USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 541 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 67 SER OG : rot 180:sc= -0.0483 USER MOD Single : A 71 SER OG : rot 42:sc= 0.873 USER MOD Single : A 79 SER OG : rot -1:sc= 0.0977 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 83 SER OG : rot -66:sc= 0.77 USER MOD Single : A 85 TYR OH : rot 51:sc= 1.26 USER MOD Single : A 94 SER OG : rot -17:sc= 0.8 USER MOD Single : A 97 MET CE :methyl 169:sc= -0.162 (180deg=-0.182) USER MOD Single : A 99 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0263) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -135:sc= -0.722 (180deg=-4.26!) USER MOD Single : A 120 SER OG : rot -52:sc= 0.13 USER MOD Single : A 121 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.2!) USER MOD Single : A 122 SER OG : rot 180:sc= 0.18 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-2.6!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -2.13 X(o=-2.1,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 85 N ARG A 66 -4.272 13.337 1.934 1.00 0.00 N ATOM 86 CA ARG A 66 -5.113 12.384 1.220 1.00 0.00 C ATOM 87 C ARG A 66 -4.635 10.954 1.453 1.00 0.00 C ATOM 88 O ARG A 66 -4.484 10.178 0.510 1.00 0.00 O ATOM 89 CB ARG A 66 -5.114 12.696 -0.278 1.00 0.00 C ATOM 90 CG ARG A 66 -5.855 13.974 -0.634 1.00 0.00 C ATOM 91 CD ARG A 66 -5.524 14.435 -2.045 1.00 0.00 C ATOM 92 NE ARG A 66 -4.130 14.852 -2.171 1.00 0.00 N ATOM 93 CZ ARG A 66 -3.583 15.251 -3.314 1.00 0.00 C ATOM 94 NH1 ARG A 66 -4.309 15.288 -4.423 1.00 0.00 N ATOM 95 NH2 ARG A 66 -2.307 15.614 -3.349 1.00 0.00 N ATOM 0 HA ARG A 66 -6.129 12.475 1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.084 12.775 -0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.567 11.862 -0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.929 13.810 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.593 14.758 0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.725 13.626 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.177 15.264 -2.318 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.545 14.836 -1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.290 15.010 -4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.886 15.595 -5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.745 15.587 -2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.888 15.920 -4.227 1.00 0.00 H new ATOM 109 N SER A 67 -4.396 10.614 2.716 1.00 0.00 N ATOM 110 CA SER A 67 -3.931 9.279 3.072 1.00 0.00 C ATOM 111 C SER A 67 -4.805 8.673 4.165 1.00 0.00 C ATOM 112 O SER A 67 -5.737 9.310 4.656 1.00 0.00 O ATOM 113 CB SER A 67 -2.475 9.332 3.540 1.00 0.00 C ATOM 114 OG SER A 67 -1.611 9.698 2.477 1.00 0.00 O ATOM 0 H SER A 67 -4.517 11.244 3.509 1.00 0.00 H new ATOM 0 HA SER A 67 -3.999 8.649 2.185 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.378 10.049 4.355 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.181 8.359 3.934 1.00 0.00 H new ATOM 0 HG SER A 67 -0.687 9.727 2.802 1.00 0.00 H new ATOM 120 N VAL A 68 -4.498 7.435 4.542 1.00 0.00 N ATOM 121 CA VAL A 68 -5.254 6.741 5.577 1.00 0.00 C ATOM 122 C VAL A 68 -4.393 5.700 6.283 1.00 0.00 C ATOM 123 O VAL A 68 -3.571 5.031 5.656 1.00 0.00 O ATOM 124 CB VAL A 68 -6.501 6.050 4.994 1.00 0.00 C ATOM 125 CG1 VAL A 68 -7.386 7.060 4.279 1.00 0.00 C ATOM 126 CG2 VAL A 68 -6.095 4.925 4.054 1.00 0.00 C ATOM 0 H VAL A 68 -3.731 6.893 4.145 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.569 7.496 6.297 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.074 5.618 5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.262 6.554 3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.705 7.828 4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.826 7.523 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.988 4.447 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.500 5.331 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.505 4.189 4.601 1.00 0.00 H new ATOM 136 N PHE A 69 -4.587 5.567 7.590 1.00 0.00 N ATOM 137 CA PHE A 69 -3.827 4.607 8.382 1.00 0.00 C ATOM 138 C PHE A 69 -4.406 3.203 8.237 1.00 0.00 C ATOM 139 O PHE A 69 -5.594 2.981 8.472 1.00 0.00 O ATOM 140 CB PHE A 69 -3.823 5.019 9.856 1.00 0.00 C ATOM 141 CG PHE A 69 -3.022 4.099 10.733 1.00 0.00 C ATOM 142 CD1 PHE A 69 -3.593 2.952 11.261 1.00 0.00 C ATOM 143 CD2 PHE A 69 -1.699 4.381 11.031 1.00 0.00 C ATOM 144 CE1 PHE A 69 -2.860 2.103 12.068 1.00 0.00 C ATOM 145 CE2 PHE A 69 -0.960 3.536 11.837 1.00 0.00 C ATOM 146 CZ PHE A 69 -1.541 2.396 12.357 1.00 0.00 C ATOM 0 H PHE A 69 -5.264 6.112 8.124 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.802 4.599 8.011 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.423 6.029 9.942 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.850 5.051 10.219 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.624 2.719 11.039 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.240 5.272 10.629 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.317 1.212 12.472 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.071 3.767 12.060 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.966 1.735 12.988 1.00 0.00 H new ATOM 156 N VAL A 70 -3.558 2.257 7.846 1.00 0.00 N ATOM 157 CA VAL A 70 -3.984 0.873 7.669 1.00 0.00 C ATOM 158 C VAL A 70 -3.088 -0.082 8.450 1.00 0.00 C ATOM 159 O VAL A 70 -1.870 -0.094 8.270 1.00 0.00 O ATOM 160 CB VAL A 70 -3.974 0.469 6.183 1.00 0.00 C ATOM 161 CG1 VAL A 70 -4.426 -0.974 6.019 1.00 0.00 C ATOM 162 CG2 VAL A 70 -4.853 1.408 5.370 1.00 0.00 C ATOM 0 H VAL A 70 -2.572 2.423 7.646 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.003 0.804 8.050 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.953 0.549 5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.413 -1.242 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.752 -1.631 6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.438 -1.085 6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.834 1.108 4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.876 1.362 5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.479 2.428 5.462 1.00 0.00 H new ATOM 172 N SER A 71 -3.699 -0.881 9.318 1.00 0.00 N ATOM 173 CA SER A 71 -2.957 -1.839 10.129 1.00 0.00 C ATOM 174 C SER A 71 -3.828 -3.040 10.486 1.00 0.00 C ATOM 175 O SER A 71 -4.981 -3.131 10.066 1.00 0.00 O ATOM 176 CB SER A 71 -2.446 -1.169 11.406 1.00 0.00 C ATOM 177 OG SER A 71 -1.516 -1.998 12.080 1.00 0.00 O ATOM 0 H SER A 71 -4.706 -0.884 9.478 1.00 0.00 H new ATOM 0 HA SER A 71 -2.107 -2.190 9.545 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.976 -0.217 11.158 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.285 -0.948 12.065 1.00 0.00 H new ATOM 0 HG SER A 71 -0.911 -2.409 11.428 1.00 0.00 H new ATOM 183 N GLY A 72 -3.266 -3.960 11.263 1.00 0.00 N ATOM 184 CA GLY A 72 -4.004 -5.144 11.663 1.00 0.00 C ATOM 185 C GLY A 72 -4.196 -6.122 10.521 1.00 0.00 C ATOM 186 O GLY A 72 -5.221 -6.799 10.438 1.00 0.00 O ATOM 0 H GLY A 72 -2.313 -3.907 11.623 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.475 -5.640 12.477 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.979 -4.847 12.050 1.00 0.00 H new ATOM 190 N PHE A 73 -3.208 -6.195 9.635 1.00 0.00 N ATOM 191 CA PHE A 73 -3.273 -7.095 8.489 1.00 0.00 C ATOM 192 C PHE A 73 -2.499 -8.381 8.763 1.00 0.00 C ATOM 193 O PHE A 73 -1.596 -8.426 9.599 1.00 0.00 O ATOM 194 CB PHE A 73 -2.717 -6.407 7.241 1.00 0.00 C ATOM 195 CG PHE A 73 -1.455 -5.633 7.495 1.00 0.00 C ATOM 196 CD1 PHE A 73 -0.230 -6.278 7.551 1.00 0.00 C ATOM 197 CD2 PHE A 73 -1.495 -4.260 7.678 1.00 0.00 C ATOM 198 CE1 PHE A 73 0.932 -5.567 7.786 1.00 0.00 C ATOM 199 CE2 PHE A 73 -0.336 -3.544 7.913 1.00 0.00 C ATOM 200 CZ PHE A 73 0.879 -4.199 7.966 1.00 0.00 C ATOM 0 H PHE A 73 -2.353 -5.642 9.689 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.319 -7.351 8.318 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.524 -7.160 6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.473 -5.732 6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.182 -7.348 7.410 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.442 -3.743 7.637 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.881 -6.081 7.829 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.380 -2.474 8.055 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.786 -3.642 8.148 1.00 0.00 H new ATOM 210 N PRO A 74 -2.860 -9.453 8.043 1.00 0.00 N ATOM 211 CA PRO A 74 -2.213 -10.760 8.189 1.00 0.00 C ATOM 212 C PRO A 74 -0.850 -10.812 7.507 1.00 0.00 C ATOM 213 O PRO A 74 -0.678 -10.293 6.404 1.00 0.00 O ATOM 214 CB PRO A 74 -3.190 -11.719 7.505 1.00 0.00 C ATOM 215 CG PRO A 74 -3.891 -10.885 6.490 1.00 0.00 C ATOM 216 CD PRO A 74 -3.928 -9.472 7.029 1.00 0.00 C ATOM 0 HA PRO A 74 -2.017 -11.003 9.233 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.665 -12.553 7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.893 -12.145 8.221 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.368 -10.920 5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.900 -11.258 6.315 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.746 -8.739 6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.898 -9.236 7.466 1.00 0.00 H new ATOM 224 N ARG A 75 0.114 -11.443 8.169 1.00 0.00 N ATOM 225 CA ARG A 75 1.462 -11.562 7.626 1.00 0.00 C ATOM 226 C ARG A 75 1.424 -12.023 6.172 1.00 0.00 C ATOM 227 O ARG A 75 0.450 -12.631 5.728 1.00 0.00 O ATOM 228 CB ARG A 75 2.287 -12.542 8.461 1.00 0.00 C ATOM 229 CG ARG A 75 1.921 -13.999 8.228 1.00 0.00 C ATOM 230 CD ARG A 75 0.758 -14.429 9.108 1.00 0.00 C ATOM 231 NE ARG A 75 1.091 -14.357 10.528 1.00 0.00 N ATOM 232 CZ ARG A 75 0.305 -14.825 11.492 1.00 0.00 C ATOM 233 NH1 ARG A 75 -0.853 -15.395 11.189 1.00 0.00 N ATOM 234 NH2 ARG A 75 0.677 -14.723 12.761 1.00 0.00 N ATOM 0 H ARG A 75 -0.013 -11.880 9.082 1.00 0.00 H new ATOM 0 HA ARG A 75 1.930 -10.578 7.665 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.343 -12.401 8.233 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.155 -12.307 9.517 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.660 -14.146 7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.786 -14.630 8.433 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.104 -13.794 8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.469 -15.449 8.855 1.00 0.00 H new ATOM 0 HE ARG A 75 1.975 -13.924 10.795 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.142 -15.475 10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.455 -15.753 11.931 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.567 -14.285 12.998 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.073 -15.083 13.500 1.00 0.00 H new ATOM 248 N GLY A 76 2.490 -11.728 5.434 1.00 0.00 N ATOM 249 CA GLY A 76 2.557 -12.119 4.038 1.00 0.00 C ATOM 250 C GLY A 76 2.048 -11.037 3.107 1.00 0.00 C ATOM 251 O GLY A 76 2.507 -10.918 1.971 1.00 0.00 O ATOM 0 H GLY A 76 3.308 -11.225 5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.588 -12.360 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.972 -13.026 3.890 1.00 0.00 H new ATOM 255 N VAL A 77 1.095 -10.245 3.589 1.00 0.00 N ATOM 256 CA VAL A 77 0.522 -9.167 2.792 1.00 0.00 C ATOM 257 C VAL A 77 1.572 -8.116 2.453 1.00 0.00 C ATOM 258 O VAL A 77 2.296 -7.642 3.329 1.00 0.00 O ATOM 259 CB VAL A 77 -0.650 -8.488 3.525 1.00 0.00 C ATOM 260 CG1 VAL A 77 -1.238 -7.373 2.675 1.00 0.00 C ATOM 261 CG2 VAL A 77 -1.716 -9.512 3.888 1.00 0.00 C ATOM 0 H VAL A 77 0.704 -10.330 4.527 1.00 0.00 H new ATOM 0 HA VAL A 77 0.152 -9.617 1.871 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.272 -8.048 4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.065 -6.905 3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.470 -6.627 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.602 -7.786 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.537 -9.015 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.092 -9.983 2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.284 -10.272 4.539 1.00 0.00 H new ATOM 271 N ASP A 78 1.650 -7.755 1.177 1.00 0.00 N ATOM 272 CA ASP A 78 2.612 -6.757 0.722 1.00 0.00 C ATOM 273 C ASP A 78 1.899 -5.536 0.149 1.00 0.00 C ATOM 274 O ASP A 78 0.728 -5.608 -0.224 1.00 0.00 O ATOM 275 CB ASP A 78 3.544 -7.359 -0.330 1.00 0.00 C ATOM 276 CG ASP A 78 4.592 -8.271 0.278 1.00 0.00 C ATOM 277 OD1 ASP A 78 5.106 -7.941 1.368 1.00 0.00 O ATOM 278 OD2 ASP A 78 4.898 -9.314 -0.335 1.00 0.00 O ATOM 0 H ASP A 78 1.059 -8.138 0.439 1.00 0.00 H new ATOM 0 HA ASP A 78 3.203 -6.440 1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.954 -7.921 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.038 -6.555 -0.876 1.00 0.00 H new ATOM 283 N SER A 79 2.612 -4.417 0.084 1.00 0.00 N ATOM 284 CA SER A 79 2.046 -3.179 -0.439 1.00 0.00 C ATOM 285 C SER A 79 1.236 -3.444 -1.704 1.00 0.00 C ATOM 286 O SER A 79 0.086 -3.021 -1.819 1.00 0.00 O ATOM 287 CB SER A 79 3.157 -2.169 -0.732 1.00 0.00 C ATOM 288 OG SER A 79 3.901 -1.875 0.438 1.00 0.00 O ATOM 0 H SER A 79 3.583 -4.342 0.387 1.00 0.00 H new ATOM 0 HA SER A 79 1.380 -2.765 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.822 -2.567 -1.499 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.723 -1.252 -1.131 1.00 0.00 H new ATOM 0 HG SER A 79 3.527 -2.370 1.197 1.00 0.00 H new ATOM 294 N ALA A 80 1.846 -4.147 -2.653 1.00 0.00 N ATOM 295 CA ALA A 80 1.183 -4.471 -3.910 1.00 0.00 C ATOM 296 C ALA A 80 -0.235 -4.976 -3.668 1.00 0.00 C ATOM 297 O ALA A 80 -1.207 -4.343 -4.077 1.00 0.00 O ATOM 298 CB ALA A 80 1.990 -5.505 -4.681 1.00 0.00 C ATOM 0 H ALA A 80 2.799 -4.503 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 80 1.119 -3.560 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.483 -5.738 -5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.982 -5.107 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.084 -6.412 -4.084 1.00 0.00 H new ATOM 304 N GLN A 81 -0.345 -6.121 -3.001 1.00 0.00 N ATOM 305 CA GLN A 81 -1.645 -6.711 -2.707 1.00 0.00 C ATOM 306 C GLN A 81 -2.610 -5.661 -2.167 1.00 0.00 C ATOM 307 O GLN A 81 -3.754 -5.565 -2.615 1.00 0.00 O ATOM 308 CB GLN A 81 -1.495 -7.850 -1.696 1.00 0.00 C ATOM 309 CG GLN A 81 -1.009 -9.151 -2.313 1.00 0.00 C ATOM 310 CD GLN A 81 -1.004 -10.300 -1.324 1.00 0.00 C ATOM 311 OE1 GLN A 81 -1.551 -10.192 -0.226 1.00 0.00 O ATOM 312 NE2 GLN A 81 -0.384 -11.410 -1.709 1.00 0.00 N ATOM 0 H GLN A 81 0.450 -6.658 -2.655 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.053 -7.110 -3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.797 -7.544 -0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.456 -8.024 -1.212 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.646 -9.408 -3.159 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.002 -9.009 -2.704 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.056 -11.456 -2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.348 -12.216 -1.086 1.00 0.00 H new ATOM 321 N LEU A 82 -2.143 -4.876 -1.203 1.00 0.00 N ATOM 322 CA LEU A 82 -2.966 -3.831 -0.601 1.00 0.00 C ATOM 323 C LEU A 82 -3.498 -2.877 -1.665 1.00 0.00 C ATOM 324 O LEU A 82 -4.709 -2.752 -1.851 1.00 0.00 O ATOM 325 CB LEU A 82 -2.157 -3.054 0.439 1.00 0.00 C ATOM 326 CG LEU A 82 -2.009 -3.718 1.808 1.00 0.00 C ATOM 327 CD1 LEU A 82 -0.929 -3.025 2.624 1.00 0.00 C ATOM 328 CD2 LEU A 82 -3.335 -3.704 2.554 1.00 0.00 C ATOM 0 H LEU A 82 -1.200 -4.942 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.814 -4.308 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.161 -2.875 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.624 -2.079 0.579 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.711 -4.756 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.838 -3.512 3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.023 -3.088 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.196 -1.978 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.211 -4.181 3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.663 -2.674 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.083 -4.247 1.977 1.00 0.00 H new ATOM 340 N SER A 83 -2.586 -2.208 -2.363 1.00 0.00 N ATOM 341 CA SER A 83 -2.964 -1.264 -3.408 1.00 0.00 C ATOM 342 C SER A 83 -4.083 -1.832 -4.275 1.00 0.00 C ATOM 343 O SER A 83 -5.147 -1.229 -4.407 1.00 0.00 O ATOM 344 CB SER A 83 -1.753 -0.922 -4.278 1.00 0.00 C ATOM 345 OG SER