USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 94 MET CE :methyl -114:sc= -0.332 (180deg=-1.69!) USER MOD Set 1.2: A 105 CYS SG : rot 175:sc= -2.4! USER MOD Set 2.1: A 82 SER OG : rot 180:sc= 0.254 USER MOD Set 2.2: A 84 SER OG : rot -54:sc= 0.0719 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 140:sc= -0.597 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 25 ASN : amide:sc= -2.67 K(o=-2.7,f=-8.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 67:sc= -5.89! USER MOD Single : A 34 TYR OH : rot 86:sc= 0.716 USER MOD Single : A 35 SER OG : rot 180:sc= -0.743 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.131 F(o=-0.85,f=-0.13) USER MOD Single : A 42 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.15) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -156:sc= -1.85! USER MOD Single : A 46 GLN :FLIP amide:sc= -0.742 F(o=-3.5!,f=-0.74) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0746 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 166:sc= -0.131 (180deg=-0.309) USER MOD Single : A 97 MET CE :methyl -175:sc= 0 (180deg=-0.0169) USER MOD Single : A 99 GLN :FLIP amide:sc=-0.000681 F(o=-2.4!,f=-0.00068) USER MOD Single : A 104 CYS SG : rot 55:sc= -0.876 USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -3.848 8.345 -9.013 1.00 0.00 N ATOM 113 CA LYS A 9 -2.787 7.371 -8.782 1.00 0.00 C ATOM 114 C LYS A 9 -2.552 7.128 -7.294 1.00 0.00 C ATOM 115 O LYS A 9 -2.085 8.010 -6.565 1.00 0.00 O ATOM 116 CB LYS A 9 -1.491 7.836 -9.448 1.00 0.00 C ATOM 117 CG LYS A 9 -0.823 6.765 -10.294 1.00 0.00 C ATOM 118 CD LYS A 9 0.150 5.932 -9.474 1.00 0.00 C ATOM 119 CE LYS A 9 0.481 4.620 -10.164 1.00 0.00 C ATOM 120 NZ LYS A 9 1.864 4.617 -10.715 1.00 0.00 N ATOM 0 HA LYS A 9 -3.105 6.427 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.705 8.701 -10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.794 8.165 -8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.584 6.116 -10.728 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.293 7.233 -11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.066 6.499 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.280 5.730 -8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.371 3.799 -9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.231 4.444 -10.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.051 3.705 -11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.962 5.384 -11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.546 4.760 -9.943 1.00 0.00 H new ATOM 134 N ALA A 10 -2.879 5.924 -6.846 1.00 0.00 N ATOM 135 CA ALA A 10 -2.700 5.567 -5.452 1.00 0.00 C ATOM 136 C ALA A 10 -1.238 5.258 -5.154 1.00 0.00 C ATOM 137 O ALA A 10 -0.786 4.131 -5.335 1.00 0.00 O ATOM 138 CB ALA A 10 -3.584 4.386 -5.085 1.00 0.00 C ATOM 0 H ALA A 10 -3.268 5.182 -7.428 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.996 6.420 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.436 4.133 -4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.629 4.648 -5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.322 3.529 -5.705 1.00 0.00 H new ATOM 144 N ILE A 11 -0.504 6.267 -4.698 1.00 0.00 N ATOM 145 CA ILE A 11 0.907 6.101 -4.376 1.00 0.00 C ATOM 146 C ILE A 11 1.142 6.167 -2.871 1.00 0.00 C ATOM 147 O ILE A 11 0.994 7.222 -2.253 1.00 0.00 O ATOM 148 CB ILE A 11 1.774 7.176 -5.064 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.590 7.117 -6.583 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.242 6.990 -4.700 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.152 8.433 -7.189 1.00 0.00 C ATOM 0 H ILE A 11 -0.864 7.209 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 11 1.198 5.117 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 11 1.452 8.156 -4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.529 6.809 -7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.851 6.352 -6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.839 7.757 -5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.363 7.076 -3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.576 6.005 -5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.041 8.318 -8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.198 8.733 -6.756 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.901 9.197 -6.981 1.00 0.00 H new ATOM 163 N PHE A 12 1.524 5.034 -2.291 1.00 0.00 N ATOM 164 CA PHE A 12 1.800 4.956 -0.862 1.00 0.00 C ATOM 165 C PHE A 12 3.282 4.674 -0.640 1.00 0.00 C ATOM 166 O PHE A 12 3.757 3.573 -0.916 1.00 0.00 O ATOM 167 CB PHE A 12 0.958 3.853 -0.212 1.00 0.00 C ATOM 168 CG PHE A 12 -0.405 4.302 0.236 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.458 4.361 -0.661 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.634 4.659 1.556 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.715 4.767 -0.249 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.887 5.067 1.972 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.930 5.120 1.070 1.00 0.00 C ATOM 0 H PHE A 12 1.650 4.154 -2.791 1.00 