATOM 0 HH12 ARG A 84 -6.026 4.432 12.472 1.00 1.00 H new ATOM 0 HH21 ARG A 84 -3.240 6.242 11.197 1.00 1.00 H new ATOM 0 HH22 ARG A 84 -4.773 6.351 12.068 1.00 1.00 H new ATOM 199 N SER A 85 -0.040 -1.977 8.078 1.00 1.00 N ATOM 200 CA SER A 85 0.241 -3.403 8.036 1.00 1.00 C ATOM 201 C SER A 85 -0.597 -4.132 9.087 1.00 1.00 C ATOM 202 O SER A 85 -0.289 -4.082 10.277 1.00 1.00 O ATOM 203 CB SER A 85 1.730 -3.677 8.260 1.00 1.00 C ATOM 204 OG SER A 85 2.375 -2.602 8.936 1.00 1.00 O ATOM 0 H SER A 85 0.785 -1.378 8.051 1.00 1.00 H new ATOM 0 HA SER A 85 -0.025 -3.776 7.047 1.00 1.00 H new ATOM 0 HB2 SER A 85 1.847 -4.592 8.840 1.00 1.00 H new ATOM 0 HB3 SER A 85 2.216 -3.845 7.299 1.00 1.00 H new ATOM 0 HG SER A 85 2.413 -2.795 9.896 1.00 1.00 H new ATOM 209 N PRO A 86 -1.669 -4.811 8.597 1.00 1.00 N ATOM 210 CA PRO A 86 -2.554 -5.551 9.481 1.00 1.00 C ATOM 211 C PRO A 86 -1.900 -6.852 9.950 1.00 1.00 C ATOM 212 O PRO A 86 -2.501 -7.618 10.701 1.00 1.00 O ATOM 213 CB PRO A 86 -3.819 -5.781 8.669 1.00 1.00 C ATOM 214 CG PRO A 86 -3.424 -5.573 7.215 1.00 1.00 C ATOM 215 CD PRO A 86 -2.065 -4.893 7.194 1.00 1.00 C ATOM 0 HA PRO A 86 -2.779 -5.009 10.400 1.00 1.00 H new ATOM 0 HB2 PRO A 86 -4.208 -6.787 8.828 1.00 1.00 H new ATOM 0 HB3 PRO A 86 -4.604 -5.085 8.964 1.00 1.00 H new ATOM 0 HG2 PRO A 86 -3.381 -6.528 6.691 1.00 1.00 H new ATOM 0 HG3 PRO A 86 -4.165 -4.960 6.702 1.00 1.00 H new ATOM 0 HD2 PRO A 86 -1.344 -5.467 6.612 1.00 1.00 H new ATOM 0 HD3 PRO A 86 -2.124 -3.903 6.741 1.00 1.00 H new ATOM 220 N MET A 87 -0.676 -7.062 9.486 1.00 1.00 N ATOM 221 CA MET A 87 0.066 -8.258 9.847 1.00 1.00 C ATOM 222 C MET A 87 1.570 -7.979 9.883 1.00 1.00 C ATOM 223 O MET A 87 2.111 -7.354 8.972 1.00 1.00 O ATOM 224 CB MET A 87 -0.224 -9.366 8.834 1.00 1.00 C ATOM 225 CG MET A 87 -1.196 -10.397 9.411 1.00 1.00 C ATOM 226 SD MET A 87 -2.272 -11.009 8.125 1.00 1.00 S ATOM 227 CE MET A 87 -3.347 -12.056 9.092 1.00 1.00 C ATOM 0 H MET A 87 -0.180 -6.424 8.863 1.00 1.00 H new ATOM 0 HA MET A 87 -0.251 -8.573 10.841 1.00 1.00 H new ATOM 0 HB2 MET A 87 -0.645 -8.933 7.927 1.00 1.00 H new ATOM 0 HB3 MET A 87 0.707 -9.857 8.551 1.00 1.00 H new ATOM 0 HG2 MET A 87 -0.641 -11.223 9.856 1.00 1.00 H new ATOM 0 HG3 MET A 87 -1.788 -9.945 10.207 1.00 1.00 H new ATOM 0 HE1 MET A 87 -4.086 -12.521 8.439 1.00 1.00 H new ATOM 0 HE2 MET A 87 -2.757 -12.831 9.581 1.00 1.00 H new ATOM 0 HE3 MET A 87 -3.856 -11.457 9.847 1.00 1.00 H new ATOM 235 N VAL A 88 2.203 -8.456 10.945 1.00 1.00 N ATOM 236 CA VAL A 88 3.634 -8.266 11.110 1.00 1.00 C ATOM 237 C VAL A 88 4.382 -9.205 10.162 1.00 1.00 C ATOM 238 O VAL A 88 3.941 -10.326 9.917 1.00 1.00 O ATOM 239 CB VAL A 88 4.022 -8.465 12.577 1.00 1.00 C ATOM 240 CG1 VAL A 88 5.449 -7.980 12.838 1.00 1.00 C ATOM 241 CG2 VAL A 88 3.027 -7.768 13.507 1.00 1.00 C ATOM 0 H VAL A 88 1.751 -8.973 11.699 1.00 1.00 H new ATOM 0 HA VAL A 88 3.917 -7.247 10.847 1.00 1.00 H new ATOM 0 HB VAL A 88 3.988 -9.533 12.790 1.00 1.00 H new ATOM 0 HG11 VAL A 88 5.699 -8.133 13.888 1.00 1.00 H new ATOM 0 HG12 VAL A 88 6.144 -8.542 12.214 1.00 1.00 H new ATOM 0 HG13 VAL A 88 5.522 -6.919 12.598 1.00 1.00 H new ATOM 0 HG21 VAL A 88 3.326 -7.925 14.543 1.00 1.00 H new ATOM 0 HG22 VAL A 88 3.014 -6.700 13.291 1.00 1.00 H new ATOM 0 HG23 VAL A 88 2.031 -8.182 13.350 1.00 1.00 H new ATOM 251 N GLY A 89 5.502 -8.710 9.653 1.00 1.00 N ATOM 252 CA GLY A 89 6.316 -9.491 8.737 1.00 1.00 C ATOM 253 C GLY A 89 7.161 -8.581 7.844 1.00 1.00 C ATOM 254 O GLY A 89 7.990 -7.819 8.336 1.00 1.00 O ATOM 0 H GLY A 89 5.864 -7.779 9.858 1.00 1.00 H new ATOM 0 HA2 GLY A 89 6.967 -10.159 9.302 1.00 1.00 H new ATOM 0 HA3 GLY A 89 5.674 -10.119 8.119 1.00 1.00 H new ATOM 258 N THR A 90 6.921 -8.691 6.545 1.00 1.00 N ATOM 259 CA THR A 90 7.650 -7.889 5.578 1.00 1.00 C ATOM 260 C THR A 90 6.681 -7.221 4.600 1.00 1.00 C ATOM 261 O THR A 90 5.505 -7.576 4.548 1.00 1.00 O ATOM 262 CB THR A 90 8.679 -8.790 4.893 1.00 1.00 C ATOM 263 OG1 THR A 90 9.495 -9.260 5.963 1.00 1.00 O ATOM 264 CG2 THR A 90 9.645 -8.006 4.004 1.00 1.00 C ATOM 0 H THR A 90 6.231 -9.324 6.140 1.00 1.00 H new ATOM 0 HA THR A 90 8.185 -7.074 6.065 1.00 1.00 H new ATOM 0 HB THR A 90 8.163 -9.540 4.294 1.00 1.00 H new ATOM 0 HG1 THR A 90 10.189 -9.854 5.608 1.00 1.00 H new ATOM 0 HG21 THR A 90 10.354 -8.693 3.542 1.00 1.00 H new ATOM 0 HG22 THR A 90 9.084 -7.487 3.227 1.00 1.00 H new ATOM 0 HG23 THR A 90 10.187 -7.278 4.608 1.00 1.00 H new ATOM 272 N PHE A 91 7.211 -6.266 3.850 1.00 1.00 N ATOM 273 CA PHE A 91 6.408 -5.547 2.877 1.00 1.00 C ATOM 274 C PHE A 91 7.185 -5.328 1.577 1.00 1.00 C ATOM 275 O PHE A 91 8.371 -5.003 1.607 1.00 1.00 O ATOM 276 CB PHE A 91 6.074 -4.185 3.492 1.00 1.00 C ATOM 277 CG PHE A 91 5.405 -3.211 2.521 1.00 1.00 C ATOM 278 CD1 PHE A 91 6.117 -2.678 1.492 1.00 1.00 C ATOM 279 CD2 PHE A 91 4.096 -2.879 2.684 1.00 1.00 C ATOM 280 CE1 PHE A 91 5.495 -1.774 0.591 1.00 1.00 C ATOM 281 CE2 PHE A 91 3.474 -1.976 1.783 1.00 1.00 C ATOM 282 CZ PHE A 91 4.187 -1.442 0.755 1.00 1.00 C ATOM 0 H PHE A 91 8.187 -5.974 3.897 1.00 1.00 H new ATOM 0 HA PHE A 91 5.511 -6.119 2.640 1.00 1.00 H new ATOM 0 HB2 PHE A 91 5.418 -4.336 4.349 1.00 1.00 H new ATOM 0 HB3 PHE A 91 6.992 -3.733 3.869 1.00 1.00 H new ATOM 0 HD1 PHE A 91 7.156 -2.942 1.360 1.00 1.00 H new ATOM 0 HD2 PHE A 91 3.529 -3.303 3.500 1.00 1.00 H new ATOM 0 HE1 PHE A 91 6.061 -1.350 -0.225 1.00 1.00 H new ATOM 0 HE2 PHE A 91 2.435 -1.713 1.914 1.00 1.00 H new ATOM 0 HZ PHE A 91 3.714 -0.755 0.069 1.00 1.00 H new ATOM 291 N TYR A 92 6.486 -5.518 0.468 1.00 1.00 N ATOM 292 CA TYR A 92 7.096 -5.346 -0.839 1.00 1.00 C ATOM 293 C TYR A 92 6.232 -4.458 -1.736 1.00 1.00 C ATOM 294 O TYR A 92 5.043 -4.274 -1.473 1.00 1.00 O ATOM 295 CB TYR A 92 7.177 -6.746 -1.454 1.00 1.00 C ATOM 296 CG TYR A 92 8.234 -7.647 -0.812 1.00 1.00 C ATOM 297 CD1 TYR A 92 9.573 -7.427 -1.062 1.00 1.00 C ATOM 298 CD2 TYR A 92 7.848 -8.680 0.018 1.00 1.00 C ATOM 299 CE1 TYR A 92 10.567 -8.275 -0.458 1.00 1.00 C ATOM 300 CE2 TYR A 92 8.842 -9.528 0.622 1.00 1.00 C ATOM 301 CZ TYR A 92 10.153 -9.284 0.354 1.00 1.00 C ATOM 302 OH TYR A 92 11.092 -10.084 0.925 1.00 1.00 O ATOM 0 H TYR A 92 5.503 -5.789 0.448 1.00 1.00 H new ATOM 0 HA TYR A 92 8.073 -4.872 -0.746 1.00 1.00 H new ATOM 0 HB2 TYR A 92 6.203 -7.227 -1.367 1.00 1.00 H new ATOM 0 HB3 TYR A 92 7.392 -6.652 -2.518 1.00 1.00 H new ATOM 0 HD1 TYR A 92 9.875 -6.618 -1.711 1.00 1.00 H new ATOM 0 HD2 TYR A 92 6.800 -8.852 0.214 1.00 1.00 H new ATOM 0 HE1 TYR A 92 11.618 -8.113 -0.646 1.00 1.00 H new ATOM 0 HE2 TYR A 92 8.553 -10.340 1.273 1.00 1.00 H new ATOM 0 HH TYR A 92 10.651 -10.761 1.480 1.00 1.00 H new ATOM 311 N ARG A 93 6.860 -3.932 -2.777 1.00 1.00 N ATOM 312 CA ARG A 93 6.162 -3.067 -3.714 1.00 1.00 C ATOM 313 C ARG A 93 5.961 -3.785 -5.049 1.00 1.00 C ATOM 314 O ARG A 93 5.179 -3.338 -5.887 1.00 1.00 O ATOM 315 CB ARG A 93 6.941 -1.771 -3.952 1.00 1.00 C ATOM 316 CG ARG A 93 7.157 -1.014 -2.640 1.00 1.00 C ATOM 317 CD ARG A 93 6.014 -0.031 -2.379 1.00 1.00 C ATOM 318 NE ARG A 93 5.808 0.833 -3.563 1.00 1.00 N ATOM 319 CZ ARG A 93 6.674 1.788 -3.963 1.00 1.00 C ATOM 320 NH1 ARG A 93 7.815 2.009 -3.276 1.00 1.00 N ATOM 321 NH2 ARG A 93 6.389 2.501 -5.036 1.00 1.00 N ATOM 0 H ARG A 93 7.845 -4.088 -2.993 1.00 1.00 H new ATOM 0 HA ARG A 93 5.193 -2.821 -3.280 1.00 1.00 H new ATOM 0 HB2 ARG A 93 7.905 -2.000 -4.407 1.00 1.00 H new ATOM 0 HB3 ARG A 93 6.398 -1.140 -4.655 1.00 1.00 H new ATOM 0 HG2 ARG A 93 7.228 -1.723 -1.815 1.00 1.00 H new ATOM 0 HG3 ARG A 93 8.103 -0.475 -2.679 1.00 1.00 H new ATOM 0 HD2 ARG A 93 5.098 -0.577 -2.154 1.00 1.00 H new ATOM 0 HD3 ARG