USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 477 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 99 TYR OH : rot 180:sc= 0.00836 USER MOD Set 1.2: A 137 ASN : amide:sc= -8.47! C(o=-8.5!,f=-23!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -108:sc= 0.759 (180deg=0) USER MOD Set 2.2: A 107 HIS : no HE2:sc= -2.35! C(o=-1.6!,f=-5.1!) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.999! C(o=-1.9!,f=-1!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0816 USER MOD Single : A 111 ASN : amide:sc= -0.723 K(o=-0.72,f=-3.5!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 124 MET CE :methyl 168:sc= -0.203 (180deg=-0.358) USER MOD Single : A 135 GLN : amide:sc= -3.05! C(o=-3!,f=-5.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 164:sc= -0.0487 (180deg=-0.11) USER MOD Single : A 146 THR OG1 : rot -88:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 106 N GLU A 83 -15.699 -1.777 -0.019 1.00 0.00 N ATOM 107 CA GLU A 83 -15.369 -0.552 0.753 1.00 0.00 C ATOM 108 C GLU A 83 -14.343 -0.908 1.826 1.00 0.00 C ATOM 109 O GLU A 83 -13.725 -0.047 2.419 1.00 0.00 O ATOM 110 CB GLU A 83 -16.638 -0.004 1.411 1.00 0.00 C ATOM 111 CG GLU A 83 -17.429 0.817 0.390 1.00 0.00 C ATOM 112 CD GLU A 83 -18.356 1.787 1.124 1.00 0.00 C ATOM 113 OE1 GLU A 83 -17.859 2.553 1.933 1.00 0.00 O ATOM 114 OE2 GLU A 83 -19.546 1.749 0.862 1.00 0.00 O ATOM 0 HA GLU A 83 -14.958 0.208 0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.250 -0.825 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -16.377 0.616 2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.746 1.368 -0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -18.011 0.156 -0.252 1.00 0.00 H new ATOM 121 N GLU A 84 -14.148 -2.175 2.073 1.00 0.00 N ATOM 122 CA GLU A 84 -13.153 -2.584 3.100 1.00 0.00 C ATOM 123 C GLU A 84 -11.776 -2.058 2.693 1.00 0.00 C ATOM 124 O GLU A 84 -10.871 -1.967 3.498 1.00 0.00 O ATOM 125 CB GLU A 84 -13.110 -4.111 3.191 1.00 0.00 C ATOM 126 CG GLU A 84 -12.856 -4.530 4.639 1.00 0.00 C ATOM 127 CD GLU A 84 -14.065 -4.156 5.498 1.00 0.00 C ATOM 128 OE1 GLU A 84 -14.963 -4.975 5.608 1.00 0.00 O ATOM 129 OE2 GLU A 84 -14.072 -3.059 6.030 1.00 0.00 O ATOM 0 H GLU A 84 -14.634 -2.942 1.608 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.434 -2.174 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.051 -4.533 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.324 -4.502 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.677 -5.604 4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.960 -4.039 5.019 1.00 0.00 H new ATOM 136 N ILE A 85 -11.615 -1.711 1.446 1.00 0.00 N ATOM 137 CA ILE A 85 -10.303 -1.190 0.980 1.00 0.00 C ATOM 138 C ILE A 85 -10.083 0.217 1.534 1.00 0.00 C ATOM 139 O ILE A 85 -8.975 0.607 1.835 1.00 0.00 O ATOM 140 CB ILE A 85 -10.290 -1.142 -0.548 1.00 0.00 C ATOM 141 CG1 ILE A 85 -10.688 -2.509 -1.104 1.00 0.00 C ATOM 142 CG2 ILE A 85 -8.887 -0.782 -1.035 1.00 0.00 C ATOM 143 CD1 ILE A 85 -9.884 -3.593 -0.394 1.00 0.00 C ATOM 0 H ILE A 85 -12.338 -1.767 0.729 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.507 -1.846 1.333 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.998 -0.389 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.755 -2.677 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.503 -2.546 -2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.878 -0.748 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.603 0.193 -0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.178 -1.534 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.164 -4.570 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.820 -3.426 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.092 -3.559 0.675 1.00 0.00 H new ATOM 155 N ARG A 86 -11.128 0.983 1.669 1.00 0.00 N ATOM 156 CA ARG A 86 -10.969 2.364 2.208 1.00 0.00 C ATOM 157 C ARG A 86 -10.164 2.310 3.508 1.00 0.00 C ATOM 158 O ARG A 86 -9.332 3.155 3.769 1.00 0.00 O ATOM 159 CB ARG A 86 -12.349 2.965 2.485 1.00 0.00 C ATOM 160 CG ARG A 86 -12.484 4.306 1.759 1.00 0.00 C ATOM 161 CD ARG A 86 -13.022 5.359 2.729 1.00 0.00 C ATOM 162 NE ARG A 86 -14.310 5.901 2.211 1.00 0.00 N ATOM 163 CZ ARG A 86 -15.266 6.225 3.040 1.00 0.00 C ATOM 164 NH1 ARG A 86 -15.210 7.352 3.695 1.00 0.00 N ATOM 165 NH2 ARG A 86 -16.279 5.420 3.214 1.00 0.00 N ATOM 0 H ARG A 86 -12.083 0.715 1.431 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.444 2.983 1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.128 2.280 2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.486 3.106 3.557 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.516 4.618 1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.156 4.204 0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.171 4.918 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.297 6.165 2.846 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.445 6.019 1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.419 7.982 3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.957 7.604 4.342 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.324 4.539 2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.026 5.673 3.861 1.00 0.00 H new ATOM 179 N GLU A 87 -10.405 1.321 4.326 1.00 0.00 N ATOM 180 CA GLU A 87 -9.649 1.214 5.606 1.00 0.00 C ATOM 181 C GLU A 87 -8.333 0.480 5.352 1.00 0.00 C ATOM 182 O GLU A 87 -7.275 0.951 5.717 1.00 0.00 O ATOM 183 CB GLU A 87 -10.487 0.441 6.629 1.00 0.00 C ATOM 184 CG GLU A 87 -11.927 0.961 6.600 1.00 0.00 C ATOM 185 CD GLU A 87 -12.753 0.243 7.668 1.00 0.00 C ATOM 186 OE1 GLU A 87 -13.305 -0.801 7.359 1.00 0.00 O ATOM 187 OE2 GLU A 87 -12.823 0.749 8.776 1.00 0.00 O ATOM 0 H GLU A 87 -11.091 0.584 4.163 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.438 2.210 5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.468 -0.625 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.065 0.561 7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.940 2.036 6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.364 0.796 5.615 1.00 0.00 H new ATOM 194 N ALA A 88 -8.383 -0.659 4.715 1.00 0.00 N ATOM 195 CA ALA A 88 -7.128 -1.405 4.426 1.00 0.00 C ATOM 196 C ALA A 88 -6.077 -0.423 3.903 1.00 0.00 C ATOM 197 O ALA A 88 -4.889 -0.643 4.026 1.00 0.00 O ATOM 198 CB ALA A 88 -7.403 -2.473 3.366 1.00 0.00 C ATOM 0 H ALA A 88 -9.239 -1.104 4.383 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.765 -1.886 5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.484 -3.020 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.160 -3.165 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.761 -1.996 2.453 1.00 0.00 H new ATOM 204 N PHE A 89 -6.508 0.662 3.323 1.00 0.00 N ATOM 205 CA PHE A 89 -5.546 1.662 2.801 1.00 0.00 C ATOM 206 C PHE A 89 -4.779 2.274 3.965 1.00 0.00 C ATOM 207 O PHE A 89 -3.566 2.240 4.011 1.00 0.00 O ATOM 208 CB PHE A 89 -6.295 2.768 2.065 1.00 0.00 C ATOM 209 CG PHE A 89 -5.309 3.846 1.703 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.410 3.629 0.660 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.283 5.052 2.412 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.479 4.615 0.316 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.354 6.043 2.071 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.452 5.823 1.021 1.00 0.00 C ATOM 0 H PHE A 89 -7.491 0.897 3.189 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.857 1.171 2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.771 2.372 1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.087 