A 83 -1.346 -2.040 -5.048 1.00 0.00 O ATOM 0 H SER A 83 -1.580 -2.302 -2.224 1.00 0.00 H new ATOM 0 HA SER A 83 -3.326 -0.355 -2.928 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.999 -0.091 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.929 -0.592 -3.646 1.00 0.00 H new ATOM 0 HG SER A 83 -1.020 -2.746 -4.452 1.00 0.00 H new ATOM 351 N GLU A 84 -3.833 -2.998 -4.864 1.00 0.00 N ATOM 352 CA GLU A 84 -4.819 -3.648 -5.719 1.00 0.00 C ATOM 353 C GLU A 84 -6.167 -3.754 -5.012 1.00 0.00 C ATOM 354 O GLU A 84 -7.217 -3.539 -5.618 1.00 0.00 O ATOM 355 CB GLU A 84 -4.334 -5.040 -6.127 1.00 0.00 C ATOM 356 CG GLU A 84 -4.896 -5.515 -7.457 1.00 0.00 C ATOM 357 CD GLU A 84 -4.959 -7.027 -7.557 1.00 0.00 C ATOM 358 OE1 GLU A 84 -5.277 -7.675 -6.538 1.00 0.00 O ATOM 359 OE2 GLU A 84 -4.691 -7.561 -8.653 1.00 0.00 O ATOM 0 H GLU A 84 -2.957 -3.511 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.945 -3.038 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.245 -5.034 -6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.609 -5.754 -5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.896 -5.104 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.279 -5.126 -8.267 1.00 0.00 H new ATOM 366 N TYR A 85 -6.130 -4.088 -3.727 1.00 0.00 N ATOM 367 CA TYR A 85 -7.347 -4.226 -2.937 1.00 0.00 C ATOM 368 C TYR A 85 -7.985 -2.865 -2.675 1.00 0.00 C ATOM 369 O TYR A 85 -9.195 -2.761 -2.474 1.00 0.00 O ATOM 370 CB TYR A 85 -7.043 -4.922 -1.609 1.00 0.00 C ATOM 371 CG TYR A 85 -8.145 -4.780 -0.584 1.00 0.00 C ATOM 372 CD1 TYR A 85 -9.409 -5.310 -0.815 1.00 0.00 C ATOM 373 CD2 TYR A 85 -7.923 -4.117 0.616 1.00 0.00 C ATOM 374 CE1 TYR A 85 -10.419 -5.182 0.118 1.00 0.00 C ATOM 375 CE2 TYR A 85 -8.927 -3.985 1.556 1.00 0.00 C ATOM 376 CZ TYR A 85 -10.173 -4.519 1.302 1.00 0.00 C ATOM 377 OH TYR A 85 -11.176 -4.390 2.235 1.00 0.00 O ATOM 0 H TYR A 85 -5.269 -4.268 -3.210 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.051 -4.834 -3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.867 -5.981 -1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.120 -4.513 -1.197 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.605 -5.831 -1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.949 -3.697 0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.396 -5.599 -0.078 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.737 -3.467 2.484 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.571 -5.269 2.414 1.00 0.00 H new ATOM 387 N PHE A 86 -7.161 -1.822 -2.681 1.00 0.00 N ATOM 388 CA PHE A 86 -7.642 -0.466 -2.445 1.00 0.00 C ATOM 389 C PHE A 86 -8.011 0.217 -3.759 1.00 0.00 C ATOM 390 O PHE A 86 -8.700 1.238 -3.769 1.00 0.00 O ATOM 391 CB PHE A 86 -6.579 0.355 -1.712 1.00 0.00 C ATOM 392 CG PHE A 86 -6.532 0.091 -0.234 1.00 0.00 C ATOM 393 CD1 PHE A 86 -7.696 0.064 0.516 1.00 0.00 C ATOM 394 CD2 PHE A 86 -5.322 -0.130 0.405 1.00 0.00 C ATOM 395 CE1 PHE A 86 -7.656 -0.179 1.876 1.00 0.00 C ATOM 396 CE2 PHE A 86 -5.276 -0.373 1.765 1.00 0.00 C ATOM 397 CZ PHE A 86 -6.444 -0.397 2.501 1.00 0.00 C ATOM 0 H PHE A 86 -6.157 -1.890 -2.847 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.536 -0.528 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.602 0.137 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.772 1.415 -1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.646 0.235 0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.405 -0.112 -0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -8.571 -0.198 2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.327 -0.544 2.252 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.410 -0.586 3.564 1.00 0.00 H new ATOM 407 N LEU A 87 -7.549 -0.354 -4.865 1.00 0.00 N ATOM 408 CA LEU A 87 -7.829 0.199 -6.186 1.00 0.00 C ATOM 409 C LEU A 87 -9.319 0.124 -6.502 1.00 0.00 C ATOM 410 O LEU A 87 -9.822 0.864 -7.348 1.00 0.00 O ATOM 411 CB LEU A 87 -7.031 -0.551 -7.254 1.00 0.00 C ATOM 412 CG LEU A 87 -5.565 -0.145 -7.405 1.00 0.00 C ATOM 413 CD1 LEU A 87 -4.865 -1.036 -8.420 1.00 0.00 C ATOM 414 CD2 LEU A 87 -5.455 1.317 -7.813 1.00 0.00 C ATOM 0 H LEU A 87 -6.979 -1.200 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.528 1.247 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.071 -1.616 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.527 -0.411 -8.215 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.073 -0.271 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.823 -0.732 -8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.912 -2.073 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.359 -0.943 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.404 1.588 -7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.963 1.468 -8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.918 1.943 -7.051 1.00 0.00 H new ATOM 426 N ALA A 88 -10.020 -0.772 -5.816 1.00 0.00 N ATOM 427 CA ALA A 88 -11.454 -0.941 -6.021 1.00 0.00 C ATOM 428 C ALA A 88 -12.222 0.297 -5.569 1.00 0.00 C ATOM 429 O ALA A 88 -13.390 0.475 -5.914 1.00 0.00 O ATOM 430 CB ALA A 88 -11.952 -2.173 -5.280 1.00 0.00 C ATOM 0 H ALA A 88 -9.619 -1.393 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.630 -1.077 -7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.024 -2.287 -5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.433 -3.056 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.756 -2.060 -4.214 1.00 0.00 H new ATOM 436 N PHE A 89 -11.558 1.150 -4.795 1.00 0.00 N ATOM 437 CA PHE A 89 -12.179 2.370 -4.295 1.00 0.00 C ATOM 438 C PHE A 89 -11.456 3.605 -4.824 1.00 0.00 C ATOM 439 O PHE A 89 -12.068 4.648 -5.048 1.00 0.00 O ATOM 440 CB PHE A 89 -12.175 2.379 -2.764 1.00 0.00 C ATOM 441 CG PHE A 89 -12.813 1.163 -2.156 1.00 0.00 C ATOM 442 CD1 PHE A 89 -12.106 -0.023 -2.043 1.00 0.00 C ATOM 443 CD2 PHE A 89 -14.121 1.206 -1.698 1.00 0.00 C ATOM 444 CE1 PHE A 89 -12.691 -1.144 -1.483 1.00 0.00 C ATOM 445 CE2 PHE A 89 -14.710 0.089 -1.138 1.00 0.00 C ATOM 446 CZ PHE A 89 -13.994 -1.088 -1.031 1.00 0.00 C ATOM 0 H PHE A 89 -10.590 1.018 -4.501 1.00 0.00 H new ATOM 0 HA PHE A 89 -13.210 2.395 -4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.146 2.454 -2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.698 3.268 -2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -11.087 -0.073 -2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -14.686 2.123 -1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.129 -2.062 -1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -15.729 0.136 -0.784 1.00 0.00 H new ATOM 0 HZ PHE A 89 -14.453 -1.963 -0.594 1.00 0.00 H new ATOM 456 N GLY A 90 -10.147 3.478 -5.020 1.00 0.00 N ATOM 457 CA GLY A 90 -9.361 4.591 -5.520 1.00 0.00 C ATOM 458 C GLY A 90 -7.909 4.218 -5.748 1.00 0.00 C ATOM 459 O GLY A 90 -7.415 3.216 -5.232 1.00 0.00 O ATOM 0 H GLY A 90 -9.617 2.625 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.793 4.946 -6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.414 5.417 -4.811 1.00 0.00 H new ATOM 463 N PRO A 91 -7.201 5.038 -6.539 1.00 0.00 N ATOM 464 CA PRO A 91 -5.788 4.810 -6.853 1.00 0.00 C ATOM 465 C PRO A 91 -4.870 5.158 -5.686 1.00 0.00 C ATOM 466 O PRO A 91 -5.020 6.206 -5.057 1.00 0.00 O ATOM 467 CB PRO A 91 -5.531 5.748 -8.035 1.00 0.00 C ATOM 468 CG PRO A 91 -6.513 6.855 -7.860 1.00 0.00 C ATOM 469 CD PRO A 91 -7.726 6.252 -7.187 1.00 0.00 C ATOM 0 HA PRO A 91 -5.583 3.762 -7.071 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.507 6.122 -8.028 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.677 5.236 -8.986 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.091 7.656 -7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.780 7.292 -8.822 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.162 6.937 -6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.507 6.014 -7.909 1.00 0.00 H new ATOM 477 N VAL A 92 -3.919 4.274 -5.402 1.00 0.00 N ATOM 478 CA VAL A 92 -2.976 4.490 -4.311 1.00 0.00 C ATOM 479 C VAL A 92 -1.665 5.072 -4.826 1.00 0.00 C ATOM 480 O VAL A 92 -0.993 4.470 -5.663 1.00 0.00 O ATOM 481 CB VAL A 92 -2.683 3.180 -3.556 1.00 0.00 C ATOM 482 CG1 VAL A 92 -1.688 3.423 -2.431 1.00 0.00 C ATOM 483 CG2 VAL A 92 -3.971 2.575 -3.018 