USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=13 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=-0.16) USER MOD Single : A 94 LYS NZ :NH3+ 133:sc= -0.16 (180deg=-0.539) USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0247) USER MOD Single : A 107 TYR OH : rot 98:sc= 0.943 USER MOD Single : A 108 GLN :FLIP amide:sc=-0.00725 F(o=-0.91,f=-0.0072) USER MOD Single : A 110 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0145) USER MOD Single : A 113 SER OG : rot -77:sc= 0.73 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= -0.0251 (180deg=-0.0251) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 170:sc= 0 USER MOD Single : A 142 MET CE :methyl -164:sc= -0.0867 (180deg=-0.539) USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0.0094) 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=-0.16) USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 169 GLN :FLIP amide:sc= -0.011 F(o=-0.79,f=-0.011) USER MOD Single : A 170 MET CE :methyl -138:sc= -0.0439 (180deg=-1.95) USER MOD Single : A 172 MET CE :methyl -167:sc= -0.504 (180deg=-0.602) USER MOD Single : A 177 LYS NZ :NH3+ 173:sc= -0.0142 (180deg=-0.123) USER MOD ----------------------------------------------------------------- ATOM 35 N GLN A 92 -0.755 12.349 8.983 1.00 0.00 N ATOM 36 CA GLN A 92 0.668 12.251 8.887 1.00 0.00 C ATOM 37 C GLN A 92 0.942 11.259 7.818 1.00 0.00 C ATOM 38 O GLN A 92 0.039 10.529 7.430 1.00 0.00 O ATOM 39 CB GLN A 92 1.233 11.738 10.215 1.00 0.00 C ATOM 40 CG GLN A 92 0.732 12.582 11.398 1.00 0.00 C ATOM 41 CD GLN A 92 0.804 11.792 12.700 1.00 0.00 C ATOM 42 OE1 GLN A 92 1.873 11.407 13.183 1.00 0.00 O ATOM 43 NE2 GLN A 92 -0.422 11.564 13.273 1.00 0.00 N ATOM 0 HA GLN A 92 1.124 13.216 8.666 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.942 10.697 10.359 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.322 11.763 10.183 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.333 13.488 11.484 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.295 12.897 11.216 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.268 11.910 12.821 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.487 11.048 14.151 1.00 0.00 H new ATOM 52 N VAL A 93 2.186 11.203 7.309 1.00 0.00 N ATOM 53 CA VAL A 93 2.540 10.163 6.386 1.00 0.00 C ATOM 54 C VAL A 93 3.345 9.150 7.110 1.00 0.00 C ATOM 55 O VAL A 93 4.431 9.469 7.595 1.00 0.00 O ATOM 56 CB VAL A 93 3.317 10.609 5.172 1.00 0.00 C ATOM 57 CG1 VAL A 93 3.695 9.386 4.333 1.00 0.00 C ATOM 58 CG2 VAL A 93 2.358 11.321 4.239 1.00 0.00 C ATOM 0 H VAL A 93 2.934 11.861 7.528 1.00 0.00 H new ATOM 0 HA VAL A 93 1.597 9.771 6.006 1.00 0.00 H new ATOM 0 HB VAL A 93 4.168 11.199 5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.256 9.706 3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.308 8.711 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.790 8.869 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.895 11.655 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.561 10.638 3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.928 12.183 4.748 1.00 0.00 H new ATOM 68 N LYS A 94 2.862 7.883 7.141 1.00 0.00 N ATOM 69 CA LYS A 94 3.810 6.803 7.266 1.00 0.00 C ATOM 70 C LYS A 94 3.934 6.172 5.931 1.00 0.00 C ATOM 71 O LYS A 94 3.195 6.500 5.013 1.00 0.00 O ATOM 72 CB LYS A 94 3.401 5.711 8.243 1.00 0.00 C ATOM 73 CG LYS A 94 2.893 6.303 9.557 1.00 0.00 C ATOM 74 CD LYS A 94 4.043 6.859 10.415 1.00 0.00 C ATOM 75 CE LYS A 94 3.593 7.583 11.683 1.00 0.00 C ATOM 76 NZ LYS A 94 2.903 8.840 11.330 1.00 0.00 N ATOM 0 H LYS A 94 1.879 7.616 7.084 1.00 0.00 H new ATOM 0 HA LYS A 94 4.735 7.237 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.623 5.093 7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.252 5.059 8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.180 7.099 9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.358 5.537 10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.701 6.037 10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.633 7.547 9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.926 6.942 12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.455 7.797 12.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.020 8.916 11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.518 9.648 11.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.685 8.843 10.313 1.00 0.00 H new ATOM 90 N GLU A 95 4.891 5.252 5.781 1.00 0.00 N ATOM 91 CA GLU A 95 5.112 4.622 4.524 1.00 0.00 C ATOM 92 C GLU A 95 5.497 3.220 4.850 1.00 0.00 C ATOM 93 O GLU A 95 6.023 2.959 5.931 1.00 0.00 O ATOM 94 CB GLU A 95 6.299 5.259 3.821 1.00 0.00 C ATOM 95 CG GLU A 95 6.457 4.924 2.335 1.00 0.00 C ATOM 96 CD GLU A 95 7.590 5.774 1.780 1.00 0.00 C ATOM 97 OE1 GLU A 95 8.746 5.600 2.249 1.00 0.00 O ATOM 98 OE2 GLU A 95 7.311 6.610 0.878 1.00 0.00 O ATOM 0 H GLU A 95 5.513 4.943 6.528 1.00 0.00 H new ATOM 0 HA GLU A 95 4.231 4.701 3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.218 6.341 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 95 7.209 4.957 4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.676 3.864 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.530 5.126 1.798 1.00 0.00 H new ATOM 105 N ILE A 96 5.261 2.288 3.911 1.00 0.00 N ATOM 106 CA ILE A 96 5.740 0.947 4.044 1.00 0.00 C ATOM 107 C ILE A 96 6.089 0.533 2.650 1.00 0.00 C ATOM 108 O ILE A 96 5.669 1.208 1.713 1.00 0.00 O ATOM 109 CB ILE A 96 4.688 0.091 4.695 1.00 0.00 C ATOM 110 CG1 ILE A 96 5.322 -0.843 5.730 1.00 0.00 C ATOM 111 CG2 ILE A 96 3.756 -0.589 3.692 1.00 0.00 C ATOM 112 CD1 ILE A 96 4.405 -1.004 6.930 1.00 0.00 C ATOM 0 H ILE A 96 4.735 2.464 3.055 1.00 0.00 H new ATOM 0 HA ILE A 96 6.613 0.847 4.690 1.00 0.00 H new ATOM 0 HB ILE A 96 4.012 0.743 5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.517 -1.816 5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.284 -0.442 6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.022 -1.191 4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.242 0.169 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.339 -1.231 3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.870 -1.671 7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.232 -0.031 7.389 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.454 -1.426 6.607 1.00 0.00 H new ATOM 124 N LYS A 97 6.849 -0.571 2.472 1.00 0.00 N ATOM 125 CA LYS A 97 6.954 -1.170 1.162 1.00 0.00 C ATOM 126 C LYS A 97 6.276 -2.493 1.122 1.00 0.00 C ATOM 127 O LYS A 97 6.167 -3.183 2.135 1.00 0.00 O ATOM 128 CB LYS A 97 8.355 -1.416 0.606 1.00 0.00 C ATOM 129 CG LYS A 97 9.166 -0.135 0.394 1.00 0.00 C ATOM 130 CD LYS A 97 10.526 -0.409 -0.259 1.00 0.00 C ATOM 131 CE LYS A 97 11.259 0.862 -0.698 1.00 0.00 C ATOM 132 NZ LYS A 97 11.504 1.752 0.454 1.00 0.00 N ATOM 0 H LYS A 97 7.377 -1.040 3.208 1.00 0.00 H new ATOM 0 HA LYS A 97 6.487 -0.405 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.897 -2.070 1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.272 -1.944 -0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.597 0.553 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.319 0.359 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.154 -0.957 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.381 -1.053 -1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.207 0.597 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.668 1.387 -1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.075 2.566 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.595 2.089 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.014 1.229 1.194 1.00 0.00 H new ATOM 146 N PHE A 98 5.829 -2.877 -0.095 1.00 0.00 N ATOM 147 CA PHE A 98 5.298 -4.176 -0.363 1.00 0.00 C ATOM 148 C PHE A 98 5.831 -4.538 -1.704 1.00 0.00 C ATOM 149 O PHE A 98 5.300 -4.105 -2.721 1.00 0.00 O ATOM 150 CB PHE A 98 3.774 -4.169 -0.467 1.00 0.00 C ATOM 151 CG PHE A 98 3.130 -4.269 0.865 1.00 0.00 C ATOM 152 CD1 PHE A 98 3.514 -5.002 1.974 1.00 0.00 C ATOM 153 CD2 PHE A 98 1.960 -3.600 0.905 1.00 0.00 C ATOM 154 CE1 PHE A 98 2.798 -4.893 3.152 1.00 0.00 C ATOM 155 CE2 PHE A 98 1.258 -3.445 2.071 1.00 0.00 C ATOM 156 CZ PHE A 98 1.649 -4.131 3.200 1.00 0.00 C ATOM 0 H PHE A 98 5.839 -2.264 -0.910 1.00 0.00 H new ATOM 0 HA PHE A 98 5.572 -4.863 