USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 383 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 MET CE :methyl 153:sc= -0.212 (180deg=-0.988) USER MOD Set 1.2: A 89 CYS SG : rot 28:sc= 0.0473 USER MOD Single : A 72 SER OG : rot 25:sc= 0.28 USER MOD Single : A 74 LYS NZ :NH3+ -156:sc= 1.17 (180deg=1.07) USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= 1.3 (180deg=1.09) USER MOD Single : A 79 CYS SG : rot -13:sc= -0.652! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.067) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.14 K(o=1.1,f=-0.14) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.58 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 111 TYR OH : rot -126:sc= 0.0571 USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.762 USER MOD Single : A 121 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.2!) USER MOD Single : A 123 LYS NZ :NH3+ 164:sc= -0.0449 (180deg=-0.324) USER MOD ----------------------------------------------------------------- ATOM 100 N SER A 72 9.351 6.912 -2.068 1.00 0.00 N ATOM 101 CA SER A 72 9.681 6.967 -0.667 1.00 0.00 C ATOM 102 C SER A 72 8.412 7.046 0.192 1.00 0.00 C ATOM 103 O SER A 72 7.662 8.032 0.155 1.00 0.00 O ATOM 104 CB SER A 72 10.604 8.145 -0.418 1.00 0.00 C ATOM 105 OG SER A 72 11.703 8.080 -1.313 1.00 0.00 O ATOM 0 HA SER A 72 10.199 6.052 -0.379 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.063 9.081 -0.557 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.959 8.132 0.613 1.00 0.00 H new ATOM 0 HG SER A 72 11.443 7.579 -2.114 1.00 0.00 H new ATOM 111 N TRP A 73 8.165 5.998 0.918 1.00 0.00 N ATOM 112 CA TRP A 73 7.012 5.888 1.775 1.00 0.00 C ATOM 113 C TRP A 73 7.428 5.780 3.229 1.00 0.00 C ATOM 114 O TRP A 73 8.540 5.335 3.525 1.00 0.00 O ATOM 115 CB TRP A 73 6.172 4.673 1.382 1.00 0.00 C ATOM 116 CG TRP A 73 5.500 4.824 0.059 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.807 4.195 -1.115 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.407 5.690 -0.223 1.00 0.00 C ATOM 119 NE1 TRP A 73 4.953 4.620 -2.103 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.088 5.535 -1.577 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.662 6.583 0.551 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.061 6.238 -2.180 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.647 7.277 -0.048 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.354 7.101 -1.402 1.00 0.00 C ATOM 0 H TRP A 73 8.769 5.176 0.935 1.00 0.00 H new ATOM 0 HA TRP A 73 6.412 6.790 1.653 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.811 3.790 1.359 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.416 4.499 2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.600 3.474 -1.246 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.964 4.303 -3.072 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.883 6.722 1.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 2.830 6.107 -3.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.062 7.973 0.536 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.545 7.665 -1.843 1.00 0.00 H new ATOM 135 N LYS A 74 6.579 6.234 4.134 1.00 0.00 N ATOM 136 CA LYS A 74 6.854 6.076 5.539 1.00 0.00 C ATOM 137 C LYS A 74 5.610 5.550 6.243 1.00 0.00 C ATOM 138 O LYS A 74 4.499 5.644 5.712 1.00 0.00 O ATOM 139 CB LYS A 74 7.336 7.364 6.221 1.00 0.00 C ATOM 140 CG LYS A 74 6.249 8.365 6.517 1.00 0.00 C ATOM 141 CD LYS A 74 6.771 9.445 7.437 1.00 0.00 C ATOM 142 CE LYS A 74 5.653 10.288 8.005 1.00 0.00 C ATOM 143 NZ LYS A 74 4.964 11.084 6.976 1.00 0.00 N ATOM 0 H LYS A 74 5.703 6.710 3.918 1.00 0.00 H new ATOM 0 HA LYS A 74 7.674 5.363 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.832 7.100 7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.084 7.838 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.891 8.810 5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.398 7.863 6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.332 8.988 8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.466 10.083 6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.931 9.640 8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.057 10.956 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.515 11.911 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.653 11.404 6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.237 10.501 6.515 1.00 0.00 H new ATOM 157 N VAL A 75 5.810 4.985 7.397 1.00 0.00 N ATOM 158 CA VAL A 75 4.750 4.428 8.214 1.00 0.00 C ATOM 159 C VAL A 75 3.779 5.519 8.691 1.00 0.00 C ATOM 160 O VAL A 75 4.208 6.608 9.098 1.00 0.00 O ATOM 161 CB VAL A 75 5.340 3.636 9.417 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.253 3.125 10.336 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.171 2.468 8.911 1.00 0.00 C ATOM 0 H VAL A 75 6.736 4.892 7.815 1.00 0.00 H new ATOM 0 HA VAL A 75 4.182 3.732 7.596 1.00 0.00 H new ATOM 0 HB VAL A 75 5.970 4.319 9.987 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.704 2.577 11.164 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.681 3.967 10.727 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.589 2.462 9.781 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.581 1.919 9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.542 1.804 8.318 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.987 2.843 8.293 1.00 0.00 H new ATOM 173 N GLY A 76 2.492 5.228 8.619 1.00 0.00 N ATOM 174 CA GLY A 76 1.484 6.150 9.079 1.00 0.00 C ATOM 175 C GLY A 76 1.076 7.126 8.015 1.00 0.00 C ATOM 176 O GLY A 76 0.551 8.203 8.317 1.00 0.00 O ATOM 0 H GLY A 76 2.125 4.354 8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.609 5.592 9.411 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.861 6.696 9.944 1.00 0.00 H new ATOM 180 N ASP A 77 1.304 6.768 6.774 1.00 0.00 N ATOM 181 CA ASP A 77 0.991 7.651 5.671 1.00 0.00 C ATOM 182 C ASP A 77 -0.102 7.083 4.847 1.00 0.00 C ATOM 183 O ASP A 77 -0.285 5.856 4.799 1.00 0.00 O ATOM 184 CB ASP A 77 2.183 7.857 4.762 1.00 0.00 C ATOM 185 CG ASP A 77 2.539 9.312 4.592 1.00 0.00 C ATOM 186 OD1 ASP A 77 3.209 9.878 5.466 1.00 