USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 569 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 Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= -0.0023 (180deg=-0.137) USER MOD Single : A 107 TYR OH : rot 87:sc= 0.812 USER MOD Single : A 108 GLN :FLIP amide:sc= -0.0621 F(o=-1.1,f=-0.062) USER MOD Single : A 110 LYS NZ :NH3+ 170:sc=-0.00438 (180deg=-0.117) USER MOD Single : A 113 SER OG : rot -79:sc= 0.729 USER MOD Single : A 123 LYS NZ :NH3+ -163:sc= -0.0172 (180deg=-0.458) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 169 GLN :FLIP amide:sc= -0.09 F(o=-0.6,f=-0.09) USER MOD Single : A 170 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 172 MET CE :methyl -171:sc= -0.904 (180deg=-0.996) USER MOD Single : A 177 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0721) USER MOD ----------------------------------------------------------------- ATOM 35 N GLN A 92 -0.664 12.527 9.448 1.00 0.00 N ATOM 36 CA GLN A 92 0.677 12.408 8.962 1.00 0.00 C ATOM 37 C GLN A 92 0.616 11.552 7.756 1.00 0.00 C ATOM 38 O GLN A 92 -0.399 10.906 7.521 1.00 0.00 O ATOM 39 CB GLN A 92 1.579 11.699 9.972 1.00 0.00 C ATOM 40 CG GLN A 92 1.400 12.217 11.402 1.00 0.00 C ATOM 41 CD GLN A 92 1.786 13.691 11.488 1.00 0.00 C ATOM 42 OE1 GLN A 92 2.953 14.067 11.327 1.00 0.00 O ATOM 43 NE2 GLN A 92 0.747 14.539 11.758 1.00 0.00 N ATOM 0 HA GLN A 92 1.079 13.403 8.770 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.369 10.630 9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.620 11.826 9.673 1.00 0.00 H new ATOM 0 HG2 GLN A 92 0.364 12.087 11.715 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.015 11.633 12.086 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.195 14.168 11.881 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.915 15.542 11.836 1.00 0.00 H new ATOM 52 N VAL A 93 1.713 11.500 6.981 1.00 0.00 N ATOM 53 CA VAL A 93 1.881 10.403 6.076 1.00 0.00 C ATOM 54 C VAL A 93 2.748 9.424 6.783 1.00 0.00 C ATOM 55 O VAL A 93 3.861 9.794 7.159 1.00 0.00 O ATOM 56 CB VAL A 93 2.463 10.748 4.728 1.00 0.00 C ATOM 57 CG1 VAL A 93 2.825 9.458 3.986 1.00 0.00 C ATOM 58 CG2 VAL A 93 1.317 11.309 3.898 1.00 0.00 C ATOM 0 H VAL A 93 2.462 12.192 6.977 1.00 0.00 H new ATOM 0 HA VAL A 93 0.894 10.013 5.828 1.00 0.00 H new ATOM 0 HB VAL A 93 3.317 11.413 4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.246 9.705 3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.558 8.898 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.929 8.852 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.683 11.577 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.533 10.557 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.913 12.195 4.388 1.00 0.00 H new ATOM 68 N LYS A 94 2.294 8.146 6.951 1.00 0.00 N ATOM 69 CA LYS A 94 3.301 7.144 7.236 1.00 0.00 C ATOM 70 C LYS A 94 3.503 6.406 5.983 1.00 0.00 C ATOM 71 O LYS A 94 2.776 6.622 5.025 1.00 0.00 O ATOM 72 CB LYS A 94 2.935 6.112 8.288 1.00 0.00 C ATOM 73 CG LYS A 94 2.315 6.773 9.513 1.00 0.00 C ATOM 74 CD LYS A 94 3.280 7.632 10.345 1.00 0.00 C ATOM 75 CE LYS A 94 4.321 6.806 11.106 1.00 0.00 C ATOM 76 NZ LYS A 94 5.150 7.690 11.953 1.00 0.00 N ATOM 0 H LYS A 94 1.326 7.829 6.896 1.00 0.00 H new ATOM 0 HA LYS A 94 4.169 7.677 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.235 5.391 7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.826 5.557 8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.484 7.398 9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.898 5.997 10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.793 8.332 9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.706 8.226 11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.823 6.059 11.724 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.954 6.266 10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.853 7.120 12.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.638 8.386 11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.542 8.186 12.636 1.00 0.00 H new ATOM 90 N GLU A 95 4.505 5.521 5.947 1.00 0.00 N ATOM 91 CA GLU A 95 4.775 4.827 4.739 1.00 0.00 C ATOM 92 C GLU A 95 5.206 3.447 5.083 1.00 0.00 C ATOM 93 O GLU A 95 5.839 3.215 6.111 1.00 0.00 O ATOM 94 CB GLU A 95 5.917 5.500 3.996 1.00 0.00 C ATOM 95 CG GLU A 95 6.169 5.069 2.544 1.00 0.00 C ATOM 96 CD GLU A 95 7.384 5.824 2.023 1.00 0.00 C ATOM 97 OE1 GLU A 95 7.331 7.081 1.982 1.00 0.00 O ATOM 98 OE2 GLU A 95 8.380 5.147 1.651 1.00 0.00 O ATOM 0 H GLU A 95 5.114 5.290 6.732 1.00 0.00 H new ATOM 0 HA GLU A 95 3.881 4.824 4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.735 6.575 4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.833 5.329 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.340 3.994 2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.296 5.284 1.928 1.00 0.00 H new ATOM 105 N ILE A 96 4.873 2.507 4.186 1.00 0.00 N ATOM 106 CA ILE A 96 5.340 1.153 4.257 1.00 0.00 C ATOM 107 C ILE A 96 5.814 0.904 2.861 1.00 0.00 C ATOM 108 O ILE A 96 5.403 1.631 1.959 1.00 0.00 O ATOM 109 CB ILE A 96 4.227 0.209 4.696 1.00 0.00 C ATOM 110 CG1 ILE A 96 4.713 -0.967 5.569 1.00 0.00 C ATOM 111 CG2 ILE A 96 3.418 -0.309 3.505 1.00 0.00 C ATOM 112 CD1 ILE A 96 5.305 -0.563 6.921 1.00 0.00 C ATOM 0 H ILE A 96 4.263 2.688 3.389 1.00 0.00 H new ATOM 0 HA ILE A 96 6.124 0.985 4.995 1.00 0.00 H new ATOM 0 HB ILE A 96 3.576 0.815 5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.875 -1.642 5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.464 -1.528 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.635 -0.978 3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.966 0.532 2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.077 -0.850 2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.618 -1.456 7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.166 0.086 6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.553 -0.031 7.503 1.00 0.00 H new ATOM 124 N LYS A 97 6.674 -0.116 2.634 1.00 0.00 N ATOM 125 CA LYS A 97 6.872 -0.588 1.287 1.00 0.00 C ATOM 126 C LYS A 97 6.353 -1.974 1.174 1.00 0.00 C ATOM 127 O LYS A 97 6.307 -2.706 2.161 1.00 0.00 O ATOM 128 CB LYS A 97 8.301 -0.636 0.750 1.00 0.00 C ATOM 129 CG LYS A 97 8.983 0.735 0.724 1.00 0.00 C ATOM 130 CD LYS A 97 10.348 0.711 0.027 1.00 0.00 C ATOM 131 CE LYS A 97 11.019 2.087 -0.037 1.00 0.00 C ATOM 132 NZ LYS A 97 10.227 3.014 -0.877 1.00 0.00 N ATOM 0 H LYS A 97 7.214 -0.599 3.352 1.00 0.00 H new ATOM 0 HA LYS A 97 6.346 0.159 0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.890 -1.316 1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.289 -1.048 -0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.334 1.448 0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.109 1.091 1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.005 0.018 0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.225 0.327 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.120 2.495 0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.025 1.988 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.782 3.874 -1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.993 2.552 -1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.349 3.268 -0.381 1.00 0.00 H new ATOM 146 N PHE A 98 5.963 -2.360 -0.061 1.00 0.00 N ATOM 147 CA PHE A 98 5.514 -3.686 -0.336 1.00 0.00 C ATOM 148 C PHE A 98 6.134 -4.097 -1.619 1.00 0.00 C ATOM 149 O PHE A 98 6.071 -3.378 -2.613 1.00 0.00 O ATOM 150 CB PHE A 98 4.001 -3.750 -0.517 1.00 0.00 C ATOM 151 CG PHE A 98 3.316 -3.806 0.792 1.00 0.00 C ATOM 152 CD1 PHE A 98 3.684 -4.490 1.938 1.00 0.00 C ATOM 153 CD2 PHE A 98 2.136 -3.157 0.771 1.00 0.00 C ATOM 154 CE1 PHE A 98 2.924 -4.368 3.088 1.00 0.00 C ATOM 155 CE2 PHE A 98 1.385 -3.001 1.904 1.00 0.00 C ATOM 156 CZ PHE A 98 1.748 -3.649 3.068 1.00 0.00 C ATOM 0 H PHE A 98 5.961 -1.742 -0.872 1.00 0.00 H new ATOM 0 HA PHE A 98 5.788 -4.330 0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.660 -2.877 -1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.738 -4.628 -1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.563 -5.118 1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.774 -2.750 -0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.253 -4.837 4.003 