1.00 0.00 C ATOM 0 H VAL A 92 -3.781 3.402 -5.912 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.440 5.199 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.239 2.470 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.493 2.486 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.756 3.808 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.101 4.150 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.745 1.650 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.446 3.279 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.647 2.362 -3.846 1.00 0.00 H new ATOM 493 N ALA A 93 -1.306 6.246 -4.319 1.00 0.00 N ATOM 494 CA ALA A 93 -0.073 6.909 -4.725 1.00 0.00 C ATOM 495 C ALA A 93 1.150 6.128 -4.257 1.00 0.00 C ATOM 496 O ALA A 93 2.087 5.904 -5.024 1.00 0.00 O ATOM 497 CB ALA A 93 -0.034 8.330 -4.182 1.00 0.00 C ATOM 0 H ALA A 93 -1.852 6.758 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.052 6.947 -5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.892 8.813 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.884 8.891 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.082 8.305 -3.093 1.00 0.00 H new ATOM 503 N SER A 94 1.136 5.716 -2.993 1.00 0.00 N ATOM 504 CA SER A 94 2.246 4.964 -2.421 1.00 0.00 C ATOM 505 C SER A 94 1.844 4.324 -1.096 1.00 0.00 C ATOM 506 O SER A 94 0.939 4.802 -0.412 1.00 0.00 O ATOM 507 CB SER A 94 3.456 5.877 -2.213 1.00 0.00 C ATOM 508 OG SER A 94 3.928 6.388 -3.448 1.00 0.00 O ATOM 0 H SER A 94 0.367 5.891 -2.346 1.00 0.00 H new ATOM 0 HA SER A 94 2.514 4.172 -3.121 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.184 6.702 -1.555 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.253 5.323 -1.717 1.00 0.00 H new ATOM 0 HG SER A 94 3.563 5.854 -4.184 1.00 0.00 H new ATOM 514 N VAL A 95 2.523 3.238 -0.740 1.00 0.00 N ATOM 515 CA VAL A 95 2.239 2.532 0.504 1.00 0.00 C ATOM 516 C VAL A 95 3.490 2.411 1.366 1.00 0.00 C ATOM 517 O VAL A 95 4.480 1.802 0.960 1.00 0.00 O ATOM 518 CB VAL A 95 1.677 1.124 0.234 1.00 0.00 C ATOM 519 CG1 VAL A 95 1.410 0.395 1.542 1.00 0.00 C ATOM 520 CG2 VAL A 95 0.411 1.208 -0.607 1.00 0.00 C ATOM 0 H VAL A 95 3.274 2.828 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 95 1.490 3.118 1.037 1.00 0.00 H new ATOM 0 HB VAL A 95 2.421 0.556 -0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.013 -0.598 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.340 0.302 2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.685 0.957 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.027 0.204 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.340 1.793 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.638 1.687 -1.559 1.00 0.00 H new ATOM 530 N VAL A 96 3.440 2.995 2.559 1.00 0.00 N ATOM 531 CA VAL A 96 4.569 2.952 3.480 1.00 0.00 C ATOM 532 C VAL A 96 4.361 1.890 4.555 1.00 0.00 C ATOM 533 O VAL A 96 3.545 2.061 5.460 1.00 0.00 O ATOM 534 CB VAL A 96 4.793 4.316 4.158 1.00 0.00 C ATOM 535 CG1 VAL A 96 5.986 4.255 5.100 1.00 0.00 C ATOM 536 CG2 VAL A 96 4.983 5.405 3.113 1.00 0.00 C ATOM 0 H VAL A 96 2.629 3.504 2.910 1.00 0.00 H new ATOM 0 HA VAL A 96 5.450 2.700 2.889 1.00 0.00 H new ATOM 0 HB VAL A 96 3.908 4.559 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.129 5.228 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.805 3.504 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.881 3.989 4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.140 6.362 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.850 5.170 2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.095 5.464 2.484 1.00 0.00 H new ATOM 546 N MET A 97 5.105 0.794 4.448 1.00 0.00 N ATOM 547 CA MET A 97 5.003 -0.295 5.413 1.00 0.00 C ATOM 548 C MET A 97 6.210 -0.310 6.344 1.00 0.00 C ATOM 549 O MET A 97 7.354 -0.376 5.893 1.00 0.00 O ATOM 550 CB MET A 97 4.886 -1.637 4.688 1.00 0.00 C ATOM 551 CG MET A 97 3.556 -1.830 3.978 1.00 0.00 C ATOM 552 SD MET A 97 3.247 -3.551 3.538 1.00 0.00 S ATOM 553 CE MET A 97 2.235 -4.077 4.919 1.00 0.00 C ATOM 0 H MET A 97 5.784 0.636 3.704 1.00 0.00 H new ATOM 0 HA MET A 97 4.107 -0.135 6.012 1.00 0.00 H new ATOM 0 HB2 MET A 97 5.693 -1.719 3.959 1.00 0.00 H new ATOM 0 HB3 MET A 97 5.024 -2.443 5.408 1.00 0.00 H new ATOM 0 HG2 MET A 97 2.751 -1.473 4.620 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.539 -1.219 3.075 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.802 -5.053 4.702 1.00 0.00 H new ATOM 0 HE2 MET A 97 2.850 -4.145 5.816 1.00 0.00 H new ATOM 0 HE3 MET A 97 1.436 -3.354 5.081 1.00 0.00 H new ATOM 563 N ASP A 98 5.949 -0.250 7.645 1.00 0.00 N ATOM 564 CA ASP A 98 7.015 -0.258 8.641 1.00 0.00 C ATOM 565 C ASP A 98 8.009 -1.381 8.363 1.00 0.00 C ATOM 566 O ASP A 98 7.623 -2.536 8.179 1.00 0.00 O ATOM 567 CB ASP A 98 6.429 -0.415 10.045 1.00 0.00 C ATOM 568 CG ASP A 98 7.450 -0.141 11.132 1.00 0.00 C ATOM 569 OD1 ASP A 98 8.608 -0.583 10.983 1.00 0.00 O ATOM 570 OD2 ASP A 98 7.090 0.516 12.131 1.00 0.00 O ATOM 0 H ASP A 98 5.008 -0.195 8.035 1.00 0.00 H new ATOM 0 HA ASP A 98 7.543 0.694 8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.586 0.266 10.162 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.040 -1.426 10.162 1.00 0.00 H new ATOM 575 N LYS A 99 9.291 -1.034 8.332 1.00 0.00 N ATOM 576 CA LYS A 99 10.343 -2.012 8.077 1.00 0.00 C ATOM 577 C LYS A 99 11.022 -2.432 9.377 1.00 0.00 C ATOM 578 O LYS A 99 11.422 -3.586 9.534 1.00 0.00 O ATOM 579 CB LYS A 99 11.380 -1.435 7.111 1.00 0.00 C ATOM 580 CG LYS A 99 12.052 -0.173 7.622 1.00 0.00 C ATOM 581 CD LYS A 99 12.815 0.539 6.517 1.00 0.00 C ATOM 582 CE LYS A 99 13.645 1.690 7.066 1.00 0.00 C ATOM 583 NZ LYS A 99 12.792 2.752 7.667 1.00 0.00 N ATOM 0 H LYS A 99 9.627 -0.082 8.480 1.00 0.00 H new ATOM 0 HA LYS A 99 9.885 -2.892 7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.143 -2.189 6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.896 -1.219 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 99 11.300 0.498 8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 99 12.735 -0.426 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.467 -0.171 6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.113 0.917 5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.338 1.312 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 99 14.247 2.118 6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.390 3.548 7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.103 3.084 6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.287 2.367 8.491 1.00 0.00 H new ATOM 597 N ASP A 100 11.148 -1.490 10.305 1.00 0.00 N ATOM 598 CA ASP A 100 11.776 -1.764 11.592 1.00 0.00 C ATOM 599 C ASP A 100 11.063 -2.903 12.313 1.00 0.00 C ATOM 600 O ASP A 100 11.701 -3.819 12.833 1.00 0.00 O ATOM 601 CB ASP A 100 11.770 -0.508 12.464 1.00 0.00 C ATOM 602 CG ASP A 100 12.621 0.604 11.884 1.00 0.00 C ATOM 603 OD1 ASP A 100 13.861 0.454 11.864 1.00 0.00 O ATOM 604 OD2 ASP A 100 12.048 1.625 11.450 1.00 0.00 O ATOM 0 H ASP A 100 10.824 -0.530 10.190 1.00 0.00 H new ATOM 0 HA ASP A 100 12.808 -2.064 11.409 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.745 -0.155 12.580 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.135 -0.759 13.460 1.00 0.00 H new ATOM 609 N LYS A 101 9.736 -2.840 12.342 1.00 0.00 N ATOM 610 CA LYS A 101 8.935 -3.865 13.000 1.00 0.00 C ATOM 611 C LYS A 101 8.008 -4.554 12.003 1.00 0.00 C ATOM 612 O LYS A 101 8.059 -5.771 11.832 1.00 0.00 O ATOM 613 CB LYS A 101 8.113 -3.250 14.135 1.00 0.00 C ATOM 614 CG LYS A 101 8.960 -2.621 15.227 1.00 0.00 C ATOM 615 CD LYS A 101 9.352 -3.640 16.285 1.00 0.00 C ATOM 616 CE LYS A 101 8.268 -3.790 17.342 1.00 0.00 C ATOM 617 NZ LYS A 101 8.444 -2.819 18.458 1.00 0.00 N ATOM 0 H LYS A 101 9.192 -2.089 11.917 1.00 0.00 H new ATOM 0 HA LYS A 101 9.614 -4.610 13.414 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.447 -2.492 13.721 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.482 -4.022 14.575 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.858 -2.187 14.788 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.407 -1.805 15.693 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.537 -4.605 15.812 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.284 -3.334 16.759 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.290 -3.643 16.883 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.285 -4.805 17.