USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 441 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 109 MET CE :methyl -120:sc= -15.5! (180deg=-21.5!) USER MOD Set 1.2: A 145 MET CE :methyl -155:sc= -7.33! (180deg=-9.65!) USER MOD Single : A 97 ASN : amide:sc= -1.25 K(o=-1.3,f=-8.9!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 68:sc= 0.127 USER MOD Single : A 107 HIS :FLIP no HE2:sc= -2.79 F(o=-5.8!,f=-2.8) USER MOD Single : A 110 THR OG1 : rot -49:sc= 1.05 USER MOD Single : A 111 ASN : amide:sc= -11.6! C(o=-12!,f=-21!) USER MOD Single : A 115 LYS NZ :NH3+ -146:sc= -0.017 (180deg=-0.55) USER MOD Single : A 117 THR OG1 : rot 160:sc= -0.265 USER MOD Single : A 124 MET CE :methyl 154:sc= -1.14 (180deg=-2.76!) USER MOD Single : A 135 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.62) USER MOD Single : A 137 ASN :FLIP amide:sc= -4.13! F(o=-4.7,f=-4.1!) USER MOD Single : A 138 TYR OH : rot -53:sc= -4.82! USER MOD Single : A 143 GLN : amide:sc= -0.258 K(o=-0.26,f=-1) USER MOD Single : A 144 MET CE :methyl -118:sc= -11.3! (180deg=-15.9!) USER MOD Single : A 146 THR OG1 : rot -58:sc= 0.863 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -6.238 -3.413 -7.074 1.00 0.00 N ATOM 92 CA GLU A 82 -6.322 -2.554 -5.858 1.00 0.00 C ATOM 93 C GLU A 82 -7.791 -2.370 -5.476 1.00 0.00 C ATOM 94 O GLU A 82 -8.143 -1.474 -4.735 1.00 0.00 O ATOM 95 CB GLU A 82 -5.683 -1.182 -6.120 1.00 0.00 C ATOM 96 CG GLU A 82 -4.758 -1.255 -7.338 1.00 0.00 C ATOM 97 CD GLU A 82 -3.652 -0.206 -7.203 1.00 0.00 C ATOM 98 OE1 GLU A 82 -3.783 0.658 -6.353 1.00 0.00 O ATOM 99 OE2 GLU A 82 -2.693 -0.286 -7.953 1.00 0.00 O ATOM 0 HA GLU A 82 -5.782 -3.038 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.460 -0.437 -6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.119 -0.862 -5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.322 -2.251 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.328 -1.083 -8.251 1.00 0.00 H new ATOM 106 N GLU A 83 -8.655 -3.213 -5.974 1.00 0.00 N ATOM 107 CA GLU A 83 -10.098 -3.086 -5.630 1.00 0.00 C ATOM 108 C GLU A 83 -10.287 -3.428 -4.152 1.00 0.00 C ATOM 109 O GLU A 83 -11.158 -2.901 -3.487 1.00 0.00 O ATOM 110 CB GLU A 83 -10.917 -4.045 -6.493 1.00 0.00 C ATOM 111 CG GLU A 83 -10.655 -5.471 -6.029 1.00 0.00 C ATOM 112 CD GLU A 83 -10.763 -6.429 -7.217 1.00 0.00 C ATOM 113 OE1 GLU A 83 -9.766 -6.615 -7.896 1.00 0.00 O ATOM 114 OE2 GLU A 83 -11.842 -6.958 -7.430 1.00 0.00 O ATOM 0 H GLU A 83 -8.423 -3.982 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.435 -2.066 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.979 -3.811 -6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.645 -3.934 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.663 -5.542 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.373 -5.750 -5.258 1.00 0.00 H new ATOM 121 N GLU A 84 -9.469 -4.301 -3.632 1.00 0.00 N ATOM 122 CA GLU A 84 -9.584 -4.675 -2.196 1.00 0.00 C ATOM 123 C GLU A 84 -8.529 -3.907 -1.399 1.00 0.00 C ATOM 124 O GLU A 84 -8.703 -3.615 -0.233 1.00 0.00 O ATOM 125 CB GLU A 84 -9.351 -6.179 -2.041 1.00 0.00 C ATOM 126 CG GLU A 84 -9.673 -6.600 -0.606 1.00 0.00 C ATOM 127 CD GLU A 84 -8.385 -6.633 0.219 1.00 0.00 C ATOM 128 OE1 GLU A 84 -7.334 -6.822 -0.370 1.00 0.00 O ATOM 129 OE2 GLU A 84 -8.473 -6.469 1.424 1.00 0.00 O ATOM 0 H GLU A 84 -8.723 -4.773 -4.143 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.579 -4.427 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.979 -6.729 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.316 -6.424 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.384 -5.903 -0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.145 -7.582 -0.602 1.00 0.00 H new ATOM 136 N ILE A 85 -7.436 -3.572 -2.029 1.00 0.00 N ATOM 137 CA ILE A 85 -6.365 -2.815 -1.322 1.00 0.00 C ATOM 138 C ILE A 85 -6.882 -1.416 -0.982 1.00 0.00 C ATOM 139 O ILE A 85 -6.890 -1.008 0.162 1.00 0.00 O ATOM 140 CB ILE A 85 -5.141 -2.701 -2.235 1.00 0.00 C ATOM 141 CG1 ILE A 85 -4.448 -4.062 -2.329 1.00 0.00 C ATOM 142 CG2 ILE A 85 -4.164 -1.676 -1.659 1.00 0.00 C ATOM 143 CD1 ILE A 85 -4.817 -4.737 -3.651 1.00 0.00 C ATOM 0 H ILE A 85 -7.239 -3.791 -3.005 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.087 -3.335 -0.405 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.460 -2.382 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.367 -3.936 -2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.747 -4.692 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.294 -1.597 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.655 -0.705 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.846 -1.994 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.322 -5.706 -3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.897 -4.877 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.495 -4.109 -4.482 1.00 0.00 H new ATOM 155 N ARG A 86 -7.312 -0.679 -1.972 1.00 0.00 N ATOM 156 CA ARG A 86 -7.828 0.689 -1.726 1.00 0.00 C ATOM 157 C ARG A 86 -8.675 0.721 -0.453 1.00 0.00 C ATOM 158 O ARG A 86 -8.512 1.581 0.389 1.00 0.00 O ATOM 159 CB ARG A 86 -8.691 1.113 -2.912 1.00 0.00 C ATOM 160 CG ARG A 86 -8.456 2.588 -3.208 1.00 0.00 C ATOM 161 CD ARG A 86 -8.952 3.436 -2.031 1.00 0.00 C ATOM 162 NE ARG A 86 -9.998 4.384 -2.510 1.00 0.00 N ATOM 163 CZ ARG A 86 -11.034 3.935 -3.164 1.00 0.00 C ATOM 164 NH1 ARG A 86 -11.802 3.026 -2.627 1.00 0.00 N ATOM 165 NH2 ARG A 86 -11.304 4.394 -4.356 1.00 0.00 N ATOM 0 H ARG A 86 -7.326 -0.974 -2.948 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.986 1.371 -1.606 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.446 0.512 -3.787 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.744 0.939 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.395 2.770 -3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.979 2.874 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.359 2.793 -1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.121 3.987 -1.590 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.904 5.383 -2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.592 2.666 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.612 2.675 -3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.705 5.104 -4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.114 4.042 -4.866 1.00 0.00 H new ATOM 179 N GLU A 87 -9.582 -0.202 -0.307 1.00 0.00 N ATOM 180 CA GLU A 87 -10.437 -0.210 0.912 1.00 0.00 C ATOM 181 C GLU A 87 -9.547 -0.391 2.138 1.00 0.00 C ATOM 182 O GLU A 87 -9.586 0.390 3.067 1.00 0.00 O ATOM 183 CB GLU A 87 -11.444 -1.359 0.827 1.00 0.00 C ATOM 184 CG GLU A 87 -12.093 -1.572 2.194 1.00 0.00 C ATOM 185 CD GLU A 87 -13.322 -2.472 2.044 1.00 0.00 C ATOM 186 OE1 GLU A 87 -14.326 -1.990 1.547 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.236 -3.626 2.429 1.00 0.00 O ATOM 0 H GLU A 87 -9.769 -0.949 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.981 0.731 