3.174 2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.432 2.697 0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.979 5.218 3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.783 4.444 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.333 6.975 2.616 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.736 6.587 0.756 1.00 0.00 H new ATOM 224 N ARG A 90 -5.481 2.835 4.903 1.00 0.00 N ATOM 225 CA ARG A 90 -4.802 3.455 6.071 1.00 0.00 C ATOM 226 C ARG A 90 -4.011 2.381 6.819 1.00 0.00 C ATOM 227 O ARG A 90 -2.995 2.656 7.426 1.00 0.00 O ATOM 228 CB ARG A 90 -5.849 4.072 6.997 1.00 0.00 C ATOM 229 CG ARG A 90 -5.631 5.582 7.073 1.00 0.00 C ATOM 230 CD ARG A 90 -6.577 6.189 8.112 1.00 0.00 C ATOM 231 NE ARG A 90 -6.146 5.780 9.478 1.00 0.00 N ATOM 232 CZ ARG A 90 -6.747 6.276 10.527 1.00 0.00 C ATOM 233 NH1 ARG A 90 -8.041 6.441 10.519 1.00 0.00 N ATOM 234 NH2 ARG A 90 -6.053 6.610 11.580 1.00 0.00 N ATOM 0 H ARG A 90 -6.499 2.892 4.913 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.120 4.236 5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.851 3.856 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.776 3.632 7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.596 5.797 7.340 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.809 6.034 6.097 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.576 7.276 8.029 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.598 5.857 7.927 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.383 5.114 9.594 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.583 6.183 9.694 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.511 6.828 11.337 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.041 6.484 11.585 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.523 6.997 12.399 1.00 0.00 H new ATOM 248 N VAL A 91 -4.459 1.154 6.767 1.00 0.00 N ATOM 249 CA VAL A 91 -3.717 0.066 7.460 1.00 0.00 C ATOM 250 C VAL A 91 -2.239 0.196 7.098 1.00 0.00 C ATOM 251 O VAL A 91 -1.361 -0.040 7.906 1.00 0.00 O ATOM 252 CB VAL A 91 -4.262 -1.286 6.997 1.00 0.00 C ATOM 253 CG1 VAL A 91 -3.307 -2.404 7.410 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.630 -1.524 7.638 1.00 0.00 C ATOM 0 H VAL A 91 -5.304 0.861 6.276 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.838 0.139 8.541 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.357 -1.282 5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.703 -3.363 7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.331 -2.236 6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.204 -2.412 8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.023 -2.487 7.311 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.528 -1.523 8.723 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.315 -0.732 7.337 1.00 0.00 H new ATOM 264 N PHE A 92 -1.963 0.606 5.891 1.00 0.00 N ATOM 265 CA PHE A 92 -0.551 0.800 5.462 1.00 0.00 C ATOM 266 C PHE A 92 -0.171 2.251 5.749 1.00 0.00 C ATOM 267 O PHE A 92 0.931 2.553 6.165 1.00 0.00 O ATOM 268 CB PHE A 92 -0.430 0.525 3.963 1.00 0.00 C ATOM 269 CG PHE A 92 -0.467 -0.964 3.717 1.00 0.00 C ATOM 270 CD1 PHE A 92 -1.695 -1.624 3.593 1.00 0.00 C ATOM 271 CD2 PHE A 92 0.728 -1.685 3.613 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.729 -3.004 3.364 1.00 0.00 C ATOM 273 CE2 PHE A 92 0.696 -3.066 3.384 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.533 -3.725 3.260 1.00 0.00 C ATOM 0 H PHE A 92 -2.662 0.816 5.178 1.00 0.00 H new ATOM 0 HA PHE A 92 0.110 0.119 5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.244 1.013 3.427 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.500 0.944 3.580 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.617 -1.068 3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.676 -1.176 3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.677 -3.513 3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.618 -3.622 3.303 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.559 -4.790 3.084 1.00 0.00 H new ATOM 284 N ASP A 93 -1.095 3.149 5.540 1.00 0.00 N ATOM 285 CA ASP A 93 -0.836 4.588 5.804 1.00 0.00 C ATOM 286 C ASP A 93 -1.215 4.895 7.256 1.00 0.00 C ATOM 287 O ASP A 93 -2.344 5.229 7.554 1.00 0.00 O ATOM 288 CB ASP A 93 -1.702 5.424 4.860 1.00 0.00 C ATOM 289 CG ASP A 93 -1.206 6.871 4.850 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.234 7.148 5.531 1.00 0.00 O ATOM 291 OD2 ASP A 93 -1.808 7.677 4.160 1.00 0.00 O ATOM 0 H ASP A 93 -2.031 2.941 5.192 1.00 0.00 H new ATOM 0 HA ASP A 93 0.216 4.824 5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.663 5.009 3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.744 5.389 5.180 1.00 0.00 H new ATOM 296 N LYS A 94 -0.287 4.763 8.163 1.00 0.00 N ATOM 297 CA LYS A 94 -0.604 5.026 9.593 1.00 0.00 C ATOM 298 C LYS A 94 -0.629 6.525 9.867 1.00 0.00 C ATOM 299 O LYS A 94 -1.285 6.985 10.781 1.00 0.00 O ATOM 300 CB LYS A 94 0.453 4.364 10.472 1.00 0.00 C ATOM 301 CG LYS A 94 0.448 2.853 10.234 1.00 0.00 C ATOM 302 CD LYS A 94 -0.946 2.293 10.521 1.00 0.00 C ATOM 303 CE LYS A 94 -0.849 0.789 10.782 1.00 0.00 C ATOM 304 NZ LYS A 94 -0.628 0.549 12.237 1.00 0.00 N ATOM 0 H LYS A 94 0.676 4.485 7.975 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.587 4.614 9.820 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.437 4.774 10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.252 4.577 11.522 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.733 2.636 9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.184 2.371 10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.380 2.795 11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.607 2.484 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.763 0.293 10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.030 0.361 10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.350 0.231 12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.792 1.431 12.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.287 -0.182 12.572 1.00 0.00 H new ATOM 318 N ASP A 95 0.067 7.294 9.086 1.00 0.00 N ATOM 319 CA ASP A 95 0.066 8.765 9.316 1.00 0.00 C ATOM 320 C ASP A 95 -1.211 9.369 8.727 1.00 0.00 C ATOM 321 O ASP A 95 -1.374 10.573 8.690 1.00 0.00 O ATOM 322 CB ASP A 95 1.286 9.395 8.644 1.00 0.00 C ATOM 323 CG ASP A 95 2.408 9.548 9.671 1.00 0.00 C ATOM 324 OD1 ASP A 95 2.543 8.670 10.508 1.00 0.00 O ATOM 325 OD2 ASP A 95 3.112 10.542 9.606 1.00 0.00 O ATOM 0 H ASP A 95 0.635 6.973 8.302 1.00 0.00 H new ATOM 0 HA ASP A 95 0.105 8.963 10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.620 8.772 7.814 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.024 10.368 8.227 1.00 0.00 H new ATOM 330 N GLY A 96 -2.121 8.543 8.274 1.00 0.00 N ATOM 331 CA GLY A 96 -3.391 9.072 7.691 1.00 0.00 C ATOM 332 C GLY A 96 -3.094 10.308 6.839 1.00 0.00 C ATOM 333 O GLY A 96 -3.839 11.269 6.841 1.00 0.00 O ATOM 0 H GLY A 96 -2.039 7.526 8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.869 8.305 7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.089 9.327 8.488 1.00 0.00 H new ATOM 337 N ASN A 97 -2.010 10.295 6.113 1.00 0.00 N ATOM 338 CA ASN A 97 -1.665 11.471 5.266 1.00 0.00 C ATOM 339 C ASN A 97 -2.332 11.326 3.894 1.00 0.00 C ATOM 340 O ASN A 97 -2.209 12.184 3.043 1.00 0.00 O ATOM 341 CB ASN A 97 -0.144 11.539 5.099 1.00 0.00 C ATOM 342 CG ASN A 97 0.207 12.482 3.950 1.00 0.00 C ATOM 343 OD1 ASN A 97 0.462 11.983 2.773 1.00 0.00 O flip ATOM 344 ND2 ASN A 97 0.247 13.684 4.123 1.00 0.00 N flip