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.508 -2.371 1.888 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.122 -3.594 3.946 1.00 0.00 H new ATOM 166 N ARG A 99 6.743 -5.295 -1.607 1.00 0.00 N ATOM 167 CA ARG A 99 7.382 -5.874 -2.738 1.00 0.00 C ATOM 168 C ARG A 99 6.387 -6.653 -3.573 1.00 0.00 C ATOM 169 O ARG A 99 5.220 -6.748 -3.197 1.00 0.00 O ATOM 170 CB ARG A 99 8.507 -6.787 -2.198 1.00 0.00 C ATOM 171 CG ARG A 99 8.056 -7.986 -1.347 1.00 0.00 C ATOM 172 CD ARG A 99 9.096 -9.110 -1.307 1.00 0.00 C ATOM 173 NE ARG A 99 9.160 -9.686 -2.683 1.00 0.00 N ATOM 174 CZ ARG A 99 9.839 -10.841 -2.941 1.00 0.00 C ATOM 175 NH1 ARG A 99 10.500 -11.493 -1.941 1.00 0.00 N ATOM 176 NH2 ARG A 99 9.864 -11.340 -4.212 1.00 0.00 N ATOM 0 H ARG A 99 6.790 -5.881 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 99 7.798 -5.107 -3.390 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.079 -7.164 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.186 -6.178 -1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.853 -7.649 -0.331 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.120 -8.377 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 99 10.070 -8.726 -1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.814 -9.873 -0.581 1.00 0.00 H new ATOM 0 HE ARG A 99 8.685 -9.205 -3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.489 -11.117 -0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.005 -12.356 -2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.377 -10.850 -4.962 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.370 -12.203 -4.411 1.00 0.00 H new ATOM 259 N ASP A 106 5.200 -12.223 5.778 1.00 0.00 N ATOM 260 CA ASP A 106 6.099 -11.147 5.537 1.00 0.00 C ATOM 261 C ASP A 106 5.278 -9.929 5.382 1.00 0.00 C ATOM 262 O ASP A 106 5.644 -8.850 5.849 1.00 0.00 O ATOM 263 CB ASP A 106 6.896 -11.334 4.259 1.00 0.00 C ATOM 264 CG ASP A 106 8.081 -10.381 4.212 1.00 0.00 C ATOM 265 OD1 ASP A 106 8.877 -10.367 5.189 1.00 0.00 O ATOM 266 OD2 ASP A 106 8.213 -9.657 3.189 1.00 0.00 O ATOM 0 HA ASP A 106 6.805 -11.089 6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 106 7.249 -12.363 4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 106 6.252 -11.163 3.396 1.00 0.00 H new ATOM 271 N TYR A 107 4.167 -10.096 4.641 1.00 0.00 N ATOM 272 CA TYR A 107 3.509 -8.951 4.080 1.00 0.00 C ATOM 273 C TYR A 107 2.523 -8.442 5.058 1.00 0.00 C ATOM 274 O TYR A 107 2.620 -7.286 5.443 1.00 0.00 O ATOM 275 CB TYR A 107 2.815 -9.465 2.829 1.00 0.00 C ATOM 276 CG TYR A 107 1.985 -8.628 1.967 1.00 0.00 C ATOM 277 CD1 TYR A 107 1.677 -7.307 2.189 1.00 0.00 C ATOM 278 CD2 TYR A 107 1.283 -9.390 1.060 1.00 0.00 C ATOM 279 CE1 TYR A 107 0.493 -6.822 1.695 1.00 0.00 C ATOM 280 CE2 TYR A 107 0.209 -8.845 0.402 1.00 0.00 C ATOM 281 CZ TYR A 107 -0.211 -7.594 0.805 1.00 0.00 C ATOM 282 OH TYR A 107 -1.441 -7.116 0.402 1.00 0.00 O ATOM 0 H TYR A 107 3.732 -10.995 4.433 1.00 0.00 H new ATOM 0 HA TYR A 107 4.193 -8.136 3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.597 -9.881 2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.186 -10.297 3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 107 2.351 -6.667 2.739 1.00 0.00 H new ATOM 0 HD2 TYR A 107 1.576 -10.411 0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 107 0.123 -5.854 2.000 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -0.287 -9.374 -0.398 1.00 0.00 H new ATOM 0 HH TYR A 107 -1.325 -6.525 -0.371 1.00 0.00 H new ATOM 292 N GLN A 108 1.528 -9.267 5.434 1.00 0.00 N ATOM 293 CA GLN A 108 0.553 -9.015 6.428 1.00 0.00 C ATOM 294 C GLN A 108 0.992 -8.791 7.849 1.00 0.00 C ATOM 295 O GLN A 108 0.214 -8.303 8.669 1.00 0.00 O ATOM 296 CB GLN A 108 -0.666 -9.931 6.310 1.00 0.00 C ATOM 297 CG GLN A 108 -0.820 -10.779 5.034 1.00 0.00 C ATOM 298 CD GLN A 108 -1.644 -9.986 4.018 1.00 0.00 C ATOM 299 OE1 GLN A 108 -1.097 -8.803 3.611 1.00 0.00 O flip ATOM 300 NE2 GLN A 108 -2.732 -10.410 3.609 1.00 0.00 N flip ATOM 0 H GLN A 108 1.405 -10.182 5.001 1.00 0.00 H new ATOM 0 HA GLN A 108 0.256 -8.001 6.161 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.655 -10.611 7.162 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -1.558 -9.312 6.408 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.159 -11.022 4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.312 -11.724 5.265 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -3.092 -11.302 3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -3.269 -9.868 2.932 1.00 0.00 H new ATOM 309 N VAL A 109 2.267 -9.103 8.142 1.00 0.00 N ATOM 310 CA VAL A 109 2.976 -8.581 9.301 1.00 0.00 C ATOM 311 C VAL A 109 3.045 -7.075 9.217 1.00 0.00 C ATOM 312 O VAL A 109 2.790 -6.354 10.177 1.00 0.00 O ATOM 313 CB VAL A 109 4.389 -9.127 9.443 1.00 0.00 C ATOM 314 CG1 VAL A 109 5.189 -8.422 10.557 1.00 0.00 C ATOM 315 CG2 VAL A 109 4.283 -10.623 9.765 1.00 0.00 C ATOM 0 H VAL A 109 2.831 -9.731 7.569 1.00 0.00 H new ATOM 0 HA VAL A 109 2.413 -8.904 10.177 1.00 0.00 H new ATOM 0 HB VAL A 109 4.922 -8.950 8.509 1.00 0.00 H new ATOM 0 HG11 VAL A 109 6.189 -8.851 10.614 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.263 -7.358 10.334 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.681 -8.558 11.512 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.283 -11.044 9.873 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.731 -10.757 10.695 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.760 -11.133 8.956 1.00 0.00 H new ATOM 325 N LYS A 110 3.436 -6.547 8.048 1.00 0.00 N ATOM 326 CA LYS A 110 3.513 -5.128 7.828 1.00 0.00 C ATOM 327 C LYS A 110 2.278 -4.506 7.289 1.00 0.00 C ATOM 328 O LYS A 110 2.219 -3.297 7.061 1.00 0.00 O ATOM 329 CB LYS A 110 4.700 -4.804 6.955 1.00 0.00 C ATOM 330 CG LYS A 110 6.017 -5.042 7.705 1.00 0.00 C ATOM 331 CD LYS A 110 6.102 -4.653 9.191 1.00 0.00 C ATOM 332 CE LYS A 110 7.459 -4.973 9.825 1.00 0.00 C ATOM 333 NZ LYS A 110 8.526 -4.154 9.214 1.00 0.00 N ATOM 0 H LYS A 110 3.704 -7.107 7.239 1.00 0.00 H new ATOM 0 HA LYS A 110 3.637 -4.686 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.673 -5.420 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.645 -3.765 6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.255 -6.103 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.801 -4.500 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.904 -3.586 9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.320 -5.175 9.741 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.418 -4.785 10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.686 -6.031 9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.402 -4.258 9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.691 -4.472 8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.237 -3.155 9.209 1.00 0.00 H new ATOM 347 N LEU A 111 1.236 -5.328 7.149 1.00 0.00 N ATOM 348 CA LEU A 111 -0.088 -4.851 6.998 1.00 0.00 C ATOM 349 C LEU A 111 -0.566 -4.569 8.381 1.00 0.00 C ATOM 350 O LEU A 111 -1.367 -3.659 8.549 1.00 0.00 O ATOM 351 CB LEU A 111 -0.963 -5.862 6.264 1.00 0.00 C ATOM 352 CG LEU A 111 -2.263 -5.340 5.661 1.00 0.00 C ATOM 353 CD1 LEU A 111 -2.578 -6.125 4.393 1.00 0.00 C ATOM 354 CD2 LEU A 111 -3.443 -5.483 6.623 1.00 0.00 C ATOM 0 H LEU A 111 1.316 -6.345 7.141 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.134 -3.952 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.371 -6.304 5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.210 -6.665 6.959 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.123 -4.281 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.507 -5.756 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.766 -6.000 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.687 -7.182 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.347 -5.098 6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.584 -6.535 6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.241 -4.918 7.533 1.00 0.00 H new ATOM 366 N ARG A 112 -0.073 -5.324 9.401 1.00 0.00 N ATOM 367 CA ARG A 112 -0.237 -4.965 10.785 1.00 0.00 C ATOM 368 C ARG A 112 0.440 -3.653 11.079 1.00 0.00 C ATOM 369 O ARG A 112 -0.156 -2.839 11.799 1.00 0.00 O ATOM 370 CB ARG A 112 0.213 -6.023 11.808 1.00 0.00 C ATOM 371 CG ARG A 112 -0.400 -5.833 13.204 1.00 0.00 C