A 93 6.242 0.582 -1.507 1.00 1.00 H new ATOM 0 HE ARG A 93 4.958 0.698 -4.111 1.00 1.00 H new ATOM 0 HH11 ARG A 93 8.028 1.452 -2.448 1.00 1.00 H new ATOM 0 HH12 ARG A 93 8.464 2.733 -3.585 1.00 1.00 H new ATOM 0 HH21 ARG A 93 5.525 2.327 -5.550 1.00 1.00 H new ATOM 0 HH22 ARG A 93 7.033 3.227 -5.352 1.00 1.00 H new ATOM 330 N THR A 94 6.679 -4.888 -5.207 1.00 1.00 N ATOM 331 CA THR A 94 6.589 -5.672 -6.426 1.00 1.00 C ATOM 332 C THR A 94 6.450 -7.160 -6.094 1.00 1.00 C ATOM 333 O THR A 94 6.864 -7.601 -5.024 1.00 1.00 O ATOM 334 CB THR A 94 7.813 -5.352 -7.286 1.00 1.00 C ATOM 335 OG1 THR A 94 8.919 -5.632 -6.432 1.00 1.00 O ATOM 336 CG2 THR A 94 7.942 -3.858 -7.587 1.00 1.00 C ATOM 0 H THR A 94 7.326 -5.257 -4.510 1.00 1.00 H new ATOM 0 HA THR A 94 5.697 -5.414 -6.997 1.00 1.00 H new ATOM 0 HB THR A 94 7.754 -5.907 -8.223 1.00 1.00 H new ATOM 0 HG1 THR A 94 9.429 -6.386 -6.794 1.00 1.00 H new ATOM 0 HG21 THR A 94 8.827 -3.685 -8.200 1.00 1.00 H new ATOM 0 HG22 THR A 94 7.057 -3.517 -8.124 1.00 1.00 H new ATOM 0 HG23 THR A 94 8.035 -3.305 -6.652 1.00 1.00 H new ATOM 344 N PRO A 95 5.852 -7.910 -7.058 1.00 1.00 N ATOM 345 CA PRO A 95 5.655 -9.339 -6.879 1.00 1.00 C ATOM 346 C PRO A 95 6.970 -10.100 -7.053 1.00 1.00 C ATOM 347 O PRO A 95 7.167 -11.152 -6.449 1.00 1.00 O ATOM 348 CB PRO A 95 4.605 -9.723 -7.909 1.00 1.00 C ATOM 349 CG PRO A 95 4.593 -8.599 -8.932 1.00 1.00 C ATOM 350 CD PRO A 95 5.350 -7.421 -8.338 1.00 1.00 C ATOM 0 HA PRO A 95 5.320 -9.595 -5.874 1.00 1.00 H new ATOM 0 HB2 PRO A 95 4.849 -10.676 -8.379 1.00 1.00 H new ATOM 0 HB3 PRO A 95 3.626 -9.838 -7.444 1.00 1.00 H new ATOM 0 HG2 PRO A 95 5.060 -8.924 -9.862 1.00 1.00 H new ATOM 0 HG3 PRO A 95 3.569 -8.313 -9.173 1.00 1.00 H new ATOM 0 HD2 PRO A 95 6.166 -7.106 -8.989 1.00 1.00 H new ATOM 0 HD3 PRO A 95 4.698 -6.558 -8.204 1.00 1.00 H new ATOM 355 N SER A 96 7.836 -9.538 -7.884 1.00 1.00 N ATOM 356 CA SER A 96 9.128 -10.151 -8.146 1.00 1.00 C ATOM 357 C SER A 96 10.202 -9.071 -8.281 1.00 1.00 C ATOM 358 O SER A 96 9.904 -7.879 -8.201 1.00 1.00 O ATOM 359 CB SER A 96 9.082 -11.014 -9.409 1.00 1.00 C ATOM 360 OG SER A 96 9.502 -12.352 -9.157 1.00 1.00 O ATOM 0 H SER A 96 7.669 -8.665 -8.385 1.00 1.00 H new ATOM 0 HA SER A 96 9.376 -10.798 -7.305 1.00 1.00 H new ATOM 0 HB2 SER A 96 8.067 -11.021 -9.806 1.00 1.00 H new ATOM 0 HB3 SER A 96 9.720 -10.572 -10.174 1.00 1.00 H new ATOM 0 HG SER A 96 9.457 -12.871 -9.987 1.00 1.00 H new ATOM 365 N PRO A 97 11.463 -9.536 -8.486 1.00 1.00 N ATOM 366 CA PRO A 97 12.584 -8.623 -8.632 1.00 1.00 C ATOM 367 C PRO A 97 12.570 -7.953 -10.008 1.00 1.00 C ATOM 368 O PRO A 97 12.753 -6.741 -10.114 1.00 1.00 O ATOM 369 CB PRO A 97 13.820 -9.477 -8.400 1.00 1.00 C ATOM 370 CG PRO A 97 13.374 -10.917 -8.593 1.00 1.00 C ATOM 371 CD PRO A 97 11.854 -10.939 -8.585 1.00 1.00 C ATOM 0 HA PRO A 97 12.548 -7.796 -7.922 1.00 1.00 H new ATOM 0 HB2 PRO A 97 14.612 -9.216 -9.102 1.00 1.00 H new ATOM 0 HB3 PRO A 97 14.219 -9.323 -7.397 1.00 1.00 H new ATOM 0 HG2 PRO A 97 13.757 -11.312 -9.534 1.00 1.00 H new ATOM 0 HG3 PRO A 97 13.769 -11.549 -7.798 1.00 1.00 H new ATOM 0 HD2 PRO A 97 11.460 -11.397 -9.492 1.00 1.00 H new ATOM 0 HD3 PRO A 97 11.471 -11.517 -7.744 1.00 1.00 H new ATOM 376 N ASP A 98 12.351 -8.772 -11.026 1.00 1.00 N ATOM 377 CA ASP A 98 12.311 -8.273 -12.391 1.00 1.00 C ATOM 378 C ASP A 98 10.854 -8.097 -12.822 1.00 1.00 C ATOM 379 O ASP A 98 10.470 -8.520 -13.911 1.00 1.00 O ATOM 380 CB ASP A 98 12.974 -9.258 -13.357 1.00 1.00 C ATOM 381 CG ASP A 98 12.142 -10.498 -13.687 1.00 1.00 C ATOM 382 OD1 ASP A 98 12.072 -11.451 -12.897 1.00 1.00 O ATOM 383 OD2 ASP A 98 11.541 -10.463 -14.828 1.00 1.00 O ATOM 0 H ASP A 98 12.200 -9.776 -10.934 1.00 1.00 H new ATOM 0 HA ASP A 98 12.847 -7.324 -12.419 1.00 1.00 H new ATOM 0 HB2 ASP A 98 13.203 -8.735 -14.285 1.00 1.00 H new ATOM 0 HB3 ASP A 98 13.924 -9.579 -12.930 1.00 1.00 H new ATOM 388 N ALA A 99 10.082 -7.472 -11.945 1.00 1.00 N ATOM 389 CA ALA A 99 8.675 -7.235 -12.222 1.00 1.00 C ATOM 390 C ALA A 99 8.361 -5.753 -12.009 1.00 1.00 C ATOM 391 O ALA A 99 9.110 -5.046 -11.337 1.00 1.00 O ATOM 392 CB ALA A 99 7.820 -8.144 -11.336 1.00 1.00 C ATOM 0 H ALA A 99 10.404 -7.123 -11.042 1.00 1.00 H new ATOM 0 HA ALA A 99 8.442 -7.477 -13.259 1.00 1.00 H new ATOM 0 HB1 ALA A 99 6.765 -7.966 -11.544 1.00 1.00 H new ATOM 0 HB2 ALA A 99 8.060 -9.186 -11.545 1.00 1.00 H new ATOM 0 HB3 ALA A 99 8.025 -7.927 -10.288 1.00 1.00 H new ATOM 398 N LYS A 100 7.252 -5.326 -12.595 1.00 1.00 N ATOM 399 CA LYS A 100 6.829 -3.941 -12.477 1.00 1.00 C ATOM 400 C LYS A 100 6.328 -3.683 -11.056 1.00 1.00 C ATOM 401 O LYS A 100 6.070 -4.622 -10.305 1.00 1.00 O ATOM 402 CB LYS A 100 5.805 -3.600 -13.562 1.00 1.00 C ATOM 403 CG LYS A 100 6.081 -4.387 -14.844 1.00 1.00 C ATOM 404 CD LYS A 100 7.582 -4.460 -15.131 1.00 1.00 C ATOM 405 CE LYS A 100 7.862 -4.313 -16.628 1.00 1.00 C ATOM 406 NZ LYS A 100 7.585 -2.929 -17.074 1.00 1.00 N ATOM 0 H LYS A 100 6.634 -5.915 -13.153 1.00 1.00 H new ATOM 0 HA LYS A 100 7.672 -3.270 -12.643 1.00 1.00 H new ATOM 0 HB2 LYS A 100 4.801 -3.824 -13.203 1.00 1.00 H new ATOM 0 HB3 LYS A 100 5.836 -2.531 -13.773 1.00 1.00 H new ATOM 0 HG2 LYS A 100 5.676 -5.395 -14.751 1.00 1.00 H new ATOM 0 HG3 LYS A 100 5.570 -3.914 -15.682 1.00 1.00 H new ATOM 0 HD2 LYS A 100 8.100 -3.674 -14.582 1.00 1.00 H new ATOM 0 HD3 LYS A 100 7.978 -5.411 -14.775 1.00 1.00 H new ATOM 0 HE2 LYS A 100 8.901 -4.567 -16.836 1.00 1.00 H new ATOM 0 HE3 LYS A 100 7.244 -5.013 -17.190 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 8.122 -2.730 -17.942 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 6.568 -2.822 -17.264 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 7.870 -2.261 -16.330 1.00 1.00 H new ATOM 415 N ALA A 101 6.206 -2.405 -10.728 1.00 1.00 N ATOM 416 CA ALA A 101 5.741 -2.012 -9.409 1.00 1.00 C ATOM 417 C ALA A 101 4.210 -2.023 -9.389 1.00 1.00 C ATOM 418 O ALA A 101 3.570 -1.496 -10.297 1.00 1.00 O ATOM 419 CB ALA A 101 6.318 -0.641 -9.050 1.00 1.00 C ATOM 0 H ALA A 101 6.421 -1.628 -11.353 1.00 1.00 H new ATOM 0 HA ALA A 101 6.087 -2.719 -8.654 1.00 1.00 H new ATOM 0 HB1 ALA A 101 5.969 -0.347 -8.060 1.00 1.00 H new ATOM 0 HB2 ALA A 101 7.407 -0.693 -9.050 1.00 1.00 H new ATOM 0 HB3 ALA A 101 5.990 0.095 -9.784 1.00 1.00 H new ATOM 425 N PHE A 102 3.669 -2.627 -8.342 1.00 1.00 N ATOM 426 CA PHE A 102 2.226 -2.714 -8.192 1.00 1.00 C ATOM 427 C PHE A 102 1.581 -1.329 -8.282 1.00 1.00 C ATOM 428 O PHE A 102 0.523 -1.171 -8.889 1.00 1.00 O ATOM 429 CB PHE A 102 1.954 -3.300 -6.804 1.00 1.00 C ATOM 430 CG PHE A 102 1.911 -4.829 -6.772 1.00 1.00 C ATOM 431 CD1 PHE A 102 0.887 -5.493 -7.372 1.00 1.00 C ATOM 432 CD2 PHE A 102 2.898 -5.524 -6.146 1.00 1.00 C ATOM 433 CE1 PHE A 102 0.847 -6.912 -7.343 1.00 1.00 C ATOM 434 CE2 PHE A 102 2.858 -6.943 -6.116 1.00 1.00 C ATOM 435 CZ PHE A 102 1.834 -7.608 -6.715 1.00 1.00 C ATOM 0 H PHE A 102 4.203 -3.061 -7.589 1.00 1.00 H new ATOM 0 HA PHE A 102 1.807 -3.334 -8.985 1.00 1.00 H new ATOM 0 HB2 PHE A 102 2.726 -2.954 -6.117 1.00 1.00 H new ATOM 0 HB3 PHE A 102 1.004 -2.912 -6.437 1.00 1.00 H new ATOM 0 HD1 PHE A 102 0.104 -4.941 -7.871 1.00 1.00 H new ATOM 0 HD2 PHE A 102 3.712 -4.997 -5.672 1.00 1.00 H new ATOM 0 HE1 PHE A 102 0.034 -7.439 -7.819 1.00 1.00 H new ATOM 0 HE2 PHE A 102 3.641 -7.495 -5.617 1.00 1.00 H new ATOM 0 HZ PHE A 102 1.804 -8.687 -6.692 1.00 1.00 H new ATOM 444 N ILE A 103 2.246 -0.361 -7.668 1.00 1.00 N ATOM 445 CA ILE A 103 1.752 1.005 -7.672 1.00 1.00 C ATOM 446 C ILE A 103 2.920 1.965 -7.902 1.00 1.00 C ATOM 447 O ILE A 103 3.703 2.226 -6.989 1.00 1.00 O ATOM 448 CB ILE A 