ATOM 0 H ASN A 97 -1.348 9.520 6.070 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.020 12.386 5.741 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.317 11.888 6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.254 10.544 4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.047 14.074 5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.480 14.303 3.347 1.00 0.00 H new ATOM 351 N GLY A 98 -3.034 10.249 3.673 1.00 0.00 N ATOM 352 CA GLY A 98 -3.705 10.055 2.356 1.00 0.00 C ATOM 353 C GLY A 98 -2.745 9.355 1.392 1.00 0.00 C ATOM 354 O GLY A 98 -3.158 8.743 0.427 1.00 0.00 O ATOM 0 H GLY A 98 -3.172 9.495 4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.610 9.460 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.011 11.018 1.946 1.00 0.00 H new ATOM 358 N TYR A 99 -1.468 9.438 1.647 1.00 0.00 N ATOM 359 CA TYR A 99 -0.485 8.776 0.749 1.00 0.00 C ATOM 360 C TYR A 99 0.408 7.845 1.572 1.00 0.00 C ATOM 361 O TYR A 99 0.727 8.119 2.711 1.00 0.00 O ATOM 362 CB TYR A 99 0.381 9.830 0.061 1.00 0.00 C ATOM 363 CG TYR A 99 -0.104 10.053 -1.355 1.00 0.00 C ATOM 364 CD1 TYR A 99 -1.472 10.216 -1.620 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.819 10.109 -2.404 1.00 0.00 C ATOM 366 CE1 TYR A 99 -1.909 10.434 -2.930 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.380 10.322 -3.715 1.00 0.00 C ATOM 368 CZ TYR A 99 -0.984 10.485 -3.979 1.00 0.00 C ATOM 369 OH TYR A 99 -1.417 10.698 -5.272 1.00 0.00 O ATOM 0 H TYR A 99 -1.064 9.937 2.440 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.020 8.200 -0.007 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.342 10.765 0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.422 9.507 0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.187 10.173 -0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.873 9.988 -2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.962 10.563 -3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.095 10.361 -4.524 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.647 10.706 -5.878 1.00 0.00 H new ATOM 379 N ILE A 100 0.809 6.744 1.001 1.00 0.00 N ATOM 380 CA ILE A 100 1.673 5.785 1.735 1.00 0.00 C ATOM 381 C ILE A 100 3.118 5.922 1.251 1.00 0.00 C ATOM 382 O ILE A 100 3.484 5.417 0.208 1.00 0.00 O ATOM 383 CB ILE A 100 1.168 4.372 1.456 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.242 4.224 2.042 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.103 3.349 2.105 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.913 2.966 1.491 1.00 0.00 C ATOM 0 H ILE A 100 0.572 6.467 0.048 1.00 0.00 H new ATOM 0 HA ILE A 100 1.639 5.990 2.805 1.00 0.00 H new ATOM 0 HB ILE A 100 1.143 4.197 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.188 4.170 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.840 5.101 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.738 2.342 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.106 3.460 1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.132 3.515 3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.913 2.872 1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.984 3.037 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.322 2.091 1.760 1.00 0.00 H new ATOM 398 N SER A 101 3.945 6.599 1.999 1.00 0.00 N ATOM 399 CA SER A 101 5.364 6.761 1.579 1.00 0.00 C ATOM 400 C SER A 101 6.101 5.436 1.774 1.00 0.00 C ATOM 401 O SER A 101 5.528 4.454 2.203 1.00 0.00 O ATOM 402 CB SER A 101 6.030 7.848 2.425 1.00 0.00 C ATOM 403 OG SER A 101 6.544 7.265 3.615 1.00 0.00 O ATOM 0 H SER A 101 3.699 7.046 2.882 1.00 0.00 H new ATOM 0 HA SER A 101 5.403 7.050 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.834 8.322 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.309 8.628 2.670 1.00 0.00 H new ATOM 0 HG SER A 101 6.973 7.958 4.160 1.00 0.00 H new ATOM 409 N ALA A 102 7.368 5.397 1.463 1.00 0.00 N ATOM 410 CA ALA A 102 8.134 4.132 1.633 1.00 0.00 C ATOM 411 C ALA A 102 8.204 3.772 3.115 1.00 0.00 C ATOM 412 O ALA A 102 8.121 2.621 3.487 1.00 0.00 O ATOM 413 CB ALA A 102 9.551 4.312 1.087 1.00 0.00 C ATOM 0 H ALA A 102 7.904 6.185 1.099 1.00 0.00 H new ATOM 0 HA ALA A 102 7.634 3.332 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.110 3.385 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.503 4.566 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.051 5.113 1.631 1.00 0.00 H new ATOM 419 N ALA A 103 8.355 4.748 3.966 1.00 0.00 N ATOM 420 CA ALA A 103 8.427 4.460 5.419 1.00 0.00 C ATOM 421 C ALA A 103 7.063 3.975 5.905 1.00 0.00 C ATOM 422 O ALA A 103 6.962 3.220 6.852 1.00 0.00 O ATOM 423 CB ALA A 103 8.824 5.730 6.176 1.00 0.00 C ATOM 0 H ALA A 103 8.431 5.733 3.714 1.00 0.00 H new ATOM 0 HA ALA A 103 9.174 3.687 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.876 5.516 7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.798 6.072 5.826 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.081 6.507 5.998 1.00 0.00 H new ATOM 429 N GLU A 104 6.011 4.395 5.259 1.00 0.00 N ATOM 430 CA GLU A 104 4.654 3.948 5.681 1.00 0.00 C ATOM 431 C GLU A 104 4.462 2.484 5.281 1.00 0.00 C ATOM 432 O GLU A 104 3.773 1.733 5.942 1.00 0.00 O ATOM 433 CB GLU A 104 3.593 4.808 4.994 1.00 0.00 C ATOM 434 CG GLU A 104 3.724 6.255 5.470 1.00 0.00 C ATOM 435 CD GLU A 104 2.864 6.461 6.718 1.00 0.00 C ATOM 436 OE1 GLU A 104 3.253 5.979 7.768 1.00 0.00 O ATOM 437 OE2 GLU A 104 1.830 7.096 6.600 1.00 0.00 O ATOM 0 H GLU A 104 6.032 5.027 4.459 1.00 0.00 H new ATOM 0 HA GLU A 104 4.555 4.051 6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.713 4.758 3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.597 4.427 5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.766 6.483 5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.409 6.938 4.681 1.00 0.00 H new ATOM 444 N LEU A 105 5.072 2.072 4.201 1.00 0.00 N ATOM 445 CA LEU A 105 4.929 0.657 3.759 1.00 0.00 C ATOM 446 C LEU A 105 5.922 -0.216 4.528 1.00 0.00 C ATOM 447 O LEU A 105 5.696 -1.389 4.743 1.00 0.00 O ATOM 448 CB LEU A 105 5.219 0.564 2.259 1.00 0.00 C ATOM 449 CG LEU A 105 4.783 -0.805 1.738 1.00 0.00 C ATOM 450 CD1 LEU A 105 3.257 -0.854 1.643 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.387 -1.037 0.352 1.00 0.00 C ATOM 0 H LEU A 105 5.662 2.655 3.607 1.00 0.00 H new ATOM 0 HA LEU A 105 3.914 0.311 3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.689 1.353 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.283 0.713 2.074 1.00 0.00 H new ATOM 0 HG LEU A 105 5.129 -1.581 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.947 -1.831 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.825 -0.688 2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.910 -0.079 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.077 -2.013 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.041 -0.261 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.474 -1.003 0.419 1.00 0.00 H new ATOM 463 N ARG A 106 7.018 0.353 4.952 1.00 0.00 N ATOM 464 CA ARG A 106 8.026 -0.437 5.713 1.00 0.00 C ATOM 465 C ARG A 106 7.408 -0.874 7.046 1.00 0.00 C ATOM 466 O ARG A 106 7.882 -1.785 7.694 1.00 0.00 O ATOM 467 CB ARG A 106 9.266 0.443 5.949 1.00 0.00 C ATOM 468 CG ARG A 106 9.986 0.029 7.238 1.00 0.00 C ATOM 469 CD ARG A 106 11.143 0.994 7.511 1.00 0.00 C ATOM 470 NE ARG A 106 12.336 0.222 7.963 1.00 0.00 N ATOM 471 CZ ARG A 106 13.263 0.807 8.673 1.00 0.00 C ATOM 472 NH1 ARG A 106 12.939 1.480 9.744 1.00 0.00 N ATOM 473 NH2 ARG A 106 14.515 0.713 8.314 1.00 0.00 N ATOM 0 H ARG A 106 7.259 