ATOM 372 CD ARG A 112 0.154 -6.829 14.229 1.00 0.00 C ATOM 373 NE ARG A 112 -0.410 -6.491 15.574 1.00 0.00 N ATOM 374 CZ ARG A 112 0.194 -5.598 16.415 1.00 0.00 C ATOM 375 NH1 ARG A 112 1.327 -4.934 16.042 1.00 0.00 N ATOM 376 NH2 ARG A 112 -0.346 -5.365 17.648 1.00 0.00 N ATOM 0 H ARG A 112 0.444 -6.192 9.258 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.316 -4.883 10.913 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.054 -7.012 11.435 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.299 -5.996 11.891 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.205 -4.817 13.548 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.482 -5.946 13.141 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.115 -7.848 13.951 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.243 -6.782 14.252 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.274 -6.942 15.873 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.737 -5.101 15.123 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.764 -4.271 16.683 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.193 -5.856 17.935 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.098 -4.701 18.282 1.00 0.00 H new ATOM 390 N SER A 113 1.682 -3.412 10.534 1.00 0.00 N ATOM 391 CA SER A 113 2.310 -2.135 10.704 1.00 0.00 C ATOM 392 C SER A 113 1.477 -0.986 10.196 1.00 0.00 C ATOM 393 O SER A 113 1.329 0.022 10.878 1.00 0.00 O ATOM 394 CB SER A 113 3.709 -2.039 10.108 1.00 0.00 C ATOM 395 OG SER A 113 4.339 -0.833 10.501 1.00 0.00 O ATOM 0 H SER A 113 2.221 -4.090 9.996 1.00 0.00 H new ATOM 0 HA SER A 113 2.403 -2.051 11.787 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.307 -2.890 10.433 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.651 -2.087 9.021 1.00 0.00 H new ATOM 0 HG SER A 113 3.996 -0.093 9.958 1.00 0.00 H new ATOM 401 N LEU A 114 0.897 -1.133 8.989 1.00 0.00 N ATOM 402 CA LEU A 114 0.000 -0.169 8.402 1.00 0.00 C ATOM 403 C LEU A 114 -1.314 0.025 9.064 1.00 0.00 C ATOM 404 O LEU A 114 -1.865 1.112 8.896 1.00 0.00 O ATOM 405 CB LEU A 114 -0.525 -0.678 7.074 1.00 0.00 C ATOM 406 CG LEU A 114 0.451 -0.479 5.941 1.00 0.00 C ATOM 407 CD1 LEU A 114 -0.152 -1.187 4.737 1.00 0.00 C ATOM 408 CD2 LEU A 114 0.640 1.026 5.763 1.00 0.00 C ATOM 0 H LEU A 114 1.055 -1.949 8.398 1.00 0.00 H new ATOM 0 HA LEU A 114 0.624 0.725 8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.758 -1.739 7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.458 -0.166 6.837 1.00 0.00 H new ATOM 0 HG LEU A 114 1.443 -0.898 6.110 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.513 -1.078 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.280 -2.245 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.121 -0.746 4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.342 1.211 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.319 1.488 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.032 1.455 6.685 1.00 0.00 H new ATOM 420 N ILE A 115 -1.892 -1.003 9.749 1.00 0.00 N ATOM 421 CA ILE A 115 -3.105 -0.779 10.484 1.00 0.00 C ATOM 422 C ILE A 115 -2.828 0.226 11.529 1.00 0.00 C ATOM 423 O ILE A 115 -3.599 1.163 11.692 1.00 0.00 O ATOM 424 CB ILE A 115 -3.719 -1.883 11.312 1.00 0.00 C ATOM 425 CG1 ILE A 115 -3.669 -3.299 10.750 1.00 0.00 C ATOM 426 CG2 ILE A 115 -5.165 -1.435 11.499 1.00 0.00 C ATOM 427 CD1 ILE A 115 -4.393 -3.448 9.432 1.00 0.00 C ATOM 0 H ILE A 115 -1.528 -1.955 9.789 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.791 -0.553 9.668 1.00 0.00 H new ATOM 0 HB ILE A 115 -3.134 -1.993 12.225 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -2.628 -3.593 10.619 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.106 -3.985 11.475 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -5.701 -2.175 12.093 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.185 -0.474 12.013 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -5.644 -1.335 10.525 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.317 -4.480 9.090 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.443 -3.185 9.562 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -3.942 -2.787 8.692 1.00 0.00 H new ATOM 439 N ARG A 116 -1.725 -0.007 12.261 1.00 0.00 N ATOM 440 CA ARG A 116 -1.239 0.775 13.356 1.00 0.00 C ATOM 441 C ARG A 116 -1.087 2.187 12.942 1.00 0.00 C ATOM 442 O ARG A 116 -1.507 3.051 13.701 1.00 0.00 O ATOM 443 CB ARG A 116 0.081 0.239 13.954 1.00 0.00 C ATOM 444 CG ARG A 116 0.463 0.792 15.341 1.00 0.00 C ATOM 445 CD ARG A 116 -0.580 0.549 16.441 1.00 0.00 C ATOM 446 NE ARG A 116 -0.900 -0.909 16.478 1.00 0.00 N ATOM 447 CZ ARG A 116 -2.003 -1.364 17.142 1.00 0.00 C ATOM 448 NH1 ARG A 116 -2.783 -0.501 17.857 1.00 0.00 N ATOM 449 NH2 ARG A 116 -2.334 -2.686 17.082 1.00 0.00 N ATOM 0 H ARG A 116 -1.124 -0.809 12.070 1.00 0.00 H new ATOM 0 HA ARG A 116 -1.983 0.701 14.149 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.012 -0.847 14.023 1.00 0.00 H new ATOM 0 HB3 ARG A 116 0.890 0.463 13.259 1.00 0.00 H new ATOM 0 HG2 ARG A 116 1.407 0.342 15.649 1.00 0.00 H new ATOM 0 HG3 ARG A 116 0.635 1.865 15.254 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -0.195 0.877 17.407 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -1.481 1.130 16.243 1.00 0.00 H new ATOM 0 HE ARG A 116 -0.288 -1.572 16.002 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -2.543 0.490 17.897 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -3.606 -0.847 18.351 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -1.758 -3.332 16.542 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -3.157 -3.029 17.577 1.00 0.00 H new ATOM 463 N PHE A 117 -0.521 2.437 11.735 1.00 0.00 N ATOM 464 CA PHE A 117 -0.371 3.754 11.193 1.00 0.00 C ATOM 465 C PHE A 117 -1.676 4.423 10.945 1.00 0.00 C ATOM 466 O PHE A 117 -1.864 5.578 11.309 1.00 0.00 O ATOM 467 CB PHE A 117 0.245 3.670 9.803 1.00 0.00 C ATOM 468 CG PHE A 117 1.599 3.107 9.826 1.00 0.00 C ATOM 469 CD1 PHE A 117 2.349 2.761 10.929 1.00 0.00 C ATOM 470 CD2 PHE A 117 2.088 2.915 8.573 1.00 0.00 C ATOM 471 CE1 PHE A 117 3.641 2.315 10.757 1.00 0.00 C ATOM 472 CE2 PHE A 117 3.365 2.438 8.382 1.00 0.00 C ATOM 473 CZ PHE A 117 4.159 2.173 9.482 1.00 0.00 C ATOM 0 H PHE A 117 -0.161 1.702 11.126 1.00 0.00 H new ATOM 0 HA PHE A 117 0.229 4.299 11.921 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.390 3.057 9.163 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.276 4.666 9.361 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.927 2.839 11.920 1.00 0.00 H new ATOM 0 HD2 PHE A 117 1.468 3.139 7.718 1.00 0.00 H new ATOM 0 HE1 PHE A 117 4.249 2.076 11.617 1.00 0.00 H new ATOM 0 HE2 PHE A 117 3.742 2.273 7.384 1.00 0.00 H new ATOM 0 HZ PHE A 117 5.182 1.856 9.346 1.00 0.00 H new ATOM 483 N LEU A 118 -2.589 3.700 10.279 1.00 0.00 N ATOM 484 CA LEU A 118 -3.879 4.182 9.923 1.00 0.00 C ATOM 485 C LEU A 118 -4.746 4.561 11.099 1.00 0.00 C ATOM 486 O LEU A 118 -5.449 5.568 11.063 1.00 0.00 O ATOM 487 CB LEU A 118 -4.688 3.153 9.206 1.00 0.00 C ATOM 488 CG LEU A 118 -5.125 3.746 7.881 1.00 0.00 C ATOM 489 CD1 LEU A 118 -4.270 3.235 6.732 1.00 0.00 C ATOM 490 CD2 LEU A 118 -6.607 3.554 7.811 1.00 0.00 C ATOM 0 H LEU A 118 -2.419 2.741 9.977 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.645 5.051 9.309 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -4.100 2.250 9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -5.555 2.867 9.801 1.00 0.00 H new ATOM 0 HG LEU A 118 -4.949 4.818 7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -4.612 3.681 5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.229 3.507 6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.356 2.150 6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -6.983 3.963 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.839 2.490 7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -7.080 4.068 8.647 1.00 0.00 H new ATOM 502 N GLU A 119 -4.744 3.685 12.142 1.00 0.00 N ATOM 503 CA GLU A 119 -5.623 3.695 13.273 1.00 0.00 C ATOM 504 C GLU A 119 -5.131 4.596 14.356 1.00 0.00 C ATOM 505 O GLU A 119 -5.910 5.004 15.216 1.00 0.00 O ATOM 506 CB GLU A 119 -5.875 2.269 13.816 1.00 0.00 C ATOM 507 CG GLU A 119 -4.803 1.657 14.721 1.00 0.00 C ATOM 508 CD GLU A 119 -5.145 0.190 14.946 1.00 0.00 C