103 0.962 1.292 -6.393 1.00 1.00 C ATOM 449 CG1 ILE A 103 -0.056 2.412 -6.617 1.00 1.00 C ATOM 450 CG2 ILE A 103 1.902 1.597 -5.225 1.00 1.00 C ATOM 451 CD1 ILE A 103 0.619 3.784 -6.569 1.00 1.00 C ATOM 0 H ILE A 103 3.123 -0.496 -7.165 1.00 1.00 H new ATOM 0 HA ILE A 103 1.051 1.154 -8.493 1.00 1.00 H new ATOM 0 HB ILE A 103 0.401 0.395 -6.129 1.00 1.00 H new ATOM 0 HG12 ILE A 103 -0.544 2.277 -7.582 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -0.834 2.359 -5.856 1.00 1.00 H new ATOM 0 HG21 ILE A 103 1.315 1.797 -4.329 1.00 1.00 H new ATOM 0 HG22 ILE A 103 2.553 0.741 -5.049 1.00 1.00 H new ATOM 0 HG23 ILE A 103 2.508 2.471 -5.464 1.00 1.00 H new ATOM 0 HD11 ILE A 103 -0.127 4.562 -6.731 1.00 1.00 H new ATOM 0 HD12 ILE A 103 1.086 3.926 -5.594 1.00 1.00 H new ATOM 0 HD13 ILE A 103 1.380 3.843 -7.347 1.00 1.00 H new ATOM 462 N GLU A 104 3.001 2.466 -9.126 1.00 1.00 N ATOM 463 CA GLU A 104 4.061 3.392 -9.487 1.00 1.00 C ATOM 464 C GLU A 104 3.693 4.814 -9.057 1.00 1.00 C ATOM 465 O GLU A 104 2.701 5.370 -9.525 1.00 1.00 O ATOM 466 CB GLU A 104 4.353 3.332 -10.987 1.00 1.00 C ATOM 467 CG GLU A 104 3.174 3.870 -11.799 1.00 1.00 C ATOM 468 CD GLU A 104 3.337 3.545 -13.285 1.00 1.00 C ATOM 469 OE1 GLU A 104 3.587 2.385 -13.643 1.00 1.00 O ATOM 470 OE2 GLU A 104 3.195 4.551 -14.081 1.00 1.00 O ATOM 0 H GLU A 104 2.350 2.248 -9.880 1.00 1.00 H new ATOM 0 HA GLU A 104 4.969 3.098 -8.961 1.00 1.00 H new ATOM 0 HB2 GLU A 104 5.248 3.913 -11.210 1.00 1.00 H new ATOM 0 HB3 GLU A 104 4.561 2.303 -11.279 1.00 1.00 H new ATOM 0 HG2 GLU A 104 2.245 3.437 -11.428 1.00 1.00 H new ATOM 0 HG3 GLU A 104 3.098 4.949 -11.665 1.00 1.00 H new ATOM 476 N VAL A 105 4.513 5.360 -8.171 1.00 1.00 N ATOM 477 CA VAL A 105 4.285 6.706 -7.673 1.00 1.00 C ATOM 478 C VAL A 105 3.828 7.602 -8.826 1.00 1.00 C ATOM 479 O VAL A 105 4.574 7.823 -9.778 1.00 1.00 O ATOM 480 CB VAL A 105 5.545 7.225 -6.976 1.00 1.00 C ATOM 481 CG1 VAL A 105 5.347 8.660 -6.482 1.00 1.00 C ATOM 482 CG2 VAL A 105 5.957 6.302 -5.828 1.00 1.00 C ATOM 0 H VAL A 105 5.335 4.895 -7.786 1.00 1.00 H new ATOM 0 HA VAL A 105 3.491 6.708 -6.926 1.00 1.00 H new ATOM 0 HB VAL A 105 6.353 7.231 -7.707 1.00 1.00 H new ATOM 0 HG11 VAL A 105 6.257 9.004 -5.991 1.00 1.00 H new ATOM 0 HG12 VAL A 105 5.124 9.309 -7.329 1.00 1.00 H new ATOM 0 HG13 VAL A 105 4.519 8.690 -5.774 1.00 1.00 H new ATOM 0 HG21 VAL A 105 6.855 6.694 -5.350 1.00 1.00 H new ATOM 0 HG22 VAL A 105 5.151 6.249 -5.097 1.00 1.00 H new ATOM 0 HG23 VAL A 105 6.160 5.305 -6.218 1.00 1.00 H new ATOM 492 N GLY A 106 2.604 8.093 -8.702 1.00 1.00 N ATOM 493 CA GLY A 106 2.038 8.960 -9.722 1.00 1.00 C ATOM 494 C GLY A 106 0.816 8.311 -10.376 1.00 1.00 C ATOM 495 O GLY A 106 0.267 8.845 -11.338 1.00 1.00 O ATOM 0 H GLY A 106 1.988 7.907 -7.911 1.00 1.00 H new ATOM 0 HA2 GLY A 106 1.754 9.914 -9.277 1.00 1.00 H new ATOM 0 HA3 GLY A 106 2.790 9.174 -10.481 1.00 1.00 H new ATOM 499 N GLN A 107 0.427 7.170 -9.828 1.00 1.00 N ATOM 500 CA GLN A 107 -0.719 6.443 -10.346 1.00 1.00 C ATOM 501 C GLN A 107 -1.820 6.363 -9.287 1.00 1.00 C ATOM 502 O GLN A 107 -1.604 6.729 -8.133 1.00 1.00 O ATOM 503 CB GLN A 107 -0.313 5.046 -10.821 1.00 1.00 C ATOM 504 CG GLN A 107 -1.391 4.438 -11.720 1.00 1.00 C ATOM 505 CD GLN A 107 -0.785 3.433 -12.703 1.00 1.00 C ATOM 506 OE1 GLN A 107 -0.866 3.582 -13.910 1.00 1.00 O ATOM 507 NE2 GLN A 107 -0.175 2.407 -12.118 1.00 1.00 N ATOM 0 H GLN A 107 0.885 6.731 -9.030 1.00 1.00 H new ATOM 0 HA GLN A 107 -1.109 6.985 -11.207 1.00 1.00 H new ATOM 0 HB2 GLN A 107 0.630 5.103 -11.365 1.00 1.00 H new ATOM 0 HB3 GLN A 107 -0.146 4.399 -9.960 1.00 1.00 H new ATOM 0 HG2 GLN A 107 -2.144 3.943 -11.107 1.00 1.00 H new ATOM 0 HG3 GLN A 107 -1.899 5.230 -12.271 1.00 1.00 H new ATOM 0 HE21 GLN A 107 -0.145 2.345 -11.100 1.00 1.00 H new ATOM 0 HE22 GLN A 107 0.263 1.682 -12.687 1.00 1.00 H new ATOM 514 N LYS A 108 -2.977 5.882 -9.718 1.00 1.00 N ATOM 515 CA LYS A 108 -4.113 5.750 -8.821 1.00 1.00 C ATOM 516 C LYS A 108 -4.466 4.269 -8.667 1.00 1.00 C ATOM 517 O LYS A 108 -3.857 3.412 -9.307 1.00 1.00 O ATOM 518 CB LYS A 108 -5.279 6.614 -9.303 1.00 1.00 C ATOM 519 CG LYS A 108 -4.774 7.876 -10.006 1.00 1.00 C ATOM 520 CD LYS A 108 -5.936 8.681 -10.590 1.00 1.00 C ATOM 521 CE LYS A 108 -6.812 9.264 -9.481 1.00 1.00 C ATOM 522 NZ LYS A 108 -8.042 9.861 -10.050 1.00 1.00 N ATOM 0 H LYS A 108 -3.152 5.579 -10.676 1.00 1.00 H new ATOM 0 HA LYS A 108 -3.860 6.122 -7.828 1.00 1.00 H new ATOM 0 HB2 LYS A 108 -5.904 6.039 -9.986 1.00 1.00 H new ATOM 0 HB3 LYS A 108 -5.905 6.892 -8.455 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -4.219 8.493 -9.299 1.00 1.00 H new ATOM 0 HG3 LYS A 108 -4.082 7.601 -10.802 1.00 1.00 H new ATOM 0 HD2 LYS A 108 -5.548 9.487 -11.213 1.00 1.00 H new ATOM 0 HD3 LYS A 108 -6.538 8.041 -11.235 1.00 1.00 H new ATOM 0 HE2 LYS A 108 -7.076 8.482 -8.769 1.00 1.00 H new ATOM 0 HE3 LYS A 108 -6.255 10.021 -8.930 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 -8.625 10.252 -9.283 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 -7.785 10.621 -10.711 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 -8.581 9.129 -10.556 1.00 1.00 H new ATOM 531 N VAL A 109 -5.449 4.014 -7.817 1.00 1.00 N ATOM 532 CA VAL A 109 -5.891 2.651 -7.572 1.00 1.00 C ATOM 533 C VAL A 109 -7.373 2.661 -7.191 1.00 1.00 C ATOM 534 O VAL A 109 -7.848 3.601 -6.556 1.00 1.00 O ATOM 535 CB VAL A 109 -5.005 1.997 -6.509 1.00 1.00 C ATOM 536 CG1 VAL A 109 -3.551 1.921 -6.979 1.00 1.00 C ATOM 537 CG2 VAL A 109 -5.112 2.737 -5.175 1.00 1.00 C ATOM 0 H VAL A 109 -5.952 4.727 -7.289 1.00 1.00 H new ATOM 0 HA VAL A 109 -5.791 2.049 -8.475 1.00 1.00 H new ATOM 0 HB VAL A 109 -5.362 0.978 -6.356 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -2.943 1.452 -6.205 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -3.494 1.330 -7.893 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -3.179 2.927 -7.174 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -4.473 2.252 -4.437 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -4.794 3.771 -5.306 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -6.145 2.716 -4.829 1.00 1.00 H new ATOM 547 N ASN A 110 -8.062 1.604 -7.595 1.00 1.00 N ATOM 548 CA ASN A 110 -9.479 1.478 -7.304 1.00 1.00 C ATOM 549 C ASN A 110 -9.728 0.171 -6.548 1.00 1.00 C ATOM 550 O ASN A 110 -9.042 -0.823 -6.779 1.00 1.00 O ATOM 551 CB ASN A 110 -10.305 1.443 -8.592 1.00 1.00 C ATOM 552 CG ASN A 110 -9.507 0.818 -9.738 1.00 1.00 C ATOM 553 OD1 ASN A 110 -8.445 1.285 -10.115 1.00 1.00 O ATOM 554 ND2 ASN A 110 -10.076 -0.260 -10.268 1.00 1.00 N ATOM 0 H ASN A 110 -7.664 0.826 -8.122 1.00 1.00 H new ATOM 0 HA ASN A 110 -9.777 2.340 -6.707 1.00 1.00 H new ATOM 0 HB2 ASN A 110 -11.219 0.872 -8.427 1.00 1.00 H new ATOM 0 HB3 ASN A 110 -10.606 2.455 -8.863 1.00 1.00 H new ATOM 0 HD21 ASN A 110 -9.622 -0.750 -11.039 1.00 1.00 H new ATOM 0 HD22 ASN A 110 -10.967 -0.598 -9.904 1.00 1.00 H new ATOM 560 N VAL A 111 -10.709 0.217 -5.659 1.00 1.00 N ATOM 561 CA VAL A 111 -11.056 -0.951 -4.867 1.00 1.00 C ATOM 562 C VAL A 111 -10.989 -2.199 -5.750 1.00 1.00 C ATOM 563 O VAL A 111 -11.835 -2.393 -6.622 1.00 1.00 O ATOM 564 CB VAL A 111 -12.426 -0.753 -4.215 1.00 1.00 C ATOM 565 CG1 VAL A 111 -13.078 -2.098 -3.892 1.00 1.00 C ATOM 566 CG2 VAL A 111 -12.316 0.118 -2.962 1.00 1.00 C ATOM 0 H VAL A 111 -11.275 1.044 -5.469 1.00 1.00 H new ATOM 0 HA VAL A 111 -10.341 -1.088 -4.055 1.00 1.00 H new ATOM 0 HB VAL A 111 -13.065 -0.233 -4.929 1.00 1.00 H new ATOM 0 HG11 VAL A 111 -14.050 -1.929 -3.429 1.00 1.00 H new ATOM 0 HG12 VAL A 111 -13.208 -2.670 -4.811 1.00 1.00 H new ATOM 0 HG13 VAL A 111 -12.441 -2.655 -3.205 1.00 1.00 H new ATOM 0 HG21 VAL A 111 -13.304 0.243 -2.518 1.00 1.00 H new ATOM 0 HG22 VAL A 111 -11.653 -0.362 -2.242 1.00 1.00 H new ATOM 0 HG23 VAL A 111 -11.913 1.094 -3.232 1.00 1.00 H new ATOM 576 N GLY A 112 -9.975 -3.012 -5.494 1.00 1.00 N ATOM 577 CA GLY A 112 -9.786 -4.235 -6.255 1.00 1.00 C ATOM 578 C GLY A 112 -8.412 -4.257 -6.927 1.00 1.00 C ATOM 579 O GLY A 112 -8.044 -5.243 -7.564 1.00 1.00 O ATOM 0 H GLY A 112 -9.275 -2.848 -4.770 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -9.886 -5.097 -5.595 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -10.566 -4.321 -7.012 1.00 1.00 H new ATOM 583 N ASP A 113 -7.691 -3.157 -6.762 1.00 1.00 N ATOM 584 CA ASP A 113 -6.365 -3.038 -7.345 1.00 1.00 C ATOM 585 C ASP A 113 -5.313 -3.258 -6.256 1.00 1.00 C ATOM 586 O ASP A 113 -5.428 -2.716 -5.158 1.00 1.00 O ATOM 587 CB ASP A 113 -6.148 -1.645 -7.938 1.00 1.00 C ATOM 588 CG ASP A 113 -6.356 -1.547 -9.451 1.00 1.00 C ATOM 589 OD1 ASP A 113 -7.452 -1.216 -9.926 1.00 1.00 O ATOM 590 OD2 ASP A 113 -5.318 -1.831 -10.163 1.00 1.00 O ATOM 0 H ASP A 113 -8.000 -2.341 -6.233 1.00 1.00 H new ATOM 0 HA ASP A 113 -6.275 -3.784 -8.135 1.00 1.00 H new ATOM 0 HB2 ASP A 113 -6.827 -0.948 -7.447 1.00 1.00 H new ATOM 0 HB3 ASP A 113 -5.134 -1.321 -7.704 1.00 1.00 H new ATOM 595 N THR A 114 -4.309 -4.053 -6.599 1.00 1.00 N ATOM 596 CA THR A 114 -3.238 -4.351 -5.665 1.00 1.00 C ATOM 597 C THR A 114 -2.552 -3.060 -5.211 1.00 1.00 C ATOM 598 O THR A 114 -2.419 -2.116 -5.989 1.00 1.00 O ATOM 599 CB THR A 114 -2.284 -5.340 -6.338 1.00 1.00 C ATOM 600 OG1 THR A 114 -3.123 -6.432 -6.708 1.00 1.00 O ATOM 601 CG2 THR A 114 -1.286 -5.953 -5.354 1.00 1.00 C ATOM 0 H THR A 114 -4.216 -4.499 -7.511 1.00 1.00 H new ATOM 0 HA THR A 114 -3.623 -4.815 -4.757 1.00 1.00 H new ATOM 0 HB THR A 114 -1.741 -4.835 -7.137 1.00 1.00 H new ATOM 0 HG1 THR A 114 -3.439 -6.889 -5.901 1.00 1.00 H new ATOM 0 HG21 THR A 114 -0.633 -6.647 -5.883 1.00 1.00 H new ATOM 0 HG22 THR A 114 -0.686 -5.162 -4.904 1.00 1.00 H new ATOM 0 HG23 THR A 114 -1.827 -6.487 -4.573 1.00 1.00 H new ATOM 609 N LEU A 115 -2.136 -3.059 -3.953 1.00 1.00 N ATOM 610 CA LEU A 115 -1.467 -1.900 -3.386 1.00 1.00 C ATOM 611 C LEU A 115 -0.009 -2.253 -3.087 1.00 1.00 C ATOM 612 O LEU A 115 0.876 -1.408 -3.210 1.00 1.00 O ATOM 613 CB LEU A 115 -2.236 -1.380 -2.171 1.00 1.00 C ATOM 614 CG LEU A 115 -3.109 -0.145 -2.406 1.00 1.00 C ATOM 615 CD1 LEU A 115 -4.122 0.034 -1.275 1.00 1.00 C ATOM 616 CD2 LEU A 115 -2.249 1.103 -2.609 1.00 1.00 C ATOM 0 H LEU A 115 -2.249 -3.843 -3.310 1.00 1.00 H new ATOM 0 HA LEU A 115 -1.455 -1.078 -4.102 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -2.871 -2.183 -1.797 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -1.518 -1.148 -1.384 1.00 1.00 H new ATOM 0 HG LEU A 115 -3.677 -0.297 -3.324 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -4.729 0.919 -1.467 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -4.766 -0.844 -1.221 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -3.594 0.155 -0.329 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -2.894 1.966 -2.774 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -1.637 1.271 -1.723 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -1.602 0.962 -3.475 1.00 1.00 H new ATOM 627 N CYS A 116 0.196 -3.504 -2.701 1.00 1.00 N ATOM 628 CA CYS A 116 1.531 -3.979 -2.383 1.00 1.00 C ATOM 629 C CYS A 116 1.419 -5.410 -1.853 1.00 1.00 C ATOM 630 O CYS A 116 0.340 -6.001 -1.874 1.00 1.00 O ATOM 631 CB CYS A 116 2.239 -3.057 -1.388 1.00 1.00 C ATOM 632 SG CYS A 116 1.040 -2.424 -0.159 1.00 1.00 S ATOM 0 H CYS A 116 -0.540 -4.203 -2.601 1.00 1.00 H new ATOM 0 HA CYS A 116 2.145 -3.973 -3.284 1.00 1.00 H new ATOM 0 HB2 CYS A 116 3.038 -3.599 -0.883 1.00 1.00 H new ATOM 0 HB3 CYS A 116 2.703 -2.225 -1.917 1.00 1.00 H new ATOM 0 HG CYS A 116 1.594 -2.403 1.017 1.00 1.00 H new ATOM 637 N ILE A 117 2.548 -5.926 -1.388 1.00 1.00 N ATOM 638 CA ILE A 117 2.589 -7.277 -0.853 1.00 1.00 C ATOM 639 C ILE A 117 3.159 -7.240 0.566 1.00 1.00 C ATOM 640 O ILE A 117 3.846 -6.292 0.939 1.00 1.00 O ATOM 641 CB ILE A 117 3.353 -8.204 -1.799 1.00 1.00 C ATOM 642 CG1 ILE A 117 2.794 -8.119 -3.222 1.00 1.00 C ATOM 643 CG2 ILE A 117 3.360 -9.641 -1.273 1.00 1.00 C ATOM 644 CD1 ILE A 117 3.217 -9.333 -4.051 1.00 1.00 C ATOM 0 H ILE A 117 3.441 -5.433 -1.371 1.00 1.00 H new ATOM 0 HA ILE A 117 1.583 -7.691 -0.783 1.00 1.00 H new ATOM 0 HB ILE A 117 4.390 -7.870 -1.839 1.00 1.00 H new ATOM 0 HG12 ILE A 117 1.706 -8.060 -3.186 1.00 1.00 H new ATOM 0 HG13 ILE A 117 3.147 -7.206 -3.701 1.00 1.00 H new ATOM 0 HG21 ILE A 117 3.910 -10.279 -1.965 1.00 1.00 H new ATOM 0 HG22 ILE A 117 3.840 -9.668 -0.295 1.00 1.00 H new ATOM 0 HG23 ILE A 117 2.335 -10.001 -1.184 1.00 1.00 H new ATOM 0 HD11 ILE A 117 2.807 -9.247 -5.057 1.00 1.00 H new ATOM 0 HD12 ILE A 117 4.305 -9.375 -4.105 1.00 1.00 H new ATOM 0 HD13 ILE A 117 2.841 -10.242 -3.582 1.00 1.00 H new ATOM 655 N VAL A 118 2.854 -8.287 1.318 1.00 1.00 N ATOM 656 CA VAL A 118 3.327 -8.387 2.689 1.00 1.00 C ATOM 657 C VAL A 118 3.664 -9.846 3.002 1.00 1.00 C ATOM 658 O VAL A 118 2.825 -10.730 2.834 1.00 1.00 O ATOM 659 CB VAL A 118 2.290 -7.795 3.646 1.00 1.00 C ATOM 660 CG1 VAL A 118 2.583 -8.201 5.091 1.00 1.00 C ATOM 661 CG2 VAL A 118 2.224 -6.272 3.507 1.00 1.00 C ATOM 0 H VAL A 118 2.285 -9.074 1.004 1.00 1.00 H new ATOM 0 HA VAL A 118 4.240 -7.806 2.821 1.00 1.00 H new ATOM 0 HB VAL A 118 1.315 -8.200 3.376 1.00 1.00 H new ATOM 0 HG11 VAL A 118 1.831 -7.767 5.750 1.00 1.00 H new ATOM 0 HG12 VAL A 118 2.557 -9.287 5.176 1.00 1.00 H new ATOM 0 HG13 VAL A 118 3.570 -7.838 5.378 1.00 1.00 H new ATOM 0 HG21 VAL A 118 1.480 -5.876 4.198 1.00 1.00 H new ATOM 0 HG22 VAL A 118 3.199 -5.843 3.739 1.00 1.00 H new ATOM 0 HG23 VAL A 118 1.946 -6.012 2.486 1.00 1.00 H new ATOM 671 N GLU A 119 4.893 -10.054 3.452 1.00 1.00 N ATOM 672 CA GLU A 119 5.350 -11.390 3.790 1.00 1.00 C ATOM 673 C GLU A 119 4.919 -11.755 5.211 1.00 1.00 C ATOM 674 O GLU A 119 5.171 -11.004 6.152 1.00 1.00 O ATOM 675 CB GLU A 119 6.867 -11.507 3.629 1.00 1.00 C ATOM 676 CG GLU A 119 7.253 -12.865 3.037 1.00 1.00 C ATOM 677 CD GLU A 119 8.606 -12.788 2.327 1.00 1.00 C ATOM 678 OE1 GLU A 119 8.678 -12.995 1.107 1.00 1.00 O ATOM 679 OE2 GLU A 119 9.607 -12.502 3.089 1.00 1.00 O ATOM 0 H GLU A 119 5.586 -9.319 3.590 1.00 1.00 H new ATOM 0 HA GLU A 119 4.889 -12.096 3.100 1.00 1.00 H new ATOM 0 HB2 GLU A 119 7.230 -10.708 2.983 1.00 1.00 H new ATOM 0 HB3 GLU A 119 7.350 -11.378 4.598 1.00 1.00 H new ATOM 0 HG2 GLU A 119 7.296 -13.612 3.829 1.00 1.00 H new ATOM 0 HG3 GLU A 119 6.487 -13.190 2.333 1.00 1.00 H new ATOM 685 N ALA A 120 4.279 -12.909 5.324 1.00 1.00 N ATOM 686 CA ALA A 120 3.810 -13.383 6.615 1.00 1.00 C ATOM 687 C ALA A 120 3.339 -14.832 6.482 1.00 1.00 C ATOM 688 O ALA A 120 3.177 -15.337 5.372 1.00 1.00 O ATOM 689 CB ALA A 120 2.708 -12.456 7.130 1.00 1.00 C ATOM 0 H ALA A 120 4.074 -13.531 4.542 1.00 1.00 H new ATOM 0 HA ALA A 120 4.618 -13.366 7.346 1.00 1.00 H new ATOM 0 HB1 ALA A 120 2.356 -12.812 8.098 1.00 1.00 H new ATOM 0 HB2 ALA A 120 3.103 -11.446 7.236 1.00 1.00 H new ATOM 0 HB3 ALA A 120 1.878 -12.449 6.423 1.00 1.00 H new ATOM 695 N MET A 121 3.132 -15.462 7.629 1.00 1.00 N ATOM 696 CA MET A 121 2.682 -16.843 7.655 1.00 1.00 C ATOM 697 C MET A 121 3.428 -17.681 6.614 1.00 1.00 C ATOM 698 O MET A 121 2.815 -18.460 5.885 1.00 1.00 O ATOM 699 CB MET A 121 1.180 -16.896 7.372 1.00 1.00 C ATOM 700 CG MET A 121 0.864 -16.347 5.980 1.00 1.00 C ATOM 701 SD MET A 121 -0.832 -16.701 5.554 1.00 1.00 S ATOM 702 CE MET A 121 -1.665 -15.480 6.554 