0.00 O ATOM 187 OD2 ASP A 77 2.164 9.923 3.571 1.00 0.00 O ATOM 0 H ASP A 77 1.705 5.871 6.500 1.00 0.00 H new ATOM 0 HA ASP A 77 0.695 8.604 6.110 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.041 7.322 5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.970 7.423 3.785 1.00 0.00 H new ATOM 192 N LYS A 78 -0.815 7.946 4.201 1.00 0.00 N ATOM 193 CA LYS A 78 -1.831 7.569 3.309 1.00 0.00 C ATOM 194 C LYS A 78 -1.302 7.451 1.926 1.00 0.00 C ATOM 195 O LYS A 78 -0.553 8.302 1.439 1.00 0.00 O ATOM 196 CB LYS A 78 -2.977 8.544 3.352 1.00 0.00 C ATOM 197 CG LYS A 78 -3.844 8.379 4.553 1.00 0.00 C ATOM 198 CD LYS A 78 -4.630 7.083 4.453 1.00 0.00 C ATOM 199 CE LYS A 78 -5.592 6.894 5.597 1.00 0.00 C ATOM 200 NZ LYS A 78 -6.672 7.903 5.595 1.00 0.00 N ATOM 0 H LYS A 78 -0.694 8.955 4.290 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.203 6.593 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.582 9.560 3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.583 8.422 2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.232 8.374 5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.528 9.223 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.183 7.070 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.935 6.243 4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.029 5.897 5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.047 6.950 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.398 7.636 6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.279 8.833 5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.101 7.951 4.649 1.00 0.00 H new ATOM 214 N CYS A 79 -1.692 6.416 1.312 1.00 0.00 N ATOM 215 CA CYS A 79 -1.316 6.121 -0.015 1.00 0.00 C ATOM 216 C CYS A 79 -2.474 5.434 -0.659 1.00 0.00 C ATOM 217 O CYS A 79 -3.501 5.220 -0.017 1.00 0.00 O ATOM 218 CB CYS A 79 -0.095 5.215 -0.001 1.00 0.00 C ATOM 219 SG CYS A 79 -0.315 3.709 0.977 1.00 0.00 S ATOM 0 H CYS A 79 -2.307 5.717 1.729 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.061 7.025 -0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.153 4.939 -1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.755 5.772 0.393 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.385 3.818 1.707 1.00 0.00 H new ATOM 225 N MET A 80 -2.369 5.142 -1.890 1.00 0.00 N ATOM 226 CA MET A 80 -3.370 4.375 -2.520 1.00 0.00 C ATOM 227 C MET A 80 -2.746 3.103 -2.939 1.00 0.00 C ATOM 228 O MET A 80 -1.684 3.107 -3.528 1.00 0.00 O ATOM 229 CB MET A 80 -4.022 5.093 -3.691 1.00 0.00 C ATOM 230 CG MET A 80 -4.660 6.416 -3.311 1.00 0.00 C ATOM 231 SD MET A 80 -5.785 7.028 -4.566 1.00 0.00 S ATOM 232 CE MET A 80 -7.071 5.780 -4.438 1.00 0.00 C ATOM 0 H MET A 80 -1.594 5.423 -2.491 1.00 0.00 H new ATOM 0 HA MET A 80 -4.184 4.195 -1.818 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.272 5.269 -4.462 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.782 4.444 -4.127 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.200 6.298 -2.372 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.878 7.155 -3.138 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.024 6.206 -4.751 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.823 4.935 -5.080 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.147 5.440 -3.405 1.00 0.00 H new ATOM 242 N ALA A 81 -3.369 2.040 -2.622 1.00 0.00 N ATOM 243 CA ALA A 81 -2.823 0.762 -2.881 1.00 0.00 C ATOM 244 C ALA A 81 -3.716 0.018 -3.796 1.00 0.00 C ATOM 245 O ALA A 81 -4.925 0.254 -3.826 1.00 0.00 O ATOM 246 CB ALA A 81 -2.646 -0.004 -1.592 1.00 0.00 C ATOM 0 H ALA A 81 -4.283 2.026 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.846 0.881 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.225 -0.986 -1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.972 0.543 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.613 -0.123 -1.104 1.00 0.00 H new ATOM 252 N VAL A 82 -3.135 -0.832 -4.555 1.00 0.00 N ATOM 253 CA VAL A 82 -3.856 -1.678 -5.442 1.00 0.00 C ATOM 254 C VAL A 82 -4.298 -2.898 -4.676 1.00 0.00 C ATOM 255 O VAL A 82 -3.464 -3.659 -4.188 1.00 0.00 O ATOM 256 CB VAL A 82 -2.972 -2.077 -6.647 1.00 0.00 C ATOM 257 CG1 VAL A 82 -3.674 -3.083 -7.543 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.603 -0.834 -7.436 1.00 0.00 C ATOM 0 H VAL A 82 -2.124 -0.966 -4.582 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.727 -1.153 -5.834 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.067 -2.552 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.024 -3.341 -8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.903 -3.982 -6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.599 -2.649 -7.923 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.980 -1.114 -8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.510 -0.349 -7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.053 -0.145 -6.794 1.00 0.00 H new ATOM 268 N TRP A 83 -5.598 -3.043 -4.538 1.00 0.00 N ATOM 269 CA TRP A 83 -6.191 -4.145 -3.824 1.00 0.00 C ATOM 270 C TRP A 83 -5.848 -5.414 -4.551 1.00 0.00 C ATOM 271 O TRP A 83 -6.156 -5.540 -5.718 1.00 0.00 O ATOM 272 CB TRP A 83 -7.717 -3.965 -3.794 1.00 0.00 C ATOM 273 CG TRP A 83 -8.431 -4.876 -2.854 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.913 -5.444 -1.746 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.810 -5.283 -2.905 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.855 -6.190 -1.109 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.035 -6.102 -1.787 1.00 0.00 C ATOM 278 CE3 TRP A 83 -10.872 -5.040 -3.778 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.268 -6.677 -1.516 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.098 -5.613 -3.507 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.285 -6.422 -2.385 1.00 0.00 C ATOM 0 H TRP A 83 -6.279 -2.389 -4.925 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.815 -4.185 -2.802 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -7.943 -2.934 -3.522 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.108 -4.122 -4.799 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.893 -5.323 -1.411 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.703 -6.731 -0.258 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -10.737 -4.416 -4.