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.686 -2.953 19.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.366 -2.976 18.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.403 -1.849 18.084 1.00 0.00 H new ATOM 631 N GLY A 102 7.163 -3.766 11.345 1.00 0.00 N ATOM 632 CA GLY A 102 6.239 -4.318 10.372 1.00 0.00 C ATOM 633 C GLY A 102 4.885 -4.638 10.975 1.00 0.00 C ATOM 634 O GLY A 102 4.451 -5.790 10.969 1.00 0.00 O ATOM 0 H GLY A 102 7.102 -2.755 11.469 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.111 -3.609 9.554 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.666 -5.225 9.944 1.00 0.00 H new ATOM 638 N VAL A 103 4.216 -3.615 11.499 1.00 0.00 N ATOM 639 CA VAL A 103 2.904 -3.793 12.110 1.00 0.00 C ATOM 640 C VAL A 103 1.869 -2.878 11.464 1.00 0.00 C ATOM 641 O VAL A 103 0.742 -3.292 11.194 1.00 0.00 O ATOM 642 CB VAL A 103 2.947 -3.513 13.624 1.00 0.00 C ATOM 643 CG1 VAL A 103 3.767 -4.576 14.340 1.00 0.00 C ATOM 644 CG2 VAL A 103 3.507 -2.125 13.893 1.00 0.00 C ATOM 0 H VAL A 103 4.561 -2.655 11.512 1.00 0.00 H new ATOM 0 HA VAL A 103 2.618 -4.832 11.949 1.00 0.00 H new ATOM 0 HB VAL A 103 1.929 -3.550 14.012 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.786 -4.362 15.409 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.318 -5.555 14.174 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.785 -4.573 13.951 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.530 -1.944 14.968 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.518 -2.057 13.492 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.875 -1.378 13.413 1.00 0.00 H new ATOM 654 N PHE A 104 2.260 -1.632 11.219 1.00 0.00 N ATOM 655 CA PHE A 104 1.367 -0.657 10.605 1.00 0.00 C ATOM 656 C PHE A 104 1.894 -0.218 9.243 1.00 0.00 C ATOM 657 O PHE A 104 3.058 -0.444 8.914 1.00 0.00 O ATOM 658 CB PHE A 104 1.202 0.561 11.517 1.00 0.00 C ATOM 659 CG PHE A 104 2.355 1.520 11.451 1.00 0.00 C ATOM 660 CD1 PHE A 104 2.420 2.477 10.451 1.00 0.00 C ATOM 661 CD2 PHE A 104 3.375 1.464 12.387 1.00 0.00 C ATOM 662 CE1 PHE A 104 3.480 3.362 10.387 1.00 0.00 C ATOM 663 CE2 PHE A 104 4.437 2.347 12.328 1.00 0.00 C ATOM 664 CZ PHE A 104 4.491 3.296 11.326 1.00 0.00 C ATOM 0 H PHE A 104 3.190 -1.274 11.436 1.00 0.00 H new ATOM 0 HA PHE A 104 0.396 -1.131 10.463 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.287 1.087 11.245 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.081 0.221 12.546 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.633 2.532 9.713 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.340 0.722 13.171 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.518 4.104 9.604 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.224 2.295 13.065 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.321 3.985 11.277 1.00 0.00 H new ATOM 674 N ALA A 105 1.028 0.410 8.454 1.00 0.00 N ATOM 675 CA ALA A 105 1.406 0.882 7.128 1.00 0.00 C ATOM 676 C ALA A 105 0.526 2.048 6.689 1.00 0.00 C ATOM 677 O ALA A 105 -0.701 1.975 6.765 1.00 0.00 O ATOM 678 CB ALA A 105 1.322 -0.254 6.119 1.00 0.00 C ATOM 0 H ALA A 105 0.060 0.603 8.710 1.00 0.00 H new ATOM 0 HA ALA A 105 2.436 1.236 7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.607 0.113 5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.998 -1.056 6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.301 -0.634 6.083 1.00 0.00 H new ATOM 684 N ILE A 106 1.160 3.121 6.229 1.00 0.00 N ATOM 685 CA ILE A 106 0.434 4.302 5.778 1.00 0.00 C ATOM 686 C ILE A 106 0.021 4.167 4.317 1.00 0.00 C ATOM 687 O ILE A 106 0.864 4.149 3.420 1.00 0.00 O ATOM 688 CB ILE A 106 1.277 5.580 5.946 1.00 0.00 C ATOM 689 CG1 ILE A 106 1.855 5.654 7.361 1.00 0.00 C ATOM 690 CG2 ILE A 106 0.437 6.812 5.646 1.00 0.00 C ATOM 691 CD1 ILE A 106 0.827 5.998 8.416 1.00 0.00 C ATOM 0 H ILE A 106 2.175 3.197 6.159 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.458 4.381 6.400 1.00 0.00 H new ATOM 0 HB ILE A 106 2.104 5.547 5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.312 4.696 7.609 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.649 6.400 7.382 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.047 7.707 5.769 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.070 6.761 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.409 6.852 6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.307 6.033 9.394 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.387 6.970 8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.045 5.239 8.423 1.00 0.00 H new ATOM 703 N VAL A 107 -1.285 4.075 4.082 1.00 0.00 N ATOM 704 CA VAL A 107 -1.812 3.945 2.729 1.00 0.00 C ATOM 705 C VAL A 107 -2.260 5.296 2.182 1.00 0.00 C ATOM 706 O VAL A 107 -3.196 5.905 2.697 1.00 0.00 O ATOM 707 CB VAL A 107 -2.998 2.965 2.681 1.00 0.00 C ATOM 708 CG1 VAL A 107 -3.757 3.109 1.370 1.00 0.00 C ATOM 709 CG2 VAL A 107 -2.516 1.535 2.873 1.00 0.00 C ATOM 0 H VAL A 107 -1.997 4.088 4.812 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.004 3.556 2.110 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.680 3.207 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.592 2.408 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.136 4.127 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.088 2.895 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.368 0.856 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.813 1.279 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.021 1.445 3.840 1.00 0.00 H new ATOM 719 N GLU A 108 -1.584 5.758 1.135 1.00 0.00 N ATOM 720 CA GLU A 108 -1.913 7.037 0.518 1.00 0.00 C ATOM 721 C GLU A 108 -2.878 6.847 -0.649 1.00 0.00 C ATOM 722 O GLU A 108 -2.880 5.804 -1.303 1.00 0.00 O ATOM 723 CB GLU A 108 -0.642 7.737 0.033 1.00 0.00 C ATOM 724 CG GLU A 108 -0.910 8.991 -0.782 1.00 0.00 C ATOM 725 CD GLU A 108 0.314 9.878 -0.909 1.00 0.00 C ATOM 726 OE1 GLU A 108 1.335 9.404 -1.449 1.00 0.00 O ATOM 727 OE2 GLU A 108 0.250 11.044 -0.468 1.00 0.00 O ATOM 0 H GLU A 108 -0.806 5.266 0.697 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.398 7.659 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.030 7.999 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.061 7.039 -0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.253 8.707 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.717 9.557 -0.316 1.00 0.00 H new ATOM 734 N MET A 109 -3.697 7.862 -0.904 1.00 0.00 N ATOM 735 CA MET A 109 -4.667 7.807 -1.992 1.00 0.00 C ATOM 736 C MET A 109 -4.352 8.855 -3.054 1.00 0.00 C ATOM 737 O MET A 109 -3.626 9.814 -2.797 1.00 0.00 O ATOM 738 CB MET A 109 -6.083 8.019 -1.453 1.00 0.00 C ATOM 739 CG MET A 109 -6.545 6.920 -0.509 1.00 0.00 C ATOM 740 SD MET A 109 -6.282 5.269 -1.185 1.00 0.00 S ATOM 741 CE MET A 109 -7.845 4.990 -2.014 1.00 0.00 C ATOM 0 H MET A 109 -3.708 8.732 -0.372 1.00 0.00 H new ATOM 0 HA MET A 109 -4.605 6.820 -2.451 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.125 8.976 -0.932 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.777 8.082 -2.292 1.00 0.00 H new ATOM 0 HG2 MET A 109 -6.011 7.011 0.437 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.604 7.055 -0.291 1.00 0.00 H new ATOM 0 HE1 MET A 109 -8.203 3.986 -1.787 1.00 0.00 H new ATOM 0 HE2 MET A 109 -8.575 5.722 -1.669 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.709 5.092 -3.091 1.00 0.00 H new ATOM 751 N GLY A 110 -4.904 8.665 -4.249 1.00 0.00 N ATOM 752 CA GLY A 110 -4.669 9.602 -5.332 1.00 0.00 C ATOM 753 C GLY A 110 -5.200 10.988 -5.024 1.00 0.00 C ATOM 754 O GLY A 110 -4.443 11.879 -4.638 1.00 0.00 O ATOM 0 H GLY A 110 -5.509 7.879 -4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.599 9.662 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -5.142 9.229 -6.241 1.00 0.00 H new ATOM 758 N ASP A 111 -6.505 11.172 -5.197 1.00 0.00 N ATOM 759 CA ASP A 111 -7.137 12.460 -4.936 1.00 0.00 C ATOM 760 C ASP A 111 -8.051 12.379 -3.717 1.00 0.00 C ATOM 761 O ASP A 111 -8.252 11.306 -3.149 1.00 0.00 O ATOM 762 CB