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.207 -1.133 0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.943 -2.272 0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.378 -2.027 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.382 -0.613 2.624 1.00 0.00 H new ATOM 194 N ALA A 88 -8.731 -1.408 2.139 1.00 0.00 N ATOM 195 CA ALA A 88 -7.819 -1.627 3.292 1.00 0.00 C ATOM 196 C ALA A 88 -6.571 -0.769 3.073 1.00 0.00 C ATOM 197 O ALA A 88 -5.508 -1.257 2.749 1.00 0.00 O ATOM 198 CB ALA A 88 -7.442 -3.104 3.363 1.00 0.00 C ATOM 0 H ALA A 88 -8.657 -2.096 1.390 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.301 -1.348 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.773 -3.269 4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.343 -3.704 3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.940 -3.396 2.440 1.00 0.00 H new ATOM 204 N PHE A 89 -6.727 0.514 3.228 1.00 0.00 N ATOM 205 CA PHE A 89 -5.607 1.473 3.013 1.00 0.00 C ATOM 206 C PHE A 89 -6.223 2.869 3.039 1.00 0.00 C ATOM 207 O PHE A 89 -5.608 3.833 3.449 1.00 0.00 O ATOM 208 CB PHE A 89 -4.972 1.227 1.644 1.00 0.00 C ATOM 209 CG PHE A 89 -3.477 1.459 1.690 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.685 0.855 2.677 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.875 2.260 0.714 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.298 1.056 2.678 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.497 2.451 0.711 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.706 1.847 1.689 1.00 0.00 C ATOM 0 H PHE A 89 -7.607 0.950 3.502 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.837 1.358 3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.175 0.205 1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.424 1.889 0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.143 0.236 3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.484 2.733 -0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.687 0.600 3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.039 3.067 -0.049 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.364 1.991 1.682 1.00 0.00 H new ATOM 224 N ARG A 90 -7.464 2.962 2.623 1.00 0.00 N ATOM 225 CA ARG A 90 -8.174 4.260 2.638 1.00 0.00 C ATOM 226 C ARG A 90 -8.481 4.613 4.092 1.00 0.00 C ATOM 227 O ARG A 90 -8.972 5.681 4.397 1.00 0.00 O ATOM 228 CB ARG A 90 -9.476 4.131 1.834 1.00 0.00 C ATOM 229 CG ARG A 90 -10.541 3.410 2.666 1.00 0.00 C ATOM 230 CD ARG A 90 -11.851 3.329 1.876 1.00 0.00 C ATOM 231 NE ARG A 90 -11.947 4.486 0.939 1.00 0.00 N ATOM 232 CZ ARG A 90 -12.859 5.400 1.122 1.00 0.00 C ATOM 233 NH1 ARG A 90 -14.101 5.156 0.804 1.00 0.00 N ATOM 234 NH2 ARG A 90 -12.530 6.560 1.622 1.00 0.00 N ATOM 0 H ARG A 90 -8.013 2.178 2.271 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.563 5.044 2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.835 5.120 1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.290 3.580 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.198 2.408 2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.704 3.941 3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.893 2.393 1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.700 3.331 2.560 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.299 4.562 0.155 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.359 4.250 0.412 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.814 5.871 0.947 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.559 6.752 1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.244 7.275 1.765 1.00 0.00 H new ATOM 248 N VAL A 91 -8.189 3.712 4.994 1.00 0.00 N ATOM 249 CA VAL A 91 -8.454 3.978 6.426 1.00 0.00 C ATOM 250 C VAL A 91 -7.390 4.935 6.958 1.00 0.00 C ATOM 251 O VAL A 91 -7.537 5.521 8.011 1.00 0.00 O ATOM 252 CB VAL A 91 -8.385 2.669 7.221 1.00 0.00 C ATOM 253 CG1 VAL A 91 -9.352 2.738 8.405 1.00 0.00 C ATOM 254 CG2 VAL A 91 -8.766 1.491 6.322 1.00 0.00 C ATOM 0 H VAL A 91 -7.777 2.801 4.792 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.446 4.416 6.534 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.368 2.527 7.586 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.303 1.807 8.970 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.076 3.570 9.052 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.367 2.886 8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.714 0.565 6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.781 1.631 5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.075 1.437 5.481 1.00 0.00 H new ATOM 264 N PHE A 92 -6.307 5.084 6.243 1.00 0.00 N ATOM 265 CA PHE A 92 -5.228 5.986 6.718 1.00 0.00 C ATOM 266 C PHE A 92 -5.149 7.239 5.856 1.00 0.00 C ATOM 267 O PHE A 92 -4.951 8.315 6.370 1.00 0.00 O ATOM 268 CB PHE A 92 -3.897 5.262 6.658 1.00 0.00 C ATOM 269 CG PHE A 92 -3.903 4.125 7.645 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.486 4.353 8.958 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.319 2.848 7.250 1.00 0.00 C ATOM 272 CE1 PHE A 92 -3.484 3.303 9.884 1.00 0.00 C ATOM 273 CE2 PHE A 92 -4.315 1.797 8.175 1.00 0.00 C ATOM 274 CZ PHE A 92 -3.898 2.025 9.492 1.00 0.00 C ATOM 0 H PHE A 92 -6.127 4.620 5.353 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.453 6.277 7.744 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.721 4.883 5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.084 5.952 6.886 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.165 5.339 9.259 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.642 2.674 6.234 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.163 3.479 10.900 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.634 0.810 7.873 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.896 1.214 10.206 1.00 0.00 H new ATOM 284 N ASP A 93 -5.285 7.111 4.555 1.00 0.00 N ATOM 285 CA ASP A 93 -5.205 8.309 3.669 1.00 0.00 C ATOM 286 C ASP A 93 -5.981 9.463 4.314 1.00 0.00 C ATOM 287 O ASP A 93 -7.162 9.646 4.097 1.00 0.00 O ATOM 288 CB ASP A 93 -5.786 7.958 2.295 1.00 0.00 C ATOM 289 CG ASP A 93 -7.253 7.551 2.445 1.00 0.00 C ATOM 290 OD1 ASP A 93 -7.705 7.448 3.572 1.00 0.00 O ATOM 291 OD2 ASP A 93 -7.897 7.348 1.429 1.00 0.00 O ATOM 0 H ASP A 93 -5.448 6.227 4.073 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.168 8.617 3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.703 8.813 1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.217 7.144 1.846 1.00 0.00 H new ATOM 337 N ASN A 97 -5.569 10.862 -0.196 1.00 0.00 N ATOM 338 CA ASN A 97 -4.412 11.414 -0.953 1.00 0.00 C ATOM 339 C ASN A 97 -3.704 10.278 -1.687 1.00 0.00 C ATOM 340 O ASN A 97 -2.903 10.500 -2.574 1.00 0.00 O ATOM 341 CB ASN A 97 -3.437 12.081 0.019 1.00 0.00 C ATOM 342 CG ASN A 97 -3.195 11.156 1.215 1.00 0.00 C ATOM 343 OD1 ASN A 97 -3.500 9.981 1.159 1.00 0.00 O ATOM 344 ND2 ASN A 97 -2.656 11.640 2.300 1.00 0.00 N ATOM 0 HA ASN A 97 -4.764 12.152 -1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.495 12.296 -0.485 