ATOM 509 OE1 GLU A 119 -6.278 -0.090 15.419 1.00 0.00 O ATOM 510 OE2 GLU A 119 -4.274 -0.672 14.655 1.00 0.00 O ATOM 0 H GLU A 119 -4.074 2.917 12.187 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.576 4.092 12.922 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.815 2.281 14.368 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -6.015 1.604 12.963 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.819 1.751 14.261 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -4.762 2.187 15.672 1.00 0.00 H new ATOM 517 N GLU A 120 -3.821 4.962 14.312 1.00 0.00 N ATOM 518 CA GLU A 120 -3.290 6.027 15.126 1.00 0.00 C ATOM 519 C GLU A 120 -3.578 7.364 14.480 1.00 0.00 C ATOM 520 O GLU A 120 -3.252 8.412 15.035 1.00 0.00 O ATOM 521 CB GLU A 120 -1.790 5.873 15.486 1.00 0.00 C ATOM 522 CG GLU A 120 -0.799 6.025 14.337 1.00 0.00 C ATOM 523 CD GLU A 120 0.610 5.797 14.868 1.00 0.00 C ATOM 524 OE1 GLU A 120 0.888 4.669 15.353 1.00 0.00 O ATOM 525 OE2 GLU A 120 1.431 6.751 14.787 1.00 0.00 O ATOM 0 H GLU A 120 -3.130 4.516 13.709 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.806 5.969 16.084 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.544 6.611 16.249 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.645 4.890 15.935 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.025 5.309 13.547 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.880 7.019 13.898 1.00 0.00 H new ATOM 532 N GLY A 121 -4.234 7.331 13.297 1.00 0.00 N ATOM 533 CA GLY A 121 -4.757 8.459 12.598 1.00 0.00 C ATOM 534 C GLY A 121 -3.693 9.041 11.767 1.00 0.00 C ATOM 535 O GLY A 121 -3.280 10.181 11.978 1.00 0.00 O ATOM 0 H GLY A 121 -4.406 6.455 12.803 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.600 8.159 11.975 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.131 9.200 13.305 1.00 0.00 H new ATOM 539 N ASP A 122 -3.229 8.255 10.782 1.00 0.00 N ATOM 540 CA ASP A 122 -2.337 8.766 9.815 1.00 0.00 C ATOM 541 C ASP A 122 -2.908 8.238 8.597 1.00 0.00 C ATOM 542 O ASP A 122 -3.766 7.357 8.598 1.00 0.00 O ATOM 543 CB ASP A 122 -0.891 8.285 9.871 1.00 0.00 C ATOM 544 CG ASP A 122 -0.299 8.483 11.258 1.00 0.00 C ATOM 545 OD1 ASP A 122 -0.391 9.616 11.795 1.00 0.00 O ATOM 546 OD2 ASP A 122 0.272 7.500 11.796 1.00 0.00 O ATOM 0 H ASP A 122 -3.475 7.272 10.663 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.255 9.846 9.940 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.845 7.230 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -0.295 8.829 9.138 1.00 0.00 H new ATOM 551 N LYS A 123 -2.413 8.825 7.526 1.00 0.00 N ATOM 552 CA LYS A 123 -2.775 8.474 6.226 1.00 0.00 C ATOM 553 C LYS A 123 -1.556 7.699 5.936 1.00 0.00 C ATOM 554 O LYS A 123 -0.468 8.249 5.944 1.00 0.00 O ATOM 555 CB LYS A 123 -2.997 9.777 5.434 1.00 0.00 C ATOM 556 CG LYS A 123 -3.686 9.645 4.083 1.00 0.00 C ATOM 557 CD LYS A 123 -2.803 8.973 3.049 1.00 0.00 C ATOM 558 CE LYS A 123 -1.724 9.904 2.534 1.00 0.00 C ATOM 559 NZ LYS A 123 -2.279 11.010 1.729 1.00 0.00 N ATOM 0 H LYS A 123 -1.728 9.580 7.570 1.00 0.00 H new ATOM 0 HA LYS A 123 -3.689 7.920 6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.586 10.455 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -2.027 10.250 5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -4.605 9.071 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -3.972 10.634 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.340 8.089 3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.416 8.632 2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.168 10.314 3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.015 9.337 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.520 11.446 1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -3.013 10.641 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.696 11.724 2.360 1.00 0.00 H new ATOM 573 N ALA A 124 -1.693 6.393 5.679 1.00 0.00 N ATOM 574 CA ALA A 124 -0.536 5.608 5.409 1.00 0.00 C ATOM 575 C ALA A 124 -0.313 5.717 3.927 1.00 0.00 C ATOM 576 O ALA A 124 -1.203 6.133 3.206 1.00 0.00 O ATOM 577 CB ALA A 124 -0.798 4.172 5.856 1.00 0.00 C ATOM 0 H ALA A 124 -2.580 5.889 5.658 1.00 0.00 H new ATOM 0 HA ALA A 124 0.352 5.945 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.082 3.562 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.012 4.157 6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -1.651 3.771 5.309 1.00 0.00 H new ATOM 583 N LYS A 125 0.866 5.398 3.388 1.00 0.00 N ATOM 584 CA LYS A 125 0.971 5.326 1.956 1.00 0.00 C ATOM 585 C LYS A 125 1.924 4.213 1.651 1.00 0.00 C ATOM 586 O LYS A 125 3.029 4.150 2.178 1.00 0.00 O ATOM 587 CB LYS A 125 1.602 6.656 1.478 1.00 0.00 C ATOM 588 CG LYS A 125 2.083 6.750 0.025 1.00 0.00 C ATOM 589 CD LYS A 125 2.731 8.113 -0.273 1.00 0.00 C ATOM 590 CE LYS A 125 1.723 9.248 -0.448 1.00 0.00 C ATOM 591 NZ LYS A 125 2.432 10.522 -0.694 1.00 0.00 N ATOM 0 H LYS A 125 1.720 5.196 3.908 1.00 0.00 H new ATOM 0 HA LYS A 125 0.006 5.161 1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.870 7.448 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 125 2.452 6.872 2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 125 2.802 5.955 -0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 125 1.240 6.593 -0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 125 3.413 8.366 0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 125 3.331 8.029 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.056 9.027 -1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 125 1.102 9.334 0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.739 11.288 -0.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 3.051 10.736 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.006 10.439 -1.557 1.00 0.00 H new ATOM 605 N ILE A 126 1.529 3.304 0.752 1.00 0.00 N ATOM 606 CA ILE A 126 2.387 2.262 0.291 1.00 0.00 C ATOM 607 C ILE A 126 3.227 2.807 -0.814 1.00 0.00 C ATOM 608 O ILE A 126 2.730 3.488 -1.704 1.00 0.00 O ATOM 609 CB ILE A 126 1.599 1.145 -0.316 1.00 0.00 C ATOM 610 CG1 ILE A 126 0.309 0.839 0.468 1.00 0.00 C ATOM 611 CG2 ILE A 126 2.516 -0.078 -0.403 1.00 0.00 C ATOM 612 CD1 ILE A 126 0.479 0.598 1.959 1.00 0.00 C ATOM 0 H ILE A 126 0.598 3.290 0.336 1.00 0.00 H new ATOM 0 HA ILE A 126 2.969 1.902 1.139 1.00 0.00 H new ATOM 0 HB ILE A 126 1.264 1.436 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.382 1.670 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -0.160 -0.041 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 126 1.969 -0.912 -0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.379 0.158 -1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 126 2.853 -0.352 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -0.493 0.393 2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 126 1.139 -0.255 2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 126 0.913 1.483 2.424 1.00 0.00 H new ATOM 624 N THR A 127 4.530 2.487 -0.798 1.00 0.00 N ATOM 625 CA THR A 127 5.325 2.605 -1.979 1.00 0.00 C ATOM 626 C THR A 127 5.586 1.194 -2.394 1.00 0.00 C ATOM 627 O THR A 127 6.176 0.391 -1.673 1.00 0.00 O ATOM 628 CB THR A 127 6.625 3.312 -1.760 1.00 0.00 C ATOM 629 OG1 THR A 127 6.411 4.530 -1.066 1.00 0.00 O ATOM 630 CG2 THR A 127 7.314 3.577 -3.110 1.00 0.00 C ATOM 0 H THR A 127 5.031 2.149 0.024 1.00 0.00 H new ATOM 0 HA THR A 127 4.801 3.201 -2.726 1.00 0.00 H new ATOM 0 HB THR A 127 7.273 2.679 -1.154 1.00 0.00 H new ATOM 0 HG1 THR A 127 7.269 4.983 -0.927 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.260 4.092 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 127 7.502 2.629 -3.615 1.00 0.00 H new ATOM 0 HG23 THR A 127 6.669 4.198 -3.732 1.00 0.00 H new ATOM 638 N LEU A 128 5.135 0.869 -3.606 1.00 0.00 N ATOM 639 CA LEU A 128 5.532 -0.325 -4.280 1.00 0.00 C ATOM 640 C LEU A 128 6.939 -0.164 -4.714 1.00 0.00 C ATOM 641 O LEU A 128 7.336 0.932 -5.075 1.00 0.00 O ATOM 642 CB LEU A 128 4.794 -0.427 -5.589 1.00 0.00 C ATOM 643 CG LEU A 128 3.884 -1.642 -5.674 1.00 0.00 C ATOM 644 CD1 LEU A 128 2.805 -1.286 -6.693 1.00 0.00 C ATOM 645 CD2 LEU A 128 4.592 -3.013 -5.815 1.00 0.00 C ATOM 0 H LEU A 128 4.480 1.444 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 128 5.357 -1.171 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 