ASP A 111 -7.935 12.918 -6.158 1.00 0.00 C ATOM 763 CG ASP A 111 -8.305 14.386 -6.091 1.00 0.00 C ATOM 764 OD1 ASP A 111 -7.393 15.220 -5.915 1.00 0.00 O ATOM 765 OD2 ASP A 111 -9.507 14.701 -6.213 1.00 0.00 O ATOM 0 H ASP A 111 -7.145 10.445 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.352 13.188 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.350 12.734 -7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.843 12.321 -6.240 1.00 0.00 H new ATOM 770 N VAL A 112 -8.601 13.522 -3.320 1.00 0.00 N ATOM 771 CA VAL A 112 -9.493 13.582 -2.169 1.00 0.00 C ATOM 772 C VAL A 112 -10.625 12.568 -2.298 1.00 0.00 C ATOM 773 O VAL A 112 -11.003 11.917 -1.325 1.00 0.00 O ATOM 774 CB VAL A 112 -10.096 14.989 -1.998 1.00 0.00 C ATOM 775 CG1 VAL A 112 -10.823 15.416 -3.264 1.00 0.00 C ATOM 776 CG2 VAL A 112 -11.032 15.025 -0.799 1.00 0.00 C ATOM 0 H VAL A 112 -8.444 14.419 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.893 13.343 -1.291 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.284 15.694 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -11.242 16.412 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -10.122 15.431 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.626 14.711 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.449 16.026 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.840 14.309 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.478 14.765 0.103 1.00 0.00 H new ATOM 786 N GLY A 113 -11.162 12.439 -3.507 1.00 0.00 N ATOM 787 CA GLY A 113 -12.245 11.502 -3.742 1.00 0.00 C ATOM 788 C GLY A 113 -11.893 10.091 -3.316 1.00 0.00 C ATOM 789 O GLY A 113 -12.697 9.408 -2.683 1.00 0.00 O ATOM 0 H GLY A 113 -10.866 12.967 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.131 11.832 -3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.501 11.505 -4.802 1.00 0.00 H new ATOM 793 N ALA A 114 -10.689 9.652 -3.667 1.00 0.00 N ATOM 794 CA ALA A 114 -10.232 8.313 -3.316 1.00 0.00 C ATOM 795 C ALA A 114 -10.362 8.063 -1.818 1.00 0.00 C ATOM 796 O ALA A 114 -11.084 7.162 -1.389 1.00 0.00 O ATOM 797 CB ALA A 114 -8.792 8.112 -3.764 1.00 0.00 C ATOM 0 H ALA A 114 -10.012 10.204 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 114 -10.866 7.593 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.464 7.108 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -8.726 8.238 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.153 8.846 -3.273 1.00 0.00 H new ATOM 803 N ARG A 115 -9.658 8.865 -1.026 1.00 0.00 N ATOM 804 CA ARG A 115 -9.693 8.729 0.425 1.00 0.00 C ATOM 805 C ARG A 115 -11.131 8.673 0.931 1.00 0.00 C ATOM 806 O ARG A 115 -11.478 7.823 1.752 1.00 0.00 O ATOM 807 CB ARG A 115 -8.954 9.894 1.086 1.00 0.00 C ATOM 808 CG ARG A 115 -8.976 9.846 2.605 1.00 0.00 C ATOM 809 CD ARG A 115 -8.826 11.234 3.208 1.00 0.00 C ATOM 810 NE ARG A 115 -8.704 11.188 4.663 1.00 0.00 N ATOM 811 CZ ARG A 115 -8.442 12.253 5.412 1.00 0.00 C ATOM 812 NH1 ARG A 115 -8.277 13.441 4.847 1.00 0.00 N ATOM 813 NH2 ARG A 115 -8.347 12.132 6.730 1.00 0.00 N ATOM 0 H ARG A 115 -9.056 9.616 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.196 7.796 0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.918 9.896 0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.400 10.831 0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.912 9.401 2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.170 9.204 2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.946 11.720 2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -9.688 11.843 2.935 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.827 10.289 5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.351 13.539 3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.076 14.257 5.425 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -8.475 11.220 7.169 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -8.146 12.951 7.304 1.00 0.00 H new ATOM 827 N GLU A 116 -11.964 9.583 0.436 1.00 0.00 N ATOM 828 CA GLU A 116 -13.364 9.637 0.840 1.00 0.00 C ATOM 829 C GLU A 116 -14.037 8.281 0.653 1.00 0.00 C ATOM 830 O GLU A 116 -14.646 7.746 1.579 1.00 0.00 O ATOM 831 CB GLU A 116 -14.109 10.703 0.034 1.00 0.00 C ATOM 832 CG GLU A 116 -13.915 12.114 0.565 1.00 0.00 C ATOM 833 CD GLU A 116 -14.638 13.155 -0.268 1.00 0.00 C ATOM 834 OE1 GLU A 116 -14.746 12.962 -1.497 1.00 0.00 O ATOM 835 OE2 GLU A 116 -15.095 14.163 0.310 1.00 0.00 O ATOM 0 H GLU A 116 -11.694 10.293 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.401 9.899 1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -13.772 10.664 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.173 10.468 0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -14.273 12.164 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.850 12.347 0.587 1.00 0.00 H new ATOM 842 N ALA A 117 -13.921 7.730 -0.551 1.00 0.00 N ATOM 843 CA ALA A 117 -14.516 6.436 -0.859 1.00 0.00 C ATOM 844 C ALA A 117 -14.222 5.420 0.240 1.00 0.00 C ATOM 845 O ALA A 117 -15.130 4.773 0.761 1.00 0.00 O ATOM 846 CB ALA A 117 -14.008 5.927 -2.200 1.00 0.00 C ATOM 0 H ALA A 117 -13.420 8.160 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.597 6.566 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -14.461 4.960 -2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -14.275 6.637 -2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -12.924 5.820 -2.162 1.00 0.00 H new ATOM 852 N VAL A 118 -12.946 5.285 0.588 1.00 0.00 N ATOM 853 CA VAL A 118 -12.532 4.348 1.625 1.00 0.00 C ATOM 854 C VAL A 118 -13.089 4.753 2.985 1.00 0.00 C ATOM 855 O VAL A 118 -13.495 3.904 3.780 1.00 0.00 O ATOM 856 CB VAL A 118 -10.997 4.256 1.718 1.00 0.00 C ATOM 857 CG1 VAL A 118 -10.585 3.291 2.819 1.00 0.00 C ATOM 858 CG2 VAL A 118 -10.407 3.836 0.381 1.00 0.00 C ATOM 0 H VAL A 118 -12.182 5.813 0.167 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.931 3.372 1.348 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.606 5.242 1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.497 3.239 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.976 3.641 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -10.986 2.300 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -9.322 3.776 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.804 2.861 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.672 4.570 -0.380 1.00 0.00 H new ATOM 868 N LEU A 119 -13.106 6.055 3.248 1.00 0.00 N ATOM 869 CA LEU A 119 -13.615 6.574 4.513 1.00 0.00 C ATOM 870 C LEU A 119 -15.121 6.360 4.623 1.00 0.00 C ATOM 871 O LEU A 119 -15.692 6.447 5.710 1.00 0.00 O ATOM 872 CB LEU A 119 -13.289 8.063 4.643 1.00 0.00 C ATOM 873 CG LEU A 119 -11.857 8.403 5.060 1.00 0.00 C ATOM 874 CD1 LEU A 119 -11.684 9.908 5.195 1.00 0.00 C ATOM 875 CD2 LEU A 119 -11.501 7.704 6.364 1.00 0.00 C ATOM 0 H LEU A 119 -12.773 6.771 2.602 1.00 0.00 H new ATOM 0 HA LEU A 119 -13.130 6.029 5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.491 8.544 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.972 8.502 5.371 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.179 8.048 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.659 10.131 5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.897 10.386 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -12.372 10.287 5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.479 7.957 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -12.184 8.028 7.149 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.584 6.625 6.233 1.00 0.00 H new ATOM 887 N SER A 120 -15.758 6.076 3.491 1.00 0.00 N ATOM 888 CA SER A 120 -17.198 5.850 3.461 1.00 0.00 C ATOM 889 C SER A 120 -17.514 4.358 3.457 1.00 0.00 C ATOM 890 O SER A 120 -18.528 3.929 2.908 1.00 0.00 O ATOM 891 CB SER A 120 -17.814 6.517 2.229 1.00 0.00 C ATOM 892 OG SER A 120 -19.213 6.681 2.383 1.00 0.00 O ATOM 0 H SER A 120 -15.300 5.997 2.583 1.00 0.00 H new ATOM 0 HA SER A 120 -17.629 6.292 4.359 1.00 0.00 H new ATOM 0 HB2 SER A 120 -17.347 7.488 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 120 -17.611 5.913 1.345 1.00 0.00 H new ATOM 0 HG SER A 120 -19.618 5.823 2.629 1.00 0.00 H new ATOM 898 N GLN A 121 -16.637 3.572 4.075 1.00 