0.00 H new ATOM 0 HA PHE A 12 1.539 5.909 -0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.843 3.033 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.499 3.457 0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.297 4.087 -1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.177 4.618 2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.528 4.808 -0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.050 5.344 3.003 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.911 5.436 1.393 1.00 0.00 H new ATOM 183 N THR A 13 4.011 5.668 -0.149 1.00 0.00 N ATOM 184 CA THR A 13 5.439 5.508 0.093 1.00 0.00 C ATOM 185 C THR A 13 5.715 5.126 1.538 1.00 0.00 C ATOM 186 O THR A 13 5.321 5.833 2.462 1.00 0.00 O ATOM 187 CB THR A 13 6.219 6.791 -0.246 1.00 0.00 C ATOM 188 OG1 THR A 13 5.793 7.303 -1.513 1.00 0.00 O ATOM 189 CG2 THR A 13 7.713 6.513 -0.280 1.00 0.00 C ATOM 0 H THR A 13 3.640 6.588 0.088 1.00 0.00 H new ATOM 0 HA THR A 13 5.777 4.705 -0.562 1.00 0.00 H new ATOM 0 HB THR A 13 6.018 7.532 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.293 8.120 -1.720 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.249 7.431 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.038 6.149 0.695 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.926 5.759 -1.038 1.00 0.00 H new ATOM 197 N VAL A 14 6.391 3.994 1.722 1.00 0.00 N ATOM 198 CA VAL A 14 6.721 3.497 3.052 1.00 0.00 C ATOM 199 C VAL A 14 8.121 2.886 3.069 1.00 0.00 C ATOM 200 O VAL A 14 8.762 2.762 2.030 1.00 0.00 O ATOM 201 CB VAL A 14 5.694 2.440 3.528 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.339 2.679 2.885 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.171 1.025 3.226 1.00 0.00 C ATOM 0 H VAL A 14 6.722 3.402 0.960 1.00 0.00 H new ATOM 0 HA VAL A 14 6.690 4.347 3.733 1.00 0.00 H new ATOM 0 HB VAL A 14 5.596 2.543 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.633 1.925 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.976 3.670 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.434 2.614 1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.427 0.308 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.312 0.910 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.116 0.843 3.737 1.00 0.00 H new ATOM 213 N ASP A 15 8.580 2.489 4.253 1.00 0.00 N ATOM 214 CA ASP A 15 9.893 1.865 4.393 1.00 0.00 C ATOM 215 C ASP A 15 9.735 0.350 4.473 1.00 0.00 C ATOM 216 O ASP A 15 8.633 -0.147 4.685 1.00 0.00 O ATOM 217 CB ASP A 15 10.614 2.391 5.639 1.00 0.00 C ATOM 218 CG ASP A 15 9.743 2.361 6.881 1.00 0.00 C ATOM 219 OD1 ASP A 15 8.645 1.769 6.825 1.00 0.00 O ATOM 220 OD2 ASP A 15 10.160 2.929 7.911 1.00 0.00 O ATOM 0 H ASP A 15 8.064 2.588 5.127 1.00 0.00 H new ATOM 0 HA ASP A 15 10.496 2.117 3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.509 1.794 5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.944 3.414 5.457 1.00 0.00 H new ATOM 225 N ALA A 16 10.822 -0.387 4.287 1.00 0.00 N ATOM 226 CA ALA A 16 10.757 -1.844 4.328 1.00 0.00 C ATOM 227 C ALA A 16 11.002 -2.379 5.729 1.00 0.00 C ATOM 228 O ALA A 16 10.690 -3.534 6.024 1.00 0.00 O ATOM 229 CB ALA A 16 11.746 -2.445 3.341 1.00 0.00 C ATOM 0 H ALA A 16 11.751 -0.006 4.108 1.00 0.00 H new ATOM 0 HA ALA A 16 9.748 -2.140 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.686 -3.533 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.505 -2.107 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.756 -2.127 3.599 1.00 0.00 H new ATOM 235 N LYS A 17 11.548 -1.540 6.593 1.00 0.00 N ATOM 236 CA LYS A 17 11.814 -1.944 7.964 1.00 0.00 C ATOM 237 C LYS A 17 10.509 -2.041 8.750 1.00 0.00 C ATOM 238 O LYS A 17 10.202 -3.076 9.341 1.00 0.00 O ATOM 239 CB LYS A 17 12.758 -0.947 8.637 1.00 0.00 C ATOM 240 CG LYS A 17 13.737 -1.594 9.602 1.00 0.00 C ATOM 241 CD LYS A 17 14.282 -0.586 10.599 1.00 0.00 C ATOM 242 CE LYS A 17 13.526 -0.644 11.917 1.00 0.00 C ATOM 243 NZ LYS A 17 14.090 0.299 12.922 1.00 0.00 N ATOM 0 H LYS A 17 11.815 -0.581 6.372 1.00 0.00 H new ATOM 0 HA LYS A 17 12.290 -2.925 7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.317 -0.413 7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.167 -0.205 9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.241 -2.405 10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.561 -2.037 9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.340 -0.782 10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.210 0.418 10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.476 -0.406 11.744 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.562 -1.659 12.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.547 0.229 13.