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.841 13.034 0.359 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.490 11.032 3.102 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.400 12.626 2.346 1.00 0.00 H new ATOM 351 N GLY A 98 -3.989 9.063 -1.318 1.00 0.00 N ATOM 352 CA GLY A 98 -3.331 7.910 -1.984 1.00 0.00 C ATOM 353 C GLY A 98 -2.096 7.518 -1.181 1.00 0.00 C ATOM 354 O GLY A 98 -1.972 6.410 -0.709 1.00 0.00 O ATOM 0 H GLY A 98 -4.651 8.819 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.021 7.069 -2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.050 8.173 -3.004 1.00 0.00 H new ATOM 358 N TYR A 99 -1.177 8.421 -1.012 1.00 0.00 N ATOM 359 CA TYR A 99 0.040 8.084 -0.232 1.00 0.00 C ATOM 360 C TYR A 99 -0.237 8.309 1.253 1.00 0.00 C ATOM 361 O TYR A 99 -0.703 9.355 1.658 1.00 0.00 O ATOM 362 CB TYR A 99 1.207 8.962 -0.702 1.00 0.00 C ATOM 363 CG TYR A 99 1.154 10.311 -0.019 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.652 10.454 1.280 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.604 11.413 -0.685 1.00 0.00 C ATOM 366 CE1 TYR A 99 1.603 11.700 1.915 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.555 12.660 -0.049 1.00 0.00 C ATOM 368 CZ TYR A 99 1.055 12.804 1.251 1.00 0.00 C ATOM 369 OH TYR A 99 1.006 14.033 1.877 1.00 0.00 O ATOM 0 H TYR A 99 -1.215 9.372 -1.378 1.00 0.00 H new ATOM 0 HA TYR A 99 0.306 7.038 -0.387 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.154 8.470 -0.479 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.162 9.092 -1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.074 9.603 1.793 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.218 11.302 -1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.988 11.810 2.918 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.131 13.511 -0.562 1.00 0.00 H new ATOM 0 HH TYR A 99 0.597 14.690 1.276 1.00 0.00 H new ATOM 379 N ILE A 100 0.038 7.331 2.068 1.00 0.00 N ATOM 380 CA ILE A 100 -0.218 7.494 3.519 1.00 0.00 C ATOM 381 C ILE A 100 1.122 7.526 4.271 1.00 0.00 C ATOM 382 O ILE A 100 1.595 8.577 4.656 1.00 0.00 O ATOM 383 CB ILE A 100 -1.111 6.353 4.050 1.00 0.00 C ATOM 384 CG1 ILE A 100 -1.448 5.325 2.959 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.412 6.949 4.576 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.564 4.119 3.160 1.00 0.00 C ATOM 0 H ILE A 100 0.428 6.430 1.791 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.746 8.433 3.684 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.561 5.840 4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.499 5.040 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.287 5.754 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.051 6.151 4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.192 7.650 5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.925 7.473 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.786 3.374 2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.482 4.417 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.749 3.693 4.146 1.00 0.00 H new ATOM 398 N SER A 101 1.744 6.396 4.482 1.00 0.00 N ATOM 399 CA SER A 101 3.048 6.386 5.201 1.00 0.00 C ATOM 400 C SER A 101 3.498 4.938 5.416 1.00 0.00 C ATOM 401 O SER A 101 2.760 4.007 5.169 1.00 0.00 O ATOM 402 CB SER A 101 2.878 7.070 6.555 1.00 0.00 C ATOM 403 OG SER A 101 3.687 8.239 6.596 1.00 0.00 O ATOM 0 H SER A 101 1.404 5.481 4.187 1.00 0.00 H new ATOM 0 HA SER A 101 3.797 6.916 4.613 1.00 0.00 H new ATOM 0 HB2 SER A 101 1.832 7.332 6.714 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.162 6.389 7.357 1.00 0.00 H new ATOM 0 HG SER A 101 3.338 8.901 5.963 1.00 0.00 H new ATOM 409 N ALA A 102 4.700 4.737 5.882 1.00 0.00 N ATOM 410 CA ALA A 102 5.175 3.345 6.118 1.00 0.00 C ATOM 411 C ALA A 102 4.342 2.733 7.240 1.00 0.00 C ATOM 412 O ALA A 102 3.758 1.678 7.091 1.00 0.00 O ATOM 413 CB ALA A 102 6.650 3.364 6.523 1.00 0.00 C ATOM 0 H ALA A 102 5.370 5.472 6.108 1.00 0.00 H new ATOM 0 HA ALA A 102 5.068 2.755 5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.993 2.344 6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.240 3.816 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.769 3.945 7.437 1.00 0.00 H new ATOM 419 N ALA A 103 4.273 3.392 8.361 1.00 0.00 N ATOM 420 CA ALA A 103 3.468 2.855 9.486 1.00 0.00 C ATOM 421 C ALA A 103 2.082 2.477 8.971 1.00 0.00 C ATOM 422 O ALA A 103 1.399 1.653 9.546 1.00 0.00 O ATOM 423 CB ALA A 103 3.338 3.918 10.579 1.00 0.00 C ATOM 0 H ALA A 103 4.740 4.280 8.545 1.00 0.00 H new ATOM 0 HA ALA A 103 3.959 1.975 9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.746 3.521 11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.329 4.190 10.941 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.846 4.801 10.171 1.00 0.00 H new ATOM 429 N GLU A 104 1.661 3.067 7.884 1.00 0.00 N ATOM 430 CA GLU A 104 0.323 2.729 7.335 1.00 0.00 C ATOM 431 C GLU A 104 0.381 1.353 6.687 1.00 0.00 C ATOM 432 O GLU A 104 -0.452 0.508 6.929 1.00 0.00 O ATOM 433 CB GLU A 104 -0.071 3.752 6.277 1.00 0.00 C ATOM 434 CG GLU A 104 -0.957 4.819 6.911 1.00 0.00 C ATOM 435 CD GLU A 104 -0.086 5.964 7.431 1.00 0.00 C ATOM 436 OE1 GLU A 104 0.889 5.681 8.107 1.00 0.00 O ATOM 437 OE2 GLU A 104 -0.409 7.105 7.144 1.00 0.00 O ATOM 0 H GLU A 104 2.186 3.765 7.357 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.409 2.734 8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.820 4.211 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.601 3.262 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.672 5.195 6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.535 4.388 7.728 1.00 0.00 H new ATOM 444 N LEU A 105 1.358 1.130 5.856 1.00 0.00 N ATOM 445 CA LEU A 105 1.472 -0.185 5.178 1.00 0.00 C ATOM 446 C LEU A 105 1.650 -1.293 6.213 1.00 0.00 C ATOM 447 O LEU A 105 0.955 -2.288 6.195 1.00 0.00 O ATOM 448 CB LEU A 105 2.670 -0.167 4.243 1.00 0.00 C ATOM 449 CG LEU A 105 2.202 -0.550 2.843 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.382 0.643 1.906 1.00 0.00 C ATOM 451 CD2 LEU A 105 3.024 -1.742 2.343 1.00 0.00 C ATOM 0 H LEU A 105 2.084 1.805 5.617 1.00 0.00 H new ATOM 0 HA LEU A 105 0.563 -0.374 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.126 0.823 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.432 -0.865 4.591 1.00 0.00 H new ATOM 0 HG LEU A 105 1.148 -0.828 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.048 0.372 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.792 1.484 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.434 0.925 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.692 -2.019 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.079 -1.470 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.887 -2.587 3.017 1.00 0.00 H new ATOM 463 N ARG A 106 2.580 -1.137 7.113 1.00 0.00 N ATOM 464 CA ARG A 106 2.792 -2.198 8.138 1.00 0.00 C ATOM 465 C ARG A 106 1.463 -2.543 8.812 1.00 0.00 C ATOM 466 O ARG