1.333 4.803 1.00 0.00 H new ATOM 0 HA ARG A 106 8.324 -1.325 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.947 0.356 5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.969 1.490 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.288 0.036 8.075 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.363 -0.990 7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.381 1.558 6.609 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.855 1.718 8.273 1.00 0.00 H new ATOM 0 HE ARG A 106 12.428 -0.764 7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.961 1.549 10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.664 1.937 10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.768 0.183 7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.240 1.169 8.868 1.00 0.00 H new ATOM 487 N HIS A 107 6.355 -0.224 7.455 1.00 0.00 N ATOM 488 CA HIS A 107 5.699 -0.586 8.742 1.00 0.00 C ATOM 489 C HIS A 107 4.752 -1.771 8.530 1.00 0.00 C ATOM 490 O HIS A 107 4.585 -2.605 9.398 1.00 0.00 O ATOM 491 CB HIS A 107 4.906 0.620 9.256 1.00 0.00 C ATOM 492 CG HIS A 107 3.988 0.193 10.369 1.00 0.00 C ATOM 493 ND1 HIS A 107 4.457 -0.410 11.524 1.00 0.00 N ATOM 494 CD2 HIS A 107 2.624 0.274 10.516 1.00 0.00 C ATOM 495 CE1 HIS A 107 3.394 -0.664 12.310 1.00 0.00 C ATOM 496 NE2 HIS A 107 2.252 -0.268 11.742 1.00 0.00 N ATOM 0 H HIS A 107 5.918 0.547 6.950 1.00 0.00 H new ATOM 0 HA HIS A 107 6.459 -0.866 9.471 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.590 1.391 9.612 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.327 1.059 8.443 1.00 0.00 H new ATOM 0 HD1 HIS A 107 5.431 -0.623 11.740 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.944 0.695 9.790 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.457 -1.131 13.282 1.00 0.00 H new ATOM 504 N VAL A 108 4.119 -1.850 7.390 1.00 0.00 N ATOM 505 CA VAL A 108 3.178 -2.973 7.140 1.00 0.00 C ATOM 506 C VAL A 108 3.589 -3.734 5.879 1.00 0.00 C ATOM 507 O VAL A 108 2.774 -4.353 5.225 1.00 0.00 O ATOM 508 CB VAL A 108 1.772 -2.407 6.958 1.00 0.00 C ATOM 509 CG1 VAL A 108 0.789 -3.547 6.682 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.353 -1.671 8.233 1.00 0.00 C ATOM 0 H VAL A 108 4.215 -1.184 6.623 1.00 0.00 H new ATOM 0 HA VAL A 108 3.199 -3.659 7.987 1.00 0.00 H new ATOM 0 HB VAL A 108 1.767 -1.715 6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.214 -3.140 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.087 -4.073 5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.793 -4.242 7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.349 -1.266 8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.360 -2.365 9.073 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.051 -0.857 8.429 1.00 0.00 H new ATOM 520 N MET A 109 4.846 -3.703 5.533 1.00 0.00 N ATOM 521 CA MET A 109 5.291 -4.439 4.319 1.00 0.00 C ATOM 522 C MET A 109 5.243 -5.940 4.607 1.00 0.00 C ATOM 523 O MET A 109 5.180 -6.755 3.709 1.00 0.00 O ATOM 524 CB MET A 109 6.723 -4.031 3.958 1.00 0.00 C ATOM 525 CG MET A 109 7.688 -4.513 5.043 1.00 0.00 C ATOM 526 SD MET A 109 9.266 -3.641 4.874 1.00 0.00 S ATOM 527 CE MET A 109 10.317 -4.923 5.601 1.00 0.00 C ATOM 0 H MET A 109 5.580 -3.203 6.035 1.00 0.00 H new ATOM 0 HA MET A 109 4.634 -4.199 3.483 1.00 0.00 H new ATOM 0 HB2 MET A 109 7.001 -4.459 2.995 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.788 -2.948 3.856 1.00 0.00 H new ATOM 0 HG2 MET A 109 7.263 -4.331 6.030 1.00 0.00 H new ATOM 0 HG3 MET A 109 7.843 -5.588 4.956 1.00 0.00 H new ATOM 0 HE1 MET A 109 11.354 -4.588 5.597 1.00 0.00 H new ATOM 0 HE2 MET A 109 10.001 -5.114 6.626 1.00 0.00 H new ATOM 0 HE3 MET A 109 10.229 -5.839 5.017 1.00 0.00 H new ATOM 537 N THR A 110 5.275 -6.308 5.859 1.00 0.00 N ATOM 538 CA THR A 110 5.238 -7.739 6.219 1.00 0.00 C ATOM 539 C THR A 110 3.788 -8.208 6.371 1.00 0.00 C ATOM 540 O THR A 110 3.531 -9.387 6.520 1.00 0.00 O ATOM 541 CB THR A 110 5.961 -7.914 7.546 1.00 0.00 C ATOM 542 OG1 THR A 110 6.493 -6.664 7.963 1.00 0.00 O ATOM 543 CG2 THR A 110 7.092 -8.919 7.378 1.00 0.00 C ATOM 0 H THR A 110 5.326 -5.666 6.650 1.00 0.00 H new ATOM 0 HA THR A 110 5.718 -8.328 5.437 1.00 0.00 H new ATOM 0 HB THR A 110 5.261 -8.279 8.298 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.958 -6.775 8.819 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.611 -9.045 8.328 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.683 -9.877 7.058 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.793 -8.555 6.627 1.00 0.00 H new ATOM 551 N ASN A 111 2.842 -7.298 6.346 1.00 0.00 N ATOM 552 CA ASN A 111 1.406 -7.695 6.494 1.00 0.00 C ATOM 553 C ASN A 111 1.167 -9.032 5.788 1.00 0.00 C ATOM 554 O ASN A 111 0.566 -9.937 6.333 1.00 0.00 O ATOM 555 CB ASN A 111 0.511 -6.623 5.864 1.00 0.00 C ATOM 556 CG ASN A 111 -0.738 -6.433 6.726 1.00 0.00 C ATOM 557 OD1 ASN A 111 -0.917 -7.113 7.717 1.00 0.00 O ATOM 558 ND2 ASN A 111 -1.619 -5.532 6.386 1.00 0.00 N ATOM 0 H ASN A 111 3.003 -6.298 6.229 1.00 0.00 H new ATOM 0 HA ASN A 111 1.167 -7.795 7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.055 -5.682 5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.228 -6.918 4.854 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.457 -5.399 6.952 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.469 -4.961 5.554 1.00 0.00 H new ATOM 565 N LEU A 112 1.652 -9.164 4.587 1.00 0.00 N ATOM 566 CA LEU A 112 1.480 -10.440 3.839 1.00 0.00 C ATOM 567 C LEU A 112 2.032 -10.268 2.425 1.00 0.00 C ATOM 568 O LEU A 112 1.513 -10.814 1.471 1.00 0.00 O ATOM 569 CB LEU A 112 -0.001 -10.817 3.775 1.00 0.00 C ATOM 570 CG LEU A 112 -0.825 -9.606 3.333 1.00 0.00 C ATOM 571 CD1 LEU A 112 -1.326 -9.825 1.904 1.00 0.00 C ATOM 572 CD2 LEU A 112 -2.023 -9.439 4.271 1.00 0.00 C ATOM 0 H LEU A 112 2.164 -8.437 4.087 1.00 0.00 H new ATOM 0 HA LEU A 112 2.021 -11.236 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.146 -11.642 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.340 -11.163 4.751 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.205 -8.710 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.913 -8.963 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.475 -9.949 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.948 -10.720 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.612 -8.577 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.643 -10.335 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.668 -9.286 5.290 1.00 0.00 H new ATOM 584 N GLY A 113 3.088 -9.517 2.287 1.00 0.00 N ATOM 585 CA GLY A 113 3.689 -9.310 0.939 1.00 0.00 C ATOM 586 C GLY A 113 5.094 -9.905 0.932 1.00 0.00 C ATOM 587 O GLY A 113 6.001 -9.378 0.318 1.00 0.00 O ATOM 0 H GLY A 113 3.563 -9.036 3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.074 -9.785 0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.728 -8.247 0.702 1.00 0.00 H new ATOM 591 N GLU A 114 5.281 -10.998 1.617 1.00 0.00 N ATOM 592 CA GLU A 114 6.628 -11.629 1.662 1.00 0.00 C ATOM 593 C GLU A 114 7.552 -10.773 2.529 1.00 0.00 C ATOM 594 O GLU A 114 7.102 -9.972 3.325 1.00 0.00 O ATOM 595 CB GLU A 114 7.197 -11.727 0.244 1.00 0.00 C ATOM 596 CG GLU A 114 6.101 -12.197 -0.717 1.00 0.00 C ATOM 597 CD GLU A 114 6.709 -12.484 -2.091 1.00 0.00 C ATOM 598 OE1 GLU A 114 7.918 -12.625 -2.165 1.00 0.00 O ATOM 599 OE2 GLU A 114 5.955 -12.557 -3.046 1.00 0.00 O ATOM 0 H GLU A 114 4.557 -11.482 2.148 1.00 0.00 H new ATOM 0 HA GLU A 114 6.551 -12.630 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.581 -10.757 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.035 -12.424 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.621 -13.094 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.327 -11.434 -0.803 1.00 0.00 H new ATOM 606 N LYS A 115 8.839 -10.932 2.388 1.00 0.00 N ATOM 607 CA LYS A 115 9.780 -10.126 3.215 1.00 0.00 C ATOM 608 C LYS A 115 10.693 -9.303 2.303 1.00 0.00 C ATOM 609 O LYS A 115 11.754 -9.742 1.906 1.00 0.00 O ATOM 610 CB LYS A 115 10.617 -11.067 4.080 1.00 0.00 C ATOM 611 CG LYS A 115 9.686 -11.884 4.978 1.00 0.00 C ATOM 612 CD LYS A 115 10.509 -12.632 6.026 1.00 0.00 C ATOM 613 CE LYS A 115 11.366 -13.695 5.339 1.00 0.00 C ATOM 614 NZ LYS A 115 12.603 -13.924 6.136 1.00 0.00 N ATOM 0 H LYS A 115 9.279 -11.583 1.738 1.00 0.00 H new ATOM 0 HA LYS A 115 9.218 -9.447 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.209 -11.731 3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.319 -10.495 4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.967 -11.227 5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.114 -12.591 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.145 -11.934 6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.849 -13.099 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.805 -14.624 5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.624 -13.373 4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.187 -14.647 5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.141 -13.036 6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.346 -14.249 7.090 1.00 0.00 H new ATOM 628 N LEU A 116 10.282 -8.111 1.965 1.00 0.00 N ATOM 629 CA LEU A 116 11.111 -7.252 1.078 1.00 0.00 C ATOM 630 C LEU A 116 12.159 -6.505 1.907 1.00 0.00 C ATOM 631 O LEU A 116 12.134 -6.520 3.122 1.00 0.00 O ATOM 632 CB LEU A 116 10.203 -6.244 0.373 1.00 0.00 C ATOM 633 CG LEU A 116 9.268 -5.586 1.393 1.00 0.00 C ATOM 634 CD1 LEU A 116 9.089 -4.105 1.048 1.00 0.00 C ATOM 635 CD2 LEU A 116 7.902 -6.278 1.357 1.00 0.00 C ATOM 0 H LEU A 116 9.402 -7.695 2.268 1.00 0.00 H new ATOM 0 HA LEU A 116 11.620 -7.873 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 116 10.805 -5.484 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.619 -6.745 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 116 9.702 -5.680 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.424 -3.640 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.058 -3.606 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.658 -4.013 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.237 -5.809 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.473 -6.185 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.022 -7.333 1.603 1.00 0.00 H new ATOM 647 N THR A 117 13.082 -5.849 1.253 1.00 0.00 N ATOM 648 CA THR A 117 14.137 -5.095 1.991 1.00 0.00 C ATOM 649 C THR A 117 13.938 -3.591 1.766 1.00 0.00 C ATOM 650 O THR A 117 12.851 -3.140 1.468 1.00 0.00 O ATOM 651 CB THR A 117 15.515 -5.528 1.481 1.00 0.00 C ATOM 652 OG1 THR A 117 16.512 -5.137 2.414 1.00 0.00 O ATOM 653 CG2 THR A 117 15.786 -4.871 0.130 1.00 0.00 C ATOM 0 H THR A 117 13.150 -5.803 0.236 1.00 0.00 H new ATOM 0 HA THR A 117 14.068 -5.306 3.058 1.00 0.00 H new ATOM 0 HB THR A 117 15.537 -6.612 1.366 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.393 -5.416 2.088 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.766 -5.178 -0.234 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.021 -5.178 -0.584 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.764 -3.787 0.242 1.00 0.00 H new ATOM 661 N ASP A 118 14.975 -2.809 1.904 1.00 0.00 N ATOM 662 CA ASP A 118 14.833 -1.338 1.696 1.00 0.00 C ATOM 663 C ASP A 118 14.959 -1.014 0.206 1.00 0.00 C ATOM 664 O ASP A 118 14.064 -0.455 -0.396 1.00 0.00 O ATOM 665 CB ASP A 118 15.926 -0.605 2.470 1.00 0.00 C ATOM 666 CG ASP A 118 15.425 -0.274 3.878 1.00 0.00 C ATOM 667 OD1 ASP A 118 14.484 0.494 3.986 1.00 0.00 O ATOM 668 OD2 ASP A 118 15.992 -0.796 4.824 1.00 0.00 O ATOM 0 H ASP A 118 15.913 -3.124 2.151 1.00 0.00 H new ATOM 0 HA ASP A 118 13.855 -1.016 2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 118 16.822 -1.224 2.528 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.204 0.310 1.948 1.00 0.00 H new ATOM 673 N GLU A 119 16.065 -1.361 -0.396 1.00 0.00 N ATOM 674 CA GLU A 119 16.243 -1.069 -1.847 1.00 0.00 C ATOM 675 C GLU A 119 15.076 -1.659 -2.636 1.00 0.00 C ATOM 676 O GLU A 119 14.819 -1.281 -3.762 1.00 0.00 O ATOM 677 CB GLU A 119 17.551 -1.693 -2.339 1.00 0.00 C ATOM 678 CG GLU A 119 18.720 -1.161 -1.508 1.00 0.00 C ATOM 679 CD GLU A 119 19.698 -0.418 -2.421 1.00 0.00 C ATOM 680 OE1 GLU A 119 19.253 0.107 -3.429 1.00 0.00 O ATOM 681 OE2 GLU A 119 20.873 -0.388 -2.097 1.00 0.00 O ATOM 0 H GLU A 119 16.850 -1.832 0.053 1.00 0.00 H new ATOM 0 HA GLU A 119 16.274 0.011 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.500 -2.779 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.704 -1.458 -3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 119 18.352 -0.492 -0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 119 19.228 -1.985 -1.006 1.00 0.00 H new ATOM 688 N GLU A 120 14.372 -2.588 -2.056 1.00 0.00 N ATOM 689 CA GLU A 120 13.226 -3.211 -2.771 1.00 0.00 C ATOM 690 C GLU A 120 11.940 -2.440 -2.459 1.00 0.00 C ATOM 691 O GLU A 120 11.089 -2.283 -3.304 1.00 0.00 O ATOM 692 CB GLU A 120 13.077 -4.666 -2.320 1.00 0.00 C ATOM 693 CG GLU A 120 11.710 -5.198 -2.752 1.00 0.00 C ATOM 694 CD GLU A 120 11.848 -6.645 -3.230 1.00 0.00 C ATOM 695 OE1 GLU A 120 12.100 -7.501 -2.398 1.00 0.00 O ATOM 696 OE2 GLU A 120 11.700 -6.872 -4.419 1.00 0.00 O ATOM 0 H GLU A 120 14.541 -2.944 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 120 13.409 -3.180 -3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 120 13.870 -5.275 -2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.180 -4.734 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.009 -5.145 -1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.304 -4.578 -3.551 1.00 0.00 H new ATOM 703 N VAL A 121 11.791 -1.971 -1.251 1.00 0.00 N ATOM 704 CA VAL A 121 10.554 -1.217 -0.882 1.00 0.00 C ATOM 705 C VAL A 121 10.164 -0.260 -2.018 1.00 0.00 C ATOM 706 O VAL A 121 9.044 -0.272 -2.489 1.00 0.00 O ATOM 707 CB VAL A 121 10.812 -0.425 0.413 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.873 0.784 0.498 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.559 -1.333 1.618 1.00 0.00 C ATOM 0 H VAL A 121 12.473 -2.076 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 121 9.734 -1.917 -0.721 1.00 0.00 H new ATOM 0 HB VAL A 121 11.845 -0.076 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.069 1.333 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.044 1.438 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.838 0.442 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.740 -0.776 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.526 -1.680 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.230 -2.191 1.575 1.00 0.00 H new ATOM 719 N ASP A 122 11.066 0.576 -2.449 1.00 0.00 N ATOM 720 CA ASP A 122 10.731 1.532 -3.541 1.00 0.00 C ATOM 721 C ASP A 122 10.304 0.762 -4.790 1.00 0.00 C ATOM 722 O ASP A 122 9.418 1.175 -5.503 1.00 0.00 O ATOM 723 CB ASP A 122 11.955 2.392 -3.862 1.00 0.00 C ATOM 724 CG ASP A 122 11.553 3.869 -3.884 1.00 0.00 C ATOM 725 OD1 ASP A 122 10.647 4.205 -4.629 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.157 4.639 -3.155 1.00 0.00 O ATOM 0 H ASP A 122 12.020 0.639 -2.093 1.00 0.00 H new