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.084 0.056 13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.033 1.271 12.556 1.00 0.00 H new ATOM 257 N THR A 18 9.763 -0.943 8.766 1.00 0.00 N ATOM 258 CA THR A 18 8.504 -0.904 9.509 1.00 0.00 C ATOM 259 C THR A 18 7.272 -0.814 8.617 1.00 0.00 C ATOM 260 O THR A 18 6.146 -0.959 9.095 1.00 0.00 O ATOM 261 CB THR A 18 8.480 0.246 10.538 1.00 0.00 C ATOM 262 OG1 THR A 18 7.380 1.124 10.273 1.00 0.00 O ATOM 263 CG2 THR A 18 9.782 1.037 10.512 1.00 0.00 C ATOM 0 H THR A 18 10.001 -0.078 8.281 1.00 0.00 H new ATOM 0 HA THR A 18 8.459 -1.859 10.033 1.00 0.00 H new ATOM 0 HB THR A 18 8.364 -0.195 11.528 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.970 1.400 11.119 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.735 1.840 11.248 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.615 0.375 10.750 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.929 1.462 9.519 1.00 0.00 H new ATOM 271 N THR A 19 7.483 -0.571 7.337 1.00 0.00 N ATOM 272 CA THR A 19 6.381 -0.457 6.381 1.00 0.00 C ATOM 273 C THR A 19 5.552 0.798 6.641 1.00 0.00 C ATOM 274 O THR A 19 4.528 1.024 5.993 1.00 0.00 O ATOM 275 CB THR A 19 5.454 -1.687 6.424 1.00 0.00 C ATOM 276 OG1 THR A 19 6.197 -2.851 6.809 1.00 0.00 O ATOM 277 CG2 THR A 19 4.806 -1.921 5.068 1.00 0.00 C ATOM 0 H THR A 19 8.409 -0.447 6.927 1.00 0.00 H new ATOM 0 HA THR A 19 6.836 -0.394 5.392 1.00 0.00 H new ATOM 0 HB THR A 19 4.671 -1.498 7.158 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.599 -3.627 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.156 -2.794 5.121 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.217 -1.047 4.790 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.580 -2.090 4.319 1.00 0.00 H new ATOM 285 N GLU A 20 6.003 1.613 7.589 1.00 0.00 N ATOM 286 CA GLU A 20 5.312 2.850 7.936 1.00 0.00 C ATOM 287 C GLU A 20 5.242 3.778 6.730 1.00 0.00 C ATOM 288 O GLU A 20 6.268 4.133 6.148 1.00 0.00 O ATOM 289 CB GLU A 20 6.025 3.550 9.093 1.00 0.00 C ATOM 290 CG GLU A 20 5.452 4.917 9.431 1.00 0.00 C ATOM 291 CD GLU A 20 6.496 5.864 9.986 1.00 0.00 C ATOM 292 OE1 GLU A 20 7.293 6.403 9.189 1.00 0.00 O ATOM 293 OE2 GLU A 20 6.517 6.068 11.218 1.00 0.00 O ATOM 0 H GLU A 20 6.848 1.438 8.133 1.00 0.00 H new ATOM 0 HA GLU A 20 4.297 2.601 8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.971 2.915 9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.080 3.661 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.010 5.353 8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.649 4.801 10.158 1.00 0.00 H new ATOM 300 N ILE A 21 4.028 4.162 6.354 1.00 0.00 N ATOM 301 CA ILE A 21 3.825 5.041 5.211 1.00 0.00 C ATOM 302 C ILE A 21 4.452 6.409 5.445 1.00 0.00 C ATOM 303 O ILE A 21 3.888 7.254 6.142 1.00 0.00 O ATOM 304 CB ILE A 21 2.331 5.217 4.879 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.519 4.011 5.362 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.150 5.407 3.381 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.438 4.368 6.356 1.00 0.00 C ATOM 0 H ILE A 21 3.169 3.878 6.825 1.00 0.00 H new ATOM 0 HA ILE A 21 4.316 4.562 4.364 1.00 0.00 H new ATOM 0 HB ILE A 21 1.965 6.103 5.397 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.062 3.523 4.501 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.195 3.287 5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.091 5.531 3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.696 6.294 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.534 4.533 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.095 3.465 6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.889 4.829 7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.261 5.068 5.898 1.00 0.00 H new ATOM 319 N LEU A 22 5.622 6.619 4.850 1.00 0.00 N ATOM 320 CA LEU A 22 6.339 7.883 4.979 1.00 0.00 C ATOM 321 C LEU A 22 5.474 9.052 4.518 1.00 0.00 C ATOM 322 O LEU A 22 5.548 10.144 5.081 1.00 0.00 O ATOM 323 CB LEU A 22 7.639 7.850 4.168 1.00 0.00 C ATOM 324 CG LEU A 22 8.288 6.472 4.013 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.474 6.547 3.064 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.720 5.931 5.369 1.00 0.00 C ATOM 0 H LEU A 22 6.096 5.926 4.271 1.00 0.00 H new ATOM 0 HA LEU A 22 6.580 8.022 6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.436 8.250 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.358 8.519 4.641 1.00 0.00 H new ATOM 0 HG LEU A 22 7.552 5.789 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.924 5.559 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.137 6.892 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.213 7.244 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.179 4.951 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.441 6.613 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.850 5.841 6.019 1.00 0.00 H new ATOM 338 N VAL A 23 4.654 8.818 3.490 1.00 0.00 N ATOM 339 CA VAL A 23 3.780 9.859 2.959 1.00 0.00 C ATOM 340 C VAL A 23 2.930 9.338 1.796 1.00 0.00 C ATOM 341 O VAL A 23 3.305 8.380 1.120 1.00 0.00 O ATOM 342 CB VAL A 23 4.598 11.091 2.497 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.589 11.239 0.979 1.00 0.00 C ATOM 344 CG2 VAL A 23 4.079 12.354 3.164 1.00 0.00 C ATOM 0 H VAL A 23 4.579 7.920 3.013 1.00 0.00 H new ATOM 0 HA VAL A 23 3.113 10.160 3.767 1.00 0.00 H new ATOM 0 HB