A 106 1.159 -3.693 9.063 1.00 0.00 O ATOM 467 CB ARG A 106 3.779 -1.698 9.191 1.00 0.00 C ATOM 468 CG ARG A 106 3.351 -0.326 9.700 1.00 0.00 C ATOM 469 CD ARG A 106 2.450 -0.488 10.927 1.00 0.00 C ATOM 470 NE ARG A 106 2.948 0.386 12.024 1.00 0.00 N ATOM 471 CZ ARG A 106 2.947 -0.046 13.255 1.00 0.00 C ATOM 472 NH1 ARG A 106 1.829 -0.420 13.814 1.00 0.00 N ATOM 473 NH2 ARG A 106 4.064 -0.106 13.925 1.00 0.00 N ATOM 0 H ARG A 106 3.198 -0.329 7.184 1.00 0.00 H new ATOM 0 HA ARG A 106 3.192 -3.089 7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.827 -2.404 10.020 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.780 -1.640 8.764 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.229 0.267 9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.820 0.214 8.916 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.423 -0.225 10.675 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.442 -1.529 11.251 1.00 0.00 H new ATOM 0 HE ARG A 106 3.290 1.323 11.813 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.956 -0.375 13.289 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.828 -0.758 14.776 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.938 0.185 13.487 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.064 -0.444 14.887 1.00 0.00 H new ATOM 487 N HIS A 107 0.680 -1.553 9.123 1.00 0.00 N ATOM 488 CA HIS A 107 -0.625 -1.807 9.803 1.00 0.00 C ATOM 489 C HIS A 107 -1.652 -2.384 8.823 1.00 0.00 C ATOM 490 O HIS A 107 -2.547 -3.107 9.212 1.00 0.00 O ATOM 491 CB HIS A 107 -1.169 -0.490 10.364 1.00 0.00 C ATOM 492 CG HIS A 107 -2.549 -0.715 10.923 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.725 -1.130 10.342 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -2.844 -0.507 12.262 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -4.730 -1.179 11.303 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -4.146 -0.794 12.440 1.00 0.00 N flip ATOM 0 H HIS A 107 0.885 -0.571 8.936 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.458 -2.526 10.605 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.506 -0.113 11.143 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.201 0.266 9.580 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -3.842 -1.366 9.357 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.154 -0.175 13.023 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.761 -1.467 11.160 1.00 0.00 H new ATOM 504 N VAL A 108 -1.555 -2.063 7.562 1.00 0.00 N ATOM 505 CA VAL A 108 -2.564 -2.595 6.597 1.00 0.00 C ATOM 506 C VAL A 108 -2.091 -3.900 5.958 1.00 0.00 C ATOM 507 O VAL A 108 -2.683 -4.929 6.168 1.00 0.00 O ATOM 508 CB VAL A 108 -2.883 -1.573 5.496 1.00 0.00 C ATOM 509 CG1 VAL A 108 -3.860 -0.530 6.040 1.00 0.00 C ATOM 510 CG2 VAL A 108 -1.616 -0.869 5.018 1.00 0.00 C ATOM 0 H VAL A 108 -0.833 -1.465 7.160 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.471 -2.791 7.168 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.326 -2.103 4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.088 0.197 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.779 -1.023 6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.410 -0.019 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.871 -0.151 4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.152 -0.347 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.919 -1.606 4.619 1.00 0.00 H new ATOM 520 N MET A 109 -1.055 -3.881 5.166 1.00 0.00 N ATOM 521 CA MET A 109 -0.611 -5.146 4.511 1.00 0.00 C ATOM 522 C MET A 109 -0.652 -6.324 5.489 1.00 0.00 C ATOM 523 O MET A 109 -0.737 -7.466 5.082 1.00 0.00 O ATOM 524 CB MET A 109 0.794 -4.983 3.946 1.00 0.00 C ATOM 525 CG MET A 109 0.715 -5.202 2.438 1.00 0.00 C ATOM 526 SD MET A 109 2.295 -4.803 1.666 1.00 0.00 S ATOM 527 CE MET A 109 1.615 -4.424 0.035 1.00 0.00 C ATOM 0 H MET A 109 -0.501 -3.054 4.945 1.00 0.00 H new ATOM 0 HA MET A 109 -1.302 -5.360 3.695 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.183 -3.989 4.168 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.475 -5.701 4.402 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.451 -6.238 2.227 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.073 -4.579 2.014 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.049 -5.096 -0.705 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.533 -4.554 0.053 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.852 -3.393 -0.228 1.00 0.00 H new ATOM 537 N THR A 110 -0.613 -6.076 6.767 1.00 0.00 N ATOM 538 CA THR A 110 -0.673 -7.206 7.739 1.00 0.00 C ATOM 539 C THR A 110 -2.141 -7.575 8.008 1.00 0.00 C ATOM 540 O THR A 110 -2.481 -8.063 9.066 1.00 0.00 O ATOM 541 CB THR A 110 -0.006 -6.788 9.049 1.00 0.00 C ATOM 542 OG1 THR A 110 -0.051 -7.870 9.969 1.00 0.00 O ATOM 543 CG2 THR A 110 -0.749 -5.590 9.634 1.00 0.00 C ATOM 0 H THR A 110 -0.543 -5.146 7.181 1.00 0.00 H new ATOM 0 HA THR A 110 -0.152 -8.069 7.324 1.00 0.00 H new ATOM 0 HB THR A 110 1.033 -6.516 8.860 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.963 -8.225 10.012 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.276 -5.289 10.569 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.716 -4.761 8.927 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.787 -5.863 9.824 1.00 0.00 H new ATOM 551 N ASN A 111 -3.011 -7.352 7.053 1.00 0.00 N ATOM 552 CA ASN A 111 -4.449 -7.695 7.248 1.00 0.00 C ATOM 553 C ASN A 111 -5.203 -7.573 5.914 1.00 0.00 C ATOM 554 O ASN A 111 -6.155 -8.288 5.671 1.00 0.00 O ATOM 555 CB ASN A 111 -5.097 -6.773 8.294 1.00 0.00 C ATOM 556 CG ASN A 111 -4.413 -5.401 8.323 1.00 0.00 C ATOM 557 OD1 ASN A 111 -3.205 -5.306 8.386 1.00 0.00 O ATOM 558 ND2 ASN A 111 -5.149 -4.321 8.299 1.00 0.00 N ATOM 0 H ASN A 111 -2.784 -6.946 6.145 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.508 -8.722 7.608 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.156 -6.650 8.068 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.033 -7.235 9.279 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.708 -3.402 8.333 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.165 -4.397 8.246 1.00 0.00 H new ATOM 565 N LEU A 112 -4.791 -6.684 5.043 1.00 0.00 N ATOM 566 CA LEU A 112 -5.499 -6.548 3.737 1.00 0.00 C ATOM 567 C LEU A 112 -5.695 -7.939 3.133 1.00 0.00 C ATOM 568 O LEU A 112 -6.592 -8.171 2.349 1.00 0.00 O ATOM 569 CB LEU A 112 -4.671 -5.695 2.757 1.00 0.00 C ATOM 570 CG LEU A 112 -4.089 -4.433 3.428 1.00 0.00 C ATOM 571 CD1 LEU A 112 -4.001 -3.316 2.388 1.00 0.00 C ATOM 572 CD2 LEU A 112 -4.975 -3.966 4.593 1.00 0.00 C ATOM 0 H LEU A 112 -4.002 -6.053 5.180 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.460 -6.062 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.857 -6.297 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.298 -5.400 1.916 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.101 -4.672 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.591 -2.419 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.353 -3.631 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.997 -3.101 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.540 -3.075 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.973 -3.733 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.042 -4.758 5.339 1.00 0.00 H new ATOM 584 N GLY A 113 -4.850 -8.861 3.494 1.00 0.00 N ATOM 585 CA GLY A 113 -4.960 -10.243 2.949 1.00 0.00 C ATOM 586 C GLY A 113 -3.560 -10.851 2.869 1.00 0.00 C ATOM 587 O GLY A 113 -3.390 -12.053 2.853 1.00 0.00 O ATOM 0 H GLY A 113 -4.081 -8.716 4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -5.600 -10.851 3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -5.421 -10.224 1.961 1.00 0.00 H new ATOM 591 N GLU A 114 -2.556 -10.019 2.828 1.00 0.00 N ATOM 592 CA GLU A 114 -1.160 -10.531 2.758 1.00 0.00 C ATOM 593 C GLU A 114 -0.752 -11.062 4.135 1.00 0.00 C ATOM 594 O GLU A 114 -0.187 -12.132 4.259 1.00 0.00 O ATOM 595 CB GLU A 114 -0.224 -9.390 2.352 1.00 0.00 C ATOM 596 CG GLU A 114 -0.636 -8.857 0.977 1.00 0.00 C ATOM 597 CD GLU A 114 -1.709 -7.780 1.145 1.00 0.00 C ATOM 598 OE1 GLU A 114 -1.601 -7.004 2.080 1.00 0.00 O ATOM 599 OE2 GLU A 114 -2.621 -7.749 0.335 1.00 0.00 O ATOM 0 H GLU A 114 -2.644 -9.003 2.840 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.095 -11.333 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.266 -8.590 3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.807 -9.744 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.231 -8.444 0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -1.016 -9.671 0.359 1.00 0.00 H new ATOM 606 N LYS A 115 -1.038 -10.320 5.170 1.00 0.00 N ATOM 607 CA LYS A 115 -0.672 -10.771 6.544 1.00 0.00 C ATOM 608 C LYS A 115 0.788 -11.224 6.565 1.00 0.00 C ATOM 609 O LYS A 115 1.085 -12.397 6.456 1.00 0.00 O ATOM 610 CB LYS A 115 -1.572 -11.937 6.959 1.00 0.00 C ATOM 611 CG LYS A 115 -1.756 -11.921 8.477 1.00 0.00 C ATOM 612 CD LYS A 115 -2.515 -13.176 8.914 1.00 0.00 C ATOM 613 CE LYS A 115 -3.833 -13.273 8.141 1.00 0.00 C ATOM 614 NZ LYS A 115 -4.601 -12.008 8.313 1.00 0.00 N ATOM 0 H LYS A 115 -1.511 -9.418 5.123 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.805 -9.943 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.540 -11.858 6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.129 -12.882 6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.785 -11.880 8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.305 -11.028 8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -1.908 -14.063 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.712 -13.140 9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.635 -13.451 7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.418 -14.119 8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.619 -12.219 8.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.327 -11.555 9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.393 -11.365 7.522 1.00 0.00 H new ATOM 628 N LEU A 116 1.703 -10.305 6.707 1.00 0.00 N ATOM 629 CA LEU A 116 3.137 -10.687 6.736 1.00 0.00 C ATOM 630 C LEU A 116 3.760 -10.191 8.048 1.00 0.00 C ATOM 631 O LEU A 116 3.318 -10.547 9.123 1.00 0.00 O ATOM 632 CB LEU A 116 3.845 -10.061 5.528 1.00 0.00 C ATOM 633 CG LEU A 116 3.544 -8.559 5.467 1.00 0.00 C ATOM 634 CD1 LEU A 116 4.647 -7.850 4.681 1.00 0.00 C ATOM 635 CD2 LEU A 116 2.201 -8.335 4.767 1.00 0.00 C ATOM 0 H LEU A 116 1.517 -9.307 6.804 1.00 0.00 H new ATOM 0 HA LEU A 116 3.245 -11.770 6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.920 -10.222 5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.512 -10.545 4.610 1.00 0.00 H new ATOM 0 HG LEU A 116 3.500 -8.157 6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.434 -6.782 4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.605 -8.009 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.689 -8.253 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.987 -7.267 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.247 -8.737 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.412 -8.841 5.323 1.00 0.00 H new ATOM 647 N THR A 117 4.767 -9.365 7.979 1.00 0.00 N ATOM 648 CA THR A 117 5.391 -8.849 9.226 1.00 0.00 C ATOM 649 C THR A 117 5.413 -7.324 9.162 1.00 0.00 C ATOM 650 O THR A 117 5.250 -6.743 8.111 1.00 0.00 O ATOM 651 CB THR A 117 6.816 -9.381 9.346 1.00 0.00 C ATOM 652 OG1 THR A 117 7.464 -8.760 10.451 1.00 0.00 O ATOM 653 CG2 THR A 117 7.566 -9.064 8.059 1.00 0.00 C ATOM 0 H THR A 117 5.184 -9.026 7.112 1.00 0.00 H new ATOM 0 HA THR A 117 4.819 -9.177 10.094 1.00 0.00 H new ATOM 0 HB THR A 117 6.801 -10.459 9.506 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.230 -9.305 10.729 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.587 -9.439 8.131 1.00 0.00 H new ATOM 0 HG22 THR A 117 7.063 -9.541 7.218 1.00 0.00 H new ATOM 0 HG23 THR A 117 7.586 -7.985 7.906 1.00 0.00 H new ATOM 661 N ASP A 118 5.603 -6.668 10.271 1.00 0.00 N ATOM 662 CA ASP A 118 5.618 -5.178 10.253 1.00 0.00 C ATOM 663 C ASP A 118 7.040 -4.672 10.001 1.00 0.00 C ATOM 664 O ASP A 118 7.269 -3.485 9.892 1.00 0.00 O ATOM 665 CB ASP A 118 5.119 -4.646 11.598 1.00 0.00 C ATOM 666 CG ASP A 118 3.655 -5.046 11.800 1.00 0.00 C ATOM 667 OD1 ASP A 118 3.306 -6.156 11.434 1.00 0.00 O ATOM 668 OD2 ASP A 118 2.909 -4.234 12.322 1.00 0.00 O ATOM 0 H ASP A 118 5.748 -7.095 11.186 1.00 0.00 H new ATOM 0 HA ASP A 118 4.966 -4.825 9.454 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.730 -5.045 12.407 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.217 -3.561 11.630 1.00 0.00 H new ATOM 673 N GLU A 119 7.999 -5.553 9.902 1.00 0.00 N ATOM 674 CA GLU A 119 9.393 -5.090 9.650 1.00 0.00 C ATOM 675 C GLU A 119 9.708 -5.216 8.163 1.00 0.00 C ATOM 676 O GLU A 119 10.432 -4.416 7.603 1.00 0.00 O ATOM 677 CB GLU A 119 10.386 -5.925 10.467 1.00 0.00 C ATOM 678 CG GLU A 119 10.237 -7.409 10.118 1.00 0.00 C ATOM 679 CD GLU A 119 11.482 -7.880 9.366 1.00 0.00 C ATOM 680 OE1 GLU A 119 12.138 -7.047 8.764 1.00 0.00 O ATOM 681 OE2 GLU A 119 11.760 -9.068 9.406 1.00 0.00 O ATOM 0 H GLU A 119 7.879 -6.563 9.984 1.00 0.00 H new ATOM 0 HA GLU A 119 9.483 -4.047 9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.405 -5.596 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.210 -5.774 11.532 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.103 -7.996 11.027 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.349 -7.563 9.506 1.00 0.00 H new ATOM 688 N GLU A 120 9.163 -6.201 7.509 1.00 0.00 N ATOM 689 CA GLU A 120 9.428 -6.347 6.055 1.00 0.00 C ATOM 690 C GLU A 120 8.534 -5.353 5.311 1.00 0.00 C ATOM 691 O GLU A 120 8.985 -4.605 4.467 1.00 0.00 O ATOM 692 CB GLU A 120 9.149 -7.797 5.618 1.00 0.00 C ATOM 693 CG GLU A 120 7.726 -7.945 5.063 1.00 0.00 C ATOM 694 CD GLU A 120 7.560 -9.343 4.467 1.00 0.00 C ATOM 695 OE1 GLU A 120 7.955 -10.294 5.121 1.00 0.00 O ATOM 696 OE2 GLU A 120 7.044 -9.439 3.366 1.00 0.00 O ATOM 0 H GLU A 120 8.549 -6.907 