128 4.199 0.475 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 128 5.517 -0.466 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 128 3.408 -1.844 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 128 2.115 -2.123 -6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 128 2.258 -0.407 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 128 3.270 -1.073 -7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 128 3.845 -3.805 -5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 128 5.192 -3.021 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 128 5.238 -3.179 -4.953 1.00 0.00 H new ATOM 657 N ARG A 129 7.708 -1.260 -4.743 1.00 0.00 N ATOM 658 CA ARG A 129 9.066 -1.267 -5.102 1.00 0.00 C ATOM 659 C ARG A 129 9.147 -2.616 -5.687 1.00 0.00 C ATOM 660 O ARG A 129 9.273 -3.633 -5.006 1.00 0.00 O ATOM 661 CB ARG A 129 10.056 -1.131 -3.951 1.00 0.00 C ATOM 662 CG ARG A 129 11.493 -1.174 -4.488 1.00 0.00 C ATOM 663 CD ARG A 129 12.559 -0.660 -3.515 1.00 0.00 C ATOM 664 NE ARG A 129 12.286 0.773 -3.187 1.00 0.00 N ATOM 665 CZ ARG A 129 12.714 1.804 -3.976 1.00 0.00 C ATOM 666 NH1 ARG A 129 13.373 1.569 -5.148 1.00 0.00 N ATOM 667 NH2 ARG A 129 12.474 3.089 -3.581 1.00 0.00 N ATOM 0 H ARG A 129 7.353 -2.185 -4.501 1.00 0.00 H new ATOM 0 HA ARG A 129 9.336 -0.421 -5.734 1.00 0.00 H new ATOM 0 HB2 ARG A 129 9.885 -0.194 -3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 129 9.903 -1.936 -3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 129 11.734 -2.202 -4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 129 11.542 -0.584 -5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.555 -1.260 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.550 -0.760 -3.958 1.00 0.00 H new ATOM 0 HE ARG A 129 11.759 0.990 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 129 13.554 0.611 -5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 129 13.685 2.351 -5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 129 11.981 3.270 -2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 129 12.788 3.868 -4.160 1.00 0.00 H new ATOM 681 N PHE A 130 9.016 -2.589 -7.007 1.00 0.00 N ATOM 682 CA PHE A 130 8.992 -3.700 -7.895 1.00 0.00 C ATOM 683 C PHE A 130 10.349 -4.303 -7.969 1.00 0.00 C ATOM 684 O PHE A 130 11.365 -3.609 -7.933 1.00 0.00 O ATOM 685 CB PHE A 130 8.723 -3.166 -9.257 1.00 0.00 C ATOM 686 CG PHE A 130 7.331 -2.760 -9.276 1.00 0.00 C ATOM 687 CD1 PHE A 130 6.395 -3.733 -9.517 1.00 0.00 C ATOM 688 CD2 PHE A 130 6.966 -1.437 -9.102 1.00 0.00 C ATOM 689 CE1 PHE A 130 5.082 -3.369 -9.563 1.00 0.00 C ATOM 690 CE2 PHE A 130 5.634 -1.096 -9.176 1.00 0.00 C ATOM 691 CZ PHE A 130 4.696 -2.063 -9.443 1.00 0.00 C ATOM 0 H PHE A 130 8.917 -1.705 -7.507 1.00 0.00 H new ATOM 0 HA PHE A 130 8.252 -4.426 -7.558 1.00 0.00 H new ATOM 0 HB2 PHE A 130 9.376 -2.322 -9.478 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.916 -3.925 -10.016 1.00 0.00 H new ATOM 0 HD1 PHE A 130 6.690 -4.761 -9.666 1.00 0.00 H new ATOM 0 HD2 PHE A 130 7.715 -0.683 -8.911 1.00 0.00 H new ATOM 0 HE1 PHE A 130 4.328 -4.131 -9.698 1.00 0.00 H new ATOM 0 HE2 PHE A 130 5.328 -0.071 -9.025 1.00 0.00 H new ATOM 0 HZ PHE A 130 3.657 -1.793 -9.558 1.00 0.00 H new ATOM 849 N ILE A 140 2.313 -7.064 -10.788 1.00 0.00 N ATOM 850 CA ILE A 140 3.179 -7.101 -9.660 1.00 0.00 C ATOM 851 C ILE A 140 2.679 -6.215 -8.572 1.00 0.00 C ATOM 852 O ILE A 140 2.704 -6.588 -7.400 1.00 0.00 O ATOM 853 CB ILE A 140 4.593 -6.923 -10.117 1.00 0.00 C ATOM 854 CG1 ILE A 140 4.977 -8.224 -10.866 1.00 0.00 C ATOM 855 CG2 ILE A 140 5.449 -6.796 -8.859 1.00 0.00 C ATOM 856 CD1 ILE A 140 6.387 -8.173 -11.440 1.00 0.00 C ATOM 0 HA ILE A 140 3.179 -8.077 -9.175 1.00 0.00 H new ATOM 0 HB ILE A 140 4.729 -6.053 -10.759 1.00 0.00 H new ATOM 0 HG12 ILE A 140 4.897 -9.070 -10.183 1.00 0.00 H new ATOM 0 HG13 ILE A 140 4.266 -8.398 -11.673 1.00 0.00 H new ATOM 0 HG21 ILE A 140 6.493 -6.664 -9.141 1.00 0.00 H new ATOM 0 HG22 ILE A 140 5.118 -5.934 -8.279 1.00 0.00 H new ATOM 0 HG23 ILE A 140 5.347 -7.699 -8.257 1.00 0.00 H new ATOM 0 HD11 ILE A 140 6.605 -9.109 -11.954 1.00 0.00 H new ATOM 0 HD12 ILE A 140 6.463 -7.345 -12.145 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.104 -8.028 -10.632 1.00 0.00 H new ATOM 868 N GLY A 141 2.216 -5.022 -8.961 1.00 0.00 N ATOM 869 CA GLY A 141 1.730 -4.071 -8.038 1.00 0.00 C ATOM 870 C GLY A 141 0.401 -4.414 -7.497 1.00 0.00 C ATOM 871 O GLY A 141 0.234 -4.432 -6.284 1.00 0.00 O ATOM 0 H GLY A 141 2.181 -4.717 -9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 141 2.438 -3.979 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 141 1.677 -3.097 -8.524 1.00 0.00 H new ATOM 875 N MET A 142 -0.589 -4.636 -8.380 1.00 0.00 N ATOM 876 CA MET A 142 -1.946 -4.635 -7.983 1.00 0.00 C ATOM 877 C MET A 142 -2.423 -5.961 -7.460 1.00 0.00 C ATOM 878 O MET A 142 -3.585 -6.062 -7.090 1.00 0.00 O ATOM 879 CB MET A 142 -2.848 -4.071 -9.086 1.00 0.00 C ATOM 880 CG MET A 142 -3.456 -5.112 -10.016 1.00 0.00 C ATOM 881 SD MET A 142 -4.368 -4.393 -11.412 1.00 0.00 S ATOM 882 CE MET A 142 -4.749 -5.988 -12.190 1.00 0.00 C ATOM 0 H MET A 142 -0.439 -4.816 -9.373 1.00 0.00 H new ATOM 0 HA MET A 142 -2.016 -3.961 -7.129 1.00 0.00 H new ATOM 0 HB2 MET A 142 -3.656 -3.506 -8.620 1.00 0.00 H new ATOM 0 HB3 MET A 142 -2.269 -3.366 -9.683 1.00 0.00 H new ATOM 0 HG2 MET A 142 -2.662 -5.751 -10.402 1.00 0.00 H new ATOM 0 HG3 MET A 142 -4.129 -5.750 -9.443 1.00 0.00 H new ATOM 0 HE1 MET A 142 -5.325 -5.821 -13.100 1.00 0.00 H new ATOM 0 HE2 MET A 142 -3.821 -6.503 -12.437 1.00 0.00 H new ATOM 0 HE3 MET A 142 -5.331 -6.599 -11.500 1.00 0.00 H new ATOM 892 N GLU A 143 -1.595 -7.023 -7.407 1.00 0.00 N ATOM 893 CA GLU A 143 -1.843 -7.924 -6.314 1.00 0.00 C ATOM 894 C GLU A 143 -1.714 -7.331 -4.994 1.00 0.00 C ATOM 895 O GLU A 143 -2.646 -7.446 -4.206 1.00 0.00 O ATOM 896 CB GLU A 143 -1.020 -9.226 -6.210 1.00 0.00 C ATOM 897 CG GLU A 143 -1.797 -10.407 -5.603 1.00 0.00 C ATOM 898 CD GLU A 143 -2.569 -11.151 -6.676 1.00 0.00 C ATOM 899 OE1 GLU A 143 -1.918 -11.729 -7.587 1.00 0.00 O ATOM 900 OE2 GLU A 143 -3.827 -11.159 -6.597 1.00 0.00 O ATOM 0 H GLU A 143 -0.831 -7.248 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 143 -2.868 -8.171 -6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.672 -9.505 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -0.134 -9.037 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -1.105 -11.088 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -2.485 -10.042 -4.840 1.00 0.00 H new ATOM 907 N VAL A 144 -0.522 -6.789 -4.730 1.00 0.00 N ATOM 908 CA VAL A 144 -0.077 -6.516 -3.415 1.00 0.00 C ATOM 909 C VAL A 144 -0.895 -5.463 -2.850 1.00 0.00 C ATOM 910 O VAL A 144 -1.628 -5.744 -1.919 1.00 0.00 O ATOM 911 CB VAL A 144 1.380 -6.241 -3.378 1.00 0.00 C ATOM 912 CG1 VAL A 144 1.802 -6.203 -1.908 1.00 0.00 C ATOM 913 CG2 VAL A 144 1.901 -7.494 -4.074 1.00 0.00 C ATOM 0 H VAL A 144 0.150 -6.534 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 144 -0.203 -7.397 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 144 1.725 -5.312 -3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 144 2.871 -6.002 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 144 1.252 -5.416 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 144 1.583 -7.164 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.989 -7.452 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.602 -8.376 -3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 144 1.486 -7.551 -5.080 1.00 0.00 H new ATOM 923 N LEU A 145 -0.806 -4.274 -3.440 1.00 0.00 N ATOM 924 CA LEU A 145 -1.505 -3.070 -3.114 1.00 0.00 C ATOM 925 C LEU A 145 -2.968 -3.221 -2.912 1.00 0.00 C ATOM 926 O LEU A 145 -3.525 -2.786 -1.911 1.00 0.00 O ATOM 927 CB LEU A 145 -1.417 -2.143 -4.296 1.00 0.00 C ATOM 928 CG LEU A 145 -0.038 -1.577 -4.589 1.00 0.00 C ATOM 929 CD1 LEU A 145 -0.213 -0.593 -5.760 1.00 0.00 C ATOM 930 CD2 LEU A 145 0.566 -1.021 -3.297 1.00 0.00 C ATOM 0 H LEU A 145 -0.178 -4.134 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 145 -1.043 -2.725 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -1.765 -2.677 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -2.104 -1.312 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 