0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.448 -3.254 -0.961 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.449 -5.001 -1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.371 -5.657 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.566 -3.175 -0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.140 -5.407 4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.402 -2.788 2.105 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.066 -4.073 4.107 1.00 0.00 H new ATOM 166 N ARG A 99 6.911 -5.344 -1.712 1.00 0.00 N ATOM 167 CA ARG A 99 7.663 -5.714 -2.877 1.00 0.00 C ATOM 168 C ARG A 99 7.059 -6.939 -3.513 1.00 0.00 C ATOM 169 O ARG A 99 6.148 -7.522 -2.924 1.00 0.00 O ATOM 170 CB ARG A 99 9.105 -5.988 -2.441 1.00 0.00 C ATOM 171 CG ARG A 99 9.768 -4.753 -1.813 1.00 0.00 C ATOM 172 CD ARG A 99 11.283 -4.898 -1.676 1.00 0.00 C ATOM 173 NE ARG A 99 11.802 -3.640 -1.069 1.00 0.00 N ATOM 174 CZ ARG A 99 13.141 -3.459 -0.881 1.00 0.00 C ATOM 175 NH1 ARG A 99 14.029 -4.420 -1.268 1.00 0.00 N ATOM 176 NH2 ARG A 99 13.594 -2.305 -0.306 1.00 0.00 N ATOM 0 H ARG A 99 7.281 -5.761 -0.858 1.00 0.00 H new ATOM 0 HA ARG A 99 7.645 -4.911 -3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.116 -6.808 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.688 -6.312 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 99 9.545 -3.877 -2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.334 -4.575 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.531 -5.756 -1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 99 11.741 -5.071 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 99 11.150 -2.907 -0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.693 -5.280 -1.701 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.029 -4.278 -1.124 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.932 -1.584 -0.020 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.594 -2.165 -0.163 1.00 0.00 H new ATOM 259 N ASP A 106 5.106 -12.354 5.353 1.00 0.00 N ATOM 260 CA ASP A 106 5.875 -11.180 5.406 1.00 0.00 C ATOM 261 C ASP A 106 4.957 -10.014 5.317 1.00 0.00 C ATOM 262 O ASP A 106 5.278 -8.906 5.744 1.00 0.00 O ATOM 263 CB ASP A 106 6.693 -11.151 4.135 1.00 0.00 C ATOM 264 CG ASP A 106 7.960 -11.979 4.269 1.00 0.00 C ATOM 265 OD1 ASP A 106 7.855 -13.234 4.338 1.00 0.00 O ATOM 266 OD2 ASP A 106 9.060 -11.365 4.296 1.00 0.00 O ATOM 0 HA ASP A 106 6.478 -11.149 6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 106 6.094 -11.531 3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 106 6.954 -10.121 3.893 1.00 0.00 H new ATOM 271 N TYR A 107 3.817 -10.268 4.660 1.00 0.00 N ATOM 272 CA TYR A 107 3.014 -9.235 4.061 1.00 0.00 C ATOM 273 C TYR A 107 2.068 -8.695 5.059 1.00 0.00 C ATOM 274 O TYR A 107 2.233 -7.560 5.479 1.00 0.00 O ATOM 275 CB TYR A 107 2.305 -9.828 2.825 1.00 0.00 C ATOM 276 CG TYR A 107 1.408 -9.026 1.961 1.00 0.00 C ATOM 277 CD1 TYR A 107 1.207 -7.677 2.151 1.00 0.00 C ATOM 278 CD2 TYR A 107 0.670 -9.709 1.002 1.00 0.00 C ATOM 279 CE1 TYR A 107 0.050 -7.105 1.691 1.00 0.00 C ATOM 280 CE2 TYR A 107 -0.364 -9.070 0.358 1.00 0.00 C ATOM 281 CZ TYR A 107 -0.719 -7.815 0.805 1.00 0.00 C ATOM 282 OH TYR A 107 -1.910 -7.247 0.398 1.00 0.00 O ATOM 0 H TYR A 107 3.438 -11.207 4.538 1.00 0.00 H new ATOM 0 HA TYR A 107 3.629 -8.398 3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.087 -10.226 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 107 1.720 -10.677 3.178 1.00 0.00 H new ATOM 0 HD1 TYR A 107 1.951 -7.078 2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 107 0.907 -10.735 0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.249 -6.120 2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -0.880 -9.535 -0.469 1.00 0.00 H new ATOM 0 HH TYR A 107 -1.783 -6.804 -0.467 1.00 0.00 H new ATOM 292 N GLN A 108 1.036 -9.474 5.419 1.00 0.00 N ATOM 293 CA GLN A 108 0.078 -9.218 6.438 1.00 0.00 C ATOM 294 C GLN A 108 0.532 -8.945 7.847 1.00 0.00 C ATOM 295 O GLN A 108 -0.234 -8.426 8.659 1.00 0.00 O ATOM 296 CB GLN A 108 -1.124 -10.157 6.385 1.00 0.00 C ATOM 297 CG GLN A 108 -1.301 -11.031 5.136 1.00 0.00 C ATOM 298 CD GLN A 108 -2.136 -10.251 4.117 1.00 0.00 C ATOM 299 OE1 GLN A 108 -1.560 -9.116 3.618 1.00 0.00 O flip ATOM 300 NE2 GLN A 108 -3.261 -10.643 3.786 1.00 0.00 N flip ATOM 0 H GLN A 108 0.860 -10.363 4.951 1.00 0.00 H new ATOM 0 HA GLN A 108 -0.228 -8.216 6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -1.070 -10.818 7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -2.024 -9.554 6.501 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.330 -11.290 4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.795 -11.967 5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -3.643 -11.498 4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -3.807 -10.111 3.108 1.00 0.00 H new ATOM 309 N VAL A 109 1.802 -9.267 8.141 1.00 0.00 N ATOM 310 CA VAL A 109 2.528 -8.782 9.304 1.00 0.00 C ATOM 311 C VAL A 109 2.648 -7.276 9.259 1.00 0.00 C ATOM 312 O VAL A 109 2.451 -6.552 10.233 1.00 0.00 O ATOM 313 CB VAL A 109 3.926 -9.371 9.385 1.00 0.00 C ATOM 314 CG1 VAL A 109 4.725 -8.786 10.568 1.00 0.00 C ATOM 315 CG2 VAL A 109 3.781 -10.894 9.522 1.00 0.00 C ATOM 0 H VAL A 109 2.358 -9.889 7.555 1.00 0.00 H new ATOM 0 HA VAL A 109 1.962 -9.093 10.182 1.00 0.00 H new ATOM 0 HB VAL A 109 4.484 -9.119 8.483 1.00 0.00 H new ATOM 0 HG11 VAL A 109 5.719 -9.232 10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 109 4.815 -7.706 10.448 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.206 -9.005 11.501 1.00 0.00 H new ATOM 0 HG21 VAL A 109 4.769 -11.350 9.583 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.218 -11.126 10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.252 -11.289 8.654 1.00 0.00 H new ATOM 325 N LYS A 110 3.033 -6.754 8.097 1.00 0.00 N ATOM 326 CA LYS A 110 3.210 -5.352 7.904 1.00 0.00 C ATOM 327 C LYS A 110 2.029 -4.600 7.464 1.00 0.00 C ATOM 328 O LYS A 110 1.966 -3.383 7.600 1.00 0.00 O ATOM 329 CB LYS A 110 4.216 -5.157 6.844 1.00 0.00 C ATOM 330 CG LYS A 110 5.556 -5.351 7.503 1.00 0.00 C ATOM 331 CD LYS A 110 6.365 -4.231 6.918 1.00 0.00 C ATOM 332 CE LYS A 110 7.853 -4.249 7.233 1.00 0.00 C ATOM 333 NZ LYS A 110 8.067 -4.224 8.696 1.00 0.00 N ATOM 0 H LYS A 110 3.228 -7.314 7.267 1.00 0.00 H new ATOM 0 HA LYS A 110 3.485 -4.975 8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.073 -5.872 6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.136 -4.161 6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.489 -5.281 8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.985 -6.326 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.243 -4.248 5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.950 -3.287 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.311 -5.141 6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.340 -3.389 6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.083 -4.134 8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.560 -3.414 9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.708 -5.106 9.114 1.00 0.00 H new ATOM 347 N LEU A 111 1.065 -5.333 6.937 1.00 0.00 N ATOM 348 CA LEU A 111 -0.310 -4.939 6.934 1.00 0.00 C ATOM 349 C LEU A 111 -0.773 -4.670 8.338 1.00 0.00 C ATOM 350 O LEU A 111 -1.529 -3.724 8.522 1.00 0.00 O ATOM 351 CB LEU A 111 -1.212 -5.971 6.256 1.00 0.00 C ATOM 352 CG LEU A 111 -2.510 -5.459 5.627 1.00 0.00 C ATOM 353 CD1 LEU A 111 -2.872 -6.343 4.435 1.00 0.00 C ATOM 354 CD2 LEU A 111 -3.696 -5.440 6.591 1.00 0.00 C ATOM 0 H LEU A 111 1.232 -6.236 6.493 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.385 -4.023 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.632 -6.467 5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.471 -6.730 6.994 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.321 -4.428 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.796 -5.983 3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -2.069 -6.307 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.009 -7.370 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.579 -5.066 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.888 -6.451 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.468 -4.790 7.436 1.00 0.00 H new ATOM 366 N ARG A 112 -0.329 -5.469 9.349 1.00 0.00 N ATOM 367 CA ARG A 112 -0.529 -5.160 10.740 1.00 0.00 C ATOM 368 C ARG A 112 0.112 -3.841 11.120 1.00 0.00 C ATOM 369 O ARG A 112 -0.520 -3.045 11.837 1.00 0.00 O ATOM 370 CB ARG A 112 -0.148 -6.267 11.738 1.00 0.00 C ATOM 371 CG ARG A 112 -0.969 -6.209 13.034 1.00 0.00 C ATOM 372 CD ARG A 112 -0.641 -7.354 13.997 1.00 0.00 C ATOM 373 NE ARG A 112 -1.582 -7.273 15.156 1.00 0.00 N ATOM 374 CZ ARG A 112 -1.294 -6.568 16.290 1.00 0.00 C ATOM 375 NH1 ARG A 112 -0.110 -5.904 16.426 1.00 0.00 N ATOM 376 NH2 ARG A 112 -2.210 -6.525 17.303 1.00 0.00 N ATOM 0 H ARG A 112 0.176 -6.341 9.191 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.612 -5.075 10.830 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.290 -7.239 11.267 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.911 -6.182 11.980 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.785 -5.257 13.533 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.030 -6.240 12.788 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.741 -8.315 13.493 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.391 -7.279 14.339 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.474 -7.764 15.098 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.578 -5.929 15.673 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.087 -5.383 17.280 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.099 -7.016 17.208 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.005 -6.001 18.154 1.00 0.00 H new ATOM 390 N SER A 113 1.371 -3.576 10.631 1.00 0.00 N ATOM 391 CA SER A 113 1.989 -2.302 10.876 1.00 0.00 C ATOM 392 C SER A 113 1.171 -1.115 10.390 1.00 0.00 C ATOM 393 O SER A 113 0.986 -0.137 11.111 1.00 0.00 O ATOM 394 CB SER A 113 3.423 -2.203 10.357 1.00 0.00 C ATOM 395 OG SER A 113 4.046 -1.028 10.843 1.00 0.00 O ATOM 0 H SER A 113 1.932 -4.231 10.086 1.00 0.00 H new ATOM 0 HA SER A 113 2.028 -2.248 11.964 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.991 -3.079 10.670 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.422 -2.197 9.267 1.00 0.00 H new ATOM 0 HG SER A 113 3.722 -0.253 10.338 1.00 0.00 H new ATOM 401 N LEU A 114 0.640 -1.201 9.152 1.00 0.00 N ATOM 402 CA LEU A 114 -0.225 -0.218 8.540 1.00 0.00 C ATOM 403 C LEU A 114 -1.578 -0.073 9.152 1.00 0.00 C ATOM 404 O LEU A 114 -2.163 0.990 8.958 1.00 0.00 O ATOM 405 CB LEU A 114 -0.630 -0.640 7.133 1.00 0.00 C ATOM 406 CG LEU A 114 0.542 -0.675 6.165 1.00 0.00 C ATOM 407 CD1 LEU A 114 0.102 -1.423 4.909 1.00 0.00 C ATOM 408 CD2 LEU A 114 1.014 0.758 5.912 1.00 0.00 C ATOM 0 H LEU A 114 0.821 -1.998 8.541 1.00 0.00 H new ATOM 0 HA LEU A 114 0.378 0.685 8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.091 -1.627 7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.386 0.049 6.756 1.00 0.00 H new ATOM 0 HG LEU A 114 1.401 -1.213 6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.929 -1.460 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.194 -2.438 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.743 -0.906 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.855 0.747 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.198 1.340 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.326 1.210 6.854 1.00 0.00 H new ATOM 420 N ILE A 115 -2.135 -1.115 9.844 1.00 0.00 N ATOM 421 CA ILE A 115 -3.364 -0.937 10.569 1.00 0.00 C ATOM 422 C ILE A 115 -3.116 0.091 11.578 1.00 0.00 C ATOM 423 O ILE A 115 -3.892 1.031 11.671 1.00 0.00 O ATOM 424 CB ILE A 115 -3.937 -2.044 11.429 1.00 0.00 C ATOM 425 CG1 ILE A 115 -3.808 -3.459 10.888 1.00 0.00 C ATOM 426 CG2 ILE A 115 -5.395 -1.686 11.617 1.00 0.00 C ATOM 427 CD1 ILE A 115 -4.493 -3.675 9.556 1.00 0.00 C ATOM 0 H ILE A 115 -1.738 -2.053 9.895 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.065 -0.773 9.751 1.00 0.00 H new ATOM 0 HB ILE A 115 -3.359 -2.087 12.352 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -2.751 -3.702 10.784 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.225 -4.155 11.616 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -5.879 -2.444 12.232 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.471 -0.716 12.109 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -5.886 -1.639 10.645 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.355 -4.709 9.239 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.558 -3.466 9.656 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -4.060 -3.006 8.812 1.00 0.00 H new ATOM 439 N ARG A 116 -2.027 -0.120 12.342 1.00 0.00 N ATOM 440 CA ARG A 116 -1.601 0.710 13.421 1.00 0.00 C ATOM 441 C ARG A 116 -1.482 2.127 12.957 1.00 0.00 C ATOM 442 O ARG A 116 -1.942 3.008 13.675 1.00 0.00 O ATOM 443 CB ARG A 116 -0.279 0.237 14.057 1.00 0.00 C ATOM 444 CG ARG A 116 -0.235 0.287 15.597 1.00 0.00 C ATOM 445 CD ARG A 116 -0.401 1.673 16.230 1.00 0.00 C ATOM 446 NE ARG A 116 -0.264 1.517 17.707 1.00 0.00 N ATOM 447 CZ ARG A 116 -0.660 2.509 18.559 1.00 0.00 C ATOM 448 NH1 ARG A 116 -1.185 3.671 18.075 1.00 0.00 N ATOM 449 NH2 ARG A 116 -0.527 2.335 19.908 1.00 0.00 N ATOM 0 H ARG A 116 -1.410 -0.919 12.194 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.361 0.640 14.199 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -0.087 -0.787 13.737 1.00 0.00 H new ATOM 0 HB3 ARG A 116 0.533 0.850 13.666 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -1.019 -0.364 15.984 1.00 0.00 H new ATOM 0 HG3 ARG A 116 0.717 -0.130 15.927 1.00 0.00 H new ATOM 0 HD2 ARG A 116 0.352 2.361 15.847 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -1.374 2.094 15.979 1.00 0.00 H new ATOM 0 HE ARG A 116 0.131 0.657 18.087 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -1.285 3.805 17.069 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.478 4.406 18.719 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -0.134 1.468 20.274 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -0.821 3.072 20.549 1.00 0.00 H new ATOM 463 N PHE A 117 -0.892 2.371 11.756 1.00 0.00 N ATOM 464 CA PHE A 117 -0.715 3.687 11.214 1.00 0.00 C ATOM 465 C PHE A 117 -2.012 4.416 10.999 1.00 0.00 C ATOM 466 O PHE A 117 -2.191 5.526 11.481 1.00 0.00 O ATOM 467 CB PHE A 117 -0.004 3.584 9.869 1.00 0.00 C ATOM 468 CG PHE A 117 1.348 2.979 10.005 1.00 0.00 C ATOM 469 CD1 PHE A 117 2.023 2.624 11.158 1.00 0.00 C ATOM 470 CD2 PHE A 117 1.947 2.785 8.802 1.00 0.00 C ATOM 471 CE1 PHE A 117 3.317 2.151 11.081 1.00 0.00 C ATOM 472 CE2 PHE A 117 3.232 2.302 8.699 1.00 0.00 C ATOM 473 CZ PHE A 117 3.934 2.011 9.851 1.00 0.00 C ATOM 0 H PHE A 117 -0.532 1.631 11.153 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.130 4.250 11.942 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.604 2.983 9.185 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.084 4.577 9.427 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.538 2.717 12.118 1.00 0.00 H new ATOM 0 HD2 PHE A 117 1.400 3.016 7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 117 3.849 1.889 11.984 1.00 0.00 H new ATOM 0 HE2 PHE A 117 3.685 2.153 7.730 1.00 0.00 H new ATOM 0 HZ PHE A 117 4.959 1.676 9.792 1.00 0.00 H new ATOM 483 N LEU A 118 -2.948 3.794 10.266 1.00 0.00 N ATOM 484 CA LEU A 118 -4.263 4.296 9.927 1.00 0.00 C ATOM 485 C LEU A 118 -5.219 4.383 11.085 1.00 0.00 C ATOM 486 O LEU A 118 -6.209 5.110 11.032 1.00 0.00 O ATOM 487 CB LEU A 118 -4.841 3.367 8.891 1.00 0.00 C ATOM 488 CG LEU A 118 -4.261 3.872 7.584 1.00 0.00 C ATOM 489 CD1 LEU A 118 -3.713 2.828 6.655 1.00 0.00 C ATOM 490 CD2 LEU A 118 -5.304 4.699 6.891 1.00 0.00 C ATOM 0 H LEU A 118 -2.783 2.867 9.875 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.138 5.318 9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -4.558 2.332 9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -5.930 3.403 8.885 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.384 4.460 7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -3.327 3.308 5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.908 2.286 7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.506 2.131 6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -4.905 5.072 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.184 4.086 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -5.582 5.541 7.525 1.00 0.00 H new ATOM 502 N GLU A 119 -4.925 3.610 12.147 1.00 0.00 N ATOM 503 CA GLU A 119 -5.608 3.576 13.415 1.00 0.00 C ATOM 504 C GLU A 119 -5.263 4.819 14.178 1.00 0.00 C ATOM 505 O GLU A 119 -6.122 5.380 14.858 1.00 0.00 O ATOM 506 CB GLU A 119 -5.260 2.305 14.231 1.00 0.00 C ATOM 507 CG GLU A 119 -6.178 1.937 15.409 1.00 0.00 C ATOM 508 CD GLU A 119 -5.821 2.715 16.672 1.00 0.00 C ATOM 509 OE1 GLU A 119 -4.642 2.629 17.107 1.00 0.00 O ATOM 510 OE2 GLU A 119 -6.726 3.397 17.222 1.00 0.00 O ATOM 0 H GLU A 119 -4.145 2.953 12.120 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.682 3.538 13.235 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.242 1.460 13.543 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -4.248 2.422 14.619 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.214 2.139 15.139 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.103 0.868 15.608 1.00 0.00 H new ATOM 517 N GLU A 120 -3.990 5.285 14.061 1.00 0.00 N ATOM 518 CA GLU A 120 -3.571 6.573 14.564 1.00 0.00 C ATOM 519 C GLU A 120 -4.239 7.683 13.802 1.00 0.00 C ATOM 520 O GLU A 120 -4.414 8.784 14.322 1.00 0.00 O ATOM 521 CB GLU A 120 -2.065 6.902 14.430 1.00 0.00 C ATOM 522 CG GLU A 120 -1.096 5.866 15.003 1.00 0.00 C ATOM 523 CD GLU A 120 0.300 6.473 15.032 1.00 0.00 C ATOM 524 OE1 GLU A 120 0.494 7.497 15.739 1.00 0.00 O ATOM 525 OE2 GLU A 120 1.197 5.913 14.346 1.00 0.00 O ATOM 0 H GLU A 120 -3.242 4.758 13.610 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.838 6.506 15.619 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.836 7.038 13.373 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.877 7.856 14.922 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.403 5.575 16.008 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.103 4.963 14.393 1.00 0.00 H new ATOM 532 N GLY A 121 -4.602 7.398 12.534 1.00 0.00 N ATOM 533 CA GLY A 121 -5.095 8.343 11.594 1.00 0.00 C ATOM 534 C GLY A 121 -3.890 8.930 10.987 1.00 0.00 C ATOM 535 O GLY A 121 -3.608 10.117 11.144 1.00 0.00 O ATOM 0 H GLY A 121 -4.545 6.454 12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.723 7.864 10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.704 9.105 12.081 1.00 0.00 H new ATOM 539 N ASP A 122 -3.146 8.068 10.269 1.00 0.00 N ATOM 540 CA ASP A 122 -2.097 8.536 9.447 1.00 0.00 C ATOM 541 C ASP A 122 -2.600 8.034 8.182 1.00 0.00 C ATOM 542 O ASP A 122 -3.505 7.205 8.125 1.00 0.00 O ATOM 543 CB ASP A 122 -0.705 7.910 9.622 1.00 0.00 C ATOM 544 CG ASP A 122 -0.289 7.955 11.082 1.00 0.00 C ATOM 545 OD1 ASP A 122 -0.531 8.999 11.738 1.00 0.00 O ATOM 546 OD2 ASP A 122 0.287 6.944 11.562 1.00 0.00 O ATOM 0 H ASP A 122 -3.277 7.056 10.264 1.00 0.00 H new ATOM 0 HA ASP A 122 -1.918 9.597 9.619 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.716 6.878 9.271 1.00 0.00 H new ATOM 0 HB3 ASP A 122 0.022 8.446 9.012 1.00 0.00 H new ATOM 551 N LYS A 123 -1.990 8.541 7.135 1.00 0.00 N ATOM 552 CA LYS A 123 -2.207 8.046 5.849 1.00 0.00 C ATOM 553 C LYS A 123 -0.936 7.362 5.696 1.00 0.00 C ATOM 554 O LYS A 123 0.120 7.988 5.696 1.00 0.00 O ATOM 555 CB LYS A 123 -2.331 9.205 4.880 1.00 0.00 C ATOM 556 CG LYS A 123 -2.264 8.866 3.388 1.00 0.00 C ATOM 557 CD LYS A 123 -1.001 9.413 2.726 1.00 0.00 C ATOM 558 CE LYS A 123 -0.793 10.876 3.077 1.00 0.00 C ATOM 559 NZ LYS A 123 -0.015 11.565 2.031 1.00 0.00 N ATOM 0 H LYS A 123 -1.328 9.316 7.182 1.00 0.00 H new ATOM 0 HA LYS A 123 -3.097 7.439 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.278 9.709 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -1.539 9.920 5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.298 7.784 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -3.141 9.274 2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -0.137 8.832 3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.076 9.302 1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.759 11.365 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.274 10.954 4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.113 12.563 2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 0.915 11.110 1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.524 11.509 1.126 1.00 0.00 H new ATOM 573 N ALA A 124 -1.019 6.044 5.552 1.00 0.00 N ATOM 574 CA ALA A 124 0.167 5.352 5.206 1.00 0.00 C ATOM 575 C ALA A 124 0.223 5.480 3.718 1.00 0.00 C ATOM 576 O ALA A 124 -0.780 5.775 3.093 1.00 0.00 O ATOM 577 CB ALA A 124 0.108 3.892 5.621 1.00 0.00 C ATOM 0 H ALA A 124 -1.859 5.477 5.667 1.00 0.00 H new ATOM 0 HA ALA A 124 1.046 5.757 5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.036 3.396 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -0.024 3.826 6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -0.730 3.406 5.122 1.00 0.00 H new ATOM 583 N LYS A 125 1.380 5.323 3.078 1.00 0.00 N ATOM 584 CA LYS A 125 1.370 5.085 1.658 1.00 0.00 C ATOM 585 C LYS A 125 2.201 3.870 1.440 1.00 0.00 C ATOM 586 O LYS A 125 3.306 3.763 1.962 1.00 0.00 O ATOM 587 CB LYS A 125 2.142 6.165 0.880 1.00 0.00 C ATOM 588 CG LYS A 125 1.624 7.580 1.142 1.00 0.00 C ATOM 589 CD LYS A 125 2.036 8.622 0.096 1.00 0.00 C ATOM 590 CE LYS A 125 3.548 8.758 -0.070 1.00 0.00 C ATOM 591 NZ LYS A 125 3.861 9.862 -1.002 1.00 0.00 N ATOM 0 H LYS A 125 2.302 5.357 3.513 1.00 0.00 H new ATOM 0 HA LYS A 125 0.331 5.036 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.197 6.115 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 125 2.076 5.952 -0.187 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.536 7.549 1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 125 1.980 7.907 2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.596 8.354 -0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.621 9.590 0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 125 4.012 8.947 0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.965 7.824 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.892 9.945 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 3.433 9.665 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.478 10.753 -0.626 1.00 0.00 H new ATOM 605 N ILE A 126 1.712 2.921 0.633 1.00 0.00 N ATOM 606 CA ILE A 126 2.513 1.812 0.237 1.00 0.00 C ATOM 607 C ILE A 126 3.283 2.224 -0.965 1.00 0.00 C ATOM 608 O ILE A 126 2.721 2.718 -1.936 1.00 0.00 O ATOM 609 CB ILE A 126 1.699 0.646 -0.192 1.00 0.00 C ATOM 610 CG1 ILE A 126 0.478 0.416 0.709 1.00 0.00 C ATOM 611 CG2 ILE A 126 2.629 -0.569 -0.214 1.00 0.00 C ATOM 612 CD1 ILE A 126 0.731 0.396 2.206 1.00 0.00 C ATOM 0 H ILE A 126 0.765 2.920 0.255 1.00 0.00 H new ATOM 0 HA ILE A 126 3.130 1.530 1.090 1.00 0.00 H new ATOM 0 HB ILE A 126 1.284 0.829 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.253 1.196 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.021 -0.533 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 126 2.069 -1.451 -0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.444 -0.391 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 126 3.038 -0.732 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -0.209 0.226 2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 126 1.431 -0.404 2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 126 1.152 1.352 2.517 1.00 0.00 H new ATOM 624 N THR A 127 4.599 1.990 -0.929 1.00 0.00 N ATOM 625 CA THR A 127 5.414 2.105 -2.088 1.00 0.00 C ATOM 626 C THR A 127 5.616 0.704 -2.573 1.00 0.00 C ATOM 627 O THR A 127 6.055 -0.183 -1.838 1.00 0.00 O ATOM 628 CB THR A 127 6.728 2.731 -1.750 1.00 0.00 C ATOM 629 OG1 THR A 127 6.525 3.874 -0.936 1.00 0.00 O ATOM 630 CG2 THR A 127 7.518 3.110 -3.009 1.00 0.00 C ATOM 0 H THR A 127 5.104 1.718 -0.086 1.00 0.00 H new ATOM 0 HA THR A 127 4.949 2.736 -2.845 1.00 0.00 H new ATOM 0 HB THR A 127 7.317 1.995 -1.202 1.00 0.00 H new ATOM 0 HG1 THR A 127 7.387 4.184 -0.587 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.467 3.562 -2.721 1.00 0.00 H new ATOM 0 HG22 THR A 127 7.708 2.216 -3.603 1.00 0.00 H new ATOM 0 HG23 THR A 127 6.942 3.822 -3.600 1.00 0.00 H new ATOM 638 N LEU A 128 5.293 0.481 -3.854 1.00 0.00 N ATOM 639 CA LEU A 128 5.730 -0.700 -4.530 1.00 0.00 C ATOM 640 C LEU A 128 7.113 -0.426 -4.918 1.00 0.00 C ATOM 641 O LEU A 128 7.469 0.716 -5.177 1.00 0.00 O ATOM 642 CB LEU A 128 5.080 -0.946 -5.886 1.00 0.00 C ATOM 643 CG LEU A 128 4.332 -2.271 -6.013 1.00 0.00 C ATOM 644 CD1 LEU A 128 5.184 -3.544 -5.862 1.00 0.00 C ATOM 645 CD2 LEU A 128 3.133 -2.152 -5.081 1.00 0.00 C ATOM 0 H LEU A 128 4.731 