1.00 1.00 C ATOM 0 H MET A 121 3.268 -15.041 8.548 1.00 1.00 H new ATOM 0 HA MET A 121 2.889 -17.255 8.643 1.00 1.00 H new ATOM 0 HB2 MET A 121 0.828 -17.925 7.449 1.00 1.00 H new ATOM 0 HB3 MET A 121 0.644 -16.318 8.125 1.00 1.00 H new ATOM 0 HG2 MET A 121 1.036 -15.271 5.957 1.00 1.00 H new ATOM 0 HG3 MET A 121 1.533 -16.793 5.244 1.00 1.00 H new ATOM 0 HE1 MET A 121 -2.335 -15.979 7.254 1.00 1.00 H new ATOM 0 HE2 MET A 121 -0.928 -14.900 7.109 1.00 1.00 H new ATOM 0 HE3 MET A 121 -2.241 -14.815 5.911 1.00 1.00 H new ATOM 710 N LYS A 122 4.739 -17.494 6.580 1.00 1.00 N ATOM 711 CA LYS A 122 5.574 -18.223 5.640 1.00 1.00 C ATOM 712 C LYS A 122 4.882 -18.268 4.276 1.00 1.00 C ATOM 713 O LYS A 122 4.726 -19.339 3.691 1.00 1.00 O ATOM 714 CB LYS A 122 5.928 -19.603 6.197 1.00 1.00 C ATOM 715 CG LYS A 122 7.441 -19.825 6.197 1.00 1.00 C ATOM 716 CD LYS A 122 8.044 -19.493 7.563 1.00 1.00 C ATOM 717 CE LYS A 122 8.122 -20.741 8.445 1.00 1.00 C ATOM 718 NZ LYS A 122 9.254 -20.636 9.392 1.00 1.00 N ATOM 0 H LYS A 122 5.244 -16.849 7.188 1.00 1.00 H new ATOM 0 HA LYS A 122 6.525 -17.709 5.497 1.00 1.00 H new ATOM 0 HB2 LYS A 122 5.543 -19.698 7.212 1.00 1.00 H new ATOM 0 HB3 LYS A 122 5.444 -20.375 5.599 1.00 1.00 H new ATOM 0 HG2 LYS A 122 7.660 -20.862 5.941 1.00 1.00 H new ATOM 0 HG3 LYS A 122 7.903 -19.203 5.431 1.00 1.00 H new ATOM 0 HD2 LYS A 122 9.041 -19.073 7.432 1.00 1.00 H new ATOM 0 HD3 LYS A 122 7.440 -18.732 8.056 1.00 1.00 H new ATOM 0 HE2 LYS A 122 7.189 -20.863 8.996 1.00 1.00 H new ATOM 0 HE3 LYS A 122 8.242 -21.627 7.822 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 9.293 -21.491 9.983 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 10.143 -20.542 8.861 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 9.123 -19.802 9.999 1.00 1.00 H new ATOM 727 N MET A 123 4.485 -17.093 3.811 1.00 1.00 N ATOM 728 CA MET A 123 3.813 -16.986 2.527 1.00 1.00 C ATOM 729 C MET A 123 3.539 -15.523 2.173 1.00 1.00 C ATOM 730 O MET A 123 3.431 -14.675 3.058 1.00 1.00 O ATOM 731 CB MET A 123 2.490 -17.755 2.578 1.00 1.00 C ATOM 732 CG MET A 123 2.339 -18.664 1.356 1.00 1.00 C ATOM 733 SD MET A 123 1.815 -20.292 1.869 1.00 1.00 S ATOM 734 CE MET A 123 0.400 -20.512 0.802 1.00 1.00 C ATOM 0 H MET A 123 4.616 -16.207 4.300 1.00 1.00 H new ATOM 0 HA MET A 123 4.462 -17.411 1.761 1.00 1.00 H new ATOM 0 HB2 MET A 123 2.447 -18.353 3.488 1.00 1.00 H new ATOM 0 HB3 MET A 123 1.658 -17.052 2.619 1.00 1.00 H new ATOM 0 HG2 MET A 123 1.611 -18.240 0.664 1.00 1.00 H new ATOM 0 HG3 MET A 123 3.287 -18.729 0.821 1.00 1.00 H new ATOM 0 HE1 MET A 123 -0.051 -21.486 0.992 1.00 1.00 H new ATOM 0 HE2 MET A 123 -0.331 -19.728 1.001 1.00 1.00 H new ATOM 0 HE3 MET A 123 0.717 -20.456 -0.239 1.00 1.00 H new ATOM 742 N MET A 124 3.435 -15.271 0.876 1.00 1.00 N ATOM 743 CA MET A 124 3.176 -13.926 0.393 1.00 1.00 C ATOM 744 C MET A 124 1.699 -13.562 0.546 1.00 1.00 C ATOM 745 O MET A 124 0.823 -14.385 0.282 1.00 1.00 O ATOM 746 CB MET A 124 3.577 -13.826 -1.080 1.00 1.00 C ATOM 747 CG MET A 124 2.505 -14.442 -1.982 1.00 1.00 C ATOM 748 SD MET A 124 2.359 -16.190 -1.651 1.00 1.00 S ATOM 749 CE MET A 124 3.244 -16.847 -3.055 1.00 1.00 C ATOM 0 H MET A 124 3.526 -15.976 0.145 1.00 1.00 H new ATOM 0 HA MET A 124 3.765 -13.228 0.987 1.00 1.00 H new ATOM 0 HB2 MET A 124 3.728 -12.781 -1.350 1.00 1.00 H new ATOM 0 HB3 MET A 124 4.527 -14.336 -1.238 1.00 1.00 H new ATOM 0 HG2 MET A 124 1.548 -13.950 -1.811 1.00 1.00 H new ATOM 0 HG3 MET A 124 2.763 -14.282 -3.029 1.00 1.00 H new ATOM 0 HE1 MET A 124 3.249 -17.936 -3.005 1.00 1.00 H new ATOM 0 HE2 MET A 124 2.754 -16.528 -3.975 1.00 1.00 H new ATOM 0 HE3 MET A 124 4.270 -16.479 -3.043 1.00 1.00 H new ATOM 757 N ASN A 125 1.466 -12.330 0.973 1.00 1.00 N ATOM 758 CA ASN A 125 0.109 -11.848 1.165 1.00 1.00 C ATOM 759 C ASN A 125 -0.052 -10.496 0.465 1.00 1.00 C ATOM 760 O ASN A 125 0.466 -9.484 0.935 1.00 1.00 O ATOM 761 CB ASN A 125 -0.201 -11.650 2.650 1.00 1.00 C ATOM 762 CG ASN A 125 0.061 -12.934 3.440 1.00 1.00 C ATOM 763 OD1 ASN A 125 -0.827 -13.731 3.695 1.00 1.00 O ATOM 764 ND2 ASN A 125 1.328 -13.091 3.813 1.00 1.00 N ATOM 0 H ASN A 125 2.195 -11.651 1.192 1.00 1.00 H new ATOM 0 HA ASN A 125 -0.573 -12.590 0.750 1.00 1.00 H new ATOM 0 HB2 ASN A 125 0.412 -10.842 3.049 1.00 1.00 H new ATOM 0 HB3 ASN A 125 -1.242 -11.350 2.771 1.00 1.00 H new ATOM 0 HD21 ASN A 125 1.605 -13.916 4.345 1.00 1.00 H new ATOM 0 HD22 ASN A 125 2.023 -12.386 3.567 1.00 1.00 H new ATOM 770 N GLN A 126 -0.771 -10.524 -0.648 1.00 1.00 N ATOM 771 CA GLN A 126 -1.005 -9.314 -1.417 1.00 1.00 C ATOM 772 C GLN A 126 -2.116 -8.482 -0.771 1.00 1.00 C ATOM 773 O GLN A 126 -3.048 -9.031 -0.185 1.00 1.00 O ATOM 774 CB GLN A 126 -1.344 -9.645 -2.871 1.00 1.00 C ATOM 775 CG GLN A 126 -1.740 -8.385 -3.643 1.00 1.00 C ATOM 776 CD GLN A 126 -2.356 -8.742 -4.997 1.00 1.00 C ATOM 777 OE1 GLN A 126 -3.535 -8.546 -5.243 1.00 1.00 O ATOM 778 NE2 GLN A 126 -1.495 -9.276 -5.860 1.00 1.00 N ATOM 0 H GLN A 126 -1.199 -11.365 -1.035 1.00 1.00 H new ATOM 0 HA GLN A 126 -0.088 -8.724 -1.418 1.00 1.00 H new ATOM 0 HB2 GLN A 126 -0.485 -10.114 -3.350 1.00 1.00 H new ATOM 0 HB3 GLN A 126 -2.160 -10.367 -2.902 1.00 1.00 H new ATOM 0 HG2 GLN A 126 -2.453 -7.804 -3.057 1.00 1.00 H new ATOM 0 HG3 GLN A 126 -0.863 -7.756 -3.793 1.00 1.00 H new ATOM 0 HE21 GLN A 126 -0.521 -9.413 -5.590 1.00 1.00 H new ATOM 0 HE22 GLN A 126 -1.809 -9.548 -6.791 1.00 1.00 H new ATOM 785 N ILE A 127 -1.979 -7.170 -0.899 1.00 1.00 N ATOM 786 CA ILE A 127 -2.959 -6.257 -0.336 1.00 1.00 C ATOM 787 C ILE A 127 -3.760 -5.612 -1.469 1.00 1.00 C ATOM 788 O ILE A 127 -3.204 -4.891 -2.296 1.00 1.00 O ATOM 789 CB ILE A 127 -2.278 -5.245 0.589 1.00 1.00 C ATOM 790 CG1 ILE A 127 -1.168 -5.909 1.405 1.00 1.00 C ATOM 791 CG2 ILE A 127 -3.303 -4.542 1.480 1.00 1.00 C ATOM 792 CD1 ILE A 127 -0.803 -5.060 2.625 1.00 1.00 C ATOM 0 H ILE A 127 -1.204 -6.718 -1.384 1.00 1.00 H new ATOM 0 HA ILE A 127 -3.670 -6.799 0.288 1.00 1.00 H new ATOM 0 HB ILE A 127 -1.809 -4.479 -0.028 1.00 1.00 H new ATOM 0 HG12 ILE A 127 -1.492 -6.898 1.729 1.00 1.00 H new ATOM 0 HG13 ILE A 127 -0.287 -6.051 0.779 1.00 1.00 H new ATOM 0 HG21 ILE A 127 -2.794 -3.828 2.127 1.00 1.00 H new ATOM 0 HG22 ILE A 127 -4.026 -4.015 0.857 1.00 1.00 H new ATOM 0 HG23 ILE A 127 -3.821 -5.281 2.091 1.00 1.00 H new ATOM 0 HD11 ILE A 127 -0.012 -5.554 3.188 1.00 1.00 H new ATOM 0 HD12 ILE A 127 -0.457 -4.080 2.296 1.00 1.00 H new ATOM 0 HD13 ILE A 127 -1.680 -4.940 3.261 1.00 1.00 H new ATOM 803 N GLU A 128 -5.054 -5.897 -1.471 1.00 1.00 N ATOM 804 CA GLU A 128 -5.938 -5.355 -2.489 1.00 1.00 C ATOM 805 C GLU A 128 -6.623 -4.087 -1.977 1.00 1.00 C ATOM 806 O GLU A 128 -7.414 -4.141 -1.036 1.00 1.00 O ATOM 807 CB GLU A 128 -6.969 -6.395 -2.931 1.00 1.00 C ATOM 808 CG GLU A 128 -8.032 -5.764 -3.833 1.00 1.00 C ATOM 809 CD GLU A 128 -9.382 -5.685 -3.116 1.00 1.00 C ATOM 810 OE1 GLU A 128 -10.126 -4.711 -3.303 1.00 1.00 O ATOM 811 OE2 GLU A 128 -9.647 -6.682 -2.343 1.00 1.00 O ATOM 0 H GLU A 128 -5.511 -6.496 -0.784 1.00 1.00 H new ATOM 0 HA GLU A 128 -5.338 -5.094 -3.361 1.00 1.00 H new ATOM 0 HB2 GLU A 128 -6.469 -7.204 -3.463 1.00 1.00 H new ATOM 0 HB3 GLU A 128 -7.445 -6.836 -2.055 1.00 1.00 H new ATOM 0 HG2 GLU A 128 -7.715 -4.764 -4.131 1.00 1.00 H new ATOM 0 HG3 GLU A 128 -8.135 -6.351 -4.746 1.00 1.00 H new ATOM 817 N ALA A 129 -6.295 -2.974 -2.617 1.00 1.00 N ATOM 818 CA ALA A 129 -6.869 -1.695 -2.237 1.00 1.00 C ATOM 819 C ALA A 129 -8.352 -1.882 -1.912 1.00 1.00 C ATOM 820 O ALA A 129 -9.080 -2.526 -2.666 1.00 1.00 O ATOM 821 CB ALA A 129 -6.642 -0.680 -3.360 1.00 1.00 C ATOM 0 H ALA