145 0.696 -2.315 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 145 0.752 -0.154 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -0.609 -1.124 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -0.906 0.197 -5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 145 1.556 -0.614 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -0.076 -0.232 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 145 0.649 -1.820 -2.561 1.00 0.00 H new ATOM 942 N ASN A 146 -3.625 -3.828 -3.893 1.00 0.00 N ATOM 943 CA ASN A 146 -5.022 -4.168 -3.814 1.00 0.00 C ATOM 944 C ASN A 146 -5.401 -5.145 -2.770 1.00 0.00 C ATOM 945 O ASN A 146 -6.518 -5.085 -2.273 1.00 0.00 O ATOM 946 CB ASN A 146 -5.270 -4.831 -5.096 1.00 0.00 C ATOM 947 CG ASN A 146 -6.405 -4.459 -6.035 1.00 0.00 C ATOM 948 OD1 ASN A 146 -7.045 -3.407 -6.009 1.00 0.00 O ATOM 949 ND2 ASN A 146 -6.573 -5.461 -6.962 1.00 0.00 N ATOM 0 H ASN A 146 -3.187 -4.097 -4.774 1.00 0.00 H new ATOM 0 HA ASN A 146 -5.584 -3.263 -3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -4.351 -4.732 -5.674 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -5.393 -5.891 -4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -7.271 -5.362 -7.699 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -6.000 -6.303 -6.912 1.00 0.00 H new ATOM 956 N ARG A 147 -4.504 -6.086 -2.416 1.00 0.00 N ATOM 957 CA ARG A 147 -4.774 -6.952 -1.322 1.00 0.00 C ATOM 958 C ARG A 147 -4.475 -6.279 -0.026 1.00 0.00 C ATOM 959 O ARG A 147 -4.894 -6.773 1.016 1.00 0.00 O ATOM 960 CB ARG A 147 -3.942 -8.209 -1.510 1.00 0.00 C ATOM 961 CG ARG A 147 -3.816 -9.213 -0.383 1.00 0.00 C ATOM 962 CD ARG A 147 -3.579 -10.644 -0.869 1.00 0.00 C ATOM 963 NE ARG A 147 -2.284 -10.638 -1.613 1.00 0.00 N ATOM 964 CZ ARG A 147 -1.551 -11.777 -1.790 1.00 0.00 C ATOM 965 NH1 ARG A 147 -2.051 -12.990 -1.418 1.00 0.00 N ATOM 966 NH2 ARG A 147 -0.301 -11.696 -2.336 1.00 0.00 N ATOM 0 H ARG A 147 -3.610 -6.241 -2.881 1.00 0.00 H new ATOM 0 HA ARG A 147 -5.831 -7.215 -1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -4.347 -8.739 -2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -2.933 -7.893 -1.776 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -2.993 -8.917 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -4.724 -9.187 0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -3.538 -11.336 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -4.394 -10.973 -1.514 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.938 -9.760 -1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.981 -13.053 -1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -1.495 -13.834 -1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.079 -10.789 -2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 147 0.252 -12.542 -2.471 1.00 0.00 H new ATOM 980 N VAL A 148 -3.719 -5.153 -0.032 1.00 0.00 N ATOM 981 CA VAL A 148 -3.484 -4.468 1.174 1.00 0.00 C ATOM 982 C VAL A 148 -4.741 -3.751 1.488 1.00 0.00 C ATOM 983 O VAL A 148 -5.125 -3.783 2.642 1.00 0.00 O ATOM 984 CB VAL A 148 -2.428 -3.429 1.197 1.00 0.00 C ATOM 985 CG1 VAL A 148 -1.955 -3.290 2.642 1.00 0.00 C ATOM 986 CG2 VAL A 148 -1.261 -3.789 0.315 1.00 0.00 C ATOM 0 H VAL A 148 -3.289 -4.741 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.150 -5.239 1.869 1.00 0.00 H new ATOM 0 HB VAL A 148 -2.838 -2.493 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -1.175 -2.531 2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -2.794 -2.995 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -1.558 -4.244 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -0.511 -2.999 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -0.822 -4.727 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -1.604 -3.902 -0.714 1.00 0.00 H new ATOM 996 N LYS A 149 -5.387 -3.091 0.483 1.00 0.00 N ATOM 997 CA LYS A 149 -6.662 -2.460 0.573 1.00 0.00 C ATOM 998 C LYS A 149 -7.713 -3.341 1.101 1.00 0.00 C ATOM 999 O LYS A 149 -8.486 -2.891 1.923 1.00 0.00 O ATOM 1000 CB LYS A 149 -7.195 -2.190 -0.826 1.00 0.00 C ATOM 1001 CG LYS A 149 -8.509 -1.420 -0.925 1.00 0.00 C ATOM 1002 CD LYS A 149 -8.872 -1.084 -2.372 1.00 0.00 C ATOM 1003 CE LYS A 149 -8.547 0.266 -2.993 1.00 0.00 C ATOM 1004 NZ LYS A 149 -9.058 0.326 -4.380 1.00 0.00 N ATOM 0 H LYS A 149 -4.977 -3.002 -0.447 1.00 0.00 H new ATOM 0 HA LYS A 149 -6.489 -1.587 1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 149 -6.435 -1.637 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 149 -7.323 -3.147 -1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 149 -9.309 -2.011 -0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 149 -8.433 -0.499 -0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 149 -8.398 -1.840 -2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 149 -9.949 -1.222 -2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 149 -8.992 1.064 -2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 149 -7.469 0.427 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 -8.830 1.252 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 -8.614 -0.425 -4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 -10.089 0.193 -4.376 1.00 0.00 H new ATOM 1018 N ASP A 150 -7.824 -4.558 0.537 1.00 0.00 N ATOM 1019 CA ASP A 150 -8.827 -5.517 0.751 1.00 0.00 C ATOM 1020 C ASP A 150 -8.625 -6.118 2.083 1.00 0.00 C ATOM 1021 O ASP A 150 -9.607 -6.330 2.794 1.00 0.00 O ATOM 1022 CB ASP A 150 -8.705 -6.611 -0.300 1.00 0.00 C ATOM 1023 CG ASP A 150 -9.287 -6.177 -1.643 1.00 0.00 C ATOM 1024 OD1 ASP A 150 -9.778 -5.023 -1.759 1.00 0.00 O ATOM 1025 OD2 ASP A 150 -9.238 -7.013 -2.586 1.00 0.00 O ATOM 0 H ASP A 150 -7.131 -4.887 -0.135 1.00 0.00 H new ATOM 0 HA ASP A 150 -9.810 -5.049 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -7.656 -6.876 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -9.220 -7.507 0.047 1.00 0.00 H new ATOM 1030 N ASP A 151 -7.356 -6.409 2.461 1.00 0.00 N ATOM 1031 CA ASP A 151 -7.175 -6.843 3.823 1.00 0.00 C ATOM 1032 C ASP A 151 -7.268 -5.736 4.864 1.00 0.00 C ATOM 1033 O ASP A 151 -7.587 -6.021 6.018 1.00 0.00 O ATOM 1034 CB ASP A 151 -5.893 -7.669 3.961 1.00 0.00 C ATOM 1035 CG ASP A 151 -5.905 -8.495 5.241 1.00 0.00 C ATOM 1036 OD1 ASP A 151 -6.855 -9.304 5.415 1.00 0.00 O ATOM 1037 OD2 ASP A 151 -4.958 -8.342 6.057 1.00 0.00 O ATOM 0 H ASP A 151 -6.520 -6.352 1.880 1.00 0.00 H new ATOM 0 HA ASP A 151 -8.028 -7.484 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 151 -5.788 -8.329 3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 151 -5.028 -7.006 3.961 1.00 0.00 H new ATOM 1042 N LEU A 152 -7.006 -4.455 4.502 1.00 0.00 N ATOM 1043 CA LEU A 152 -7.101 -3.340 5.390 1.00 0.00 C ATOM 1044 C LEU A 152 -8.481 -2.855 5.532 1.00 0.00 C ATOM 1045 O LEU A 152 -8.755 -2.316 6.597 1.00 0.00 O ATOM 1046 CB LEU A 152 -6.449 -2.025 4.937 1.00 0.00 C ATOM 1047 CG LEU A 152 -5.408 -1.411 5.903 1.00 0.00 C ATOM 1048 CD1 LEU A 152 -5.862 -1.305 7.383 1.00 0.00 C ATOM 1049 CD2 LEU A 152 -4.081 -2.122 5.662 1.00 0.00 C ATOM 0 H LEU A 152 -6.719 -4.196 3.558 1.00 0.00 H new ATOM 0 HA LEU A 152 -6.622 -3.774 6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -5.965 -2.196 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -7.237 -1.291 4.771 1.00 0.00 H new ATOM 0 HG LEU A 152 -5.281 -0.353 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -5.063 -0.863 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -6.752 -0.678 7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -6.091 -2.300 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.322 -1.712 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -4.199 -3.188 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.772 -1.975 4.627 1.00 0.00 H new ATOM 1061 N GLN A 153 -9.330 -2.975 4.464 1.00 0.00 N ATOM 1062 CA GLN A 153 -10.679 -2.523 4.175 1.00 0.00 C ATOM 1063 C GLN A 153 -11.644 -2.324 5.291 1.00 0.00 C ATOM 1064 O GLN A 153 -12.581 -1.528 5.209 1.00 0.00 O ATOM 1065 CB GLN A 153 -11.314 -3.499 3.195 1.00 0.00 C ATOM 1066 CG GLN A 153 -12.126 -2.775 2.130 1.00 0.00 C ATOM 1067 CD GLN A 153 -12.549 -3.781 1.064 1.00 0.00 C ATOM 1068 OE1 GLN A 153 -13.185 -4.799 1.359 1.00 0.00 O ATOM 1069 NE2 GLN A 153 -12.170 -3.469 -0.213 1.00 0.00 N ATOM 0 H GLN A 153 -8.988 -3.493 