1.114 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 128 5.521 -1.535 -3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 128 4.384 -0.132 -6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 128 5.852 -0.907 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 128 4.000 -2.425 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 128 4.548 -4.423 -5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 128 5.957 -3.558 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 128 5.652 -3.554 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 128 2.548 -3.071 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 128 3.480 -1.987 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 128 2.512 -1.313 -5.393 1.00 0.00 H new ATOM 657 N ARG A 129 7.908 -1.484 -5.029 1.00 0.00 N ATOM 658 CA ARG A 129 9.249 -1.377 -5.397 1.00 0.00 C ATOM 659 C ARG A 129 9.349 -2.663 -6.063 1.00 0.00 C ATOM 660 O ARG A 129 9.515 -3.709 -5.441 1.00 0.00 O ATOM 661 CB ARG A 129 10.220 -1.278 -4.231 1.00 0.00 C ATOM 662 CG ARG A 129 11.663 -1.394 -4.726 1.00 0.00 C ATOM 663 CD ARG A 129 12.652 -0.722 -3.778 1.00 0.00 C ATOM 664 NE ARG A 129 14.034 -1.100 -4.182 1.00 0.00 N ATOM 665 CZ ARG A 129 15.114 -0.500 -3.600 1.00 0.00 C ATOM 666 NH1 ARG A 129 14.939 0.465 -2.651 1.00 0.00 N ATOM 667 NH2 ARG A 129 16.375 -0.868 -3.971 1.00 0.00 N ATOM 0 H ARG A 129 7.600 -2.441 -4.855 1.00 0.00 H new ATOM 0 HA ARG A 129 9.502 -0.483 -5.967 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.082 -0.328 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 129 10.012 -2.067 -3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 129 11.925 -2.446 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 129 11.744 -0.941 -5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.531 0.361 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 129 12.461 -1.032 -2.751 1.00 0.00 H new ATOM 0 HE ARG A 129 14.175 -1.812 -4.898 1.00 0.00 H new ATOM 0 HH11 ARG A 129 13.998 0.742 -2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 129 15.750 0.909 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 129 16.508 -1.589 -4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 129 17.184 -0.422 -3.539 1.00 0.00 H new ATOM 681 N PHE A 130 9.184 -2.562 -7.382 1.00 0.00 N ATOM 682 CA PHE A 130 9.086 -3.664 -8.284 1.00 0.00 C ATOM 683 C PHE A 130 10.405 -4.353 -8.456 1.00 0.00 C ATOM 684 O PHE A 130 11.397 -4.021 -7.806 1.00 0.00 O ATOM 685 CB PHE A 130 8.664 -3.094 -9.611 1.00 0.00 C ATOM 686 CG PHE A 130 7.285 -2.652 -9.471 1.00 0.00 C ATOM 687 CD1 PHE A 130 6.300 -3.607 -9.500 1.00 0.00 C ATOM 688 CD2 PHE A 130 6.973 -1.310 -9.422 1.00 0.00 C ATOM 689 CE1 PHE A 130 4.990 -3.211 -9.459 1.00 0.00 C ATOM 690 CE2 PHE A 130 5.647 -0.931 -9.420 1.00 0.00 C ATOM 691 CZ PHE A 130 4.647 -1.881 -9.427 1.00 0.00 C ATOM 0 H PHE A 130 9.114 -1.660 -7.853 1.00 0.00 H new ATOM 0 HA PHE A 130 8.377 -4.396 -7.897 1.00 0.00 H new ATOM 0 HB2 PHE A 130 9.308 -2.261 -9.894 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.749 -3.845 -10.397 1.00 0.00 H new ATOM 0 HD1 PHE A 130 6.554 -4.655 -9.554 1.00 0.00 H new ATOM 0 HD2 PHE A 130 7.755 -0.566 -9.386 1.00 0.00 H new ATOM 0 HE1 PHE A 130 4.211 -3.959 -9.452 1.00 0.00 H new ATOM 0 HE2 PHE A 130 5.390 0.118 -9.413 1.00 0.00 H new ATOM 0 HZ PHE A 130 3.609 -1.584 -9.408 1.00 0.00 H new ATOM 849 N ILE A 140 2.353 -7.093 -10.318 1.00 0.00 N ATOM 850 CA ILE A 140 3.156 -7.034 -9.136 1.00 0.00 C ATOM 851 C ILE A 140 2.606 -6.069 -8.144 1.00 0.00 C ATOM 852 O ILE A 140 2.592 -6.352 -6.946 1.00 0.00 O ATOM 853 CB ILE A 140 4.596 -6.874 -9.497 1.00 0.00 C ATOM 854 CG1 ILE A 140 5.046 -8.219 -10.122 1.00 0.00 C ATOM 855 CG2 ILE A 140 5.398 -6.546 -8.228 1.00 0.00 C ATOM 856 CD1 ILE A 140 6.477 -8.206 -10.645 1.00 0.00 C ATOM 0 HA ILE A 140 3.111 -7.983 -8.602 1.00 0.00 H new ATOM 0 HB ILE A 140 4.758 -6.062 -10.206 1.00 0.00 H new ATOM 0 HG12 ILE A 140 4.949 -9.007 -9.375 1.00 0.00 H new ATOM 0 HG13 ILE A 140 4.372 -8.472 -10.941 1.00 0.00 H new ATOM 0 HG21 ILE A 140 6.451 -6.428 -8.484 1.00 0.00 H new ATOM 0 HG22 ILE A 140 5.024 -5.620 -7.791 1.00 0.00 H new ATOM 0 HG23 ILE A 140 5.288 -7.357 -7.508 1.00 0.00 H new ATOM 0 HD11 ILE A 140 6.719 -9.181 -11.067 1.00 0.00 H new ATOM 0 HD12 ILE A 140 6.576 -7.442 -11.416 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.162 -7.985 -9.826 1.00 0.00 H new ATOM 868 N GLY A 141 2.152 -4.906 -8.638 1.00 0.00 N ATOM 869 CA GLY A 141 1.583 -3.914 -7.802 1.00 0.00 C ATOM 870 C GLY A 141 0.253 -4.333 -7.310 1.00 0.00 C ATOM 871 O GLY A 141 0.051 -4.421 -6.107 1.00 0.00 O ATOM 0 H GLY A 141 2.182 -4.657 -9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 141 2.244 -3.724 -6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 141 1.492 -2.978 -8.353 1.00 0.00 H new ATOM 875 N MET A 142 -0.701 -4.552 -8.233 1.00 0.00 N ATOM 876 CA MET A 142 -2.072 -4.472 -7.881 1.00 0.00 C ATOM 877 C MET A 142 -2.661 -5.745 -7.359 1.00 0.00 C ATOM 878 O MET A 142 -3.831 -5.744 -7.000 1.00 0.00 O ATOM 879 CB MET A 142 -2.900 -3.906 -9.031 1.00 0.00 C ATOM 880 CG MET A 142 -3.518 -4.942 -9.963 1.00 0.00 C ATOM 881 SD MET A 142 -4.307 -4.256 -11.455 1.00 0.00 S ATOM 882 CE MET A 142 -5.538 -3.199 -10.636 1.00 0.00 C ATOM 0 H MET A 142 -0.519 -4.781 -9.210 1.00 0.00 H new ATOM 0 HA MET A 142 -2.112 -3.781 -7.039 1.00 0.00 H new ATOM 0 HB2 MET A 142 -3.700 -3.294 -8.614 1.00 0.00 H new ATOM 0 HB3 MET A 142 -2.267 -3.243 -9.621 1.00 0.00 H new ATOM 0 HG2 MET A 142 -2.742 -5.643 -10.270 1.00 0.00 H new ATOM 0 HG3 MET A 142 -4.261 -5.513 -9.406 1.00 0.00 H new ATOM 0 HE1 MET A 142 -6.305 -2.909 -11.355 1.00 0.00 H new ATOM 0 HE2 MET A 142 -5.999 -3.747 -9.814 1.00 0.00 H new ATOM 0 HE3 MET A 142 -5.049 -2.306 -10.247 1.00 0.00 H new ATOM 892 N GLU A 143 -1.927 -6.874 -7.309 1.00 0.00 N ATOM 893 CA GLU A 143 -2.305 -7.810 -6.286 1.00 0.00 C ATOM 894 C GLU A 143 -2.185 -7.292 -4.935 1.00 0.00 C ATOM 895 O GLU A 143 -3.122 -7.429 -4.156 1.00 0.00 O ATOM 896 CB GLU A 143 -1.555 -9.157 -6.222 1.00 0.00 C ATOM 897 CG GLU A 143 -2.402 -10.335 -5.717 1.00 0.00 C ATOM 898 CD GLU A 143 -3.140 -10.998 -6.865 1.00 0.00 C ATOM 899 OE1 GLU A 143 -4.021 -10.335 -7.474 1.00 0.00 O ATOM 900 OE2 GLU A 143 -2.832 -12.186 -7.151 1.00 0.00 O ATOM 0 H GLU A 143 -1.145 -7.128 -7.912 1.00 0.00 H new ATOM 0 HA GLU A 143 -3.333 -7.977 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -1.179 -9.397 -7.217 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -0.687 -9.045 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -1.761 -11.064 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -3.117 -9.982 -4.974 1.00 0.00 H new ATOM 907 N VAL A 144 -0.986 -6.788 -4.646 1.00 0.00 N ATOM 908 CA VAL A 144 -0.532 -6.572 -3.332 1.00 0.00 C ATOM 909 C VAL A 144 -1.298 -5.482 -2.772 1.00 0.00 C ATOM 910 O VAL A 144 -2.046 -5.729 -1.845 1.00 0.00 O ATOM 911 CB VAL A 144 0.937 -6.371 -3.298 1.00 0.00 C ATOM 912 CG1 VAL A 144 1.352 -6.369 -1.827 1.00 0.00 C ATOM 913 CG2 VAL A 144 1.404 -7.644 -4.002 1.00 0.00 C ATOM 0 H VAL A 144 -0.308 -6.521 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 144 -0.696 -7.450 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 144 1.327 -5.459 -3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 144 2.430 -6.223 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.840 -5.560 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 144 1.083 -7.322 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.492 -7.650 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.066 -8.515 -3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 144 0.987 -7.677 -5.009 1.00 0.00 H new ATOM 923 N LEU A 145 -1.145 -4.293 -3.354 1.00 0.00 N ATOM 924 CA LEU A 145 -1.779 -3.053 -3.019 1.00 0.00 C ATOM 925 C LEU A 145 -3.240 -3.139 -2.817 1.00 0.00 C ATOM 926 O LEU A 145 -3.774 -2.695 -1.807 1.00 0.00 O ATOM 927 CB LEU A 145 -1.564 -2.070 -4.149 1.00 0.00 C ATOM 928 CG LEU A 145 -0.102 -1.695 -4.337 1.00 0.00 C ATOM 929 CD1 LEU A 145 0.016 -0.726 -5.522 1.00 0.00 C ATOM 930 CD2 LEU A 145 0.487 -1.228 -3.005 1.00 0.00 C ATOM 0 H LEU A 145 -0.510 -4.182 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 145 -1.327 -2.746 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -1.946 -2.500 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -2.143 -1.167 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 145 0.516 -2.549 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 145 1.061 -0.451 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -0.359 -1.208 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -0.570 0.170 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 145 1.534 -0.960 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -0.065 -0.359 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 145 0.412 -2.032 -2.272 1.00 0.00 H new ATOM 942 N ASN A 146 -3.923 -3.699 -3.807 1.00 0.00 N ATOM 943 CA ASN A 146 -5.340 -3.969 -3.729 1.00 0.00 C ATOM 944 C ASN A 146 -5.771 -4.926 -2.693 1.00 0.00 C ATOM 945 O ASN A 146 -6.885 -4.807 -2.199 1.00 0.00 O ATOM 946 CB ASN A 146 -5.622 -4.606 -5.019 1.00 0.00 C ATOM 947 CG ASN A 146 -6.736 -4.183 -5.962 1.00 0.00 C ATOM 948 OD1 ASN A 146 -7.374 -3.130 -5.896 1.00 0.00 O ATOM 949 ND2 ASN A 146 -6.899 -5.139 -6.936 1.00 0.00 N ATOM 0 H ASN A 146 -3.499 -3.978 -4.692 1.00 0.00 H new ATOM 0 HA ASN A 146 -5.855 -3.039 -3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -4.699 -4.543 -5.595 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -5.793 -5.661 -4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -7.589 -5.002 -7.675 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -6.330 -5.985 -6.920 1.00 0.00 H new ATOM 956 N ARG A 147 -4.925 -5.913 -2.346 1.00 0.00 N ATOM 957 CA ARG A 147 -5.243 -6.773 -1.261 1.00 0.00 C ATOM 958 C ARG A 147 -4.870 -6.160 0.046 1.00 0.00 C ATOM 959 O ARG A 147 -5.292 -6.666 1.082 1.00 0.00 O ATOM 960 CB ARG A 147 -4.503 -8.072 -1.505 1.00 0.00 C ATOM 961 CG ARG A 147 -4.451 -9.139 -0.433 1.00 0.00 C ATOM 962 CD ARG A 147 -4.319 -10.547 -1.012 1.00 0.00 C ATOM 963 NE ARG A 147 -3.012 -10.582 -1.730 1.00 0.00 N ATOM 964 CZ ARG A 147 -2.433 -11.762 -2.096 1.00 0.00 C ATOM 965 NH1 ARG A 147 -3.113 -12.937 -1.972 1.00 0.00 N ATOM 966 NH2 ARG A 147 -1.154 -11.764 -2.577 1.00 0.00 N ATOM 0 H ARG A 147 -4.038 -6.109 -2.810 1.00 0.00 H new ATOM 0 HA ARG A 147 -6.317 -6.950 -1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -4.940 -8.529 -2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -3.473 -7.814 -1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -3.608 -8.942 0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -5.354 -9.083 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -4.349 -11.297 -0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -5.142 -10.767 -1.692 1.00 0.00 H new ATOM 0 HE ARG A 147 -2.541 -9.705 -1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -4.064 -12.939 -1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -2.671 -13.814 -2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.639 -10.887 -2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.714 -12.642 -2.853 1.00 0.00 H new ATOM 980 N VAL A 148 -4.049 -5.077 0.057 1.00 0.00 N ATOM 981 CA VAL A 148 -3.738 -4.456 1.280 1.00 0.00 C ATOM 982 C VAL A 148 -4.948 -3.682 1.626 1.00 0.00 C ATOM 983 O VAL A 148 -5.360 -3.783 2.772 1.00 0.00 O ATOM 984 CB VAL A 148 -2.616 -3.487 1.327 1.00 0.00 C ATOM 985 CG1 VAL A 148 -2.129 -3.442 2.771 1.00 0.00 C ATOM 986 CG2 VAL A 148 -1.485 -3.890 0.418 1.00 0.00 C ATOM 0 H VAL A 148 -3.622 -4.657 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.427 -5.263 1.943 1.00 0.00 H new ATOM 0 HB VAL A 148 -2.960 -2.511 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -1.300 -2.739 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -2.944 -3.121 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -1.794 -4.434 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -0.685 -3.153 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -1.105 -4.866 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -1.845 -3.944 -0.609 1.00 0.00 H new ATOM 996 N LYS A 149 -5.522 -2.915 0.646 1.00 0.00 N ATOM 997 CA LYS A 149 -6.748 -2.210 0.753 1.00 0.00 C ATOM 998 C LYS A 149 -7.813 -3.063 1.268 1.00 0.00 C ATOM 999 O LYS A 149 -8.483 -2.623 2.172 1.00 0.00 O ATOM 1000 CB LYS A 149 -7.300 -1.850 -0.620 1.00 0.00 C ATOM 1001 CG LYS A 149 -8.619 -1.079 -0.624 1.00 0.00 C ATOM 1002 CD LYS A 149 -9.073 -0.648 -2.016 1.00 0.00 C ATOM 1003 CE LYS A 149 -8.715 0.717 -2.570 1.00 0.00 C ATOM 1004 NZ LYS A 149 -9.508 1.016 -3.780 1.00 0.00 N ATOM 0 H LYS A 149 -5.084 -2.796 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 149 -6.517 -1.353 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 149 -6.553 -1.257 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 149 -7.437 -2.770 -1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 149 -9.394 -1.700 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 149 -8.515 -0.195 0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 149 -8.690 -1.388 -2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 149 -10.160 -0.724 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 149 -8.896 1.480 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 149 -7.652 0.750 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 -9.247 1.955 -4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 -9.316 0.298 -4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 -10.521 1.006 -3.543 1.00 0.00 H new ATOM 1018 N ASP A 150 -8.043 -4.229 0.631 1.00 0.00 N ATOM 1019 CA ASP A 150 -9.157 -5.072 0.805 1.00 0.00 C ATOM 1020 C ASP A 150 -9.049 -5.791 2.086 1.00 0.00 C ATOM 1021 O ASP A 150 -10.076 -5.984 2.738 1.00 0.00 O ATOM 1022 CB ASP A 150 -9.252 -6.069 -0.328 1.00 0.00 C ATOM 1023 CG ASP A 150 -10.203 -5.514 -1.376 1.00 0.00 C ATOM 1024 OD1 ASP A 150 -9.886 -4.450 -1.974 1.00 0.00 O ATOM 1025 OD2 ASP A 150 -11.272 -6.146 -1.588 1.00 0.00 O ATOM 0 H ASP A 150 -7.387 -4.597 -0.058 1.00 0.00 H new ATOM 0 HA ASP A 150 -10.057 -4.456 0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -8.268 -6.244 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -9.612 -7.029 0.041 1.00 0.00 H new ATOM 1030 N ASP A 151 -7.820 -6.200 2.484 1.00 0.00 N ATOM 1031 CA ASP A 151 -7.722 -6.721 3.827 1.00 0.00 C ATOM 1032 C ASP A 151 -7.844 -5.688 4.911 1.00 0.00 C ATOM 1033 O ASP A 151 -8.354 -5.999 5.987 1.00 0.00 O ATOM 1034 CB ASP A 151 -6.452 -7.564 3.997 1.00 0.00 C ATOM 1035 CG ASP A 151 -6.479 -8.358 5.295 1.00 0.00 C ATOM 1036 OD1 ASP A 151 -7.424 -9.174 5.471 1.00 0.00 O ATOM 1037 OD2 ASP A 151 -5.550 -8.172 6.124 1.00 0.00 O ATOM 0 H ASP A 151 -6.962 -6.177 1.933 1.00 0.00 H new ATOM 0 HA ASP A 151 -8.595 -7.362 3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 151 -6.352 -8.247 3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 151 -5.578 -6.913 3.986 1.00 0.00 H new ATOM 1042 N LEU A 152 -7.399 -4.440 4.679 1.00 0.00 N ATOM 1043 CA LEU A 152 -7.490 -3.431 5.658 1.00 0.00 C ATOM 1044 C LEU A 152 -8.776 -2.744 5.729 1.00 0.00 C ATOM 1045 O LEU A 152 -9.044 -2.231 6.805 1.00 0.00 O ATOM 1046 CB LEU A 152 -6.625 -2.272 5.303 1.00 0.00 C ATOM 1047 CG LEU A 152 -5.470 -2.170 6.282 1.00 0.00 C ATOM 1048 CD1 LEU A 152 -4.291 -1.597 5.512 1.00 0.00 C ATOM 1049 CD2 LEU A 152 -5.890 -1.452 7.571 1.00 0.00 C ATOM 0 H LEU A 152 -6.974 -4.140 3.801 1.00 0.00 H new ATOM 0 HA LEU A 152 -7.248 -3.979 6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -6.244 -2.389 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -7.210 -1.352 5.320 1.00 0.00 H new ATOM 0 HG LEU A 152 -5.148 -3.137 6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.432 -1.505 6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -4.039 -2.261 4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -4.555 -0.614 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -5.039 -1.396 8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -6.230 -0.444 7.332 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -6.699 -2.005 8.048 1.00 0.00 H new ATOM 1061 N GLN A 153 -9.536 -2.672 4.599 1.00 0.00 N ATOM 1062 CA GLN A 153 -10.775 -2.028 4.212 1.00 0.00 C ATOM 1063 C GLN A 153 -11.812 -1.751 5.235 1.00 0.00 C ATOM 1064 O GLN A 153 -12.671 -0.888 5.070 1.00 0.00 O ATOM 1065 CB GLN A 153 -11.430 -2.857 3.115 1.00 0.00 C ATOM 1066 CG GLN A 153 -12.034 -1.970 2.034 1.00 0.00 C ATOM 1067 CD GLN A 153 -12.422 -2.816 0.825 1.00 0.00 C ATOM 1068 OE1 GLN A 153 -12.931 -3.935 0.953 1.00 0.00 O ATOM 1069 NE2 GLN A 153 -12.160 -2.238 -0.387 1.00 0.00 N ATOM 0 H GLN A 153 -9.191 -3.184 3.787 1.00 0.00 H new ATOM 0 HA GLN A 153 -10.435 -1.035 3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 153 -10.691 -3.523 2.670 1.00 0.00 H new ATOM 0 HB3 GLN A 153 -12.207 -3.487 3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 153 -12.911 -1.453 2.424 1.00 0.00 H new ATOM 0 HG3 GLN A 153 -11.318 -1.204 1.738 1.00 0.00 H new ATOM 0 HE21 GLN A 153 -11.738 -1.310 -0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 153 -12.387 -2.735 -1.249 1.00 0.00 H new ATOM 1078 N GLU A 154 -11.713 -2.521 6.309 1.00 0.00 N ATOM 1079 CA GLU A 154 -12.318 -2.278 7.590 1.00 0.00 C ATOM 1080 C GLU A 154 -12.087 -0.904 8.152 1.00 0.00 C ATOM 1081 O GLU A 154 -12.990 -0.243 8.662 1.00 0.00 O ATOM 1082 CB GLU A 154 -11.743 -3.224 8.659 1.00 0.00 C ATOM 1083 CG GLU A 154 -11.338 -4.581 8.083 1.00 0.00 C ATOM 1084 CD GLU A 154 -10.941 -5.500 9.226 1.00 0.00 C ATOM 1085 OE1 GLU A 154 -9.978 -5.153 9.962 1.00 0.00 O ATOM 1086 OE2 GLU A 154 -11.595 -6.566 9.379 1.00 0.00 O ATOM 0 H GLU A 154 -11.171 -3.385 6.297 1.00 0.00 H new ATOM 0 HA GLU A 154 -13.380 -2.424 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -10.875 -2.757 9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -12.484 -3.373 9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -12.165 -5.014 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -10.507 -4.463 7.388 1.00 0.00 H new ATOM 1093 N LEU A 155 -10.805 -0.535 8.129 1.00 0.00 N ATOM 1094 CA LEU A 155 -10.158 0.440 8.939 1.00 0.00 C ATOM 1095 C LEU A 155 -9.567 1.469 8.012 1.00 0.00 C ATOM 1096 O LEU A 155 -9.780 2.669 8.181 1.00 0.00 O ATOM 1097 CB LEU A 155 -9.108 -0.386 9.716 1.00 0.00 C ATOM 1098 CG LEU A 155 -8.108 0.204 10.733 1.00 0.00 C ATOM 1099 CD1 LEU A 155 -7.024 1.123 10.160 1.00 0.00 C ATOM 1100 CD2 LEU A 155 -8.624 0.708 12.087 1.00 0.00 C ATOM 0 H LEU A 155 -10.152 -0.965 7.474 1.00 0.00 H new ATOM 0 HA LEU A 155 -10.790 0.989 9.637 1.00 0.00 H new ATOM 0 HB2 LEU A 155 -9.665 -1.154 10.252 1.00 0.00 H new ATOM 0 HB3 LEU A 155 -8.507 -0.895 8.963 1.00 0.00 H new ATOM 0 HG LEU A 155 -7.629 -0.740 10.993 1.00 0.00 H new ATOM 0 HD11 LEU A 155 -6.382 1.476 10.967 1.00 0.00 H new ATOM 0 HD12 LEU A 155 -6.425 0.571 9.435 1.00 0.00 H new ATOM 0 HD13 LEU A 155 -7.492 1.976 9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 155 -7.789 1.088 12.676 1.00 0.00 H new ATOM 0 HD22 LEU A 155 -9.348 1.506 11.926 1.00 0.00 H new ATOM 0 HD23 LEU A 155 -9.102 -0.112 12.623 1.00 0.00 H new ATOM 1112 N ALA A 156 -8.775 0.988 7.029 1.00 0.00 N ATOM 1113 CA ALA A 156 -8.061 1.869 6.094 1.00 0.00 C ATOM 1114 C ALA A 156 -8.647 1.691 4.777 1.00 0.00 C ATOM 1115 O ALA A 156 -9.021 0.567 4.461 1.00 0.00 O ATOM 1116 CB ALA A 156 -6.620 1.512 5.719 1.00 0.00 C ATOM 0 H ALA A 156 -8.617 -0.007 6.867 1.00 0.00 H new ATOM 0 HA ALA A 156 -8.113 2.827 6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -6.230 2.255 5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -6.003 1.498 6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -6.599 0.529 5.249 1.00 0.00 H new ATOM 1122 N VAL A 157 -8.671 2.747 3.930 1.00 0.00 N ATOM 1123 CA VAL A 157 -8.558 2.444 2.554 1.00 0.00 C ATOM 1124 C VAL A 157 -7.412 3.033 1.869 1.00 0.00 C ATOM 1125 O VAL A 157 -6.574 3.704 2.437 1.00 0.00 O ATOM 1126 CB VAL A 157 -9.781 2.820 1.742 1.00 0.00 C ATOM 1127 CG1 VAL A 157 -10.953 1.987 2.244 1.00 0.00 C ATOM 1128 CG2 VAL A 157 -10.057 4.339 1.884 1.00 0.00 C ATOM 0 H VAL A 157 -8.762 3.731 4.182 1.00 0.00 H new ATOM 0 HA VAL A 157 -8.431 1.362 2.594 1.00 0.00 H new ATOM 0 HB VAL A 157 -9.625 2.616 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -11.848 2.238 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -10.728 0.928 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -11.123 2.197 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -10.937 4.605 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -10.232 4.581 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -9.196 4.901 1.521 1.00 0.00 H new ATOM 1138 N VAL A 158 -7.364 2.754 0.575 1.00 0.00 N ATOM 1139 CA VAL A 158 -6.545 3.438 -0.334 1.00 0.00 C ATOM 1140 C VAL A 158 -7.355 4.612 -0.756 1.00 0.00 C ATOM 1141 O VAL A 158 -8.580 4.557 -0.859 1.00 0.00 O ATOM 1142 CB VAL A 158 -6.315 2.604 -1.542 1.00 0.00 C ATOM 1143 CG1 VAL A 158 -5.197 3.135 -2.375 1.00 0.00 C ATOM 1144 CG2 VAL A 158 -5.965 1.170 -1.135 1.00 0.00 C ATOM 0 H VAL A 158 -7.923 2.017 0.145 1.00 0.00 H new ATOM 0 HA VAL A 158 -5.583 3.695 0.109 1.00 0.00 H new ATOM 0 HB VAL A 158 -7.236 2.626 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -5.060 2.498 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -5.434 4.149 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -4.279 3.147 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -5.799 0.568 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -5.060 1.175 -0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -6.787 0.744 -0.559 1.00 0.00 H new ATOM 1154 N GLU A 159 -6.641 5.696 -1.056 1.00 0.00 N ATOM 1155 CA GLU A 159 -7.179 6.942 -1.471 1.00 0.00 C ATOM 1156 C GLU A 159 -7.442 6.821 -2.923 1.00 0.00 C ATOM 1157 O GLU A 159 -8.435 7.332 -3.442 1.00 0.00 O ATOM 1158 CB GLU A 159 -6.105 8.012 -1.310 1.00 0.00 C ATOM 1159 CG GLU A 159 -6.506 9.448 -1.672 1.00 0.00 C ATOM 1160 CD GLU A 159 -7.695 9.868 -0.814 1.00 0.00 C ATOM 1161 OE1 GLU A 159 -7.547 9.887 0.438 1.00 0.00 O ATOM 1162 OE2 GLU A 159 -8.766 10.175 -1.401 1.00 0.00 O ATOM 0 H GLU A 159 -5.622 5.705 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 159 -8.071 7.196 -0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 159 -5.768 8.003 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 159 -5.250 7.732 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -5.667 10.125 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -6.765 9.511 -2.729 1.00 0.00 H new ATOM 1169 N SER A 160 -6.501 6.150 -3.606 1.00 0.00 N ATOM 1170 CA SER A 160 -6.545 6.051 -5.020 1.00 0.00 C ATOM 1171 C SER A 160 -5.904 4.781 -5.369 1.00 0.00 C ATOM 1172 O SER A 160 -4.796 4.490 -4.923 1.00 0.00 O ATOM 1173 CB SER A 160 -5.708 7.058 -5.748 1.00 0.00 C ATOM 1174 OG SER A 160 -6.289 7.384 -7.001 1.00 0.00 O ATOM 0 H SER A 160 -5.709 5.676 -3.173 1.00 0.00 H new ATOM 0 HA SER A 160 -7.591 6.178 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 160 -5.607 7.959 -5.143 1.00 0.00 H new ATOM 0 HB3 SER A 160 -4.704 6.662 -5.900 1.00 0.00 H new ATOM 0 HG SER A 160 -5.728 8.044 -7.460 1.00 0.00 H new ATOM 1180 N PHE A 161 -6.582 4.016 -6.211 1.00 0.00 N ATOM 1181 CA PHE A 161 -6.010 2.837 -6.768 1.00 0.00 C ATOM 1182 C PHE A 161 -5.747 3.249 -8.169 1.00 0.00 C ATOM 1183 O PHE A 161 -6.728 3.525 -8.858 1.00 0.00 O ATOM 1184 CB PHE A 161 -6.942 1.620 -6.757 1.00 0.00 C ATOM 1185 CG PHE A 161 -6.078 0.441 -6.660 1.00 0.00 C ATOM 1186 CD1 PHE A 161 -5.394 -0.001 -7.764 1.00 0.00 C ATOM 1187 CD2 PHE A 161 -5.856 -0.147 -5.445 1.00 0.00 C ATOM 1188 CE1 PHE A 161 -4.368 -0.904 -7.619 1.00 0.00 C ATOM 1189 CE2 PHE A 161 -4.827 -1.012 -5.278 1.00 0.00 C ATOM 1190 CZ PHE A 161 -4.087 -1.410 -6.370 1.00 0.00 C ATOM 0 H PHE A 161 -7.537 4.208 -6.515 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.140 2.511 -6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -7.632 1.667 -5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -7.547 1.585 -7.663 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -5.661 0.360 -8.746 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -6.506 0.080 -4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -3.788 -1.213 -8.476 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -4.588 -1.388 -4.294 1.00 0.00 H new ATOM 0 HZ PHE A 161 -3.284 -2.121 -6.246 1.00 0.00 H new ATOM 1315 N GLN A 169 8.891 1.713 -9.371 1.00 0.00 N ATOM 1316 CA GLN A 169 8.268 1.711 -8.069 1.00 0.00 C ATOM 1317 C GLN A 169 6.950 2.450 -8.108 1.00 0.00 C ATOM 1318 O GLN A 169 6.888 3.530 -8.693 1.00 0.00 O ATOM 1319 CB GLN A 169 9.044 2.600 -7.118 1.00 0.00 C ATOM 1320 CG GLN A 169 10.267 2.024 -6.400 1.00 0.00 C ATOM 1321 CD GLN A 169 10.981 3.150 -5.651 1.00 0.00 C ATOM 1322 OE1 GLN A 169 10.169 4.028 -4.985 1.00 0.00 O flip ATOM 1323 NE2 GLN A 169 12.215 3.231 -5.660 1.00 0.00 N flip ATOM 0 HA GLN A 169 8.198 0.663 -7.777 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.373 3.475 -7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 169 8.350 2.952 -6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 169 9.962 1.243 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 169 10.943 1.563 -7.120 1.00 0.00 H new ATOM 0 HE21 GLN A 169 12.767 2.546 -6.175 1.00 0.00 H new ATOM 0 HE22 GLN A 169 12.680 3.983 -5.152 1.00 0.00 H new ATOM 1332 N MET A 170 5.869 1.899 -7.485 1.00 0.00 N ATOM 1333 CA MET A 170 4.525 2.455 -7.609 1.00 0.00 C ATOM 1334 C MET A 170 3.920 2.802 -6.283 1.00 0.00 C ATOM 1335 O MET A 170 3.598 1.927 -5.490 1.00 0.00 O ATOM 1336 CB MET A 170 3.463 1.509 -8.251 1.00 0.00 C ATOM 1337 CG MET A 170 2.060 2.124 -8.396 1.00 0.00 C ATOM 1338 SD MET A 170 0.970 1.370 -9.646 1.00 0.00 S ATOM 1339 CE MET A 170 0.523 -0.208 -8.896 1.00 0.00 C ATOM 0 H MET A 170 5.922 1.069 -6.895 1.00 0.00 H new ATOM 0 HA MET A 170 4.712 3.318 -8.247 1.00 0.00 H new ATOM 0 HB2 MET A 170 3.815 1.205 -9.237 1.00 0.00 H new ATOM 0 HB3 MET A 170 3.388 0.605 -7.646 1.00 0.00 H new ATOM 0 HG2 MET A 170 1.561 2.068 -7.429 1.00 0.00 H new ATOM 0 HG3 MET A 170 2.174 3.181 -8.635 1.00 0.00 H new ATOM 0 HE1 MET A 170 0.553 -0.992 -9.653 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.229 -0.445 -8.100 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.483 -0.142 -8.482 1.00 0.00 H new ATOM 1349 N ILE A 171 3.622 4.083 -6.040 1.00 0.00 N ATOM 1350 CA ILE A 171 2.918 4.448 -4.859 1.00 0.00 C ATOM 1351 C ILE A 171 1.444 4.233 -5.079 1.00 0.00 C ATOM 1352 O ILE A 171 0.822 4.801 -5.977 1.00 0.00 O ATOM 1353 CB ILE A 171 3.064 5.911 -4.510 1.00 0.00 C ATOM 1354 CG1 ILE A 171 4.542 6.247 -4.274 1.00 0.00 C ATOM 1355 CG2 ILE A 171 2.258 6.145 -3.225 1.00 0.00 C ATOM 1356 CD1 ILE A 171 4.992 5.769 -2.905 1.00 0.00 C ATOM 0 H ILE A 171 3.865 4.860 -6.654 1.00 0.00 H new ATOM 0 HA ILE A 171 3.334 3.837 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 171 2.701 6.546 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 171 5.153 5.780 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 171 4.692 7.323 -4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 171 2.334 7.192 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 171 1.212 5.892 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 171 2.654 5.516 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 171 6.043 6.018 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 171 4.394 6.256 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 171 4.862 4.689 -2.836 1.00 0.00 H new ATOM 1368 N MET A 172 0.875 3.421 -4.177 1.00 0.00 N ATOM 1369 CA MET A 172 -0.521 3.390 -3.841 1.00 0.00 C ATOM 1370 C MET A 172 -0.583 4.157 -2.581 1.00 0.00 C ATOM 1371 O MET A 172 0.149 3.877 -1.634 1.00 0.00 O ATOM 1372 CB MET A 172 -0.987 1.956 -3.549 1.00 0.00 C ATOM 1373 CG MET A 172 -2.318 1.864 -2.808 1.00 0.00 C ATOM 1374 SD MET A 172 -2.243 1.707 -1.005 1.00 0.00 S ATOM 1375 CE MET A 172 -2.572 -0.063 -0.873 1.00 0.00 C ATOM 0 H MET A 172 1.419 2.741 -3.646 1.00 0.00 H new ATOM 0 HA MET A 172 -1.144 3.780 -4.646 1.00 0.00 H new ATOM 0 HB2 MET A 172 -1.072 1.416 -4.492 1.00 0.00 H new ATOM 0 HB3 MET A 172 -0.221 1.451 -2.960 1.00 0.00 H new ATOM 0 HG2 MET A 172 -2.902 2.753 -3.047 1.00 0.00 H new ATOM 0 HG3 MET A 172 -2.866 1.008 -3.201 1.00 0.00 H new ATOM 0 HE1 MET A 172 -2.795 -0.315 0.164 1.00 0.00 H new ATOM 0 HE2 MET A 172 -3.424 -0.323 -1.501 1.00 0.00 H new ATOM 0 HE3 MET A 172 -1.695 -0.621 -1.201 1.00 0.00 H new ATOM 1385 N VAL A 173 -1.484 5.143 -2.543 1.00 0.00 N ATOM 1386 CA VAL A 173 -1.602 5.926 -1.342 1.00 0.00 C ATOM 1387 C VAL A 173 -2.661 5.334 -0.425 1.00 0.00 C ATOM 1388 O VAL A 173 -3.807 5.225 -0.828 1.00 0.00 O ATOM 1389 CB VAL A 173 -2.033 7.323 -1.646 1.00 0.00 C ATOM 1390 CG1 VAL A 173 -2.036 8.030 -0.294 1.00 0.00 C ATOM 1391 CG2 VAL A 173 -1.027 7.933 -2.634 1.00 0.00 C ATOM 0 H VAL A 173 -2.112 5.400 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 173 -0.620 5.924 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 173 -3.015 7.401 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -2.343 9.068 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -2.733 7.528 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -1.034 8.000 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -1.323 8.955 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -0.034 7.937 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -1.010 7.340 -3.548 1.00 0.00 H new ATOM 1401 N LEU A 174 -2.308 4.984 0.834 1.00 0.00 N ATOM 1402 CA LEU A 174 -3.099 4.233 1.807 1.00 0.00 C ATOM 1403 C LEU A 174 -3.724 5.026 2.973 1.00 0.00 C ATOM 1404 O LEU A 174 -3.320 4.845 4.117 1.00 0.00 O ATOM 1405 CB LEU A 174 -2.192 3.069 2.355 1.00 0.00 C ATOM 1406 CG LEU A 174 -2.751 1.646 2.553 1.00 0.00 C ATOM 1407 CD1 LEU A 174 -2.723 1.158 4.002 1.00 0.00 C ATOM 1408 CD2 LEU A 174 -4.189 1.592 2.133 1.00 0.00 C ATOM 0 H LEU A 174 -1.397 5.243 1.212 1.00 0.00 H new ATOM 0 HA LEU A 174 -3.976 3.878 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.340 2.985 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -1.804 3.395 3.320 1.00 0.00 H new ATOM 0 HG LEU A 174 -2.103 1.010 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -3.133 0.149 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -1.695 1.151 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.321 1.826 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -4.573 0.582 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.770 2.290 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -4.271 1.864 1.081 1.00 0.00 H new ATOM 1420 N ALA A 175 -4.735 5.899 2.724 1.00 0.00 N ATOM 1421 CA ALA A 175 -5.316 6.857 3.668 1.00 0.00 C ATOM 1422 C ALA A 175 -6.507 6.452 4.504 1.00 0.00 C ATOM 1423 O ALA A 175 -7.037 5.371 4.297 1.00 0.00 O ATOM 1424 CB ALA A 175 -5.964 7.940 2.803 1.00 0.00 C ATOM 0 H ALA A 175 -5.182 5.946 1.808 1.00 0.00 H new ATOM 0 HA ALA A 175 -4.484 7.076 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 175 -6.421 8.693 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 175 -5.205 8.408 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 175 -6.729 7.491 2.170 1.00 0.00 H new ATOM 1430 N PRO A 176 -6.970 7.253 5.482 1.00 0.00 N ATOM 1431 CA PRO A 176 -8.014 6.816 6.377 1.00 0.00 C ATOM 1432 C PRO A 176 -9.313 6.687 5.657 1.00 0.00 C ATOM 1433 O PRO A 176 -9.635 7.545 4.834 1.00 0.00 O ATOM 1434 CB PRO A 176 -8.115 7.916 7.430 1.00 0.00 C ATOM 1435 CG PRO A 176 -6.687 8.439 7.542 1.00 0.00 C ATOM 1436 CD PRO A 176 -6.165 8.302 6.110 1.00 0.00 C ATOM 0 HA PRO A 176 -7.791 5.840 6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 176 -8.806 8.701 7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 176 -8.475 7.527 8.382 1.00 0.00 H new ATOM 0 HG2 PRO A 176 -6.660 9.473 7.885 1.00 0.00 H new ATOM 0 HG3 PRO A 176 -6.096 7.854 8.246 1.00 0.00 H new ATOM 0 HD2 PRO A 176 -6.261 9.243 5.569 1.00 0.00 H new ATOM 0 HD3 PRO A 176 -5.108 8.037 6.104 1.00 0.00 H new ATOM 1444 N LYS A 177 -10.067 5.620 5.999 1.00 0.00 N ATOM 1445 CA LYS A 177 -11.362 5.424 5.430 1.00 0.00 C ATOM 1446 C LYS A 177 -12.303 6.306 6.163 1.00 0.00 C ATOM 1447 O LYS A 177 -12.271 6.404 7.391 1.00 0.00 O ATOM 1448 CB LYS A 177 -11.878 3.986 5.595 1.00 0.00 C ATOM 1449 CG LYS A 177 -13.162 3.696 4.799 1.00 0.00 C ATOM 1450 CD LYS A 177 -13.667 2.255 4.934 1.00 0.00 C ATOM 1451 CE LYS A 177 -14.001 1.846 6.373 1.00 0.00 C ATOM 1452 NZ LYS A 177 -14.991 2.768 6.972 1.00 0.00 N ATOM 0 H LYS A 177 -9.779 4.902 6.664 1.00 0.00 H new ATOM 0 HA LYS A 177 -11.295 5.641 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -11.100 3.291 5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -12.065 3.795 6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -13.945 4.377 5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -12.980 3.909 3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -14.557 2.133 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -12.910 1.577 4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -14.393 0.829 6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -13.092 1.843 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 -15.288 2.403 7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 -14.562 3.708 7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -15.819 2.842 6.347 1.00 0.00 H new