VAL A 23 5.633 10.934 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.173 12.114 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.024 10.349 0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.563 11.359 0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.665 13.210 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.033 12.503 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.167 12.256 4.246 1.00 0.00 H new ATOM 354 N ALA A 24 1.796 9.996 1.563 1.00 0.00 N ATOM 355 CA ALA A 24 0.897 9.627 0.472 1.00 0.00 C ATOM 356 C ALA A 24 0.378 10.887 -0.222 1.00 0.00 C ATOM 357 O ALA A 24 0.473 11.983 0.331 1.00 0.00 O ATOM 358 CB ALA A 24 -0.250 8.771 0.982 1.00 0.00 C ATOM 0 H ALA A 24 1.477 10.790 2.118 1.00 0.00 H new ATOM 0 HA ALA A 24 1.451 9.033 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.906 8.509 0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.147 7.861 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.816 9.328 1.729 1.00 0.00 H new ATOM 364 N ASN A 25 -0.125 10.742 -1.444 1.00 0.00 N ATOM 365 CA ASN A 25 -0.600 11.900 -2.204 1.00 0.00 C ATOM 366 C ASN A 25 -2.121 12.030 -2.240 1.00 0.00 C ATOM 367 O ASN A 25 -2.858 11.119 -1.878 1.00 0.00 O ATOM 368 CB ASN A 25 -0.051 11.846 -3.630 1.00 0.00 C ATOM 369 CG ASN A 25 -0.463 10.581 -4.363 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.454 9.487 -3.799 1.00 0.00 O ATOM 371 ND2 ASN A 25 -0.835 10.727 -5.626 1.00 0.00 N ATOM 0 H ASN A 25 -0.215 9.848 -1.927 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.228 12.782 -1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.404 12.715 -4.185 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.037 11.907 -3.600 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.128 9.915 -6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.828 11.652 -6.056 1.00 0.00 H new ATOM 378 N ASP A 26 -2.560 13.201 -2.700 1.00 0.00 N ATOM 379 CA ASP A 26 -3.981 13.533 -2.811 1.00 0.00 C ATOM 380 C ASP A 26 -4.747 12.532 -3.668 1.00 0.00 C ATOM 381 O ASP A 26 -5.974 12.583 -3.738 1.00 0.00 O ATOM 382 CB ASP A 26 -4.154 14.937 -3.388 1.00 0.00 C ATOM 383 CG ASP A 26 -3.003 15.858 -3.032 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.004 15.875 -3.781 1.00 0.00 O ATOM 385 OD2 ASP A 26 -3.100 16.561 -2.005 1.00 0.00 O ATOM 0 H ASP A 26 -1.938 13.949 -3.007 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.395 13.492 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.241 14.872 -4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.086 15.366 -3.019 1.00 0.00 H new ATOM 390 N LYS A 27 -4.035 11.604 -4.293 1.00 0.00 N ATOM 391 CA LYS A 27 -4.676 10.583 -5.105 1.00 0.00 C ATOM 392 C LYS A 27 -4.885 9.332 -4.261 1.00 0.00 C ATOM 393 O LYS A 27 -6.016 8.980 -3.927 1.00 0.00 O ATOM 394 CB LYS A 27 -3.833 10.276 -6.341 1.00 0.00 C ATOM 395 CG LYS A 27 -3.339 11.521 -7.062 1.00 0.00 C ATOM 396 CD LYS A 27 -4.276 11.928 -8.188 1.00 0.00 C ATOM 397 CE LYS A 27 -5.463 12.722 -7.671 1.00 0.00 C ATOM 398 NZ LYS A 27 -5.228 14.191 -7.757 1.00 0.00 N ATOM 0 H LYS A 27 -3.018 11.538 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.645 10.945 -5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.975 9.672 -6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.422 9.675 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.248 12.341 -6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.343 11.337 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.730 12.524 -8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.632 11.037 -8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.352 12.462 -8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.661 12.446 -6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.061 14.698 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.395 14.443 -7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.064 14.459 -8.748 1.00 0.00 H new ATOM 412 N ALA A 28 -3.778 8.681 -3.902 1.00 0.00 N ATOM 413 CA ALA A 28 -3.824 7.483 -3.066 1.00 0.00 C ATOM 414 C ALA A 28 -4.742 7.679 -1.862 1.00 0.00 C ATOM 415 O ALA A 28 -5.635 6.868 -1.604 1.00 0.00 O ATOM 416 CB ALA A 28 -2.424 7.130 -2.590 1.00 0.00 C ATOM 0 H ALA A 28 -2.838 8.964 -4.178 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.224 6.668 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.466 6.236 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.783 6.942 -3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.018 7.958 -2.009 1.00 0.00 H new ATOM 422 N CYS A 29 -4.511 8.761 -1.128 1.00 0.00 N ATOM 423 CA CYS A 29 -5.313 9.069 0.047 1.00 0.00 C ATOM 424 C CYS A 29 -6.783 9.180 -0.333 1.00 0.00 C ATOM 425 O CYS A 29 -7.658 8.734 0.408 1.00 0.00 O ATOM 426 CB CYS A 29 -4.816 10.359 0.691 1.00 0.00 C ATOM 427 SG CYS A 29 -3.015 10.503 0.721 1.00 0.00 S ATOM 0 H CYS A 29 -3.775 9.439 -1.327 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.212 8.261 0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.231 11.209 0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.194 