A 129 -5.639 -2.932 -3.397 1.00 1.00 H new ATOM 0 HA ALA A 129 -6.382 -1.307 -1.342 1.00 1.00 H new ATOM 0 HB1 ALA A 129 -7.073 0.280 -3.075 1.00 1.00 H new ATOM 0 HB2 ALA A 129 -5.572 -0.561 -3.532 1.00 1.00 H new ATOM 0 HB3 ALA A 129 -7.119 -1.035 -4.273 1.00 1.00 H new ATOM 827 N ASP A 130 -8.755 -1.310 -0.788 1.00 1.00 N ATOM 828 CA ASP A 130 -10.139 -1.405 -0.353 1.00 1.00 C ATOM 829 C ASP A 130 -10.750 -0.005 -0.299 1.00 1.00 C ATOM 830 O ASP A 130 -11.816 0.190 0.284 1.00 1.00 O ATOM 831 CB ASP A 130 -10.235 -2.018 1.046 1.00 1.00 C ATOM 832 CG ASP A 130 -10.198 -3.546 1.087 1.00 1.00 C ATOM 833 OD1 ASP A 130 -10.590 -4.221 0.123 1.00 1.00 O ATOM 834 OD2 ASP A 130 -9.735 -4.051 2.180 1.00 1.00 O ATOM 0 H ASP A 130 -8.148 -0.779 -0.164 1.00 1.00 H new ATOM 0 HA ASP A 130 -10.673 -2.038 -1.062 1.00 1.00 H new ATOM 0 HB2 ASP A 130 -9.414 -1.634 1.652 1.00 1.00 H new ATOM 0 HB3 ASP A 130 -11.161 -1.680 1.512 1.00 1.00 H new ATOM 839 N LYS A 131 -10.050 0.937 -0.915 1.00 1.00 N ATOM 840 CA LYS A 131 -10.511 2.315 -0.945 1.00 1.00 C ATOM 841 C LYS A 131 -9.734 3.085 -2.014 1.00 1.00 C ATOM 842 O LYS A 131 -8.654 3.611 -1.744 1.00 1.00 O ATOM 843 CB LYS A 131 -10.423 2.939 0.449 1.00 1.00 C ATOM 844 CG LYS A 131 -11.606 3.873 0.707 1.00 1.00 C ATOM 845 CD LYS A 131 -11.130 5.307 0.951 1.00 1.00 C ATOM 846 CE LYS A 131 -12.317 6.254 1.140 1.00 1.00 C ATOM 847 NZ LYS A 131 -12.882 6.112 2.500 1.00 1.00 N ATOM 0 H LYS A 131 -9.166 0.773 -1.397 1.00 1.00 H new ATOM 0 HA LYS A 131 -11.564 2.359 -1.223 1.00 1.00 H new ATOM 0 HB2 LYS A 131 -10.405 2.152 1.203 1.00 1.00 H new ATOM 0 HB3 LYS A 131 -9.490 3.494 0.545 1.00 1.00 H new ATOM 0 HG2 LYS A 131 -12.284 3.851 -0.146 1.00 1.00 H new ATOM 0 HG3 LYS A 131 -12.170 3.521 1.571 1.00 1.00 H new ATOM 0 HD2 LYS A 131 -10.492 5.337 1.834 1.00 1.00 H new ATOM 0 HD3 LYS A 131 -10.524 5.641 0.109 1.00 1.00 H new ATOM 0 HE2 LYS A 131 -11.998 7.284 0.978 1.00 1.00 H new ATOM 0 HE3 LYS A 131 -13.084 6.038 0.397 1.00 1.00 H new ATOM 0 HZ1 LYS A 131 -13.686 6.762 2.611 1.00 1.00 H new ATOM 0 HZ2 LYS A 131 -13.205 5.134 2.641 1.00 1.00 H new ATOM 0 HZ3 LYS A 131 -12.152 6.341 3.205 1.00 1.00 H new ATOM 856 N SER A 132 -10.311 3.127 -3.205 1.00 1.00 N ATOM 857 CA SER A 132 -9.686 3.824 -4.316 1.00 1.00 C ATOM 858 C SER A 132 -9.035 5.118 -3.822 1.00 1.00 C ATOM 859 O SER A 132 -9.608 5.831 -2.999 1.00 1.00 O ATOM 860 CB SER A 132 -10.703 4.129 -5.417 1.00 1.00 C ATOM 861 OG SER A 132 -11.622 5.147 -5.030 1.00 1.00 O ATOM 0 H SER A 132 -11.206 2.689 -3.425 1.00 1.00 H new ATOM 0 HA SER A 132 -8.918 3.176 -4.738 1.00 1.00 H new ATOM 0 HB2 SER A 132 -10.177 4.440 -6.320 1.00 1.00 H new ATOM 0 HB3 SER A 132 -11.252 3.221 -5.665 1.00 1.00 H new ATOM 0 HG SER A 132 -12.253 5.313 -5.761 1.00 1.00 H new ATOM 866 N GLY A 133 -7.848 5.382 -4.346 1.00 1.00 N ATOM 867 CA GLY A 133 -7.113 6.578 -3.969 1.00 1.00 C ATOM 868 C GLY A 133 -5.900 6.786 -4.879 1.00 1.00 C ATOM 869 O GLY A 133 -5.735 6.077 -5.871 1.00 1.00 O ATOM 0 H GLY A 133 -7.376 4.789 -5.029 1.00 1.00 H new ATOM 0 HA2 GLY A 133 -7.769 7.446 -4.028 1.00 1.00 H new ATOM 0 HA3 GLY A 133 -6.785 6.496 -2.933 1.00 1.00 H new ATOM 873 N THR A 134 -5.084 7.762 -4.509 1.00 1.00 N ATOM 874 CA THR A 134 -3.892 8.073 -5.280 1.00 1.00 C ATOM 875 C THR A 134 -2.664 8.112 -4.369 1.00 1.00 C ATOM 876 O THR A 134 -2.768 8.458 -3.194 1.00 1.00 O ATOM 877 CB THR A 134 -4.139 9.387 -6.024 1.00 1.00 C ATOM 878 OG1 THR A 134 -4.785 8.987 -7.230 1.00 1.00 O ATOM 879 CG2 THR A 134 -2.842 10.045 -6.496 1.00 1.00 C ATOM 0 H THR A 134 -5.225 8.348 -3.686 1.00 1.00 H new ATOM 0 HA THR A 134 -3.686 7.299 -6.019 1.00 1.00 H new ATOM 0 HB THR A 134 -4.679 10.076 -5.375 1.00 1.00 H new ATOM 0 HG1 THR A 134 -5.734 8.819 -7.053 1.00 1.00 H new ATOM 0 HG21 THR A 134 -3.074 10.973 -7.018 1.00 1.00 H new ATOM 0 HG22 THR A 134 -2.209 10.261 -5.635 1.00 1.00 H new ATOM 0 HG23 THR A 134 -2.317 9.370 -7.172 1.00 1.00 H new ATOM 887 N VAL A 135 -1.526 7.752 -4.947 1.00 1.00 N ATOM 888 CA VAL A 135 -0.279 7.742 -4.201 1.00 1.00 C ATOM 889 C VAL A 135 -0.212 8.984 -3.311 1.00 1.00 C ATOM 890 O VAL A 135 -0.930 9.957 -3.540 1.00 1.00 O ATOM 891 CB VAL A 135 0.905 7.633 -5.165 1.00 1.00 C ATOM 892 CG1 VAL A 135 1.022 8.887 -6.034 1.00 1.00 C ATOM 893 CG2 VAL A 135 2.206 7.368 -4.406 1.00 1.00 C ATOM 0 H VAL A 135 -1.442 7.465 -5.922 1.00 1.00 H new ATOM 0 HA VAL A 135 -0.231 6.871 -3.547 1.00 1.00 H new ATOM 0 HB VAL A 135 0.723 6.785 -5.825 1.00 1.00 H new ATOM 0 HG11 VAL A 135 1.871 8.784 -6.710 1.00 1.00 H new ATOM 0 HG12 VAL A 135 0.109 9.013 -6.615 1.00 1.00 H new ATOM 0 HG13 VAL A 135 1.170 9.759 -5.397 1.00 1.00 H new ATOM 0 HG21 VAL A 135 3.032 7.295 -5.114 1.00 1.00 H new ATOM 0 HG22 VAL A 135 2.395 8.186 -3.711 1.00 1.00 H new ATOM 0 HG23 VAL A 135 2.120 6.434 -3.851 1.00 1.00 H new ATOM 903 N LYS A 136 0.657 8.912 -2.313 1.00 1.00 N ATOM 904 CA LYS A 136 0.827 10.018 -1.387 1.00 1.00 C ATOM 905 C LYS A 136 2.254 10.001 -0.835 1.00 1.00 C ATOM 906 O LYS A 136 2.914 11.037 -0.780 1.00 1.00 O ATOM 907 CB LYS A 136 -0.252 9.979 -0.302 1.00 1.00 C ATOM 908 CG LYS A 136 -1.018 11.302 -0.243 1.00 1.00 C ATOM 909 CD LYS A 136 -0.453 12.215 0.847 1.00 1.00 C ATOM 910 CE LYS A 136 -1.068 13.613 0.764 1.00 1.00 C ATOM 911 NZ LYS A 136 -2.431 13.614 1.341 1.00 1.00 N ATOM 0 H LYS A 136 1.251 8.104 -2.126 1.00 1.00 H new ATOM 0 HA LYS A 136 0.695 10.970 -1.902 1.00 1.00 H new ATOM 0 HB2 LYS A 136 -0.945 9.162 -0.503 1.00 1.00 H new ATOM 0 HB3 LYS A 136 0.207 9.777 0.666 1.00 1.00 H new ATOM 0 HG2 LYS A 136 -0.959 11.804 -1.209 1.00 1.00 H new ATOM 0 HG3 LYS A 136 -2.073 11.107 -0.049 1.00 1.00 H new ATOM 0 HD2 LYS A 136 -0.653 11.783 1.828 1.00 1.00 H new ATOM 0 HD3 LYS A 136 0.630 12.283 0.744 1.00 1.00 H new ATOM 0 HE2 LYS A 136 -0.440 14.326 1.299 1.00 1.00 H new ATOM 0 HE3 LYS A 136 -1.106 13.939 -0.275 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 -2.834 14.570 1.277 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 -3.032 12.949 0.814 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 -2.386 13.324 2.339 1.00 1.00 H new ATOM 920 N ALA A 137 2.688 8.813 -0.440 1.00 1.00 N ATOM 921 CA ALA A 137 4.024 8.648 0.105 1.00 1.00 C ATOM 922 C ALA A 137 4.170 7.232 0.666 1.00 1.00 C ATOM 923 O ALA A 137 3.299 6.757 1.395 1.00 1.00 O ATOM 924 CB ALA A 137 4.282 9.723 1.161 1.00 1.00 C ATOM 0 H ALA A 137 2.138 7.956 -0.487 1.00 1.00 H new ATOM 0 HA ALA A 137 4.774 8.772 -0.676 1.00 1.00 H new ATOM 0 HB1 ALA A 137 5.285 9.598 1.570 1.00 1.00 H new ATOM 0 HB2 ALA A 137 4.196 10.709 0.705 1.00 1.00 H new ATOM 0 HB3 ALA A 137 3.549 9.629 1.963 1.00 1.00 H new ATOM 930 N ILE A 138 5.276 6.598 0.307 1.00 1.00 N ATOM 931 CA ILE A 138 5.546 5.246 0.766 1.00 1.00 C ATOM 932 C ILE A 138 6.557 5.295 1.915 1.00 1.00 C ATOM 933 O ILE A 138 7.708 5.684 1.717 1.00 1.00 O ATOM 934 CB ILE A 138 5.984 4.361 -0.402 1.00 1.00 C ATOM 935 CG1 ILE A 138 5.341 4.822 -1.711 1.00 1.00 C ATOM 936 CG2 ILE A 138 5.697 2.886 -0.110 1.00 1.00 C ATOM 937 CD1 ILE A 138 6.179 5.913 -2.380 1.00 1.00 C ATOM 0 H ILE A 138 5.996 6.995 -0.297 1.00 1.00 H new ATOM 0 HA ILE A 138 4.638 4.788 1.159 1.00 1.00 H new ATOM 0 HB ILE A 138 7.063 4.462 -0.521 1.00 1.00 H new ATOM 0 HG12 ILE A 138 5.236 3.973 -2.387 1.00 1.00 H new ATOM 0 HG13 ILE A 138 4.337 5.199 -1.514 1.00 1.00 H new ATOM 0 HG21 ILE A 138 6.018 2.278 -0.956 1.00 1.00 H new ATOM 0 HG22 ILE A 138 6.241 2.580 0.784 1.00 1.00 H new ATOM 0 HG23 ILE A 138 4.628 2.748 0.051 1.00 1.00 H new ATOM 0 HD11 ILE A 138 5.699 6.222 -3.308 1.00 1.00 H new ATOM 0 HD12 ILE A 138 6.262 6.770 -1.711 1.00 1.00 H new ATOM 0 HD13 ILE A 138 