ATOM 0 HA ASP A 122 9.911 2.174 -3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.733 2.228 -3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.372 2.104 -4.827 1.00 0.00 H new ATOM 731 N GLU A 123 10.925 -0.352 -5.064 1.00 0.00 N ATOM 732 CA GLU A 123 10.538 -1.137 -6.272 1.00 0.00 C ATOM 733 C GLU A 123 9.176 -1.798 -6.034 1.00 0.00 C ATOM 734 O GLU A 123 8.491 -2.184 -6.961 1.00 0.00 O ATOM 735 CB GLU A 123 11.591 -2.211 -6.548 1.00 0.00 C ATOM 736 CG GLU A 123 12.431 -1.801 -7.760 1.00 0.00 C ATOM 737 CD GLU A 123 13.584 -2.789 -7.943 1.00 0.00 C ATOM 738 OE1 GLU A 123 14.530 -2.714 -7.176 1.00 0.00 O ATOM 739 OE2 GLU A 123 13.503 -3.603 -8.848 1.00 0.00 O ATOM 0 H GLU A 123 11.680 -0.752 -4.507 1.00 0.00 H new ATOM 0 HA GLU A 123 10.473 -0.471 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.231 -2.341 -5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.108 -3.170 -6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 123 11.810 -1.781 -8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.821 -0.793 -7.620 1.00 0.00 H new ATOM 746 N MET A 124 8.770 -1.919 -4.797 1.00 0.00 N ATOM 747 CA MET A 124 7.447 -2.538 -4.501 1.00 0.00 C ATOM 748 C MET A 124 6.376 -1.453 -4.589 1.00 0.00 C ATOM 749 O MET A 124 5.212 -1.723 -4.812 1.00 0.00 O ATOM 750 CB MET A 124 7.462 -3.139 -3.095 1.00 0.00 C ATOM 751 CG MET A 124 8.396 -4.350 -3.070 1.00 0.00 C ATOM 752 SD MET A 124 7.582 -5.755 -3.871 1.00 0.00 S ATOM 753 CE MET A 124 7.076 -6.618 -2.362 1.00 0.00 C ATOM 0 H MET A 124 9.299 -1.615 -3.979 1.00 0.00 H new ATOM 0 HA MET A 124 7.235 -3.331 -5.218 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.795 -2.394 -2.373 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.455 -3.437 -2.804 1.00 0.00 H new ATOM 0 HG2 MET A 124 9.328 -4.115 -3.584 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.654 -4.603 -2.042 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.370 -7.409 -2.615 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.952 -7.053 -1.881 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.601 -5.912 -1.681 1.00 0.00 H new ATOM 763 N ILE A 125 6.773 -0.223 -4.421 1.00 0.00 N ATOM 764 CA ILE A 125 5.810 0.900 -4.498 1.00 0.00 C ATOM 765 C ILE A 125 5.623 1.302 -5.963 1.00 0.00 C ATOM 766 O ILE A 125 4.530 1.574 -6.415 1.00 0.00 O ATOM 767 CB ILE A 125 6.369 2.085 -3.707 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.214 1.807 -2.208 1.00 0.00 C ATOM 769 CG2 ILE A 125 5.599 3.359 -4.071 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.460 3.093 -1.415 1.00 0.00 C ATOM 0 H ILE A 125 7.737 0.051 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 125 4.849 0.600 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 125 7.423 2.220 -3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.214 1.427 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.919 1.036 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.000 4.200 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.704 3.555 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.544 3.229 -3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.349 2.891 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.469 3.455 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.737 3.851 -1.718 1.00 0.00 H new ATOM 782 N ARG A 126 6.695 1.343 -6.699 1.00 0.00 N ATOM 783 CA ARG A 126 6.623 1.730 -8.138 1.00 0.00 C ATOM 784 C ARG A 126 5.746 0.738 -8.908 1.00 0.00 C ATOM 785 O ARG A 126 5.261 1.033 -9.982 1.00 0.00 O ATOM 786 CB ARG A 126 8.032 1.725 -8.733 1.00 0.00 C ATOM 787 CG ARG A 126 8.770 2.998 -8.310 1.00 0.00 C ATOM 788 CD ARG A 126 10.277 2.788 -8.470 1.00 0.00 C ATOM 789 NE ARG A 126 10.670 3.060 -9.882 1.00 0.00 N ATOM 790 CZ ARG A 126 11.847 2.695 -10.313 1.00 0.00 C ATOM 791 NH1 ARG A 126 12.178 1.433 -10.320 1.00 0.00 N ATOM 792 NH2 ARG A 126 12.693 3.593 -10.735 1.00 0.00 N ATOM 0 H ARG A 126 7.632 1.122 -6.363 1.00 0.00 H new ATOM 0 HA ARG A 126 6.189 2.726 -8.218 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.579 0.845 -8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 126 7.979 1.667 -9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.442 3.841 -8.919 1.00 0.00 H new ATOM 0 HG3 ARG A 126 8.533 3.242 -7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.821 3.450 -7.796 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.544 1.767 -8.197 1.00 0.00 H new ATOM 0 HE ARG A 126 10.020 3.531 -10.511 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.517 0.731 -9.989 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.098 1.149 -10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.435 4.580 -10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.613 3.309 -11.072 1.00 0.00 H new ATOM 806 N GLU A 127 5.535 -0.434 -8.372 1.00 0.00 N ATOM 807 CA GLU A 127 4.687 -1.431 -9.085 1.00 0.00 C ATOM 808 C GLU A 127 3.229 -1.231 -8.675 1.00 0.00 C ATOM 809 O GLU A 127 2.318 -1.457 -9.446 1.00 0.00 O ATOM 810 CB GLU A 127 5.131 -2.844 -8.712 1.00 0.00 C ATOM 811 CG GLU A 127 6.642 -2.972 -8.906 1.00 0.00 C ATOM 812 CD GLU A 127 6.928 -3.583 -10.279 1.00 0.00 C ATOM 813 OE1 GLU A 127 6.702 -2.902 -11.268 1.00 0.00 O ATOM 814 OE2 GLU A 127 7.365 -4.720 -10.321 1.00 0.00 O ATOM 0 H GLU A 127 5.911 -0.743 -7.476 1.00 0.00 H new ATOM 0 HA GLU A 127 4.790 -1.295 -10.162 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.867 -3.058 -7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.611 -3.575 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 127 7.114 -1.993 -8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 127 7.069 -3.597 -8.122 1.00 0.00 H new ATOM 821 N ALA A 128 3.009 -0.805 -7.466 1.00 0.00 N ATOM 822 CA ALA A 128 1.618 -0.582 -6.993 1.00 0.00 C ATOM 823 C ALA A 128 1.220 0.872 -7.253 1.00 0.00 C ATOM 824 O ALA A 128 0.090 1.265 -7.041 1.00 0.00 O ATOM 825 CB ALA A 128 1.552 -0.868 -5.494 1.00 0.00 C ATOM 0 H ALA A 128 3.737 -0.600 -6.781 1.00 0.00 H new ATOM 0 HA ALA A 128 0.935 -1.244 -7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.535 -0.707 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.843 -1.902 -5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.232 -0.199 -4.966 1.00 0.00 H new ATOM 831 N ASP A 129 2.143 1.676 -7.707 1.00 0.00 N ATOM 832 CA ASP A 129 1.825 3.105 -7.976 1.00 0.00 C ATOM 833 C ASP A 129 1.591 3.307 -9.475 1.00 0.00 C ATOM 834 O ASP A 129 1.904 2.457 -10.285 1.00 0.00 O ATOM 835 CB ASP A 129 2.998 3.979 -7.509 1.00 0.00 C ATOM 836 CG ASP A 129 2.905 5.367 -8.147 1.00 0.00 C ATOM 837 OD1 ASP A 129 3.412 5.528 -9.244 1.00 0.00 O ATOM 838 OD2 ASP A 129 2.330 6.245 -7.526 1.00 0.00 O ATOM 0 H ASP A 129 3.106 1.403 -7.903 1.00 0.00 H new ATOM 0 HA ASP A 129 0.922 3.388 -7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 129 2.986 4.068 -6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 129 3.943 3.508 -7.780 1.00 0.00 H new ATOM 843 N ILE A 130 1.044 4.430 -9.847 1.00 0.00 N ATOM 844 CA ILE A 130 0.790 4.698 -11.286 1.00 0.00 C ATOM 845 C ILE A 130 2.038 5.312 -11.912 1.00 0.00 C ATOM 846 O ILE A 130 2.732 4.690 -12.693 1.00 0.00 O ATOM 847 CB ILE A 130 -0.376 5.677 -11.414 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.622 5.068 -10.775 1.00 0.00 C ATOM 849 CG2 ILE A 130 -0.643 5.971 -12.891 1.00 0.00 C ATOM 850 CD1 ILE A 130 -2.043 3.842 -11.577 1.00 0.00 C ATOM 0 H ILE A 130 0.761 5.176 -9.212 1.00 0.00 H new ATOM 0 HA ILE A 130 0.546 3.767 -11.798 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.126 6.608 -10.905 