10.415 1.712 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.569 10.622 -0.494 1.00 0.00 H new ATOM 433 N GLY A 30 -7.047 9.750 -1.506 1.00 0.00 N ATOM 434 CA GLY A 30 -8.416 9.871 -1.970 1.00 0.00 C ATOM 435 C GLY A 30 -9.063 8.509 -2.116 1.00 0.00 C ATOM 436 O GLY A 30 -10.232 8.325 -1.772 1.00 0.00 O ATOM 0 H GLY A 30 -6.342 10.128 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.989 10.476 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.434 10.391 -2.928 1.00 0.00 H new ATOM 440 N LEU A 31 -8.282 7.552 -2.618 1.00 0.00 N ATOM 441 CA LEU A 31 -8.751 6.183 -2.807 1.00 0.00 C ATOM 442 C LEU A 31 -9.435 5.684 -1.534 1.00 0.00 C ATOM 443 O LEU A 31 -10.603 5.294 -1.563 1.00 0.00 O ATOM 444 CB LEU A 31 -7.568 5.283 -3.215 1.00 0.00 C ATOM 445 CG LEU A 31 -7.794 3.762 -3.185 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.410 3.198 -1.826 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.228 3.394 -3.544 1.00 0.00 C ATOM 0 H LEU A 31 -7.314 7.704 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.489 6.151 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.267 5.559 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.728 5.512 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.151 3.315 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.575 2.121 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.358 3.405 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.021 3.664 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.345 2.311 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.911 3.855 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.455 3.753 -4.548 1.00 0.00 H new ATOM 459 N LEU A 32 -8.721 5.723 -0.409 1.00 0.00 N ATOM 460 CA LEU A 32 -9.319 5.295 0.858 1.00 0.00 C ATOM 461 C LEU A 32 -10.024 6.464 1.542 1.00 0.00 C ATOM 462 O LEU A 32 -11.253 6.521 1.581 1.00 0.00 O ATOM 463 CB LEU A 32 -8.311 4.672 1.833 1.00 0.00 C ATOM 464 CG LEU A 32 -6.836 4.690 1.430 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.286 6.106 1.444 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.051 3.798 2.382 1.00 0.00 C ATOM 0 H LEU A 32 -7.753 6.038 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.038 4.518 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.405 5.187 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.601 3.635 2.000 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.738 4.311 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.235 6.091 1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.848 6.722 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.379 6.523 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.998 3.805 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.158 4.170 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.435 2.779 2.326 1.00 0.00 H new ATOM 478 N GLY A 33 -9.240 7.392 2.083 1.00 0.00 N ATOM 479 CA GLY A 33 -9.812 8.545 2.759 1.00 0.00 C ATOM 480 C GLY A 33 -8.850 9.173 3.746 1.00 0.00 C ATOM 481 O GLY A 33 -9.257 9.921 4.635 1.00 0.00 O ATOM 0 H GLY A 33 -8.220 7.367 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.105 9.289 2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.719 8.243 3.282 1.00 0.00 H new ATOM 485 N TYR A 34 -7.570 8.868 3.584 1.00 0.00 N ATOM 486 CA TYR A 34 -6.532 9.401 4.459 1.00 0.00 C ATOM 487 C TYR A 34 -5.826 10.584 3.801 1.00 0.00 C ATOM 488 O TYR A 34 -6.424 11.317 3.013 1.00 0.00 O ATOM 489 CB TYR A 34 -5.505 8.308 4.777 1.00 0.00 C ATOM 490 CG TYR A 34 -5.983 7.270 5.765 1.00 0.00 C ATOM 491 CD1 TYR A 34 -6.965 6.353 5.420 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.443 7.205 7.042 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.398 5.400 6.320 1.00 0.00 C ATOM 494 CE2 TYR A 34 -5.870 6.255 7.949 1.00 0.00 C ATOM 495 CZ TYR A 34 -6.849 5.355 7.584 1.00 0.00 C ATOM 496 OH TYR A 34 -7.276 4.407 8.483 1.00 0.00 O ATOM 0 H TYR A 34 -7.223 8.250 2.850 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.003 9.741 5.381 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.226 7.808 3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.603 8.777 5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.398 6.385 4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.676 7.909 7.331 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.163 4.693 6.035 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.440 6.217 8.939 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.773 3.577 8.347 1.00 0.00 H new ATOM 506 N SER A 35 -4.540 10.739 4.117 1.00 0.00 N ATOM 507 CA SER A 35 -3.713 11.799 3.556 1.00 0.00 C ATOM 508 C SER A 35 -2.313 11.752 4.147 1.00 0.00 C ATOM 509 O SER A 35 -2.101 11.180 5.215 1.00 0.00 O ATOM 510 CB SER A 35 -4.322 13.176 3.763 1.00 0.00 C ATOM 511 OG SER A 35 -4.332 13.537 5.134 1.00 0.00 O ATOM 0 H SER A 35 -4.045 10.131 4.770 1.00 0.00 H new ATOM 0 HA SER A 35 -3.657 11.625 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.756 13.915 3.195 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.341 