3.654 1.00 0.00 H new ATOM 0 HA GLN A 153 -10.511 -1.514 3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 153 -10.536 -4.094 2.718 1.00 0.00 H new ATOM 0 HB3 GLN A 153 -11.958 -4.192 3.736 1.00 0.00 H new ATOM 0 HG2 GLN A 153 -13.003 -2.308 2.577 1.00 0.00 H new ATOM 0 HG3 GLN A 153 -11.534 -1.977 1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 153 -11.646 -2.613 -0.395 1.00 0.00 H new ATOM 0 HE22 GLN A 153 -12.412 -4.092 -0.983 1.00 0.00 H new ATOM 1078 N GLU A 154 -11.380 -3.091 6.347 1.00 0.00 N ATOM 1079 CA GLU A 154 -11.919 -3.022 7.672 1.00 0.00 C ATOM 1080 C GLU A 154 -11.903 -1.648 8.248 1.00 0.00 C ATOM 1081 O GLU A 154 -12.881 -1.180 8.826 1.00 0.00 O ATOM 1082 CB GLU A 154 -11.084 -3.867 8.654 1.00 0.00 C ATOM 1083 CG GLU A 154 -10.513 -5.133 8.013 1.00 0.00 C ATOM 1084 CD GLU A 154 -9.790 -5.936 9.084 1.00 0.00 C ATOM 1085 OE1 GLU A 154 -8.804 -5.403 9.658 1.00 0.00 O ATOM 1086 OE2 GLU A 154 -10.212 -7.097 9.336 1.00 0.00 O ATOM 0 H GLU A 154 -10.708 -3.854 6.269 1.00 0.00 H new ATOM 0 HA GLU A 154 -12.942 -3.381 7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -10.265 -3.261 9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -11.705 -4.145 9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -11.313 -5.727 7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -9.826 -4.873 7.207 1.00 0.00 H new ATOM 1093 N LEU A 155 -10.716 -1.041 8.149 1.00 0.00 N ATOM 1094 CA LEU A 155 -10.310 0.116 8.857 1.00 0.00 C ATOM 1095 C LEU A 155 -9.873 1.167 7.880 1.00 0.00 C ATOM 1096 O LEU A 155 -10.254 2.332 7.988 1.00 0.00 O ATOM 1097 CB LEU A 155 -9.139 -0.300 9.758 1.00 0.00 C ATOM 1098 CG LEU A 155 -8.902 0.594 10.984 1.00 0.00 C ATOM 1099 CD1 LEU A 155 -8.680 -0.264 12.242 1.00 0.00 C ATOM 1100 CD2 LEU A 155 -7.728 1.553 10.766 1.00 0.00 C ATOM 0 H LEU A 155 -9.987 -1.389 7.525 1.00 0.00 H new ATOM 0 HA LEU A 155 -11.123 0.527 9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 155 -9.311 -1.320 10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 155 -8.229 -0.315 9.159 1.00 0.00 H new ATOM 0 HG LEU A 155 -9.796 1.201 11.130 1.00 0.00 H new ATOM 0 HD11 LEU A 155 -8.514 0.386 13.101 1.00 0.00 H new ATOM 0 HD12 LEU A 155 -9.559 -0.883 12.420 1.00 0.00 H new ATOM 0 HD13 LEU A 155 -7.809 -0.904 12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 155 -7.591 2.169 11.655 1.00 0.00 H new ATOM 0 HD22 LEU A 155 -6.820 0.980 10.579 1.00 0.00 H new ATOM 0 HD23 LEU A 155 -7.936 2.194 9.909 1.00 0.00 H new ATOM 1112 N ALA A 156 -9.017 0.754 6.924 1.00 0.00 N ATOM 1113 CA ALA A 156 -8.457 1.673 5.934 1.00 0.00 C ATOM 1114 C ALA A 156 -9.072 1.430 4.645 1.00 0.00 C ATOM 1115 O ALA A 156 -9.384 0.287 4.334 1.00 0.00 O ATOM 1116 CB ALA A 156 -6.988 1.508 5.498 1.00 0.00 C ATOM 0 H ALA A 156 -8.703 -0.211 6.823 1.00 0.00 H new ATOM 0 HA ALA A 156 -8.610 2.619 6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -6.739 2.271 4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -6.337 1.616 6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -6.847 0.520 5.059 1.00 0.00 H new ATOM 1122 N VAL A 157 -9.160 2.474 3.798 1.00 0.00 N ATOM 1123 CA VAL A 157 -8.830 2.204 2.456 1.00 0.00 C ATOM 1124 C VAL A 157 -7.749 3.000 1.883 1.00 0.00 C ATOM 1125 O VAL A 157 -7.261 3.981 2.405 1.00 0.00 O ATOM 1126 CB VAL A 157 -9.976 2.387 1.477 1.00 0.00 C ATOM 1127 CG1 VAL A 157 -11.090 1.410 1.843 1.00 0.00 C ATOM 1128 CG2 VAL A 157 -10.462 3.866 1.470 1.00 0.00 C ATOM 0 H VAL A 157 -9.438 3.428 4.027 1.00 0.00 H new ATOM 0 HA VAL A 157 -8.528 1.162 2.558 1.00 0.00 H new ATOM 0 HB VAL A 157 -9.645 2.169 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -11.921 1.529 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -10.712 0.389 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -11.433 1.613 2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -11.283 3.976 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -10.804 4.141 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -9.640 4.518 1.175 1.00 0.00 H new ATOM 1138 N VAL A 158 -7.463 2.596 0.663 1.00 0.00 N ATOM 1139 CA VAL A 158 -6.652 3.227 -0.279 1.00 0.00 C ATOM 1140 C VAL A 158 -7.480 4.335 -0.820 1.00 0.00 C ATOM 1141 O VAL A 158 -8.700 4.266 -0.950 1.00 0.00 O ATOM 1142 CB VAL A 158 -6.561 2.239 -1.372 1.00 0.00 C ATOM 1143 CG1 VAL A 158 -5.869 2.703 -2.633 1.00 0.00 C ATOM 1144 CG2 VAL A 158 -6.065 0.877 -0.876 1.00 0.00 C ATOM 0 H VAL A 158 -7.848 1.724 0.299 1.00 0.00 H new ATOM 0 HA VAL A 158 -5.689 3.563 0.104 1.00 0.00 H new ATOM 0 HB VAL A 158 -7.593 2.114 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -5.863 1.894 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -6.401 3.560 -3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -4.843 2.990 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -6.014 0.181 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -5.074 0.989 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -6.754 0.490 -0.125 1.00 0.00 H new ATOM 1154 N GLU A 159 -6.767 5.394 -1.170 1.00 0.00 N ATOM 1155 CA GLU A 159 -7.307 6.643 -1.575 1.00 0.00 C ATOM 1156 C GLU A 159 -7.604 6.507 -3.018 1.00 0.00 C ATOM 1157 O GLU A 159 -8.601 7.015 -3.530 1.00 0.00 O ATOM 1158 CB GLU A 159 -6.234 7.711 -1.440 1.00 0.00 C ATOM 1159 CG GLU A 159 -6.677 9.145 -1.734 1.00 0.00 C ATOM 1160 CD GLU A 159 -5.483 10.046 -1.456 1.00 0.00 C ATOM 1161 OE1 GLU A 159 -4.490 9.966 -2.228 1.00 0.00 O ATOM 1162 OE2 GLU A 159 -5.545 10.823 -0.467 1.00 0.00 O ATOM 0 H GLU A 159 -5.747 5.385 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 159 -8.182 6.909 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 159 -5.838 7.675 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 159 -5.413 7.460 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -7.001 9.244 -2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -7.524 9.423 -1.107 1.00 0.00 H new ATOM 1169 N SER A 160 -6.674 5.821 -3.698 1.00 0.00 N ATOM 1170 CA SER A 160 -6.692 5.746 -5.113 1.00 0.00 C ATOM 1171 C SER A 160 -5.881 4.576 -5.490 1.00 0.00 C ATOM 1172 O SER A 160 -4.845 4.319 -4.881 1.00 0.00 O ATOM 1173 CB SER A 160 -5.965 6.882 -5.764 1.00 0.00 C ATOM 1174 OG SER A 160 -6.476 7.130 -7.065 1.00 0.00 O ATOM 0 H SER A 160 -5.905 5.315 -3.259 1.00 0.00 H new ATOM 0 HA SER A 160 -7.738 5.729 -5.420 1.00 0.00 H new ATOM 0 HB2 SER A 160 -6.063 7.779 -5.153 1.00 0.00 H new ATOM 0 HB3 SER A 160 -4.901 6.652 -5.824 1.00 0.00 H new ATOM 0 HG SER A 160 -5.988 7.877 -7.471 1.00 0.00 H new ATOM 1180 N PHE A 161 -6.327 3.866 -6.527 1.00 0.00 N ATOM 1181 CA PHE A 161 -5.565 2.808 -7.118 1.00 0.00 C ATOM 1182 C PHE A 161 -5.033 3.476 -8.357 1.00 0.00 C ATOM 1183 O PHE A 161 -5.735 3.477 -9.367 1.00 0.00 O ATOM 1184 CB PHE A 161 -6.404 1.544 -7.375 1.00 0.00 C ATOM 1185 CG PHE A 161 -5.516 0.392 -7.191 1.00 0.00 C ATOM 1186 CD1 PHE A 161 -4.611 0.112 -8.181 1.00 0.00 C ATOM 1187 CD2 PHE A 161 -5.515 -0.339 -6.021 1.00 0.00 C ATOM 1188 CE1 PHE A 161 -3.624 -0.816 -7.955 1.00 0.00 C ATOM 1189 CE2 PHE A 161 -4.494 -1.195 -5.750 1.00 0.00 C ATOM 1190 CZ PHE A 161 -3.570 -1.452 -6.736 1.00 0.00 C ATOM 0 H PHE A 161 -7.233 4.023 -6.970 1.00 0.00 H new ATOM 0 HA PHE A 161 -4.771 2.412 -6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -7.247 1.495 -6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -6.817 1.555 -8.384 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -4.673 0.618 -9.133 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -6.328 -0.231 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -2.900 -1.043 -8.724 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -4.410 -1.664 -4.781 1.00 0.00 H new ATOM 0 HZ PHE A 161 -2.784 -2.169 -6.549 1.00 0.00 H new ATOM 1315 N GLN A 169 9.057 1.444 -9.201 1.00 0.00 N ATOM 1316 CA GLN A 169 8.320 1.700 -7.978 1.00 0.00 C ATOM 1317 C GLN A 169 7.137 2.571 -8.252 1.00 0.00 C ATOM 1318 O GLN A 169 7.206 3.516 -9.036 1.00 0.00 O ATOM 1319 CB GLN A 169 9.111 2.413 -6.878 1.00 0.00 C ATOM 1320 CG GLN A 169 10.134 3.342 -7.496 1.00 0.00 C ATOM 1321 CD GLN A 169 10.726 4.301 -6.471 1.00 0.00 C ATOM 1322 OE1 GLN A 169 9.827 4.930 -5.652 1.00 0.00 O flip ATOM 1323 NE2 GLN A 169 11.948 4.489 -6.418 1.00 0.00 N flip ATOM 0 HA GLN A 169 8.054 0.703 -7.626 1.00 0.00 H new ATOM 0 HB2 GLN A 169 