7.916 1.00 0.00 H new ATOM 0 HA GLU A 120 10.472 -6.133 5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.871 -8.096 4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.283 -8.468 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.995 -7.786 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.540 -7.188 4.301 1.00 0.00 H new ATOM 703 N VAL A 121 7.269 -5.324 5.640 1.00 0.00 N ATOM 704 CA VAL A 121 6.353 -4.359 4.976 1.00 0.00 C ATOM 705 C VAL A 121 6.946 -2.962 5.126 1.00 0.00 C ATOM 706 O VAL A 121 6.996 -2.188 4.189 1.00 0.00 O ATOM 707 CB VAL A 121 4.980 -4.394 5.653 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.154 -4.310 7.168 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.144 -3.207 5.173 1.00 0.00 C ATOM 0 H VAL A 121 6.834 -5.927 6.339 1.00 0.00 H new ATOM 0 HA VAL A 121 6.238 -4.619 3.924 1.00 0.00 H new ATOM 0 HB VAL A 121 4.474 -5.325 5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.176 -4.335 7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.750 -5.155 7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.661 -3.380 7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.167 -3.232 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.652 -2.277 5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.017 -3.265 4.092 1.00 0.00 H new ATOM 719 N ASP A 122 7.405 -2.637 6.304 1.00 0.00 N ATOM 720 CA ASP A 122 8.006 -1.294 6.526 1.00 0.00 C ATOM 721 C ASP A 122 9.270 -1.162 5.676 1.00 0.00 C ATOM 722 O ASP A 122 9.492 -0.157 5.029 1.00 0.00 O ATOM 723 CB ASP A 122 8.360 -1.133 8.006 1.00 0.00 C ATOM 724 CG ASP A 122 8.590 0.347 8.321 1.00 0.00 C ATOM 725 OD1 ASP A 122 9.113 1.041 7.465 1.00 0.00 O ATOM 726 OD2 ASP A 122 8.242 0.760 9.415 1.00 0.00 O ATOM 0 H ASP A 122 7.389 -3.246 7.122 1.00 0.00 H new ATOM 0 HA ASP A 122 7.294 -0.520 6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.556 -1.527 8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.255 -1.709 8.241 1.00 0.00 H new ATOM 731 N GLU A 123 10.098 -2.171 5.663 1.00 0.00 N ATOM 732 CA GLU A 123 11.340 -2.101 4.845 1.00 0.00 C ATOM 733 C GLU A 123 10.979 -2.303 3.371 1.00 0.00 C ATOM 734 O GLU A 123 11.828 -2.268 2.504 1.00 0.00 O ATOM 735 CB GLU A 123 12.316 -3.192 5.288 1.00 0.00 C ATOM 736 CG GLU A 123 13.555 -2.544 5.910 1.00 0.00 C ATOM 737 CD GLU A 123 13.221 -2.051 7.320 1.00 0.00 C ATOM 738 OE1 GLU A 123 12.334 -1.223 7.441 1.00 0.00 O ATOM 739 OE2 GLU A 123 13.858 -2.510 8.253 1.00 0.00 O ATOM 0 H GLU A 123 9.968 -3.039 6.183 1.00 0.00 H new ATOM 0 HA GLU A 123 11.811 -1.127 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.836 -3.853 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.603 -3.807 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.373 -3.263 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.892 -1.711 5.292 1.00 0.00 H new ATOM 746 N MET A 124 9.720 -2.515 3.083 1.00 0.00 N ATOM 747 CA MET A 124 9.302 -2.717 1.669 1.00 0.00 C ATOM 748 C MET A 124 8.881 -1.375 1.070 1.00 0.00 C ATOM 749 O MET A 124 8.948 -1.172 -0.126 1.00 0.00 O ATOM 750 CB MET A 124 8.122 -3.690 1.619 1.00 0.00 C ATOM 751 CG MET A 124 8.254 -4.594 0.392 1.00 0.00 C ATOM 752 SD MET A 124 8.130 -3.594 -1.113 1.00 0.00 S ATOM 753 CE MET A 124 9.550 -4.309 -1.977 1.00 0.00 C ATOM 0 H MET A 124 8.966 -2.556 3.768 1.00 0.00 H new ATOM 0 HA MET A 124 10.134 -3.128 1.098 1.00 0.00 H new ATOM 0 HB2 MET A 124 8.096 -4.293 2.527 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.183 -3.137 1.577 1.00 0.00 H new ATOM 0 HG2 MET A 124 9.209 -5.119 0.415 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.473 -5.354 0.402 1.00 0.00 H new ATOM 0 HE1 MET A 124 9.412 -4.204 -3.053 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.459 -3.789 -1.675 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.636 -5.366 -1.724 1.00 0.00 H new ATOM 763 N ILE A 125 8.447 -0.454 1.888 1.00 0.00 N ATOM 764 CA ILE A 125 8.029 0.871 1.349 1.00 0.00 C ATOM 765 C ILE A 125 9.252 1.568 0.758 1.00 0.00 C ATOM 766 O ILE A 125 9.180 2.179 -0.288 1.00 0.00 O ATOM 767 CB ILE A 125 7.403 1.708 2.480 1.00 0.00 C ATOM 768 CG1 ILE A 125 5.892 1.688 2.301 1.00 0.00 C ATOM 769 CG2 ILE A 125 7.891 3.163 2.442 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.277 0.708 3.297 1.00 0.00 C ATOM 0 H ILE A 125 8.364 -0.561 2.899 1.00 0.00 H new ATOM 0 HA ILE A 125 7.282 0.748 0.565 1.00 0.00 H new ATOM 0 HB ILE A 125 7.697 1.280 3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.483 2.686 2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.639 1.395 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.428 3.723 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 125 8.975 3.186 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.617 3.614 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.194 0.692 3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.678 -0.290 3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.519 1.021 4.313 1.00 0.00 H new ATOM 782 N ARG A 126 10.379 1.470 1.401 1.00 0.00 N ATOM 783 CA ARG A 126 11.595 2.117 0.837 1.00 0.00 C ATOM 784 C ARG A 126 11.674 1.759 -0.648 1.00 0.00 C ATOM 785 O ARG A 126 12.286 2.451 -1.436 1.00 0.00 O ATOM 786 CB ARG A 126 12.844 1.610 1.565 1.00 0.00 C ATOM 787 CG ARG A 126 12.782 0.087 1.713 1.00 0.00 C ATOM 788 CD ARG A 126 13.894 -0.383 2.654 1.00 0.00 C ATOM 789 NE ARG A 126 14.148 0.660 3.688 1.00 0.00 N ATOM 790 CZ ARG A 126 13.341 0.781 4.709 1.00 0.00 C ATOM 791 NH1 ARG A 126 12.069 0.991 4.513 1.00 0.00 N ATOM 792 NH2 ARG A 126 13.808 0.691 5.924 1.00 0.00 N ATOM 0 H ARG A 126 10.512 0.976 2.283 1.00 0.00 H new ATOM 0 HA ARG A 126 11.541 3.198 0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.738 1.894 1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.917 2.076 2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.810 -0.211 2.105 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.892 -0.388 0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.608 -1.320 3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.805 -0.578 2.088 1.00 0.00 H new ATOM 0 HE ARG A 126 14.953 1.280 3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.704 1.061 3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.439 1.085 5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.803 0.526 6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.178 0.785 6.721 1.00 0.00 H new ATOM 806 N GLU A 127 11.050 0.675 -1.028 1.00 0.00 N ATOM 807 CA GLU A 127 11.062 0.249 -2.451 1.00 0.00 C ATOM 808 C GLU A 127 10.021 1.043 -3.252 1.00 0.00 C ATOM 809 O GLU A 127 10.277 1.460 -4.364 1.00 0.00 O ATOM 810 CB GLU A 127 10.718 -1.238 -2.524 1.00 0.00 C ATOM 811 CG GLU A 127 10.721 -1.693 -3.985 1.00 0.00 C ATOM 812 CD GLU A 127 12.156 -1.977 -4.429 1.00 0.00 C ATOM 813 OE1 GLU A 127 13.028 -1.992 -3.575 1.00 0.00 O ATOM 814 OE2 GLU A 127 12.361 -2.175 -5.616 1.00 0.00 O ATOM 0 H GLU A 127 10.527 0.062 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 