13.187 3.375 1.00 0.00 H new ATOM 0 HG SER A 35 -4.728 14.428 5.235 1.00 0.00 H new ATOM 517 N SER A 36 -1.365 12.344 3.437 1.00 0.00 N ATOM 518 CA SER A 36 0.029 12.370 3.874 1.00 0.00 C ATOM 519 C SER A 36 0.163 12.716 5.358 1.00 0.00 C ATOM 520 O SER A 36 1.088 12.260 6.026 1.00 0.00 O ATOM 521 CB SER A 36 0.822 13.374 3.035 1.00 0.00 C ATOM 522 OG SER A 36 1.175 14.515 3.799 1.00 0.00 O ATOM 0 H SER A 36 -1.534 12.817 2.549 1.00 0.00 H new ATOM 0 HA SER A 36 0.433 11.368 3.732 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.724 12.898 2.650 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.229 13.680 2.173 1.00 0.00 H new ATOM 0 HG SER A 36 1.682 15.139 3.239 1.00 0.00 H new ATOM 528 N GLN A 37 -0.749 13.545 5.863 1.00 0.00 N ATOM 529 CA GLN A 37 -0.704 13.961 7.264 1.00 0.00 C ATOM 530 C GLN A 37 -1.671 13.167 8.145 1.00 0.00 C ATOM 531 O GLN A 37 -1.549 13.180 9.371 1.00 0.00 O ATOM 532 CB GLN A 37 -1.019 15.453 7.373 1.00 0.00 C ATOM 533 CG GLN A 37 -2.364 15.835 6.779 1.00 0.00 C ATOM 534 CD GLN A 37 -3.011 17.003 7.497 1.00 0.00 C ATOM 535 OE1 GLN A 37 -2.960 16.987 8.823 1.00 0.00 O flip ATOM 536 NE2 GLN A 37 -3.554 17.911 6.864 1.00 0.00 N flip ATOM 0 H GLN A 37 -1.523 13.939 5.328 1.00 0.00 H new ATOM 0 HA GLN A 37 0.305 13.761 7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.999 15.744 8.423 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.235 16.019 6.870 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.233 16.088 5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.032 14.974 6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.570 17.883 5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.987 18.690 7.360 1.00 0.00 H new ATOM 545 N ASP A 38 -2.648 12.502 7.532 1.00 0.00 N ATOM 546 CA ASP A 38 -3.638 11.738 8.291 1.00 0.00 C ATOM 547 C ASP A 38 -3.357 10.237 8.285 1.00 0.00 C ATOM 548 O ASP A 38 -4.066 9.470 8.938 1.00 0.00 O ATOM 549 CB ASP A 38 -5.038 11.990 7.730 1.00 0.00 C ATOM 550 CG ASP A 38 -5.619 13.316 8.183 1.00 0.00 C ATOM 551 OD1 ASP A 38 -4.844 14.176 8.651 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.849 13.494 8.068 1.00 0.00 O ATOM 0 H ASP A 38 -2.776 12.476 6.520 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.574 12.081 9.324 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.998 11.968 6.641 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.701 11.182 8.041 1.00 0.00 H new ATOM 557 N LEU A 39 -2.340 9.812 7.546 1.00 0.00 N ATOM 558 CA LEU A 39 -2.015 8.389 7.471 1.00 0.00 C ATOM 559 C LEU A 39 -0.548 8.117 7.798 1.00 0.00 C ATOM 560 O LEU A 39 -0.172 6.978 8.079 1.00 0.00 O ATOM 561 CB LEU A 39 -2.367 7.838 6.088 1.00 0.00 C ATOM 562 CG LEU A 39 -1.452 8.276 4.947 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.344 7.262 4.726 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.258 8.463 3.673 1.00 0.00 C ATOM 0 H LEU A 39 -1.733 10.420 6.997 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.614 7.876 8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.358 6.749 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.387 8.138 5.847 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.994 9.227 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.296 7.594 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.249 7.167 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.780 6.295 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.595 8.775 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.738 7.522 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.020 9.226 3.833 1.00 0.00 H new ATOM 576 N ILE A 40 0.277 9.156 7.767 1.00 0.00 N ATOM 577 CA ILE A 40 1.694 8.995 8.066 1.00 0.00 C ATOM 578 C ILE A 40 1.889 8.528 9.509 1.00 0.00 C ATOM 579 O ILE A 40 1.257 9.044 10.431 1.00 0.00 O ATOM 580 CB ILE A 40 2.476 10.307 7.823 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.980 10.025 7.694 1.00 0.00 C ATOM 582 CG2 ILE A 40 2.199 11.322 8.927 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.704 9.866 9.016 1.00 0.00 C ATOM 0 H ILE A 40 -0.006 10.109 7.540 1.00 0.00 H new ATOM 0 HA ILE A 40 2.088 8.236 7.391 1.00 0.00 H new ATOM 0 HB ILE A 40 2.132 10.739 6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.118 9.117 7.107 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.443 10.839 7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.761 12.235 8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.134 11.550 8.952 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.504 10.907 9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.760 9.670 8.831 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.602 10.781 9.599 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.271 9.033 9.570 1.00 0.00 H new ATOM 595 N GLY A 41 2.761 7.542 9.697 1.00 0.00 N ATOM 596 CA GLY A 41 3.015 7.021 11.027 1.00 0.00 C ATOM 597 C GLY A 41 2.629 5.561 11.168 1.00 0.00 C ATOM 598 O GLY A 41 3.308 4.799 11.857 1.00 0.00 O ATOM 0 H GLY A 41 3.296 7.095 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.073 