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.416 -7.303 -0.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -12.927 -5.432 -4.175 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.257 -6.855 -2.202 1.00 0.00 H new ATOM 292 N SER A 84 -5.230 -6.342 -3.876 1.00 0.00 N ATOM 293 CA SER A 84 -4.805 -7.587 -4.493 1.00 0.00 C ATOM 294 C SER A 84 -6.013 -8.385 -5.013 1.00 0.00 C ATOM 295 O SER A 84 -5.910 -9.144 -5.982 1.00 0.00 O ATOM 296 CB SER A 84 -3.967 -8.425 -3.499 1.00 0.00 C ATOM 297 OG SER A 84 -3.395 -9.578 -4.120 1.00 0.00 O ATOM 0 H SER A 84 -5.003 -6.266 -2.885 1.00 0.00 H new ATOM 0 HA SER A 84 -4.175 -7.348 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.172 -7.806 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.597 -8.737 -2.666 1.00 0.00 H new ATOM 0 HG SER A 84 -2.872 -10.080 -3.460 1.00 0.00 H new ATOM 303 N GLU A 85 -7.159 -8.147 -4.419 1.00 0.00 N ATOM 304 CA GLU A 85 -8.351 -8.889 -4.757 1.00 0.00 C ATOM 305 C GLU A 85 -9.006 -8.401 -6.038 1.00 0.00 C ATOM 306 O GLU A 85 -9.461 -9.212 -6.842 1.00 0.00 O ATOM 307 CB GLU A 85 -9.331 -8.812 -3.630 1.00 0.00 C ATOM 308 CG GLU A 85 -8.853 -9.468 -2.358 1.00 0.00 C ATOM 309 CD GLU A 85 -8.780 -10.959 -2.481 1.00 0.00 C ATOM 310 OE1 GLU A 85 -9.833 -11.623 -2.335 1.00 0.00 O ATOM 311 OE2 GLU A 85 -7.686 -11.508 -2.702 1.00 0.00 O ATOM 0 H GLU A 85 -7.291 -7.441 -3.695 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.047 -9.922 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.553 -7.765 -3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.265 -9.281 -3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.869 -9.078 -2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.525 -9.205 -1.541 1.00 0.00 H new ATOM 318 N ASP A 86 -9.082 -7.093 -6.243 1.00 0.00 N ATOM 319 CA ASP A 86 -9.745 -6.633 -7.469 1.00 0.00 C ATOM 320 C ASP A 86 -8.802 -5.921 -8.396 1.00 0.00 C ATOM 321 O ASP A 86 -9.085 -5.756 -9.566 1.00 0.00 O ATOM 322 CB ASP A 86 -10.958 -5.759 -7.174 1.00 0.00 C ATOM 323 CG ASP A 86 -11.899 -5.672 -8.365 1.00 0.00 C ATOM 324 OD1 ASP A 86 -12.656 -6.642 -8.596 1.00 0.00 O ATOM 325 OD2 ASP A 86 -11.892 -4.658 -9.093 1.00 0.00 O ATOM 0 H ASP A 86 -8.720 -6.367 -5.625 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.093 -7.534 -7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.495 -6.162 -6.316 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.626 -4.758 -6.900 1.00 0.00 H new ATOM 330 N GLY A 87 -7.669 -5.519 -7.886 1.00 0.00 N ATOM 331 CA GLY A 87 -6.682 -4.866 -8.738 1.00 0.00 C ATOM 332 C GLY A 87 -6.931 -3.380 -8.928 1.00 0.00 C ATOM 333 O GLY A 87 -6.258 -2.725 -9.726 1.00 0.00 O ATOM 0 H GLY A 87 -7.399 -5.624 -6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.691 -5.008 -8.306 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.677 -5.353 -9.713 1.00 0.00 H new ATOM 337 N GLN A 88 -7.907 -2.856 -8.226 1.00 0.00 N ATOM 338 CA GLN A 88 -8.202 -1.425 -8.280 1.00 0.00 C ATOM 339 C GLN A 88 -7.467 -0.709 -7.168 1.00 0.00 C ATOM 340 O GLN A 88 -7.046 -1.344 -6.196 1.00 0.00 O ATOM 341 CB GLN A 88 -9.694 -1.171 -8.159 1.00 0.00 C ATOM 342 CG GLN A 88 -10.519 -1.839 -9.234 1.00 0.00 C ATOM 343 CD GLN A 88 -10.198 -1.326 -10.616 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.803 -0.373 -11.092 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.265 -1.951 -11.273 1.00 0.00 N ATOM 0 H GLN A 88 -8.517 -3.391 -7.607 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.868 -1.042 -9.244 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.034 -1.521 -7.184 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.873 -0.096 -8.193 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.348 -2.915 -9.201 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.577 -1.678 -9.027 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.782 -2.741 -10.845 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.017 -1.651 -12.216 1.00 0.00 H new ATOM 354 N CYS A 89 -7.321 0.586 -7.291 1.00 0.00 N ATOM 355 CA CYS A 89 -6.611 1.349 -6.294 1.00 0.00 C ATOM 356 C CYS A 89 -7.581 1.925 -5.270 1.00 0.00 C ATOM 357 O CYS A 89 -8.647 2.441 -5.624 1.00 0.00 O ATOM 358 CB CYS A 89 -5.786 2.459 -6.957 1.00 0.00 C ATOM 359 SG CYS A 89 -6.752 3.581 -7.998 1.00 0.00 S ATOM 0 H CYS A 89 -7.684 1.134 -8.071 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.925 0.684 -5.770 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.289 3.040 -6.180 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.004 2.002 -7.563 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.973 3.639 -7.557 1.00 0.00 H new ATOM 365 N TYR A 90 -7.215 1.820 -4.017 1.00 0.00 N ATOM 366 CA TYR A 90 -8.008 2.301 -2.904 1.00 0.00 C ATOM 367 C TYR A 90 -7.103 2.977 -1.906 1.00 0.00 C ATOM 368 O TYR A 90 -5.904 2.703 -1.890 1.00 0.00 O ATOM 369 CB TYR A 90 -8.734 1.146 -2.236 1.00 0.00 C ATOM 370 CG TYR A 90 -9.769 0.486 -3.106 1.00 0.00 C ATOM 371 CD1 TYR A 90 -11.053 0.979 -3.160 1.00 0.00 C ATOM 372 CD2 TYR A 90 -9.460 -0.640 -3.857 1.00 0.00 C ATOM 373 CE1 TYR A 90 -12.011 0.375 -3.946 1.00 0.00 C ATOM 374 CE2 TYR A 90 -10.404 -1.255 -4.640 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.682 -0.744 -4.683 1.00 0.00 C ATOM 376 OH TYR A 90 -12.628 -1.347 -5.466 1.00 0.00 O ATOM 0 H TYR A 90 -6.336 1.388 -3.732 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.748 3.012 -3.272 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.002 0.399 -1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.216 1.510 -1.329 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.314 1.851 -2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.457 -1.040 -3.824 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -13.013 0.775 -3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.147 -2.131 -5.217 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.233 -2.121 -5.919 1.00 0.00 H new ATOM 386 N GLU A 91 -7.652 3.845 -1.089 1.00 0.00 N ATOM 387 CA GLU A 91 -6.850 4.587 -0.137 1.00 0.00 C ATOM 388 C GLU A 91 -6.468 3.672 1.010 1.00 0.00 C ATOM 389 O GLU A 91 -7.320 3.046 1.628 1.00 0.00 O ATOM 390 CB GLU A 91 -7.609 5.796 0.397 1.00 0.00 C ATOM 391 CG GLU A 91 -6.744 6.775 1.183 1.00 0.00 C ATOM 392 CD GLU A 91 -7.533 7.922 1.771 1.00 0.00 C ATOM 393 OE1 GLU A 91 -8.040 8.775 1.005 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.642 8.006 3.024 1.00 0.00 O ATOM 0 H GLU A 91 -8.649 4.057 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.954 4.948 -0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.067 6.323 -0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.420 5.449 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.238 6.240 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.969 7.173 0.528 1.00 0.00 H new ATOM 401 N ALA A 92 -5.212 3.590 1.275 1.00 0.00 N ATOM 402 CA ALA A 92 -4.705 2.738 2.311 1.00 0.00 C ATOM 403 C ALA A 92 -3.623 3.432 3.094 1.00 0.00 C ATOM 404 O ALA A 92 -2.916 4.289 2.575 1.00 0.00 O ATOM 405 CB ALA A 92 -4.185 1.457 1.716 1.00 0.00 C ATOM 0 H ALA A 92 -4.493 4.115 0.777 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.520 2.504 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.802 0.816 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.993 0.944 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.383 1.682 1.013 1.00 0.00 H new ATOM 411 N GLU A 93 -3.495 3.069 4.326 1.00 0.00 N ATOM 412 CA GLU A 93 -2.518 3.652 5.191 1.00 0.00 C ATOM 413 C GLU A 93 -1.458 2.629 5.544 1.00 0.00 C ATOM 414 O GLU A 93 -1.777 1.481 5.850 1.00 0.00 O ATOM 415 CB GLU A 93 -3.196 4.202 6.430 1.00 0.00 C ATOM 416 CG GLU A 93 -2.263 4.811 7.442 1.00 0.00 C ATOM 417 CD GLU A 93 -3.015 5.494 8.544 1.00 0.00 C ATOM 418 OE1 GLU A 93 -3.528 4.806 9.437 1.00 0.00 O ATOM 419 OE2 GLU A 93 -3.104 6.732 8.536 1.00 0.00 O ATOM 0 H GLU A 93 -4.070 2.352 4.768 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.023 4.478 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.922 4.956 6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.754 3.398 6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.625 4.034 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.608 5.529 6.948 1.00 0.00 H new ATOM 426 N ILE A 94 -0.225 3.039 5.447 1.00 0.00 N ATOM 427 CA ILE A 94 0.926 2.199 5.734 1.00 0.00 C ATOM 428 C ILE A 94 1.071 1.932 7.222 1.00 0.00 C ATOM 429 O ILE A 94 1.188 2.860 8.038 1.00 0.00 O ATOM 430 CB ILE A 94 2.204 2.858 5.197 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.044 3.117 3.708 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.417 1.970 5.458 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.087 4.021 3.133 1.00 0.00 C ATOM 0 H ILE A 94 0.024 3.986 5.161 1.00 0.00 H new ATOM 0 HA ILE A 94 0.769 1.242 5.236 1.00 0.00 H new ATOM 0 HB ILE A 94 2.365 3.804 5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.072 2.164 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.061 3.553 3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.313 2.455 5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.527 1.810 6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.279 1.010 4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.904 4.156 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.046 4.988 3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.072 3.578 3.278 1.00 0.00 H new ATOM 445 N GLU A 95 1.087 0.679 7.549 1.00 0.00 N ATOM 446 CA GLU A 95 1.222 0.220 8.901 1.00 0.00 C ATOM 447 C GLU A 95 2.658 -0.142 9.196 1.00 0.00 C ATOM 448 O GLU A 95 3.166 0.126 10.274 1.00 0.00 O ATOM 449 CB GLU A 95 0.348 -0.991 9.084 1.00 0.00 C ATOM 450 CG GLU A 95 -1.110 -0.688 8.888 1.00 0.00 C ATOM 451 CD GLU A 95 -1.673 0.150 10.002 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.849 -0.377 11.129 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.912 1.342 9.800 1.00 0.00 O ATOM 0 H GLU A 95 1.005 -0.075 6.868 1.00 0.00 H new ATOM 0 HA GLU A 95 0.920 1.013 9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.652 -1.764 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.500 -1.396 10.085 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.246 -0.168 7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.667 -1.622 8.822 1.00 0.00 H new ATOM 460 N GLU A 96 3.305 -0.733 8.233 1.00 0.00 N ATOM 461 CA GLU A 96 4.648 -1.188 8.380 1.00 0.00 C ATOM 462 C GLU A 96 5.294 -1.240 7.013 1.00 0.00 C ATOM 463 O GLU A 96 4.595 -1.378 6.018 1.00 0.00 O ATOM 464 CB GLU A 96 4.631 -2.565 9.057 1.00 0.00 C ATOM 465 CG GLU A 96 5.954 -3.264 9.070 1.00 0.00 C ATOM 466 CD GLU A 96 5.985 -4.447 9.981 1.00 0.00 C ATOM 467 OE1 GLU A 96 5.615 -5.555 9.556 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.421 -4.299 11.140 1.00 0.00 O ATOM 0 H GLU A 96 2.904 -0.913 7.312 1.00 0.00 H new ATOM 0 HA GLU A 96 5.230 -0.511 9.005 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.286 -2.447 10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.904 -3.198 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.197 -3.587 8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.727 -2.559 9.374 1.00 0.00 H new ATOM 475 N ILE A 97 6.596 -1.069 6.957 1.00 0.00 N ATOM 476 CA ILE A 97 7.318 -1.127 5.708 1.00 0.00 C ATOM 477 C ILE A 97 8.401 -2.181 5.803 1.00 0.00 C ATOM 478 O ILE A 97 9.076 -2.302 6.828 1.00 0.00 O ATOM 479 CB ILE A 97 7.982 0.237 5.368 1.00 0.00 C ATOM 480 CG1 ILE A 97 6.934 1.334 5.304 1.00 0.00 C ATOM 481 CG2 ILE A 97 8.749 0.164 4.038 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.509 2.698 5.089 1.00 0.00 C ATOM 0 H ILE A 97 7.181 -0.887 7.772 1.00 0.00 H new ATOM 0 HA ILE A 97 6.605 -1.373 4.921 1.00 0.00 H new ATOM 0 HB ILE A 97 8.693 0.470 6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.236 1.112 4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.361 1.332 6.231 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.203 1.132 3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.529 -0.594 4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.060 -0.098 3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.703 3.431 5.054 