7.174 5.525 -2.598 1.00 1.00 H new ATOM 948 N LEU A 139 6.092 4.894 3.088 1.00 1.00 N ATOM 949 CA LEU A 139 6.940 4.887 4.267 1.00 1.00 C ATOM 950 C LEU A 139 7.760 3.595 4.293 1.00 1.00 C ATOM 951 O LEU A 139 8.952 3.619 4.594 1.00 1.00 O ATOM 952 CB LEU A 139 6.106 5.110 5.530 1.00 1.00 C ATOM 953 CG LEU A 139 4.686 5.635 5.311 1.00 1.00 C ATOM 954 CD1 LEU A 139 4.017 5.981 6.643 1.00 1.00 C ATOM 955 CD2 LEU A 139 4.682 6.821 4.344 1.00 1.00 C ATOM 0 H LEU A 139 5.138 4.571 3.247 1.00 1.00 H new ATOM 0 HA LEU A 139 7.648 5.715 4.230 1.00 1.00 H new ATOM 0 HB2 LEU A 139 6.044 4.166 6.072 1.00 1.00 H new ATOM 0 HB3 LEU A 139 6.637 5.812 6.173 1.00 1.00 H new ATOM 0 HG LEU A 139 4.097 4.842 4.851 1.00 1.00 H new ATOM 0 HD11 LEU A 139 3.009 6.352 6.458 1.00 1.00 H new ATOM 0 HD12 LEU A 139 3.967 5.089 7.268 1.00 1.00 H new ATOM 0 HD13 LEU A 139 4.598 6.749 7.153 1.00 1.00 H new ATOM 0 HD21 LEU A 139 3.660 7.175 4.206 1.00 1.00 H new ATOM 0 HD22 LEU A 139 5.292 7.626 4.753 1.00 1.00 H new ATOM 0 HD23 LEU A 139 5.090 6.508 3.383 1.00 1.00 H new ATOM 966 N VAL A 140 7.088 2.499 3.971 1.00 1.00 N ATOM 967 CA VAL A 140 7.739 1.200 3.954 1.00 1.00 C ATOM 968 C VAL A 140 8.560 1.063 2.669 1.00 1.00 C ATOM 969 O VAL A 140 8.312 1.770 1.693 1.00 1.00 O ATOM 970 CB VAL A 140 6.699 0.091 4.121 1.00 1.00 C ATOM 971 CG1 VAL A 140 5.735 0.060 2.932 1.00 1.00 C ATOM 972 CG2 VAL A 140 7.374 -1.268 4.316 1.00 1.00 C ATOM 0 H VAL A 140 6.100 2.484 3.720 1.00 1.00 H new ATOM 0 HA VAL A 140 8.429 1.107 4.792 1.00 1.00 H new ATOM 0 HB VAL A 140 6.118 0.308 5.017 1.00 1.00 H new ATOM 0 HG11 VAL A 140 5.006 -0.737 3.076 1.00 1.00 H new ATOM 0 HG12 VAL A 140 5.217 1.016 2.858 1.00 1.00 H new ATOM 0 HG13 VAL A 140 6.295 -0.121 2.014 1.00 1.00 H new ATOM 0 HG21 VAL A 140 6.612 -2.039 4.432 1.00 1.00 H new ATOM 0 HG22 VAL A 140 7.991 -1.496 3.447 1.00 1.00 H new ATOM 0 HG23 VAL A 140 8.000 -1.239 5.208 1.00 1.00 H new ATOM 982 N GLU A 141 9.517 0.149 2.711 1.00 1.00 N ATOM 983 CA GLU A 141 10.375 -0.089 1.562 1.00 1.00 C ATOM 984 C GLU A 141 10.113 -1.482 0.985 1.00 1.00 C ATOM 985 O GLU A 141 9.535 -2.337 1.655 1.00 1.00 O ATOM 986 CB GLU A 141 11.849 0.082 1.933 1.00 1.00 C ATOM 987 CG GLU A 141 12.308 1.523 1.703 1.00 1.00 C ATOM 988 CD GLU A 141 13.539 1.568 0.794 1.00 1.00 C ATOM 989 OE1 GLU A 141 13.400 1.728 -0.428 1.00 1.00 O ATOM 990 OE2 GLU A 141 14.669 1.431 1.399 1.00 1.00 O ATOM 0 H GLU A 141 9.718 -0.436 3.522 1.00 1.00 H new ATOM 0 HA GLU A 141 10.139 0.651 0.797 1.00 1.00 H new ATOM 0 HB2 GLU A 141 11.998 -0.189 2.978 1.00 1.00 H new ATOM 0 HB3 GLU A 141 12.459 -0.597 1.337 1.00 1.00 H new ATOM 0 HG2 GLU A 141 11.499 2.099 1.254 1.00 1.00 H new ATOM 0 HG3 GLU A 141 12.540 1.992 2.659 1.00 1.00 H new ATOM 996 N SER A 142 10.552 -1.668 -0.251 1.00 1.00 N ATOM 997 CA SER A 142 10.373 -2.942 -0.926 1.00 1.00 C ATOM 998 C SER A 142 11.363 -3.969 -0.376 1.00 1.00 C ATOM 999 O SER A 142 12.491 -4.070 -0.857 1.00 1.00 O ATOM 1000 CB SER A 142 10.547 -2.793 -2.439 1.00 1.00 C ATOM 1001 OG SER A 142 10.352 -4.028 -3.122 1.00 1.00 O ATOM 0 H SER A 142 11.032 -0.957 -0.803 1.00 1.00 H new ATOM 0 HA SER A 142 9.357 -3.289 -0.737 1.00 1.00 H new ATOM 0 HB2 SER A 142 9.838 -2.055 -2.815 1.00 1.00 H new ATOM 0 HB3 SER A 142 11.546 -2.414 -2.654 1.00 1.00 H new ATOM 0 HG SER A 142 10.470 -3.891 -4.085 1.00 1.00 H new ATOM 1006 N GLY A 143 10.907 -4.707 0.626 1.00 1.00 N ATOM 1007 CA GLY A 143 11.739 -5.723 1.247 1.00 1.00 C ATOM 1008 C GLY A 143 11.959 -5.420 2.730 1.00 1.00 C ATOM 1009 O GLY A 143 12.552 -6.223 3.450 1.00 1.00 O ATOM 0 H GLY A 143 9.971 -4.621 1.023 1.00 1.00 H new ATOM 0 HA2 GLY A 143 11.268 -6.700 1.138 1.00 1.00 H new ATOM 0 HA3 GLY A 143 12.700 -5.773 0.736 1.00 1.00 H new ATOM 1013 N GLN A 144 11.472 -4.259 3.143 1.00 1.00 N ATOM 1014 CA GLN A 144 11.608 -3.840 4.528 1.00 1.00 C ATOM 1015 C GLN A 144 10.552 -4.528 5.397 1.00 1.00 C ATOM 1016 O GLN A 144 9.467 -4.854 4.919 1.00 1.00 O ATOM 1017 CB GLN A 144 11.513 -2.318 4.652 1.00 1.00 C ATOM 1018 CG GLN A 144 12.846 -1.721 5.105 1.00 1.00 C ATOM 1019 CD GLN A 144 12.629 -0.615 6.140 1.00 1.00 C ATOM 1020 OE1 GLN A 144 12.593 -0.848 7.338 1.00 1.00 O ATOM 1021 NE2 GLN A 144 12.486 0.597 5.614 1.00 1.00 N ATOM 0 H GLN A 144 10.983 -3.595 2.543 1.00 1.00 H new ATOM 0 HA GLN A 144 12.594 -4.140 4.883 1.00 1.00 H new ATOM 0 HB2 GLN A 144 11.226 -1.889 3.692 1.00 1.00 H new ATOM 0 HB3 GLN A 144 10.732 -2.056 5.365 1.00 1.00 H new ATOM 0 HG2 GLN A 144 13.473 -2.504 5.531 1.00 1.00 H new ATOM 0 HG3 GLN A 144 13.379 -1.318 4.244 1.00 1.00 H new ATOM 0 HE21 GLN A 144 12.527 0.722 4.603 1.00 1.00 H new ATOM 0 HE22 GLN A 144 12.336 1.402 6.222 1.00 1.00 H new ATOM 1028 N PRO A 145 10.919 -4.733 6.691 1.00 1.00 N ATOM 1029 CA PRO A 145 10.015 -5.376 7.630 1.00 1.00 C ATOM 1030 C PRO A 145 8.901 -4.420 8.061 1.00 1.00 C ATOM 1031 O PRO A 145 9.042 -3.204 7.945 1.00 1.00 O ATOM 1032 CB PRO A 145 10.900 -5.817 8.786 1.00 1.00 C ATOM 1033 CG PRO A 145 12.176 -5.000 8.670 1.00 1.00 C ATOM 1034 CD PRO A 145 12.196 -4.360 7.290 1.00 1.00 C ATOM 0 HA PRO A 145 9.493 -6.229 7.196 1.00 1.00 H new ATOM 0 HB2 PRO A 145 10.409 -5.640 9.743 1.00 1.00 H new ATOM 0 HB3 PRO A 145 11.113 -6.884 8.729 1.00 1.00 H new ATOM 0 HG2 PRO A 145 12.212 -4.235 9.446 1.00 1.00 H new ATOM 0 HG3 PRO A 145 13.050 -5.636 8.809 1.00 1.00 H new ATOM 0 HD2 PRO A 145 12.301 -3.277 7.357 1.00 1.00 H new ATOM 0 HD3 PRO A 145 13.034 -4.725 6.696 1.00 1.00 H new ATOM 1039 N VAL A 146 7.819 -5.008 8.549 1.00 1.00 N ATOM 1040 CA VAL A 146 6.679 -4.224 8.998 1.00 1.00 C ATOM 1041 C VAL A 146 6.131 -4.825 10.293 1.00 1.00 C ATOM 1042 O VAL A 146 6.356 -5.999 10.581 1.00 1.00 O ATOM 1043 CB VAL A 146 5.632 -4.139 7.887 1.00 1.00 C ATOM 1044 CG1 VAL A 146 6.283 -3.805 6.543 1.00 1.00 C ATOM 1045 CG2 VAL A 146 4.823 -5.435 7.796 1.00 1.00 C ATOM 0 H VAL A 146 7.707 -6.017 8.644 1.00 1.00 H new ATOM 0 HA VAL A 146 6.982 -3.200 9.218 1.00 1.00 H new ATOM 0 HB VAL A 146 4.945 -3.331 8.136 1.00 1.00 H new ATOM 0 HG11 VAL A 146 5.516 -3.751 5.771 1.00 1.00 H new ATOM 0 HG12 VAL A 146 6.794 -2.845 6.615 1.00 1.00 H new ATOM 0 HG13 VAL A 146 7.003 -4.581 6.285 1.00 1.00 H new ATOM 0 HG21 VAL A 146 4.085 -5.348 6.998 1.00 1.00 H new ATOM 0 HG22 VAL A 146 5.493 -6.268 7.582 1.00 1.00 H new ATOM 0 HG23 VAL A 146 4.314 -5.613 8.743 1.00 1.00 H new ATOM 1055 N GLU A 147 5.421 -3.992 11.041 1.00 1.00 N ATOM 1056 CA GLU A 147 4.838 -4.426 12.298 1.00 1.00 C ATOM 1057 C GLU A 147 3.344 -4.096 12.334 1.00 1.00 C ATOM 1058 O GLU A 147 2.870 -3.267 11.558 1.00 1.00 O ATOM 1059 CB GLU A 147 5.567 -3.797 13.487 1.00 1.00 C ATOM 1060 CG GLU A 147 7.039 -3.542 13.155 1.00 1.00 C ATOM 1061 CD GLU A 147 7.785 -2.979 14.366 1.00 1.00 C ATOM 1062 OE1 GLU A 147 8.519 -1.988 14.236 1.00 1.00 O ATOM 1063 OE2 GLU A 147 7.579 -3.607 15.473 1.00 1.00 O ATOM 0 H GLU A 147 5.237 -3.018 10.799 1.00 1.00 H new ATOM 0 HA GLU A 147 4.953 -5.507 12.374 1.00 1.00 H new ATOM 0 HB2 GLU A 147 5.084 -2.859 13.759 1.00 1.00 H new ATOM 0 HB3 GLU A 147 5.494 -4.456 14.352 1.00 1.00 H new ATOM 0 HG2 GLU A 147 7.509 -4.471 12.834 1.00 1.00 H new ATOM 0 HG3 GLU A 147 7.112 -2.843 12.322 1.00 1.00 H new ATOM 1069 N PHE A 148 2.645 -4.760 13.241 1.00 1.00 N ATOM 1070 CA PHE A 148 1.215 -4.546 13.388 1.00 1.00 C ATOM 1071 C PHE A 148 0.918 -3.118 13.850 1.00 1.00 C ATOM 1072 O PHE A 148 1.530 -2.630 14.799 1.00 1.00 O ATOM 1073 CB PHE A 148 0.723 -5.527 14.455 1.00 1.00 C ATOM 1074 CG PHE A 148 -0.759 -5.379 14.800 1.00 1.00 C ATOM 1075 CD1 PHE A 148 -1.165 -4.396 15.648 1.00 1.00 C ATOM 1076 CD2 PHE A 148 -1.672 -6.230 14.260 1.00 1.00 C ATOM 