0.00 N ATOM 899 CA GLN A 121 -16.822 2.128 4.142 1.00 0.00 C ATOM 900 C GLN A 121 -17.079 1.678 5.577 1.00 0.00 C ATOM 901 O GLN A 121 -16.171 1.669 6.407 1.00 0.00 O ATOM 902 CB GLN A 121 -15.593 1.409 3.582 1.00 0.00 C ATOM 903 CG GLN A 121 -15.908 0.054 2.969 1.00 0.00 C ATOM 904 CD GLN A 121 -17.160 0.077 2.114 1.00 0.00 C ATOM 905 OE1 GLN A 121 -17.470 1.083 1.475 1.00 0.00 O ATOM 906 NE2 GLN A 121 -17.886 -1.035 2.096 1.00 0.00 N ATOM 0 H GLN A 121 -15.793 3.911 4.536 1.00 0.00 H new ATOM 0 HA GLN A 121 -17.692 1.870 3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -15.126 2.041 2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -14.864 1.276 4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -15.063 -0.271 2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -16.029 -0.681 3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -17.591 -1.845 2.641 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -18.738 -1.079 1.537 1.00 0.00 H new ATOM 915 N SER A 122 -18.323 1.307 5.861 1.00 0.00 N ATOM 916 CA SER A 122 -18.701 0.860 7.197 1.00 0.00 C ATOM 917 C SER A 122 -17.620 -0.033 7.797 1.00 0.00 C ATOM 918 O SER A 122 -16.888 0.381 8.696 1.00 0.00 O ATOM 919 CB SER A 122 -20.032 0.106 7.148 1.00 0.00 C ATOM 920 OG SER A 122 -20.014 -0.895 6.146 1.00 0.00 O ATOM 0 H SER A 122 -19.086 1.307 5.184 1.00 0.00 H new ATOM 0 HA SER A 122 -18.813 1.740 7.830 1.00 0.00 H new ATOM 0 HB2 SER A 122 -20.231 -0.349 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 122 -20.844 0.807 6.952 1.00 0.00 H new ATOM 0 HG SER A 122 -20.875 -1.363 6.136 1.00 0.00 H new ATOM 926 N GLN A 123 -17.526 -1.259 7.293 1.00 0.00 N ATOM 927 CA GLN A 123 -16.535 -2.211 7.780 1.00 0.00 C ATOM 928 C GLN A 123 -15.608 -2.656 6.654 1.00 0.00 C ATOM 929 O GLN A 123 -16.039 -2.829 5.513 1.00 0.00 O ATOM 930 CB GLN A 123 -17.226 -3.428 8.398 1.00 0.00 C ATOM 931 CG GLN A 123 -17.878 -3.141 9.741 1.00 0.00 C ATOM 932 CD GLN A 123 -19.093 -4.010 9.998 1.00 0.00 C ATOM 933 OE1 GLN A 123 -19.033 -5.234 9.872 1.00 0.00 O ATOM 934 NE2 GLN A 123 -20.205 -3.381 10.361 1.00 0.00 N ATOM 0 H GLN A 123 -18.124 -1.616 6.548 1.00 0.00 H new ATOM 0 HA GLN A 123 -15.937 -1.715 8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -17.984 -3.795 7.706 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -16.495 -4.227 8.522 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -17.149 -3.299 10.536 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -18.171 -2.092 9.781 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -20.209 -2.365 10.453 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -21.055 -3.914 10.548 1.00 0.00 H new ATOM 943 N HIS A 124 -14.333 -2.839 6.981 1.00 0.00 N ATOM 944 CA HIS A 124 -13.344 -3.264 5.996 1.00 0.00 C ATOM 945 C HIS A 124 -12.950 -4.721 6.216 1.00 0.00 C ATOM 946 O HIS A 124 -12.871 -5.188 7.352 1.00 0.00 O ATOM 947 CB HIS A 124 -12.105 -2.371 6.069 1.00 0.00 C ATOM 948 CG HIS A 124 -12.317 -1.004 5.497 1.00 0.00 C ATOM 949 ND1 HIS A 124 -12.392 -0.758 4.142 1.00 0.00 N ATOM 950 CD2 HIS A 124 -12.473 0.196 6.104 1.00 0.00 C ATOM 951 CE1 HIS A 124 -12.583 0.534 3.941 1.00 0.00 C ATOM 952 NE2 HIS A 124 -12.636 1.135 5.116 1.00 0.00 N ATOM 0 H HIS A 124 -13.960 -2.700 7.920 1.00 0.00 H new ATOM 0 HA HIS A 124 -13.790 -3.173 5.006 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -11.797 -2.276 7.110 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -11.286 -2.855 5.537 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -12.470 0.380 7.168 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -12.679 1.016 2.980 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -12.775 2.134 5.265 1.00 0.00 H new ATOM 960 N SER A 125 -12.704 -5.435 5.122 1.00 0.00 N ATOM 961 CA SER A 125 -12.323 -6.840 5.195 1.00 0.00 C ATOM 962 C SER A 125 -11.555 -7.260 3.945 1.00 0.00 C ATOM 963 O SER A 125 -11.914 -6.889 2.827 1.00 0.00 O ATOM 964 CB SER A 125 -13.564 -7.719 5.364 1.00 0.00 C ATOM 965 OG SER A 125 -14.499 -7.487 4.326 1.00 0.00 O ATOM 0 H SER A 125 -12.762 -5.063 4.174 1.00 0.00 H new ATOM 0 HA SER A 125 -11.674 -6.970 6.061 1.00 0.00 H new ATOM 0 HB2 SER A 125 -13.272 -8.769 5.366 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.029 -7.515 6.329 1.00 0.00 H new ATOM 0 HG SER A 125 -15.282 -8.062 4.456 1.00 0.00 H new ATOM 971 N LEU A 126 -10.496 -8.037 4.143 1.00 0.00 N ATOM 972 CA LEU A 126 -9.675 -8.510 3.033 1.00 0.00 C ATOM 973 C LEU A 126 -9.809 -10.019 2.861 1.00 0.00 C ATOM 974 O LEU A 126 -9.232 -10.795 3.622 1.00 0.00 O ATOM 975 CB LEU A 126 -8.209 -8.139 3.263 1.00 0.00 C ATOM 976 CG LEU A 126 -7.208 -8.707 2.257 1.00 0.00 C ATOM 977 CD1 LEU A 126 -7.386 -8.050 0.897 1.00 0.00 C ATOM 978 CD2 LEU A 126 -5.783 -8.519 2.759 1.00 0.00 C ATOM 0 H LEU A 126 -10.185 -8.353 5.062 1.00 0.00 H new ATOM 0 HA LEU A 126 -10.027 -8.027 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.124 -7.052 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.922 -8.474 4.260 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.397 -9.775 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.665 -8.467 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.397 -8.235 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.224 -6.976 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.084 -8.929 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.583 -7.456 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.661 -9.037 3.710 1.00 0.00 H new ATOM 990 N GLY A 127 -10.573 -10.430 1.853 1.00 0.00 N ATOM 991 CA GLY A 127 -10.767 -11.845 1.597 1.00 0.00 C ATOM 992 C GLY A 127 -10.833 -12.661 2.873 1.00 0.00 C ATOM 993 O GLY A 127 -10.050 -13.590 3.065 1.00 0.00 O ATOM 0 H GLY A 127 -11.061 -9.808 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -11.688 -11.986 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -9.951 -12.214 0.975 1.00 0.00 H new ATOM 997 N GLY A 128 -11.770 -12.311 3.750 1.00 0.00 N ATOM 998 CA GLY A 128 -11.916 -13.026 5.004 1.00 0.00 C ATOM 999 C GLY A 128 -11.292 -12.286 6.170 1.00 0.00 C ATOM 1000 O GLY A 128 -11.923 -12.111 7.213 1.00 0.00 O ATOM 0 H GLY A 128 -12.430 -11.545 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -12.975 -13.188 5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -11.455 -14.010 4.914 1.00 0.00 H new ATOM 1004 N HIS A 129 -10.048 -11.852 5.996 1.00 0.00 N ATOM 1005 CA HIS A 129 -9.337 -11.127 7.043 1.00 0.00 C ATOM 1006 C HIS A 129 -10.071 -9.840 7.407 1.00 0.00 C ATOM 1007 O HIS A 129 -11.082 -9.495 6.793 1.00 0.00 O ATOM 1008 CB HIS A 129 -7.912 -10.805 6.593 1.00 0.00 C ATOM 1009 CG HIS A 129 -7.227 -11.949 5.911 1.00 0.00 C ATOM 1010 ND1 HIS A 129 -7.035 -13.176 6.510 1.00 0.00 N ATOM 1011 CD2 HIS A 129 -6.688 -12.047 4.673 1.00 0.00 C ATOM 1012 CE1 HIS A 129 -6.406 -13.980 5.670 1.00 0.00 C ATOM 1013 NE2 HIS A 129 -6.184 -13.319 4.548 1.00 0.00 N ATOM 0 H HIS A 129 -9.511 -11.990 5.140 1.00 0.00 H new ATOM 0 HA HIS A 129 -9.295 -11.764 7.927 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -7.938 -9.951 5.916 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -7.324 -10.506 7.461 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -6.660 -11.270 3.923 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -6.122 -15.003 5.867 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -5.715 -13.692 3.723 1.00 0.00 H new ATOM 1021 N ARG A 130 -9.557 -9.134 8.409 1.00 0.00 N ATOM 1022 CA ARG A 130 -10.165 -7.886 8.855 1.00 0.00 C ATOM 1023 C ARG A 130 -9.103 -6.814 9.082 1.00 0.00 C ATOM 1024 O ARG A 130 -8.183 -6.996 9.881 1.00 0.00 O ATOM 1025 CB ARG A 130 -10.959 -8.113 10.143 1.00 0.00 C ATOM 1026 CG ARG A 130 -12.078 -7.106 10.354 1.00 0.00 C ATOM 1027 CD ARG A 130 -13.007 -7.534 11.479 1.00 0.00 C ATOM 1028 NE ARG A 130 -12.489 -7.154 12.791 1.00 0.00 N ATOM 1029 CZ ARG A 130 -13.251 -7.019 13.871 1.00 0.00 C ATOM 1030 NH1 ARG A 130 -14.557 -7.233 13.796 1.00 0.00 N ATOM 1031 NH2 ARG A 130 -12.706 -6.670 15.029 1.00 0.00 N ATOM 0 H ARG A 130 -8.721 -9.405 8.927 1.00 0.00 H new ATOM 0 HA ARG A 130 -10.843 -7.542 8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -11.383 -9.117 10.126 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -10.277 -8.069 10.992 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.652 -6.130 10.584 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -12.648 -6.995 9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.988 -7.081 11.331 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -13.146 -8.615 11.443 1.00 0.00 H new ATOM 0 HE ARG A 130 -11.488 -6.983 12.883 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.980 -7.502 12.907 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -15.139 -7.129 14.627 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -11.701 -6.505 15.091 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -13.292 -6.567 15.858 1.00 0.00 H new ATOM 1045 N LEU A 131 -9.235 -5.699 8.374 1.00 0.00 N ATOM 1046 CA LEU A 131 -8.286 -4.597 8.497 1.00 0.00 C ATOM 1047 C LEU A 131 -8.873 -3.464 9.332 1.00 0.00 C ATOM 1048 O LEU A 131 -10.091 -3.341 9.461 1.00 0.00 O ATOM 1049 CB LEU A 131 -7.896 -4.077 7.112 1.00 0.00 C ATOM 1050 CG LEU A 131 -7.554 -5.140 6.067 1.00 0.00 C ATOM 1051 CD1 LEU A 131 -7.055 -4.489 4.787 1.00 0.00 C ATOM 1052 CD2 LEU A 131 -6.518 -6.111 6.613 1.00 0.00 C ATOM 0 H LEU A 131 -9.990 -5.533 7.708 1.00 0.00 H new ATOM 0 HA LEU A 131 -7.395 -4.971 9.002 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -8.717 -3.471 6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -7.037 -3.416 7.223 1.00 0.00 H new ATOM 0 HG LEU A 131 -8.460 -5.700 5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -6.817 -5.261 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -7.829 -3.835 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.161 -3.904 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -6.287 -6.860 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.610 -5.566 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -6.913 -6.603 7.502 1.00 0.00 H new ATOM 1064 N ARG A 132 -7.999 -2.636 9.895 1.00 0.00 N ATOM 1065 CA ARG A 132 -8.431 -1.512 10.716 1.00 0.00 C ATOM 1066 C ARG A 132 -8.029 -0.185 10.077 1.00 0.00 C ATOM 1067 O ARG A 132 -7.020 0.414 10.448 1.00 0.00 O ATOM 1068 CB ARG A 132 -7.830 -1.617 12.119 1.00 0.00 C ATOM 1069 CG ARG A 132 -8.284 -0.513 13.060 1.00 0.00 C ATOM 1070 CD ARG A 132 -8.199 -0.951 14.514 1.00 0.00 C ATOM 1071 NE ARG A 132 -8.232 0.186 15.430 1.00 0.00 N ATOM 1072 CZ ARG A 132 -8.436 0.070 16.738 1.00 0.00 C ATOM 1073 NH1 ARG A 132 -8.624 -1.126 17.279 1.00 0.00 N ATOM 1074 NH2 ARG A 132 -8.452 1.151 17.507 1.00 0.00 N ATOM 0 H ARG A 132 -6.987 -2.723 9.797 1.00 0.00 H new ATOM 0 HA ARG A 132 -9.518 -1.545 10.790 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -8.098 -2.582 12.549 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -6.743 -1.593 12.042 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -7.666 0.372 12.909 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -9.310 -0.230 12.823 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -9.027 -1.623 14.739 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -7.280 -1.516 14.670 1.00 0.00 H new ATOM 0 HE ARG A 132 -8.091 1.120 15.045 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.612 -1.959 16.691 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -8.780 -1.213 18.283 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -8.308 2.073 17.094 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -8.609 1.061 18.511 1.00 0.00 H new ATOM 1088 N VAL A 133 -8.826 0.267 9.114 1.00 0.00 N ATOM 1089 CA VAL A 133 -8.554 1.522 8.423 1.00 0.00 C ATOM 1090 C VAL A 133 -9.116 2.708 9.198 1.00 0.00 C ATOM 1091 O VAL A 133 -10.231 2.651 9.718 1.00 0.00 O ATOM 1092 CB VAL A 133 -9.149 1.521 7.003 1.00 0.00 C ATOM 1093 CG1 VAL A 133 -8.716 2.765 6.241 1.00 0.00 C ATOM 1094 CG2 VAL A 133 -8.742 0.260 6.255 1.00 0.00 C ATOM 0 H VAL A 133 -9.665 -0.217 8.795 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.470 1.618 8.354 1.00 0.00 H new ATOM 0 HB VAL A 133 -10.236 1.533 7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -9.146 2.747 5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -9.062 3.654 6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -7.629 2.787 6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -9.172 0.276 5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.655 0.214 6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -9.107 -0.615 6.792 1.00 0.00 H new ATOM 1104 N ARG A 134 -8.338 3.783 9.270 1.00 0.00 N ATOM 1105 CA ARG A 134 -8.759 4.984 9.982 1.00 0.00 C ATOM 1106 C ARG A 134 -7.894 6.179 9.591 1.00 0.00 C ATOM 1107 O ARG A 134 -6.708 6.045 9.287 1.00 0.00 O ATOM 1108 CB ARG A 134 -8.684 4.759 11.493 1.00 0.00 C ATOM 1109 CG ARG A 134 -7.264 4.737 12.036 1.00 0.00 C ATOM 1110 CD ARG A 134 -7.218 4.189 13.454 1.00 0.00 C ATOM 1111 NE ARG A 134 -7.400 5.239 14.452 1.00 0.00 N ATOM 1112 CZ ARG A 134 -8.588 5.690 14.836 1.00 0.00 C ATOM 1113 NH1 ARG A 134 -9.695 5.186 14.308 1.00 0.00 N ATOM 1114 NH2 ARG A 134 -8.672 6.648 15.751 1.00 0.00 N ATOM 0 H ARG A 134 -7.413 3.847 8.844 1.00 0.00 H new ATOM 0 HA ARG A 134 -9.791 5.198 9.704 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -9.245 5.546 11.997 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -9.171 3.815 11.736 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.635 4.126 11.388 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -6.852 5.746 12.021 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.995 3.434 13.576 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.262 3.693 13.620 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.568 5.649 14.878 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -9.635 4.450 13.605 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -10.606 5.535 14.605 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -7.823 7.039 16.160 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -9.585 6.994 16.045 1.00 0.00 H new ATOM 1128 N PRO A 135 -8.499 7.376 9.597 1.00 0.00 N ATOM 1129 CA PRO A 135 -7.803 8.617 9.246 1.00 0.00 C ATOM 1130 C PRO A 135 -6.437 8.725 9.915 1.00 0.00 C ATOM 1131 O PRO A 135 -6.331 8.685 11.141 1.00 0.00 O ATOM 1132 CB PRO A 135 -8.741 9.709 9.766 1.00 0.00 C ATOM 1133 CG PRO A 135 -10.098 9.094 9.727 1.00 0.00 C ATOM 1134 CD PRO A 135 -9.910 7.609 9.949 1.00 0.00 C ATOM 0 HA PRO A 135 -7.601 8.683 8.177 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -8.473 10.012 10.778 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -8.693 10.602 9.143 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -10.739 9.522 10.498 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -10.581 9.284 8.769 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -10.116 7.330 10.982 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -10.581 7.023 9.321 1.00 0.00 H new ATOM 1142 N ARG A 136 -5.395 8.862 9.102 1.00 0.00 N ATOM 1143 CA ARG A 136 -4.035 8.976 9.616 1.00 0.00 C ATOM 1144 C ARG A 136 -3.883 10.223 10.481 1.00 0.00 C ATOM 1145 O ARG A 136 -2.997 10.296 11.332 1.00 0.00 O ATOM 1146 CB ARG A 136 -3.033 9.017 8.462 1.00 0.00 C ATOM 1147 CG ARG A 136 -3.028 10.336 7.707 1.00 0.00 C ATOM 1148 CD ARG A 136 -1.682 10.596 7.048 1.00 0.00 C ATOM 1149 NE ARG A 136 -0.765 11.306 7.936 1.00 0.00 N ATOM 1150 CZ ARG A 136 0.400 11.807 7.542 1.00 0.00 C ATOM 1151 NH1 ARG A 136 0.788 11.678 6.281 1.00 0.00 N ATOM 1152 NH2 ARG A 136 1.179 12.440 8.410 1.00 0.00 N ATOM 0 H ARG A 136 -5.466 8.897 8.085 1.00 0.00 H new ATOM 0 HA ARG A 136 -3.832 8.101 10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -2.033 8.828 8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -3.261 8.210 7.765 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -3.810 10.325 6.948 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -3.262 11.150 8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.236 9.648 6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.830 11.179 6.139 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.034 11.423 8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.191 11.193 5.611 1.00 0.00 H new ATOM 0 HH12 ARG A 136 1.683 12.064 5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.883 12.542 9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 136 2.074 12.824 8.106 1.00 0.00 H new