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.417 4.789 -9.741 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -2.430 5.799 -10.754 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.475 6.670 -12.978 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.247 6.409 -13.341 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.892 5.044 -13.407 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -2.932 3.401 -11.127 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -2.263 4.136 -12.603 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -1.235 3.111 -11.575 1.00 0.00 H new ATOM 862 N ASP A 131 2.325 6.532 -11.568 1.00 0.00 N ATOM 863 CA ASP A 131 3.526 7.210 -12.127 1.00 0.00 C ATOM 864 C ASP A 131 3.612 8.627 -11.562 1.00 0.00 C ATOM 865 O ASP A 131 3.622 9.597 -12.294 1.00 0.00 O ATOM 866 CB ASP A 131 3.413 7.279 -13.651 1.00 0.00 C ATOM 867 CG ASP A 131 4.334 6.234 -14.283 1.00 0.00 C ATOM 868 OD1 ASP A 131 5.036 5.565 -13.543 1.00 0.00 O ATOM 869 OD2 ASP A 131 4.321 6.120 -15.497 1.00 0.00 O ATOM 0 H ASP A 131 1.776 7.095 -10.918 1.00 0.00 H new ATOM 0 HA ASP A 131 4.420 6.649 -11.855 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.382 7.102 -13.957 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.683 8.275 -14.001 1.00 0.00 H new ATOM 874 N GLY A 132 3.673 8.758 -10.266 1.00 0.00 N ATOM 875 CA GLY A 132 3.757 10.112 -9.662 1.00 0.00 C ATOM 876 C GLY A 132 5.210 10.424 -9.335 1.00 0.00 C ATOM 877 O GLY A 132 5.943 10.973 -10.132 1.00 0.00 O ATOM 0 H GLY A 132 3.668 7.985 -9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 132 3.359 10.856 -10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 132 3.150 10.158 -8.758 1.00 0.00 H new ATOM 881 N ASP A 133 5.619 10.069 -8.159 1.00 0.00 N ATOM 882 CA ASP A 133 7.022 10.327 -7.738 1.00 0.00 C ATOM 883 C ASP A 133 7.643 9.034 -7.223 1.00 0.00 C ATOM 884 O ASP A 133 8.842 8.843 -7.260 1.00 0.00 O ATOM 885 CB ASP A 133 7.036 11.367 -6.624 1.00 0.00 C ATOM 886 CG ASP A 133 5.933 11.052 -5.612 1.00 0.00 C ATOM 887 OD1 ASP A 133 5.974 9.976 -5.038 1.00 0.00 O ATOM 888 OD2 ASP A 133 5.068 11.892 -5.427 1.00 0.00 O ATOM 0 H ASP A 133 5.038 9.606 -7.460 1.00 0.00 H new ATOM 0 HA ASP A 133 7.593 10.695 -8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 133 8.007 11.371 -6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.887 12.363 -7.041 1.00 0.00 H new ATOM 893 N GLY A 134 6.828 8.146 -6.749 1.00 0.00 N ATOM 894 CA GLY A 134 7.351 6.853 -6.228 1.00 0.00 C ATOM 895 C GLY A 134 6.653 6.492 -4.913 1.00 0.00 C ATOM 896 O GLY A 134 7.221 5.837 -4.061 1.00 0.00 O ATOM 0 H GLY A 134 5.815 8.256 -6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.189 6.064 -6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.427 6.925 -6.069 1.00 0.00 H new ATOM 900 N GLN A 135 5.426 6.902 -4.739 1.00 0.00 N ATOM 901 CA GLN A 135 4.702 6.566 -3.480 1.00 0.00 C ATOM 902 C GLN A 135 3.349 5.951 -3.835 1.00 0.00 C ATOM 903 O GLN A 135 3.084 5.636 -4.979 1.00 0.00 O ATOM 904 CB GLN A 135 4.492 7.831 -2.645 1.00 0.00 C ATOM 905 CG GLN A 135 3.770 8.885 -3.479 1.00 0.00 C ATOM 906 CD GLN A 135 4.215 10.278 -3.031 1.00 0.00 C ATOM 907 OE1 GLN A 135 5.300 10.442 -2.506 1.00 0.00 O ATOM 908 NE2 GLN A 135 3.420 11.296 -3.212 1.00 0.00 N ATOM 0 H GLN A 135 4.895 7.454 -5.412 1.00 0.00 H new ATOM 0 HA GLN A 135 5.290 5.855 -2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.910 7.597 -1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.453 8.218 -2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.992 8.743 -4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.691 8.781 -3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.510 11.160 -3.652 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.708 12.228 -2.914 1.00 0.00 H new ATOM 917 N VAL A 136 2.492 5.762 -2.871 1.00 0.00 N ATOM 918 CA VAL A 136 1.173 5.152 -3.171 1.00 0.00 C ATOM 919 C VAL A 136 0.060 6.040 -2.618 1.00 0.00 C ATOM 920 O VAL A 136 0.300 6.964 -1.869 1.00 0.00 O ATOM 921 CB VAL A 136 1.115 3.781 -2.496 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.257 3.145 -2.714 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.193 2.875 -3.094 1.00 0.00 C ATOM 0 H VAL A 136 2.650 6.003 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 136 1.042 5.049 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 136 1.286 3.904 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.287 2.169 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -1.028 3.786 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.437 3.025 -3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.154 1.897 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.020 2.761 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.174 3.320 -2.930 1.00 0.00 H new ATOM 933 N ASN A 137 -1.157 5.756 -2.970 1.00 0.00 N ATOM 934 CA ASN A 137 -2.296 6.552 -2.450 1.00 0.00 C ATOM 935 C ASN A 137 -3.504 5.624 -2.364 1.00 0.00 C ATOM 936 O ASN A 137 -3.365 4.424 -2.464 1.00 0.00 O ATOM 937 CB ASN A 137 -2.568 7.757 -3.361 1.00 0.00 C ATOM 938 CG ASN A 137 -3.277 7.328 -4.648 1.00 0.00 C ATOM 939 OD1 ASN A 137 -4.186 6.528 -4.625 1.00 0.00 O ATOM 940 ND2 ASN A 137 -2.899 7.850 -5.784 1.00 0.00 N ATOM 0 H ASN A 137 -1.414 4.998 -3.603 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.072 6.953 -1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.181 8.486 -2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -1.627 8.250 -3.608 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.369 7.584 -6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.134 8.524 -5.806 1.00 0.00 H new ATOM 947 N TYR A 138 -4.677 6.134 -2.161 1.00 0.00 N ATOM 948 CA TYR A 138 -5.844 5.223 -2.053 1.00 0.00 C ATOM 949 C TYR A 138 -6.103 4.522 -3.393 1.00 0.00 C ATOM 950 O TYR A 138 -6.161 3.311 -3.466 1.00 0.00 O ATOM 951 CB TYR A 138 -7.075 6.019 -1.644 1.00 0.00 C ATOM 952 CG TYR A 138 -8.248 5.082 -1.558 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.219 4.041 -0.630 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.349 5.242 -2.404 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.295 3.152 -0.541 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.428 4.354 -2.317 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.401 3.308 -1.386 1.00 0.00 C ATOM 958 OH TYR A 138 -11.464 2.432 -1.301 1.00 0.00 O ATOM 0 H TYR A 138 -4.881 7.129 -2.066 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.631 4.466 -1.299 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.908 6.505 -0.683 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.274 6.807 -2.370 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.365 3.921 0.020 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.367 6.048 -3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.273 2.347 0.178 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.281 4.476 -2.968 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.148 2.683 -1.957 1.00 0.00 H new ATOM 968 N GLU A 139 -6.271 5.269 -4.448 1.00 0.00 N ATOM 969 CA GLU A 139 -6.541 4.641 -5.774 1.00 0.00 C ATOM 970 C GLU A 139 -5.462 3.601 -6.102 1.00 0.00 C ATOM 971 O GLU A 139 -5.754 2.445 -6.337 1.00 0.00 O ATOM 972 CB GLU A 139 -6.544 5.726 -6.853 1.00 0.00 C ATOM 973 CG GLU A 139 -7.853 5.657 -7.643 1.00 0.00 C ATOM 974 CD GLU A 139 -7.592 6.054 -9.097 1.00 0.00 C ATOM 975 OE1 GLU A 139 -6.496 5.804 -9.572 1.00 0.00 O ATOM 976 OE2 GLU A 139 -8.492 6.602 -9.711 1.00 0.00 O ATOM 0 H GLU A 139 -6.233 6.288 -4.451 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.511 