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.185 2.941 5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.058 2.717 4.148 1.00 0.00 H new ATOM 494 N ASP A 98 8.541 -2.950 4.768 1.00 0.00 N ATOM 495 CA ASP A 98 9.587 -3.917 4.662 1.00 0.00 C ATOM 496 C ASP A 98 10.447 -3.546 3.488 1.00 0.00 C ATOM 497 O ASP A 98 10.110 -3.832 2.327 1.00 0.00 O ATOM 498 CB ASP A 98 9.048 -5.322 4.491 1.00 0.00 C ATOM 499 CG ASP A 98 10.157 -6.354 4.407 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.621 -6.845 5.466 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.597 -6.673 3.304 1.00 0.00 O ATOM 0 H ASP A 98 7.920 -2.922 3.959 1.00 0.00 H new ATOM 0 HA ASP A 98 10.167 -3.913 5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.393 -5.562 5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.441 -5.369 3.587 1.00 0.00 H new ATOM 506 N GLU A 99 11.506 -2.851 3.786 1.00 0.00 N ATOM 507 CA GLU A 99 12.450 -2.348 2.805 1.00 0.00 C ATOM 508 C GLU A 99 13.203 -3.460 2.075 1.00 0.00 C ATOM 509 O GLU A 99 13.710 -3.256 0.965 1.00 0.00 O ATOM 510 CB GLU A 99 13.419 -1.387 3.469 1.00 0.00 C ATOM 511 CG GLU A 99 14.071 -1.938 4.729 1.00 0.00 C ATOM 512 CD GLU A 99 15.039 -0.979 5.340 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.608 0.003 5.967 1.00 0.00 O ATOM 514 OE2 GLU A 99 16.263 -1.178 5.194 1.00 0.00 O ATOM 0 H GLU A 99 11.753 -2.606 4.745 1.00 0.00 H new ATOM 0 HA GLU A 99 11.875 -1.820 2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.199 -1.122 2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.889 -0.468 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.298 -2.182 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.588 -2.867 4.490 1.00 0.00 H new ATOM 521 N GLU A 100 13.277 -4.627 2.688 1.00 0.00 N ATOM 522 CA GLU A 100 13.947 -5.746 2.090 1.00 0.00 C ATOM 523 C GLU A 100 13.228 -6.194 0.831 1.00 0.00 C ATOM 524 O GLU A 100 13.853 -6.386 -0.214 1.00 0.00 O ATOM 525 CB GLU A 100 14.094 -6.893 3.082 1.00 0.00 C ATOM 526 CG GLU A 100 14.737 -8.128 2.474 1.00 0.00 C ATOM 527 CD GLU A 100 15.068 -9.177 3.477 1.00 0.00 C ATOM 528 OE1 GLU A 100 14.148 -9.667 4.165 1.00 0.00 O ATOM 529 OE2 GLU A 100 16.257 -9.568 3.577 1.00 0.00 O ATOM 0 H GLU A 100 12.875 -4.816 3.606 1.00 0.00 H new ATOM 0 HA GLU A 100 14.950 -5.427 1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.693 -6.558 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.111 -7.157 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.063 -8.549 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.648 -7.835 1.952 1.00 0.00 H new ATOM 536 N ASN A 101 11.929 -6.311 0.914 1.00 0.00 N ATOM 537 CA ASN A 101 11.143 -6.726 -0.233 1.00 0.00 C ATOM 538 C ASN A 101 10.596 -5.527 -0.972 1.00 0.00 C ATOM 539 O ASN A 101 9.997 -5.671 -2.051 1.00 0.00 O ATOM 540 CB ASN A 101 9.990 -7.656 0.177 1.00 0.00 C ATOM 541 CG ASN A 101 10.453 -8.982 0.742 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.627 -9.963 0.010 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.655 -9.033 2.025 1.00 0.00 N ATOM 0 H ASN A 101 11.388 -6.127 1.759 1.00 0.00 H new ATOM 0 HA ASN A 101 11.808 -7.279 -0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.372 -7.150 0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.357 -7.841 -0.691 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.967 -9.902 2.458 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.501 -8.204 2.599 1.00 0.00 H new ATOM 550 N GLY A 102 10.808 -4.340 -0.406 1.00 0.00 N ATOM 551 CA GLY A 102 10.256 -3.131 -0.984 1.00 0.00 C ATOM 552 C GLY A 102 8.750 -3.182 -0.924 1.00 0.00 C ATOM 553 O GLY A 102 8.055 -2.852 -1.880 1.00 0.00 O ATOM 0 H GLY A 102 11.354 -4.197 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.622 -2.258 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.585 -3.027 -2.018 1.00 0.00 H new ATOM 557 N THR A 103 8.252 -3.617 0.193 1.00 0.00 N ATOM 558 CA THR A 103 6.851 -3.818 0.382 1.00 0.00 C ATOM 559 C THR A 103 6.400 -3.101 1.606 1.00 0.00 C ATOM 560 O THR A 103 7.203 -2.815 2.478 1.00 0.00 O ATOM 561 CB THR A 103 6.540 -5.317 0.534 1.00 0.00 C ATOM 562 OG1 THR A 103 7.363 -5.874 1.579 1.00 0.00 O ATOM 563 CG2 THR A 103 6.814 -6.057 -0.751 1.00 0.00 C ATOM 0 H THR A 103 8.818 -3.845 1.010 1.00 0.00 H new ATOM 0 HA THR A 103 6.325 -3.429 -0.490 1.00 0.00 H new ATOM 0 HB THR A 103 5.485 -5.425 0.784 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.165 -6.829 1.678 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.586 -7.115 -0.617 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.190 -5.649 -1.546 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.864 -5.943 -1.020 1.00 0.00 H new ATOM 571 N ALA A 104 5.160 -2.783 1.660 1.00 0.00 N ATOM 572 CA ALA A 104 4.606 -2.172 2.817 1.00 0.00 C ATOM 573 C ALA A 104 3.284 -2.798 3.147 1.00 0.00 C ATOM 574 O ALA A 104 2.512 -3.178 2.250 1.00 0.00 O ATOM 575 CB ALA A 104 4.459 -0.682 2.618 1.00 0.00 C ATOM 0 H ALA A 104 4.495 -2.938 0.902 1.00 0.00 H new ATOM 0 HA ALA A 104 5.285 -2.332 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.033 -0.235 3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.437 -0.243 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.800 -0.491 1.771 1.00 0.00 H new ATOM 581 N ALA A 105 3.047 -2.956 4.405 1.00 0.00 N ATOM 582 CA ALA A 105 1.808 -3.447 4.879 1.00 0.00 C ATOM 583 C ALA A 105 0.907 -2.285 5.055 1.00 0.00 C ATOM 584 O ALA A 105 1.214 -1.347 5.795 1.00 0.00 O ATOM 585 CB ALA A 105 1.981 -4.192 6.164 1.00 0.00 C ATOM 0 H ALA A 105 3.722 -2.743 5.140 1.00 0.00 H new ATOM 0 HA ALA A 105 1.382 -4.151 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.013 -4.558 6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.654 -5.035 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.403 -3.526 6.917 1.00 0.00 H new ATOM 591 N ILE A 106 -0.169 -2.319 4.373 1.00 0.00 N ATOM 592 CA ILE A 106 -1.083 -1.225 4.357 1.00 0.00 C ATOM 593 C ILE A 106 -2.469 -1.670 4.753 1.00 0.00 C ATOM 594 O ILE A 106 -2.818 -2.838 4.617 1.00 0.00 O ATOM 595 CB ILE A 106 -1.085 -0.514 2.960 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.331 -1.495 1.813 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.198 0.255 2.719 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.775 -1.812 1.559 1.00 0.00 C ATOM 0 H ILE A 106 -0.453 -3.113 3.799 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.749 -0.497 5.096 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.913 0.194 2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.898 -1.083 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.801 -2.423 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.157 0.733 1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.316 1.016 3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.045 -0.430 2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.853 -2.514 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.213 -2.256 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.310 -0.896 1.310 1.00 0.00 H new ATOM 610 N THR A 107 -3.223 -0.760 5.265 1.00 0.00 N ATOM 611 CA THR A 107 -4.573 -1.004 5.656 1.00 0.00 C ATOM 612 C THR A 107 -5.495 -0.061 4.906 1.00 0.00 C ATOM 613 O THR A 107 -5.354 1.164 5.002 1.00 0.00 O ATOM 614 CB THR A 107 -4.724 -0.827 7.174 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.827 -1.736 7.809 1.00 0.00 O ATOM 616 CG2 THR A 107 -6.151 -1.107 7.638 1.00 0.00 C ATOM 0 H THR A 107 -2.913 0.198 5.428 1.00 0.00 H new ATOM 0 HA THR A 107 -4.845 -2.030 5.407 1.00 0.00 H new ATOM 0 HB THR A 107 -4.495 0.205 7.438 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.901 -1.643 8.782 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.216 -0.971 8.718 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.836 -0.418 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.421 -2.132 7.385 1.00 0.00 H new ATOM 624 N PHE A 108 -6.403 -0.631 4.157 1.00 0.00 N ATOM 625 CA PHE A 108 -7.342 0.106 3.350 1.00 0.00 C ATOM 626 C PHE A 108 -8.299 0.870 4.226 1.00 0.00 C ATOM 627 O PHE A 108 -8.977 0.288 5.085 1.00 0.00 O ATOM 628 CB PHE A 108 -8.087 -0.835 2.418 1.00 0.00 C ATOM 629 CG PHE A 108 -7.192 -1.508 1.416 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.817 -0.842 0.264 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.735 -2.805 1.617 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.006 -1.442 -0.670 1.00 0.00 C ATOM 633 CE2 PHE A 108 -5.921 -3.415 0.685 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.555 -2.731 -0.463 1.00 0.00 C ATOM 0 H PHE A 108 -6.513 -1.643 4.089 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.795 0.825 2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.595 -1.596 3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.858 -0.276 1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.167 0.166 0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.020 -3.340 2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.722 -0.906 -1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.570 -4.423 0.850 1.00 0.00 H new ATOM 0 HZ PHE A 108 -4.918 -3.205 -1.195 1.00 0.00 H new ATOM 644 N ALA A 109 -8.335 2.157 4.012 1.00 0.00 N ATOM 645 CA ALA A 109 -9.134 3.066 4.790 1.00 0.00 C ATOM 646 C ALA A 109 -10.599 2.784 4.580 1.00 0.00 C ATOM 647 O ALA A 109 -11.037 2.514 3.452 1.00 0.00 O ATOM 648 CB ALA A 109 -8.810 4.502 4.408 1.00 0.00 C ATOM 0 H ALA A 109 -7.798 2.614 3.275 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.903 2.924 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.420 5.183 5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.755 4.700 4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.023 4.654 3.350 1.00 0.00 H new ATOM 654 N GLY A 110 -11.335 2.774 5.657 1.00 0.00 N ATOM 655 CA GLY A 110 -12.743 2.539 5.586 1.00 0.00 C ATOM 656 C GLY A 110 -13.075 1.076 5.695 1.00 0.00 C ATOM 657 O GLY A 110 -13.856 0.675 6.557 1.00 0.00 O ATOM 0 H GLY A 110 -10.976 2.928 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -13.243 3.085 6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.129 2.929 4.644 1.00 0.00 H new ATOM 661 N TYR A 111 -12.497 0.278 4.824 1.00 0.00 N ATOM 662 CA TYR A 111 -12.744 -1.158 4.809 1.00 0.00 C ATOM 663 C TYR A 111 -12.061 -1.834 5.981 1.00 0.00 C ATOM 664 O TYR A 111 -12.619 -2.734 6.611 1.00 0.00 O ATOM 665 CB TYR A 111 -12.243 -1.772 3.514 1.00 0.00 C ATOM 666 CG TYR A 111 -12.769 -1.095 2.288 1.00 0.00 C ATOM 667 CD1 TYR A 111 -14.040 -1.365 1.821 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.983 -0.193 1.588 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.525 -0.756 0.689 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.454 0.429 0.451 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.736 0.140 0.003 1.00 0.00 C ATOM 672 OH TYR A 111 -14.231 0.754 -1.139 1.00 0.00 O ATOM 0 H TYR A 111 -11.845 0.598 4.108 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.820 -1.311 4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.154 -1.734 3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.525 -2.824 3.487 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.664 -2.067 2.355 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.985 0.026 1.939 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.522 -0.979 0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.833 1.132 -0.084 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.607 0.615 -1.882 1.00 0.00 H new ATOM 682 N GLY A 112 -10.846 -1.420 6.254 1.00 0.00 N ATOM 683 CA GLY A 112 -10.112 -1.979 7.354 1.00 0.00 C ATOM 684 C GLY A 112 -9.291 -3.184 6.959 1.00 0.00 C ATOM 685 O GLY A 112 -8.641 -3.799 7.804 1.00 0.00 O ATOM 0 H GLY A 112 -10.350 -0.700 5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.453 -1.217 7.770 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.809 -2.263 8.143 1.00 0.00 H new ATOM 689 N ASN A 113 -9.319 -3.533 5.682 1.00 0.00 N ATOM 690 CA ASN A 113 -8.539 -4.674 5.196 1.00 0.00 C ATOM 691 C ASN A 113 -7.079 -4.320 5.166 1.00 0.00 C ATOM 692 O ASN A 113 -6.730 -3.150 5.076 1.00 0.00 O ATOM 693 CB ASN A 113 -8.947 -5.118 3.800 1.00 0.00 C ATOM 694 CG ASN A 113 -10.293 -5.802 3.687 1.00 0.00 C ATOM 695 OD1 ASN A 113 -11.260 -5.507 4.407 