8.433 2.979 -6.239 1.00 0.00 H new ATOM 0 HB3 GLN A 169 9.609 1.680 -6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 169 10.933 2.753 -7.946 1.00 0.00 H new ATOM 0 HG3 GLN A 169 9.667 3.912 -8.299 1.00 0.00 H new ATOM 0 HE21 GLN A 169 12.569 3.990 -7.055 1.00 0.00 H new ATOM 0 HE22 GLN A 169 12.334 5.143 -5.737 1.00 0.00 H new ATOM 1332 N MET A 170 6.005 2.240 -7.597 1.00 0.00 N ATOM 1333 CA MET A 170 4.764 2.958 -7.766 1.00 0.00 C ATOM 1334 C MET A 170 4.410 3.361 -6.381 1.00 0.00 C ATOM 1335 O MET A 170 5.031 2.902 -5.437 1.00 0.00 O ATOM 1336 CB MET A 170 3.617 2.072 -8.315 1.00 0.00 C ATOM 1337 CG MET A 170 2.389 2.795 -8.895 1.00 0.00 C ATOM 1338 SD MET A 170 0.813 1.903 -8.684 1.00 0.00 S ATOM 1339 CE MET A 170 1.112 0.533 -9.835 1.00 0.00 C ATOM 0 H MET A 170 5.945 1.463 -6.939 1.00 0.00 H new ATOM 0 HA MET A 170 4.886 3.775 -8.478 1.00 0.00 H new ATOM 0 HB2 MET A 170 4.029 1.429 -9.092 1.00 0.00 H new ATOM 0 HB3 MET A 170 3.277 1.421 -7.509 1.00 0.00 H new ATOM 0 HG2 MET A 170 2.303 3.774 -8.423 1.00 0.00 H new ATOM 0 HG3 MET A 170 2.554 2.968 -9.959 1.00 0.00 H new ATOM 0 HE1 MET A 170 0.247 -0.130 -9.844 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.276 0.929 -10.837 1.00 0.00 H new ATOM 0 HE3 MET A 170 1.993 -0.024 -9.516 1.00 0.00 H new ATOM 1349 N ILE A 171 3.422 4.247 -6.211 1.00 0.00 N ATOM 1350 CA ILE A 171 2.732 4.511 -4.998 1.00 0.00 C ATOM 1351 C ILE A 171 1.311 4.045 -5.160 1.00 0.00 C ATOM 1352 O ILE A 171 0.694 4.262 -6.199 1.00 0.00 O ATOM 1353 CB ILE A 171 2.702 6.013 -4.797 1.00 0.00 C ATOM 1354 CG1 ILE A 171 4.129 6.516 -4.559 1.00 0.00 C ATOM 1355 CG2 ILE A 171 1.819 6.365 -3.601 1.00 0.00 C ATOM 1356 CD1 ILE A 171 4.633 6.077 -3.205 1.00 0.00 C ATOM 0 H ILE A 171 3.081 4.822 -6.982 1.00 0.00 H new ATOM 0 HA ILE A 171 3.216 4.010 -4.160 1.00 0.00 H new ATOM 0 HB ILE A 171 2.290 6.490 -5.686 1.00 0.00 H new ATOM 0 HG12 ILE A 171 4.789 6.135 -5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 171 4.152 7.604 -4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 171 1.804 7.446 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 171 0.805 6.008 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 171 2.217 5.892 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 171 5.648 6.445 -3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 171 3.984 6.480 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 171 4.631 4.988 -3.151 1.00 0.00 H new ATOM 1368 N MET A 172 0.754 3.453 -4.085 1.00 0.00 N ATOM 1369 CA MET A 172 -0.666 3.477 -3.807 1.00 0.00 C ATOM 1370 C MET A 172 -0.745 4.231 -2.535 1.00 0.00 C ATOM 1371 O MET A 172 -0.021 3.934 -1.592 1.00 0.00 O ATOM 1372 CB MET A 172 -1.282 2.090 -3.547 1.00 0.00 C ATOM 1373 CG MET A 172 -2.656 2.116 -2.861 1.00 0.00 C ATOM 1374 SD MET A 172 -2.645 1.799 -1.083 1.00 0.00 S ATOM 1375 CE MET A 172 -2.742 -0.004 -1.179 1.00 0.00 C ATOM 0 H MET A 172 1.297 2.944 -3.388 1.00 0.00 H new ATOM 0 HA MET A 172 -1.204 3.893 -4.659 1.00 0.00 H new ATOM 0 HB2 MET A 172 -1.376 1.565 -4.498 1.00 0.00 H new ATOM 0 HB3 MET A 172 -0.594 1.512 -2.930 1.00 0.00 H new ATOM 0 HG2 MET A 172 -3.111 3.091 -3.036 1.00 0.00 H new ATOM 0 HG3 MET A 172 -3.296 1.375 -3.340 1.00 0.00 H new ATOM 0 HE1 MET A 172 -2.909 -0.413 -0.183 1.00 0.00 H new ATOM 0 HE2 MET A 172 -3.567 -0.290 -1.832 1.00 0.00 H new ATOM 0 HE3 MET A 172 -1.808 -0.398 -1.581 1.00 0.00 H new ATOM 1385 N VAL A 173 -1.645 5.219 -2.467 1.00 0.00 N ATOM 1386 CA VAL A 173 -1.805 5.967 -1.258 1.00 0.00 C ATOM 1387 C VAL A 173 -2.842 5.267 -0.395 1.00 0.00 C ATOM 1388 O VAL A 173 -3.877 4.875 -0.916 1.00 0.00 O ATOM 1389 CB VAL A 173 -2.297 7.344 -1.567 1.00 0.00 C ATOM 1390 CG1 VAL A 173 -2.182 8.101 -0.252 1.00 0.00 C ATOM 1391 CG2 VAL A 173 -1.450 7.969 -2.690 1.00 0.00 C ATOM 0 H VAL A 173 -2.256 5.501 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 173 -0.847 6.033 -0.743 1.00 0.00 H new ATOM 0 HB VAL A 173 -3.323 7.363 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -2.525 9.126 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -2.797 7.612 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -1.142 8.107 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -1.817 8.972 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -0.409 8.024 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -1.524 7.354 -3.587 1.00 0.00 H new ATOM 1401 N LEU A 174 -2.578 5.087 0.924 1.00 0.00 N ATOM 1402 CA LEU A 174 -3.345 4.281 1.874 1.00 0.00 C ATOM 1403 C LEU A 174 -4.007 4.997 3.049 1.00 0.00 C ATOM 1404 O LEU A 174 -3.565 4.855 4.180 1.00 0.00 O ATOM 1405 CB LEU A 174 -2.438 3.158 2.483 1.00 0.00 C ATOM 1406 CG LEU A 174 -3.021 1.749 2.725 1.00 0.00 C ATOM 1407 CD1 LEU A 174 -3.076 1.311 4.189 1.00 0.00 C ATOM 1408 CD2 LEU A 174 -4.439 1.636 2.243 1.00 0.00 C ATOM 0 H LEU A 174 -1.774 5.532 1.367 1.00 0.00 H new ATOM 0 HA LEU A 174 -4.161 3.911 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.575 3.045 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -2.065 3.524 3.439 1.00 0.00 H new ATOM 0 HG LEU A 174 -2.327 1.115 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -3.500 0.309 4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.069 1.306 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.698 2.005 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -4.809 0.628 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -5.062 2.357 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -4.477 1.840 1.173 1.00 0.00 H new ATOM 1420 N ALA A 175 -5.102 5.746 2.864 1.00 0.00 N ATOM 1421 CA ALA A 175 -5.659 6.610 3.891 1.00 0.00 C ATOM 1422 C ALA A 175 -6.631 6.005 4.874 1.00 0.00 C ATOM 1423 O ALA A 175 -6.905 4.817 4.783 1.00 0.00 O ATOM 1424 CB ALA A 175 -6.489 7.632 3.107 1.00 0.00 C ATOM 0 H ALA A 175 -5.624 5.763 1.988 1.00 0.00 H new ATOM 0 HA ALA A 175 -4.815 6.956 4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 175 -6.953 8.333 3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 175 -5.841 8.176 2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 175 -7.264 7.114 2.542 1.00 0.00 H new ATOM 1430 N PRO A 176 -7.207 6.746 5.822 1.00 0.00 N ATOM 1431 CA PRO A 176 -8.410 6.334 6.504 1.00 0.00 C ATOM 1432 C PRO A 176 -9.550 6.317 5.536 1.00 0.00 C ATOM 1433 O PRO A 176 -9.614 7.194 4.672 1.00 0.00 O ATOM 1434 CB PRO A 176 -8.645 7.409 7.563 1.00 0.00 C ATOM 1435 CG PRO A 176 -7.243 7.919 7.890 1.00 0.00 C ATOM 1436 CD PRO A 176 -6.515 7.805 6.548 1.00 0.00 C ATOM 0 HA PRO A 176 -8.326 5.338 6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 176 -9.282 8.208 7.185 1.00 0.00 H new ATOM 0 HB3 PRO A 176 -9.136 6.999 8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 176 -7.262 8.946 8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 176 -6.764 7.317 8.662 1.00 0.00 H new ATOM 0 HD2 PRO A 176 -6.552 8.746 6.000 1.00 0.00 H new ATOM 0 HD3 PRO A 176 -5.462 7.560 6.691 1.00 0.00 H new ATOM 1444 N LYS A 177 -10.482 5.349 5.704 1.00 0.00 N ATOM 1445 CA LYS A 177 -11.606 5.259 4.827 1.00 0.00 C ATOM 1446 C LYS A 177 -12.656 6.260 5.169 1.00 0.00 C ATOM 1447 O LYS A 177 -12.863 6.620 6.328 1.00 0.00 O ATOM 1448 CB LYS A 177 -12.252 3.861 4.886 1.00 0.00 C ATOM 1449 CG LYS A 177 -12.965 3.481 6.191 1.00 0.00 C ATOM 1450 CD LYS A 177 -13.403 2.011 6.182 1.00 0.00 C ATOM 1451 CE LYS A 177 -13.883 1.527 7.550 1.00 0.00 C ATOM 1452 NZ LYS A 177 -14.955 2.393 8.084 1.00 0.00 N ATOM 0 H LYS A 177 -10.453 4.641 6.438 1.00 0.00 H new ATOM 0 HA LYS A 177 -11.223 5.455 3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -12.972 3.785 4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -11.476 3.120 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -12.300 3.659 7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -13.836 4.121 6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -14.204 1.880 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -12.569 1.390 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -14.248 0.503 7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -13.045 1.512 8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 -15.340 1.973 8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 -14.567 3.334 8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -15.713 2.482 7.378 1.00 0.00 H new