127 12.051 0.432 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 127 11.441 -1.818 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.740 -1.418 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 127 10.110 -2.588 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.279 -0.923 -4.617 1.00 0.00 H new ATOM 821 N ALA A 128 8.839 1.243 -2.716 1.00 0.00 N ATOM 822 CA ALA A 128 7.802 1.993 -3.486 1.00 0.00 C ATOM 823 C ALA A 128 7.886 3.492 -3.173 1.00 0.00 C ATOM 824 O ALA A 128 8.023 4.311 -4.060 1.00 0.00 O ATOM 825 CB ALA A 128 6.414 1.465 -3.111 1.00 0.00 C ATOM 0 H ALA A 128 8.553 0.923 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 128 7.976 1.849 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.654 2.010 -3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.351 0.404 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.248 1.605 -2.043 1.00 0.00 H new ATOM 831 N ASP A 129 7.786 3.859 -1.925 1.00 0.00 N ATOM 832 CA ASP A 129 7.841 5.306 -1.559 1.00 0.00 C ATOM 833 C ASP A 129 9.067 5.975 -2.187 1.00 0.00 C ATOM 834 O ASP A 129 8.948 6.775 -3.094 1.00 0.00 O ATOM 835 CB ASP A 129 7.912 5.441 -0.037 1.00 0.00 C ATOM 836 CG ASP A 129 8.130 6.908 0.335 1.00 0.00 C ATOM 837 OD1 ASP A 129 8.079 7.740 -0.556 1.00 0.00 O ATOM 838 OD2 ASP A 129 8.344 7.176 1.507 1.00 0.00 O ATOM 0 H ASP A 129 7.668 3.219 -1.140 1.00 0.00 H new ATOM 0 HA ASP A 129 6.944 5.797 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.991 5.073 0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.725 4.830 0.355 1.00 0.00 H new ATOM 893 N GLY A 134 4.308 11.437 -2.940 1.00 0.00 N ATOM 894 CA GLY A 134 3.818 11.106 -1.574 1.00 0.00 C ATOM 895 C GLY A 134 4.520 9.836 -1.085 1.00 0.00 C ATOM 896 O GLY A 134 5.083 9.094 -1.864 1.00 0.00 O ATOM 0 HA2 GLY A 134 4.018 11.933 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.738 10.958 -1.587 1.00 0.00 H new ATOM 900 N GLN A 135 4.496 9.581 0.194 1.00 0.00 N ATOM 901 CA GLN A 135 5.165 8.356 0.723 1.00 0.00 C ATOM 902 C GLN A 135 4.780 7.152 -0.138 1.00 0.00 C ATOM 903 O GLN A 135 5.376 6.903 -1.165 1.00 0.00 O ATOM 904 CB GLN A 135 4.726 8.118 2.170 1.00 0.00 C ATOM 905 CG GLN A 135 5.411 9.134 3.086 1.00 0.00 C ATOM 906 CD GLN A 135 6.675 8.513 3.684 1.00 0.00 C ATOM 907 OE1 GLN A 135 6.609 7.503 4.357 1.00 0.00 O ATOM 908 NE2 GLN A 135 7.831 9.078 3.467 1.00 0.00 N ATOM 0 H GLN A 135 4.043 10.166 0.896 1.00 0.00 H new ATOM 0 HA GLN A 135 6.246 8.490 0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.643 8.211 2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.983 7.104 2.477 1.00 0.00 H new ATOM 0 HG2 GLN A 135 5.666 10.032 2.524 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.731 9.438 3.882 1.00 0.00 H new ATOM 0 HE21 GLN A 135 7.886 9.926 2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 135 8.679 8.672 3.862 1.00 0.00 H new ATOM 917 N VAL A 136 3.792 6.400 0.263 1.00 0.00 N ATOM 918 CA VAL A 136 3.393 5.217 -0.551 1.00 0.00 C ATOM 919 C VAL A 136 1.944 5.372 -0.998 1.00 0.00 C ATOM 920 O VAL A 136 1.029 5.175 -0.223 1.00 0.00 O ATOM 921 CB VAL A 136 3.551 3.935 0.282 1.00 0.00 C ATOM 922 CG1 VAL A 136 3.343 4.256 1.764 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.523 2.881 -0.158 1.00 0.00 C ATOM 0 H VAL A 136 3.247 6.551 1.112 1.00 0.00 H new ATOM 0 HA VAL A 136 4.034 5.149 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 136 4.555 3.539 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.455 3.346 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.083 4.989 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 136 2.342 4.662 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.648 1.979 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.516 3.274 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.675 2.641 -1.210 1.00 0.00 H new ATOM 933 N ASN A 137 1.721 5.690 -2.240 1.00 0.00 N ATOM 934 CA ASN A 137 0.324 5.821 -2.708 1.00 0.00 C ATOM 935 C ASN A 137 -0.267 4.425 -2.863 1.00 0.00 C ATOM 936 O ASN A 137 0.283 3.455 -2.382 1.00 0.00 O ATOM 937 CB ASN A 137 0.277 6.578 -4.039 1.00 0.00 C ATOM 938 CG ASN A 137 1.387 6.086 -4.972 1.00 0.00 C ATOM 939 OD1 ASN A 137 1.089 5.266 -5.941 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 2.533 6.462 -4.826 1.00 0.00 N flip ATOM 0 H ASN A 137 2.440 5.863 -2.942 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.260 6.387 -1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.695 6.435 -4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.390 7.647 -3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 137 2.767 7.103 -4.068 1.00 0.00 H new ATOM 0 HD22 ASN A 137 3.261 6.136 -5.461 1.00 0.00 H new ATOM 947 N TYR A 138 -1.387 4.310 -3.503 1.00 0.00 N ATOM 948 CA TYR A 138 -2.011 2.974 -3.655 1.00 0.00 C ATOM 949 C TYR A 138 -1.456 2.300 -4.892 1.00 0.00 C ATOM 950 O TYR A 138 -1.231 1.106 -4.922 1.00 0.00 O ATOM 951 CB TYR A 138 -3.516 3.139 -3.812 1.00 0.00 C ATOM 952 CG TYR A 138 -4.126 3.519 -2.489 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.504 4.462 -1.661 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.323 2.931 -2.100 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.089 4.818 -0.443 1.00 0.00 C ATOM 956 CE2 TYR A 138 -5.910 3.282 -0.879 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.291 4.228 -0.052 1.00 0.00 C ATOM 958 OH TYR A 138 -5.865 4.575 1.150 1.00 0.00 O ATOM 0 H TYR A 138 -1.899 5.083 -3.929 1.00 0.00 H new ATOM 0 HA TYR A 138 -1.795 2.367 -2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.732 3.906 -4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.958 2.210 -4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.571 4.914 -1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.800 2.203 -2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.612 5.548 0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -6.839 2.824 -0.575 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.206 4.475 1.868 1.00 0.00 H new ATOM 968 N GLU A 139 -1.240 3.058 -5.918 1.00 0.00 N ATOM 969 CA GLU A 139 -0.705 2.462 -7.162 1.00 0.00 C ATOM 970 C GLU A 139 0.690 1.901 -6.878 1.00 0.00 C ATOM 971 O GLU A 139 1.153 0.990 -7.536 1.00 0.00 O ATOM 972 CB GLU A 139 -0.609 3.520 -8.270 1.00 0.00 C ATOM 973 CG GLU A 139 -1.635 4.631 -8.033 1.00 0.00 C ATOM 974 CD GLU A 139 -1.907 5.367 -9.345 1.00 0.00 C ATOM 975 OE1 GLU A 139 -0.965 5.903 -9.907 1.00 0.00 O ATOM 976 OE2 GLU A 139 -3.051 5.385 -9.767 1.00 0.00 O ATOM 0 H GLU A 139 -1.410 4.063 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.375 1.669 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.396 3.942 -8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.782 3.056 -9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.561 4.208 -7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.263 5.329 -7.283 1.00 0.00 H new ATOM 983 N GLU A 140 1.358 2.440 -5.895 1.00 0.00 N ATOM 984 CA GLU A 140 2.720 1.949 -5.552 1.00 0.00 C ATOM 985 C GLU