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.366 -6.720 2.777 1.00 0.00 N ATOM 0 H ASN A 113 -9.865 -3.053 4.966 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.733 -5.496 5.885 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.950 -4.244 3.149 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -8.184 -5.797 3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.239 -7.227 2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.550 -6.936 2.204 1.00 0.00 H new ATOM 703 N ALA A 114 -6.232 -5.303 5.189 1.00 0.00 N ATOM 704 CA ALA A 114 -4.812 -5.057 5.232 1.00 0.00 C ATOM 705 C ALA A 114 -4.075 -6.096 4.452 1.00 0.00 C ATOM 706 O ALA A 114 -4.377 -7.290 4.565 1.00 0.00 O ATOM 707 CB ALA A 114 -4.309 -5.031 6.661 1.00 0.00 C ATOM 0 H ALA A 114 -6.495 -6.289 5.179 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.629 -4.081 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.235 -4.844 6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.818 -4.240 7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.512 -5.991 7.136 1.00 0.00 H new ATOM 713 N GLU A 115 -3.122 -5.660 3.673 1.00 0.00 N ATOM 714 CA GLU A 115 -2.334 -6.550 2.874 1.00 0.00 C ATOM 715 C GLU A 115 -0.918 -6.006 2.746 1.00 0.00 C ATOM 716 O GLU A 115 -0.681 -4.802 2.954 1.00 0.00 O ATOM 717 CB GLU A 115 -2.946 -6.731 1.476 1.00 0.00 C ATOM 718 CG GLU A 115 -2.937 -5.490 0.604 1.00 0.00 C ATOM 719 CD GLU A 115 -3.299 -5.825 -0.842 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.495 -5.915 -1.184 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.365 -6.074 -1.648 1.00 0.00 O ATOM 0 H GLU A 115 -2.872 -4.676 3.577 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.313 -7.522 3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.404 -7.523 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.976 -7.070 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.644 -4.761 0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.951 -5.027 0.636 1.00 0.00 H new ATOM 728 N VAL A 116 0.011 -6.879 2.449 1.00 0.00 N ATOM 729 CA VAL A 116 1.372 -6.488 2.178 1.00 0.00 C ATOM 730 C VAL A 116 1.492 -6.274 0.676 1.00 0.00 C ATOM 731 O VAL A 116 1.339 -7.214 -0.105 1.00 0.00 O ATOM 732 CB VAL A 116 2.385 -7.573 2.649 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.819 -7.154 2.345 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.223 -7.845 4.139 1.00 0.00 C ATOM 0 H VAL A 116 -0.155 -7.884 2.388 1.00 0.00 H new ATOM 0 HA VAL A 116 1.609 -5.576 2.726 1.00 0.00 H new ATOM 0 HB VAL A 116 2.173 -8.489 2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.505 -7.930 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.936 -7.011 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.043 -6.221 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.939 -8.606 4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.403 -6.927 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.211 -8.197 4.337 1.00 0.00 H new ATOM 744 N THR A 117 1.730 -5.070 0.280 1.00 0.00 N ATOM 745 CA THR A 117 1.770 -4.709 -1.115 1.00 0.00 C ATOM 746 C THR A 117 3.083 -3.970 -1.395 1.00 0.00 C ATOM 747 O THR A 117 3.594 -3.260 -0.520 1.00 0.00 O ATOM 748 CB THR A 117 0.518 -3.853 -1.505 1.00 0.00 C ATOM 749 OG1 THR A 117 0.402 -3.708 -2.929 1.00 0.00 O ATOM 750 CG2 THR A 117 0.571 -2.484 -0.870 1.00 0.00 C ATOM 0 H THR A 117 1.906 -4.292 0.916 1.00 0.00 H new ATOM 0 HA THR A 117 1.736 -5.606 -1.733 1.00 0.00 H new ATOM 0 HB THR A 117 -0.356 -4.387 -1.132 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.390 -3.170 -3.140 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.312 -1.914 -1.160 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.597 -2.587 0.215 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.467 -1.961 -1.206 1.00 0.00 H new ATOM 758 N PRO A 118 3.707 -4.206 -2.549 1.00 0.00 N ATOM 759 CA PRO A 118 4.960 -3.573 -2.888 1.00 0.00 C ATOM 760 C PRO A 118 4.797 -2.067 -3.020 1.00 0.00 C ATOM 761 O PRO A 118 3.740 -1.577 -3.435 1.00 0.00 O ATOM 762 CB PRO A 118 5.330 -4.195 -4.230 1.00 0.00 C ATOM 763 CG PRO A 118 4.046 -4.636 -4.804 1.00 0.00 C ATOM 764 CD PRO A 118 3.204 -5.044 -3.641 1.00 0.00 C ATOM 0 HA PRO A 118 5.723 -3.723 -2.125 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.826 -3.473 -4.878 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.016 -5.033 -4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.572 -3.832 -5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.190 -5.467 -5.494 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.145 -4.866 -3.829 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.314 -6.105 -3.417 1.00 0.00 H new ATOM 772 N LEU A 119 5.834 -1.344 -2.663 1.00 0.00 N ATOM 773 CA LEU A 119 5.866 0.123 -2.743 1.00 0.00 C ATOM 774 C LEU A 119 5.546 0.606 -4.161 1.00 0.00 C ATOM 775 O LEU A 119 5.067 1.716 -4.351 1.00 0.00 O ATOM 776 CB LEU A 119 7.230 0.670 -2.309 1.00 0.00 C ATOM 777 CG LEU A 119 7.765 0.180 -0.959 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.100 0.816 -0.657 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.776 0.449 0.160 1.00 0.00 C ATOM 0 H LEU A 119 6.697 -1.751 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 119 5.103 0.500 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.960 0.416 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.167 1.758 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 119 7.902 -0.899 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.465 0.457 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.814 0.552 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.987 1.900 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.187 0.089 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.589 1.521 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.840 -0.069 -0.049 1.00 0.00 H new ATOM 791 N LEU A 120 5.823 -0.247 -5.150 1.00 0.00 N ATOM 792 CA LEU A 120 5.547 0.055 -6.548 1.00 0.00 C ATOM 793 C LEU A 120 4.036 0.128 -6.812 1.00 0.00 C ATOM 794 O LEU A 120 3.597 0.699 -7.809 1.00 0.00 O ATOM 795 CB LEU A 120 6.245 -0.980 -7.478 1.00 0.00 C ATOM 796 CG LEU A 120 5.645 -2.401 -7.568 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.562 -2.466 -8.628 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.723 -3.435 -7.834 1.00 0.00 C ATOM 0 H LEU A 120 6.244 -1.164 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 120 5.960 1.038 -6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.265 -0.563 -8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.281 -1.076 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 120 5.191 -2.632 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.156 -3.477 -8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.766 -1.765 -8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.985 -2.203 -9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.271 -4.425 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.221 -3.207 -8.777 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.453 -3.416 -7.025 1.00 0.00 H new ATOM 810 N ASN A 121 3.252 -0.456 -5.924 1.00 0.00 N ATOM 811 CA ASN A 121 1.802 -0.459 -6.062 1.00 0.00 C ATOM 812 C ASN A 121 1.182 0.644 -5.283 1.00 0.00 C ATOM 813 O ASN A 121 -0.002 0.948 -5.446 1.00 0.00 O ATOM 814 CB ASN A 121 1.195 -1.791 -5.650 1.00 0.00 C ATOM 815 CG ASN A 121 1.304 -2.823 -6.732 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.346 -2.496 -7.907 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.307 -4.062 -6.360 1.00 0.00 N ATOM 0 H ASN A 121 3.596 -0.938 -5.093 1.00 0.00 H new ATOM 0 HA ASN A 121 1.589 -0.303 -7.120 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.696 -2.154 -4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.146 -1.646 -5.393 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.345 -4.804 -7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.271 -4.297 -5.368 1.00 0.00 H new ATOM 824 N LEU A 122 1.959 1.233 -4.425 1.00 0.00 N ATOM 825 CA LEU A 122 1.487 2.340 -3.655 1.00 0.00 C ATOM 826 C LEU A 122 1.583 3.597 -4.481 1.00 0.00 C ATOM 827 O LEU A 122 2.643 3.933 -5.019 1.00 0.00 O ATOM 828 CB LEU A 122 2.289 2.484 -2.365 1.00 0.00 C ATOM 829 CG LEU A 122 2.250 1.286 -1.426 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.058 1.550 -0.179 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.829 0.949 -1.063 1.00 0.00 C ATOM 0 H LEU A 122 2.925 0.963 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 122 0.446 2.166 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.328 2.684 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.921 3.357 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 122 2.692 0.436 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.014 0.679 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.095 1.746 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.650 2.416 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.819 0.091 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.368 1.803 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.270 0.709 -1.967 1.00 0.00 H new ATOM 843 N LYS A 123 0.489 4.270 -4.576 1.00 0.00 N ATOM 844 CA LYS A 123 0.371 5.478 -5.332 1.00 0.00 C ATOM 845 C LYS A 123 0.104 6.602 -4.358 1.00 0.00 C ATOM 846 O LYS A 123 -0.411 6.350 -3.269 1.00 0.00 O ATOM 847 CB LYS A 123 -0.816 5.360 -6.308 1.00 0.00 C ATOM 848 CG LYS A 123 -0.826 4.079 -7.136 1.00 0.00 C ATOM 849 CD LYS A 123 -1.983 4.041 -8.128 1.00 0.00 C ATOM 850 CE LYS A 123 -1.832 5.095 -9.223 1.00 0.00 C ATOM 851 NZ LYS A 123 -0.585 4.915 -10.002 1.00 0.00 N ATOM 0 H LYS A 123 -0.378 3.990 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 123 1.282 5.665 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.745 5.418 -5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.801 6.215 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.116 3.991 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -0.893 3.219 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.039 3.052 -8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -2.921 4.202 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -2.689 5.044 -9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.838 6.088 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -0.646 5.460 -10.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 0.225 5.251 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.458 3.907 -10.225 1.00 0.00 H new ATOM 865 N PRO A 124 0.454 7.837 -4.692 1.00 0.00 N ATOM 866 CA PRO A 124 0.150 8.974 -3.836 1.00 0.00 C ATOM 867 C PRO A 124 -1.354 9.244 -3.822 1.00 0.00 C ATOM 868 O PRO A 124 -2.071 8.890 -4.774 1.00 0.00 O ATOM 869 CB PRO A 124 0.911 10.131 -4.486 1.00 0.00 C ATOM 870 CG PRO A 124 1.069 9.733 -5.913 1.00 0.00 C ATOM 871 CD PRO A 124 1.184 8.237 -5.916 1.00 0.00 C ATOM 0 HA PRO A 124 0.438 8.817 -2.796 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.359 11.067 -4.396 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.879 10.284 -4.009 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.215 10.060 -6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 124 1.955 10.193 -6.350 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.739 7.801 -6.810 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.224 7.913 -5.888 1.00 0.00 H new ATOM 879 N VAL A 125 -1.843 9.821 -2.759 1.00 0.00 N ATOM 880 CA VAL A 125 -3.254 10.106 -2.665 1.00 0.00 C ATOM 881 C VAL A 125 -3.548 11.421 -3.344 1.00 0.00 C ATOM 882 O VAL A 125 -3.308 12.504 -2.782 1.00 0.00 O ATOM 883 CB VAL A 125 -3.785 10.140 -1.213 1.00 0.00 C ATOM 884 CG1 VAL A 125 -5.289 10.346 -1.193 1.00 0.00 C ATOM 885 CG2 VAL A 125 -3.436 8.876 -0.481 1.00 0.00 C ATOM 0 H VAL A 125 -1.292 10.103 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.772 9.287 -3.164 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.307 10.979 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.640 10.366 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.533 11.291 -1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -5.775 9.529 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.821 8.927 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.880 8.023 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -2.353 8.759 -0.453 1.00 0.00 H new