4.144 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -6.435 6.709 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -5.695 5.590 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.265 4.649 -7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.593 6.323 -7.200 1.00 0.00 H new ATOM 983 N GLU A 140 -4.221 4.002 -6.136 1.00 0.00 N ATOM 984 CA GLU A 140 -3.130 3.035 -6.463 1.00 0.00 C ATOM 985 C GLU A 140 -3.152 1.871 -5.471 1.00 0.00 C ATOM 986 O GLU A 140 -2.937 0.730 -5.830 1.00 0.00 O ATOM 987 CB GLU A 140 -1.773 3.742 -6.382 1.00 0.00 C ATOM 988 CG GLU A 140 -1.876 5.129 -7.017 1.00 0.00 C ATOM 989 CD GLU A 140 -0.471 5.685 -7.265 1.00 0.00 C ATOM 990 OE1 GLU A 140 0.444 5.252 -6.583 1.00 0.00 O ATOM 991 OE2 GLU A 140 -0.334 6.532 -8.132 1.00 0.00 O ATOM 0 H GLU A 140 -3.913 4.957 -5.952 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.285 2.654 -7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.459 3.830 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.013 3.152 -6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.426 5.070 -7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.433 5.799 -6.363 1.00 0.00 H new ATOM 998 N PHE A 141 -3.405 2.152 -4.226 1.00 0.00 N ATOM 999 CA PHE A 141 -3.436 1.073 -3.202 1.00 0.00 C ATOM 1000 C PHE A 141 -4.570 0.099 -3.520 1.00 0.00 C ATOM 1001 O PHE A 141 -4.510 -1.066 -3.187 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.668 1.697 -1.828 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.986 0.617 -0.823 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -2.952 -0.137 -0.258 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -5.314 0.377 -0.452 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -3.246 -1.132 0.680 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -5.608 -0.619 0.484 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.573 -1.373 1.053 1.00 0.00 C ATOM 0 H PHE A 141 -3.593 3.089 -3.871 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.489 0.534 -3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.782 2.249 -1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.488 2.413 -1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.928 0.049 -0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.111 0.961 -0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.448 -1.715 1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.633 -0.807 0.768 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.799 -2.140 1.779 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.600 0.569 -4.162 1.00 0.00 N ATOM 1019 CA VAL A 142 -6.744 -0.323 -4.503 1.00 0.00 C ATOM 1020 C VAL A 142 -6.289 -1.386 -5.509 1.00 0.00 C ATOM 1021 O VAL A 142 -6.480 -2.569 -5.305 1.00 0.00 O ATOM 1022 CB VAL A 142 -7.866 0.518 -5.117 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -8.884 -0.398 -5.800 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.562 1.319 -4.015 1.00 0.00 C ATOM 0 H VAL A 142 -5.701 1.537 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.105 -0.818 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.443 1.200 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -9.681 0.205 -6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -8.390 -0.969 -6.586 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.307 -1.083 -5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.361 1.919 -4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -8.982 0.635 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.839 1.975 -3.530 1.00 0.00 H new ATOM 1034 N GLN A 143 -5.700 -0.974 -6.598 1.00 0.00 N ATOM 1035 CA GLN A 143 -5.246 -1.960 -7.621 1.00 0.00 C ATOM 1036 C GLN A 143 -4.258 -2.949 -6.995 1.00 0.00 C ATOM 1037 O GLN A 143 -4.167 -4.087 -7.405 1.00 0.00 O ATOM 1038 CB GLN A 143 -4.562 -1.216 -8.769 1.00 0.00 C ATOM 1039 CG GLN A 143 -5.389 0.016 -9.145 1.00 0.00 C ATOM 1040 CD GLN A 143 -5.538 0.085 -10.664 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -6.542 -0.332 -11.208 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -4.573 0.595 -11.379 1.00 0.00 N ATOM 0 H GLN A 143 -5.513 0.003 -6.824 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.109 -2.509 -7.998 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.557 -0.916 -8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -4.458 -1.874 -9.632 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -6.371 -0.034 -8.674 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -4.904 0.919 -8.775 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -3.730 0.945 -10.923 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -4.661 0.644 -12.394 1.00 0.00 H new ATOM 1051 N MET A 144 -3.513 -2.524 -6.011 1.00 0.00 N ATOM 1052 CA MET A 144 -2.528 -3.447 -5.373 1.00 0.00 C ATOM 1053 C MET A 144 -3.207 -4.246 -4.258 1.00 0.00 C ATOM 1054 O MET A 144 -2.730 -5.286 -3.852 1.00 0.00 O ATOM 1055 CB MET A 144 -1.378 -2.633 -4.780 1.00 0.00 C ATOM 1056 CG MET A 144 -0.427 -3.569 -4.032 1.00 0.00 C ATOM 1057 SD MET A 144 -0.416 -3.137 -2.275 1.00 0.00 S ATOM 1058 CE MET A 144 1.067 -4.073 -1.825 1.00 0.00 C ATOM 0 H MET A 144 -3.542 -1.582 -5.622 1.00 0.00 H new ATOM 0 HA MET A 144 -2.144 -4.135 -6.127 1.00 0.00 H new ATOM 0 HB2 MET A 144 -0.842 -2.109 -5.572 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.767 -1.874 -4.102 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.742 -4.604 -4.161 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.579 -3.488 -4.444 1.00 0.00 H new ATOM 0 HE1 MET A 144 1.267 -3.948 -0.761 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.911 -5.129 -2.043 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.917 -3.706 -2.400 1.00 0.00 H new ATOM 1068 N MET A 145 -4.309 -3.767 -3.753 1.00 0.00 N ATOM 1069 CA MET A 145 -5.003 -4.496 -2.663 1.00 0.00 C ATOM 1070 C MET A 145 -6.120 -5.368 -3.245 1.00 0.00 C ATOM 1071 O MET A 145 -6.735 -6.151 -2.551 1.00 0.00 O ATOM 1072 CB MET A 145 -5.599 -3.493 -1.671 1.00 0.00 C ATOM 1073 CG MET A 145 -5.281 -3.949 -0.248 1.00 0.00 C ATOM 1074 SD MET A 145 -5.871 -5.642 -0.006 1.00 0.00 S ATOM 1075 CE MET A 145 -4.280 -6.367 0.459 1.00 0.00 C ATOM 0 H MET A 145 -4.757 -2.901 -4.050 1.00 0.00 H new ATOM 0 HA MET A 145 -4.285 -5.133 -2.147 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.188 -2.499 -1.848 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.678 -3.421 -1.811 1.00 0.00 H new ATOM 0 HG2 MET A 145 -4.207 -3.899 -0.071 1.00 0.00 H new ATOM 0 HG3 MET A 145 -5.754 -3.282 0.473 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.445 -7.338 0.926 1.00 0.00 H new ATOM 0 HE2 MET A 145 -3.664 -6.493 -0.431 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.771 -5.708 1.162 1.00 0.00 H new ATOM 1085 N THR A 146 -6.392 -5.235 -4.514 1.00 0.00 N ATOM 1086 CA THR A 146 -7.477 -6.055 -5.128 1.00 0.00 C ATOM 1087 C THR A 146 -6.888 -7.007 -6.171 1.00 0.00 C ATOM 1088 O THR A 146 -7.263 -8.159 -6.253 1.00 0.00 O ATOM 1089 CB THR A 146 -8.491 -5.129 -5.801 1.00 0.00 C ATOM 1090 OG1 THR A 146 -7.817 -4.275 -6.715 1.00 0.00 O ATOM 1091 CG2 THR A 146 -9.193 -4.285 -4.737 1.00 0.00 C ATOM 0 H THR A 146 -5.913 -4.598 -5.150 1.00 0.00 H new ATOM 0 HA THR A 146 -7.969 -6.639 -4.350 1.00 0.00 H new ATOM 0 HB THR A 146 -9.229 -5.725 -6.337 1.00 0.00 H new ATOM 0 HG1 THR A 146 -7.511 -3.470 -6.246 1.00 0.00 H new ATOM 0 HG21 THR A 146 -9.916 -3.624 -5.215 1.00 0.00 H new ATOM 0 HG22 THR A 146 -9.709 -4.940 -4.035 1.00 0.00 H new ATOM 0 HG23 THR A 146 -8.455 -3.688 -4.201 1.00 0.00 H new