1077 CE1 PHE A 148 -2.541 -4.258 15.969 1.00 1.00 C ATOM 1078 CE2 PHE A 148 -3.048 -6.092 14.581 1.00 1.00 C ATOM 1079 CZ PHE A 148 -3.454 -5.109 15.429 1.00 1.00 C ATOM 0 H PHE A 148 3.042 -5.447 13.882 1.00 1.00 H new ATOM 0 HA PHE A 148 0.716 -4.701 12.431 1.00 1.00 H new ATOM 0 HB2 PHE A 148 0.905 -6.545 14.110 1.00 1.00 H new ATOM 0 HB3 PHE A 148 1.312 -5.388 15.361 1.00 1.00 H new ATOM 0 HD1 PHE A 148 -0.440 -3.720 16.077 1.00 1.00 H new ATOM 0 HD2 PHE A 148 -1.350 -7.011 13.587 1.00 1.00 H new ATOM 0 HE1 PHE A 148 -2.863 -3.477 16.642 1.00 1.00 H new ATOM 0 HE2 PHE A 148 -3.773 -6.768 14.152 1.00 1.00 H new ATOM 0 HZ PHE A 148 -4.501 -5.004 15.673 1.00 1.00 H new ATOM 1088 N ASP A 149 -0.019 -2.490 13.157 1.00 1.00 N ATOM 1089 CA ASP A 149 -0.405 -1.128 13.485 1.00 1.00 C ATOM 1090 C ASP A 149 0.587 -0.154 12.846 1.00 1.00 C ATOM 1091 O ASP A 149 0.410 1.061 12.926 1.00 1.00 O ATOM 1092 CB ASP A 149 -0.385 -0.897 14.997 1.00 1.00 C ATOM 1093 CG ASP A 149 -1.286 0.237 15.491 1.00 1.00 C ATOM 1094 OD1 ASP A 149 -0.804 1.307 15.889 1.00 1.00 O ATOM 1095 OD2 ASP A 149 -2.550 -0.016 15.455 1.00 1.00 O ATOM 0 H ASP A 149 -0.523 -2.899 12.370 1.00 1.00 H new ATOM 0 HA ASP A 149 -1.415 -0.965 13.109 1.00 1.00 H new ATOM 0 HB2 ASP A 149 -0.683 -1.820 15.494 1.00 1.00 H new ATOM 0 HB3 ASP A 149 0.640 -0.686 15.303 1.00 1.00 H new ATOM 1100 N GLU A 150 1.609 -0.723 12.224 1.00 1.00 N ATOM 1101 CA GLU A 150 2.631 0.079 11.571 1.00 1.00 C ATOM 1102 C GLU A 150 2.163 0.500 10.177 1.00 1.00 C ATOM 1103 O GLU A 150 1.529 -0.280 9.469 1.00 1.00 O ATOM 1104 CB GLU A 150 3.959 -0.677 11.499 1.00 1.00 C ATOM 1105 CG GLU A 150 5.138 0.260 11.767 1.00 1.00 C ATOM 1106 CD GLU A 150 5.862 0.616 10.466 1.00 1.00 C ATOM 1107 OE1 GLU A 150 5.700 -0.085 9.455 1.00 1.00 O ATOM 1108 OE2 GLU A 150 6.614 1.661 10.528 1.00 1.00 O ATOM 0 H GLU A 150 1.752 -1.731 12.158 1.00 1.00 H new ATOM 0 HA GLU A 150 2.795 0.978 12.165 1.00 1.00 H new ATOM 0 HB2 GLU A 150 3.960 -1.487 12.228 1.00 1.00 H new ATOM 0 HB3 GLU A 150 4.069 -1.134 10.515 1.00 1.00 H new ATOM 0 HG2 GLU A 150 4.782 1.170 12.250 1.00 1.00 H new ATOM 0 HG3 GLU A 150 5.835 -0.215 12.457 1.00 1.00 H new ATOM 1114 N PRO A 151 2.503 1.767 9.816 1.00 1.00 N ATOM 1115 CA PRO A 151 2.126 2.301 8.519 1.00 1.00 C ATOM 1116 C PRO A 151 2.996 1.712 7.408 1.00 1.00 C ATOM 1117 O PRO A 151 4.133 1.310 7.652 1.00 1.00 O ATOM 1118 CB PRO A 151 2.275 3.808 8.656 1.00 1.00 C ATOM 1119 CG PRO A 151 3.170 4.029 9.863 1.00 1.00 C ATOM 1120 CD PRO A 151 3.254 2.718 10.629 1.00 1.00 C ATOM 0 HA PRO A 151 1.106 2.039 8.237 1.00 1.00 H new ATOM 0 HB2 PRO A 151 2.716 4.240 7.758 1.00 1.00 H new ATOM 0 HB3 PRO A 151 1.305 4.285 8.796 1.00 1.00 H new ATOM 0 HG2 PRO A 151 4.163 4.351 9.548 1.00 1.00 H new ATOM 0 HG3 PRO A 151 2.766 4.817 10.498 1.00 1.00 H new ATOM 0 HD2 PRO A 151 4.289 2.400 10.757 1.00 1.00 H new ATOM 0 HD3 PRO A 151 2.824 2.813 11.626 1.00 1.00 H new ATOM 1125 N LEU A 152 2.432 1.680 6.210 1.00 1.00 N ATOM 1126 CA LEU A 152 3.142 1.148 5.060 1.00 1.00 C ATOM 1127 C LEU A 152 3.202 2.213 3.964 1.00 1.00 C ATOM 1128 O LEU A 152 4.211 2.902 3.818 1.00 1.00 O ATOM 1129 CB LEU A 152 2.512 -0.170 4.604 1.00 1.00 C ATOM 1130 CG LEU A 152 2.440 -1.279 5.656 1.00 1.00 C ATOM 1131 CD1 LEU A 152 1.757 -2.527 5.090 1.00 1.00 C ATOM 1132 CD2 LEU A 152 3.827 -1.591 6.220 1.00 1.00 C ATOM 0 H LEU A 152 1.489 2.015 6.011 1.00 1.00 H new ATOM 0 HA LEU A 152 4.171 0.907 5.326 1.00 1.00 H new ATOM 0 HB2 LEU A 152 1.501 0.036 4.252 1.00 1.00 H new ATOM 0 HB3 LEU A 152 3.077 -0.543 3.750 1.00 1.00 H new ATOM 0 HG LEU A 152 1.828 -0.924 6.485 1.00 1.00 H new ATOM 0 HD11 LEU A 152 1.718 -3.300 5.857 1.00 1.00 H new ATOM 0 HD12 LEU A 152 0.744 -2.276 4.776 1.00 1.00 H new ATOM 0 HD13 LEU A 152 2.322 -2.894 4.233 1.00 1.00 H new ATOM 0 HD21 LEU A 152 3.747 -2.382 6.965 1.00 1.00 H new ATOM 0 HD22 LEU A 152 4.483 -1.917 5.413 1.00 1.00 H new ATOM 0 HD23 LEU A 152 4.241 -0.696 6.684 1.00 1.00 H new ATOM 1143 N VAL A 153 2.110 2.315 3.222 1.00 1.00 N ATOM 1144 CA VAL A 153 2.025 3.285 2.143 1.00 1.00 C ATOM 1145 C VAL A 153 0.940 4.312 2.471 1.00 1.00 C ATOM 1146 O VAL A 153 -0.120 3.958 2.982 1.00 1.00 O ATOM 1147 CB VAL A 153 1.788 2.568 0.813 1.00 1.00 C ATOM 1148 CG1 VAL A 153 2.062 3.501 -0.369 1.00 1.00 C ATOM 1149 CG2 VAL A 153 2.635 1.297 0.715 1.00 1.00 C ATOM 0 H VAL A 153 1.276 1.742 3.346 1.00 1.00 H new ATOM 0 HA VAL A 153 2.965 3.827 2.041 1.00 1.00 H new ATOM 0 HB VAL A 153 0.739 2.275 0.774 1.00 1.00 H new ATOM 0 HG11 VAL A 153 1.886 2.967 -1.303 1.00 1.00 H new ATOM 0 HG12 VAL A 153 1.397 4.363 -0.314 1.00 1.00 H new ATOM 0 HG13 VAL A 153 3.098 3.838 -0.334 1.00 1.00 H new ATOM 0 HG21 VAL A 153 2.447 0.807 -0.240 1.00 1.00 H new ATOM 0 HG22 VAL A 153 3.691 1.557 0.788 1.00 1.00 H new ATOM 0 HG23 VAL A 153 2.371 0.620 1.528 1.00 1.00 H new ATOM 1159 N VAL A 154 1.243 5.564 2.162 1.00 1.00 N ATOM 1160 CA VAL A 154 0.307 6.646 2.417 1.00 1.00 C ATOM 1161 C VAL A 154 -0.365 7.052 1.104 1.00 1.00 C ATOM 1162 O VAL A 154 0.304 7.480 0.166 1.00 1.00 O ATOM 1163 CB VAL A 154 1.025 7.808 3.106 1.00 1.00 C ATOM 1164 CG1 VAL A 154 0.072 8.984 3.333 1.00 1.00 C ATOM 1165 CG2 VAL A 154 1.663 7.356 4.422 1.00 1.00 C ATOM 0 H VAL A 154 2.124 5.854 1.737 1.00 1.00 H new ATOM 0 HA VAL A 154 -0.479 6.319 3.097 1.00 1.00 H new ATOM 0 HB VAL A 154 1.824 8.147 2.446 1.00 1.00 H new ATOM 0 HG11 VAL A 154 0.607 9.797 3.824 1.00 1.00 H new ATOM 0 HG12 VAL A 154 -0.313 9.331 2.374 1.00 1.00 H new ATOM 0 HG13 VAL A 154 -0.758 8.663 3.963 1.00 1.00 H new ATOM 0 HG21 VAL A 154 2.167 8.201 4.891 1.00 1.00 H new ATOM 0 HG22 VAL A 154 0.889 6.978 5.090 1.00 1.00 H new ATOM 0 HG23 VAL A 154 2.388 6.567 4.223 1.00 1.00 H new ATOM 1175 N ILE A 155 -1.683 6.904 1.081 1.00 1.00 N ATOM 1176 CA ILE A 155 -2.453 7.250 -0.100 1.00 1.00 C ATOM 1177 C ILE A 155 -3.176 8.578 0.139 1.00 1.00 C ATOM 1178 O ILE A 155 -3.321 9.013 1.279 1.00 1.00 O ATOM 1179 CB ILE A 155 -3.387 6.102 -0.487 1.00 1.00 C ATOM 1180 CG1 ILE A 155 -2.610 4.959 -1.142 1.00 1.00 C ATOM 1181 CG2 ILE A 155 -4.531 6.599 -1.372 1.00 1.00 C ATOM 1182 CD1 ILE A 155 -1.808 5.461 -2.345 1.00 1.00 C ATOM 0 H ILE A 155 -2.235 6.549 1.862 1.00 1.00 H new ATOM 0 HA ILE A 155 -1.793 7.395 -0.956 1.00 1.00 H new ATOM 0 HB ILE A 155 -3.835 5.705 0.424 1.00 1.00 H new ATOM 0 HG12 ILE A 155 -1.936 4.508 -0.414 1.00 1.00 H new ATOM 0 HG13 ILE A 155 -3.302 4.180 -1.461 1.00 1.00 H new ATOM 0 HG21 ILE A 155 -5.180 5.762 -1.632 1.00 1.00 H new ATOM 0 HG22 ILE A 155 -5.107 7.351 -0.833 1.00 1.00 H new ATOM 0 HG23 ILE A 155 -4.123 7.038 -2.282 1.00 1.00 H new ATOM 0 HD11 ILE A 155 -1.265 4.629 -2.793 1.00 1.00 H new ATOM 0 HD12 ILE A 155 -2.487 5.889 -3.082 1.00 1.00 H new ATOM 0 HD13 ILE A 155 -1.100 6.223 -2.018 1.00 1.00 H new ATOM 1193 N GLU A 156 -3.610 9.183 -0.957 1.00 1.00 N ATOM 1194 CA GLU A 156 -4.314 10.453 -0.881 1.00 1.00 C ATOM 1195 C GLU A 156 -5.821 10.233 -1.032 1.00 1.00 C ATOM 1196 O GLU A 156 -6.475 9.739 -0.114 1.00 1.00 O ATOM 1197 CB GLU A 156 -3.795 11.432 -1.934 1.00 1.00 C ATOM 1198 CG GLU A 156 -4.467 11.190 -3.288 1.00 1.00 C ATOM 1199 CD GLU A 156 -5.484 12.290 -3.599 1.00 1.00 C ATOM 1200 OE1 GLU A 156 -5.093 13.423 -3.917 1.00 1.00 O ATOM 1201 OE2 GLU A 156 -6.719 11.933 -3.504 1.00 1.00 O ATOM 0 H GLU A 156 -3.488 8.818 -1.902 1.00 1.00 H new ATOM 0 HA GLU A 156 -4.126 10.892 0.099 1.00 1.00 H new ATOM 0 HB2 GLU A 156 -3.983 12.455 -1.608 1.00 1.00 H new ATOM 0 HB3 GLU A 156 -2.715 11.323 -2.036 1.00 1.00 H new ATOM 0 HG2 GLU A 156 -3.711 11.156 -4.072 1.00 1.00 H new ATOM 0 HG3 GLU A 156 -4.965 10.220 -3.283 1.00 1.00 H new