A 140 2.616 1.017 -4.339 1.00 0.00 C ATOM 986 O GLU A 140 3.455 0.167 -4.117 1.00 0.00 O ATOM 987 CB GLU A 140 3.631 3.157 -5.260 1.00 0.00 C ATOM 988 CG GLU A 140 3.740 3.418 -3.756 1.00 0.00 C ATOM 989 CD GLU A 140 4.748 4.540 -3.520 1.00 0.00 C ATOM 990 OE1 GLU A 140 4.701 5.517 -4.249 1.00 0.00 O ATOM 991 OE2 GLU A 140 5.550 4.405 -2.614 1.00 0.00 O ATOM 0 H GLU A 140 1.016 3.204 -5.312 1.00 0.00 H new ATOM 0 HA GLU A 140 3.153 1.390 -6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 140 4.623 2.976 -5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 140 3.236 4.043 -5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 140 2.767 3.694 -3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.056 2.512 -3.238 1.00 0.00 H new ATOM 998 N PHE A 141 1.582 1.177 -3.561 1.00 0.00 N ATOM 999 CA PHE A 141 1.383 0.310 -2.366 1.00 0.00 C ATOM 1000 C PHE A 141 1.163 -1.130 -2.823 1.00 0.00 C ATOM 1001 O PHE A 141 1.625 -2.070 -2.207 1.00 0.00 O ATOM 1002 CB PHE A 141 0.146 0.800 -1.614 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.247 -0.194 -0.549 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.706 -1.060 -0.007 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.567 -0.233 -0.093 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.337 -1.962 0.995 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -1.938 -1.136 0.907 1.00 0.00 C ATOM 1008 CZ PHE A 141 -0.985 -2.001 1.455 1.00 0.00 C ATOM 0 H PHE A 141 0.857 1.880 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 141 2.257 0.353 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.349 1.770 -1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.680 0.942 -2.311 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.726 -1.033 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.302 0.436 -0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.073 -2.631 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.959 -1.166 1.256 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.268 -2.697 2.231 1.00 0.00 H new ATOM 1018 N VAL A 142 0.460 -1.309 -3.909 1.00 0.00 N ATOM 1019 CA VAL A 142 0.205 -2.683 -4.421 1.00 0.00 C ATOM 1020 C VAL A 142 1.515 -3.278 -4.948 1.00 0.00 C ATOM 1021 O VAL A 142 1.573 -4.431 -5.329 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.820 -2.614 -5.556 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.437 -1.494 -6.524 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -0.844 -3.949 -6.306 1.00 0.00 C ATOM 0 H VAL A 142 0.050 -0.558 -4.465 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.181 -3.311 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.807 -2.413 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.167 -1.446 -7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.421 -0.543 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.551 -1.694 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.574 -3.899 -7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.143 -4.151 -6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.119 -4.748 -5.618 1.00 0.00 H new ATOM 1034 N GLN A 143 2.566 -2.502 -4.977 1.00 0.00 N ATOM 1035 CA GLN A 143 3.865 -3.026 -5.482 1.00 0.00 C ATOM 1036 C GLN A 143 4.529 -3.877 -4.400 1.00 0.00 C ATOM 1037 O GLN A 143 5.343 -4.732 -4.685 1.00 0.00 O ATOM 1038 CB GLN A 143 4.782 -1.855 -5.843 1.00 0.00 C ATOM 1039 CG GLN A 143 6.192 -2.379 -6.127 1.00 0.00 C ATOM 1040 CD GLN A 143 7.146 -1.198 -6.318 1.00 0.00 C ATOM 1041 OE1 GLN A 143 8.068 -1.017 -5.548 1.00 0.00 O ATOM 1042 NE2 GLN A 143 6.964 -0.382 -7.319 1.00 0.00 N ATOM 0 H GLN A 143 2.579 -1.529 -4.673 1.00 0.00 H new ATOM 0 HA GLN A 143 3.689 -3.637 -6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.394 -1.332 -6.717 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.808 -1.134 -5.026 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.532 -3.005 -5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.186 -3.004 -7.020 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.190 -0.533 -7.966 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.596 0.407 -7.455 1.00 0.00 H new ATOM 1051 N MET A 144 4.191 -3.652 -3.159 1.00 0.00 N ATOM 1052 CA MET A 144 4.815 -4.462 -2.069 1.00 0.00 C ATOM 1053 C MET A 144 4.104 -5.813 -1.983 1.00 0.00 C ATOM 1054 O MET A 144 4.699 -6.817 -1.645 1.00 0.00 O ATOM 1055 CB MET A 144 4.702 -3.746 -0.712 1.00 0.00 C ATOM 1056 CG MET A 144 4.337 -2.277 -0.913 1.00 0.00 C ATOM 1057 SD MET A 144 5.159 -1.255 0.322 1.00 0.00 S ATOM 1058 CE MET A 144 5.119 0.251 -0.670 1.00 0.00 C ATOM 0 H MET A 144 3.517 -2.950 -2.853 1.00 0.00 H new ATOM 0 HA MET A 144 5.871 -4.599 -2.300 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.945 -4.234 -0.098 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.647 -3.822 -0.174 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.629 -1.956 -1.913 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.257 -2.150 -0.840 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.138 0.580 -0.874 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.607 0.053 -1.612 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.588 1.032 -0.125 1.00 0.00 H new ATOM 1068 N MET A 145 2.833 -5.845 -2.279 1.00 0.00 N ATOM 1069 CA MET A 145 2.084 -7.131 -2.208 1.00 0.00 C ATOM 1070 C MET A 145 2.292 -7.916 -3.504 1.00 0.00 C ATOM 1071 O MET A 145 2.171 -9.125 -3.535 1.00 0.00 O ATOM 1072 CB MET A 145 0.589 -6.853 -2.015 1.00 0.00 C ATOM 1073 CG MET A 145 0.160 -5.671 -2.889 1.00 0.00 C ATOM 1074 SD MET A 145 -1.646 -5.604 -2.958 1.00 0.00 S ATOM 1075 CE MET A 145 -1.930 -5.381 -1.184 1.00 0.00 C ATOM 0 H MET A 145 2.282 -5.037 -2.567 1.00 0.00 H new ATOM 0 HA MET A 145 2.453 -7.714 -1.364 1.00 0.00 H new ATOM 0 HB2 MET A 145 0.009 -7.738 -2.276 1.00 0.00 H new ATOM 0 HB3 MET A 145 0.383 -6.635 -0.967 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.555 -4.740 -2.481 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.570 -5.779 -3.893 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.924 -5.747 -0.926 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.181 -5.939 -0.623 1.00 0.00 H new ATOM 0 HE3 MET A 145 -1.857 -4.323 -0.934 1.00 0.00 H new ATOM 1085 N THR A 146 2.605 -7.240 -4.574 1.00 0.00 N ATOM 1086 CA THR A 146 2.821 -7.949 -5.865 1.00 0.00 C ATOM 1087 C THR A 146 3.753 -7.122 -6.751 1.00 0.00 C ATOM 1088 O THR A 146 3.503 -6.934 -7.925 1.00 0.00 O ATOM 1089 CB THR A 146 1.476 -8.140 -6.573 1.00 0.00 C ATOM 1090 OG1 THR A 146 1.687 -8.796 -7.815 1.00 0.00 O ATOM 1091 CG2 THR A 146 0.829 -6.777 -6.816 1.00 0.00 C ATOM 0 H THR A 146 2.720 -6.227 -4.610 1.00 0.00 H new ATOM 0 HA THR A 146 3.272 -8.923 -5.675 1.00 0.00 H new ATOM 0 HB THR A 146 0.818 -8.745 -5.950 1.00 0.00 H new ATOM 0 HG1 THR A 146 2.302 -8.266 -8.364 1.00 0.00 H new ATOM 0 HG21 THR A 146 -0.128 -6.913 -7.320 1.00 0.00 H new ATOM 0 HG22 THR A 146 0.669 -6.275 -5.862 1.00 0.00 H new ATOM 0 HG23 THR A 146 1.484 -6.169 -7.440 1.00 0.00 H new