7.137 11.262 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.460 7.611 11.756 1.00 0.00 H new ATOM 602 N GLN A 42 1.540 5.167 10.513 1.00 0.00 N ATOM 603 CA GLN A 42 1.072 3.784 10.571 1.00 0.00 C ATOM 604 C GLN A 42 1.523 3.006 9.340 1.00 0.00 C ATOM 605 O GLN A 42 2.334 3.490 8.551 1.00 0.00 O ATOM 606 CB GLN A 42 -0.457 3.734 10.688 1.00 0.00 C ATOM 607 CG GLN A 42 -1.160 4.900 10.015 1.00 0.00 C ATOM 608 CD GLN A 42 -1.722 5.894 11.011 1.00 0.00 C ATOM 609 OE1 GLN A 42 -2.470 5.528 11.918 1.00 0.00 O ATOM 610 NE2 GLN A 42 -1.364 7.163 10.846 1.00 0.00 N ATOM 0 H GLN A 42 0.966 5.783 9.937 1.00 0.00 H new ATOM 0 HA GLN A 42 1.509 3.321 11.456 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.816 2.803 10.249 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.731 3.716 11.743 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.459 5.410 9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.968 4.521 9.390 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.742 7.422 10.080 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.711 7.878 11.485 1.00 0.00 H new ATOM 619 N LYS A 43 0.987 1.800 9.181 1.00 0.00 N ATOM 620 CA LYS A 43 1.325 0.955 8.040 1.00 0.00 C ATOM 621 C LYS A 43 0.139 0.856 7.086 1.00 0.00 C ATOM 622 O LYS A 43 -0.985 0.603 7.515 1.00 0.00 O ATOM 623 CB LYS A 43 1.737 -0.442 8.513 1.00 0.00 C ATOM 624 CG LYS A 43 2.837 -0.428 9.562 1.00 0.00 C ATOM 625 CD LYS A 43 2.290 -0.720 10.951 1.00 0.00 C ATOM 626 CE LYS A 43 2.666 -2.116 11.415 1.00 0.00 C ATOM 627 NZ LYS A 43 2.182 -2.393 12.796 1.00 0.00 N ATOM 0 H LYS A 43 0.316 1.385 9.828 1.00 0.00 H new ATOM 0 HA LYS A 43 2.165 1.407 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.864 -0.951 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.072 -1.023 7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.595 -1.169 9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.329 0.545 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.676 0.015 11.657 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.205 -0.617 10.945 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.246 -2.852 10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.749 -2.230 11.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.459 -3.356 13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.602 -1.707 13.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.146 -2.310 12.824 1.00 0.00 H new ATOM 641 N LEU A 44 0.389 1.099 5.801 1.00 0.00 N ATOM 642 CA LEU A 44 -0.671 1.073 4.790 1.00 0.00 C ATOM 643 C LEU A 44 -1.593 -0.141 4.928 1.00 0.00 C ATOM 644 O LEU A 44 -2.805 -0.020 4.786 1.00 0.00 O ATOM 645 CB LEU A 44 -0.087 1.105 3.370 1.00 0.00 C ATOM 646 CG LEU A 44 1.346 0.583 3.207 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.430 -0.908 3.502 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.841 0.867 1.796 1.00 0.00 C ATOM 0 H LEU A 44 1.315 1.316 5.433 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.267 1.969 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.739 0.521 2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.118 2.134 3.012 1.00 0.00 H new ATOM 0 HG LEU A 44 1.981 1.102 3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.459 -1.246 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.108 -1.095 4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.783 -1.452 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.859 0.494 1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.192 0.369 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.827 1.942 1.615 1.00 0.00 H new ATOM 660 N THR A 45 -1.007 -1.308 5.176 1.00 0.00 N ATOM 661 CA THR A 45 -1.769 -2.551 5.299 1.00 0.00 C ATOM 662 C THR A 45 -2.890 -2.461 6.323 1.00 0.00 C ATOM 663 O THR A 45 -3.813 -3.275 6.313 1.00 0.00 O ATOM 664 CB THR A 45 -0.851 -3.722 5.662 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.258 -3.504 6.948 1.00 0.00 O ATOM 666 CG2 THR A 45 0.231 -3.872 4.616 1.00 0.00 C ATOM 0 H THR A 45 -0.001 -1.421 5.297 1.00 0.00 H new ATOM 0 HA THR A 45 -2.222 -2.721 4.322 1.00 0.00 H new ATOM 0 HB THR A 45 -1.444 -4.636 5.697 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.576 -4.014 7.014 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.880 -4.707 4.881 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.226 -4.062 3.645 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.820 -2.956 4.568 1.00 0.00 H new ATOM 674 N GLN A 46 -2.819 -1.467 7.196 1.00 0.00 N ATOM 675 CA GLN A 46 -3.846 -1.286 8.209 1.00 0.00 C ATOM 676 C GLN A 46 -5.171 -0.967 7.536 1.00 0.00 C ATOM 677 O GLN A 46 -6.241 -1.151 8.112 1.00 0.00 O ATOM 678 CB GLN A 46 -3.459 -0.159 9.171 1.00 0.00 C ATOM 679 CG GLN A 46 -3.624 -0.528 10.637 1.00 0.00 C ATOM 680 CD GLN A 46 -2.388 -0.217 11.463 1.00 0.00 C ATOM 681 OE1 GLN A 46 -1.591 0.744 11.009 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -2.154 -0.835 12.502 1.00 0.00 N flip ATOM 0 H GLN A 46 -2.067 -0.779 7.223 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.944 -2.208 8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.421 0.122 8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.069 0.718 8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.477 0.012 11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.851 -1.591 10.716 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.792 -1.566 12.815 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.322 -0.616 13.049 1.00 0.00 H new ATOM 691 N PHE A 47 -5.079 -0.463 6.313 1.00 0.00 N ATOM 692 CA PHE A 47 -6.258 -0.086 5.550 1.00 0.00 C ATOM 693 C PHE A 47 -6.417 -0.949 4.298 1.00 0.00 C ATOM 694 O PHE A 47 -6.757 -0.443 3.228 1.00 0.00 O ATOM 695 CB PHE A 47 -6.179 1.394 5.163 1.00 0.00 C ATOM 696 CG PHE A 47 -5.122 2.168 5.903 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.196 2.341 7.278 1.00 0.00 C ATOM 698 CD2 PHE A 47 -4.048 2.720 5.223 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.221 3.048 7.958 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.071 3.429 5.896 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.157 3.592 7.265 1.00 0.00 C ATOM 0 H PHE A 47 -4.196 -0.306 5.828 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.132 -0.250 6.180 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.986 1.469 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.148 1.858 5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.026 1.918 7.824 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.973 2.594 4.153 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.291 3.174 9.028 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.241 3.855 5.352 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.393 4.144 7.793 1.00 0.00 H new ATOM 711 N PHE A 48 -6.192 -2.255 4.441 1.00 0.00 N ATOM 712 CA PHE A 48 -6.332 -3.191 3.324 1.00 0.00 C ATOM 713 C PHE A 48 -6.822 -4.550 3.814 1.00 0.00 C ATOM 714 O PHE A 48 -6.898 -4.789 5.019 1.00 0.00 O ATOM 715 CB PHE A 48 -5.011 -3.347 2.563 1.00 0.00 C ATOM 716 CG PHE A 48 -4.528 -2.065 1.947 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.262 -1.442 0.955 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.348 -1.481 2.370 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.829 -0.258 0.394 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.907 -0.297 1.811 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.648 0.316 0.823 1.00 0.00 C ATOM 0 H PHE A 48 -5.912 -2.690 5.320 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.074 -2.779 2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.249 -3.725 3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.137 -4.094 1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.185 -1.887 0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.765 -1.955 3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.413 0.219 -0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.982 0.148 2.148 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.306 1.242 0.386 1.00 0.00 H new ATOM 731 N LEU A 49 -7.168 -5.418 2.859 1.00 0.00 N ATOM 732 CA LEU A 49 -7.674 -6.768 3.143 1.00 0.00 C ATOM 733 C LEU A 49 -7.283 -7.267 4.535 1.00 0.00 C ATOM 734 O LEU A 49 -6.182 -7.774 4.735 1.00 0.00 O ATOM 735 CB LEU A 49 -7.186 -7.772 2.084 1.00 0.00 C ATOM 736 CG LEU A 49 -5.873 -7.433 1.356 1.00 0.00 C ATOM 737 CD1 LEU A 49 -6.092 -6.343 0.321 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.780 -7.029 2.339 1.00 0.00 C ATOM 0 H LEU A 49 -7.106 -5.205 1.863 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.761 -6.697 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.066 -8.742 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.970 -7.883 1.335 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.542 -8.334 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.149 -6.122 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.822 -6.681 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.462 -5.443 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.866 -6.796 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.101 -6.151 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.590 -7.851 3.030 1.00 0.00 H new ATOM 750 N ARG A 50 -8.204 -7.126 5.488 1.00 0.00 N ATOM 751 CA ARG A 50 -7.972 -7.565 6.864 1.00 0.00 C ATOM 752 C ARG A 50 -6.733 -6.898 7.457 1.00 0.00 C ATOM 753 O ARG A 50 -5.602 -7.247 7.120 1.00 0.00 O ATOM 754 CB ARG A 50 -7.829 -9.086 6.927 1.00 0.00 C ATOM 755 CG ARG A 50 -8.613 -9.718 8.066 1.00 0.00 C ATOM 756 CD ARG A 50 -7.902 -10.942 8.619 1.00 0.00 C ATOM 757 NE ARG A 50 -8.830 -12.037 8.889 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.201 -12.931 7.978 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.725 -12.859 6.742 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.048 -13.898 8.301 1.00 0.00 N ATOM 0 H ARG A 50 -9.122 -6.709 5.331 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.837 -7.266 7.456 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.164 -9.515 5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.775 -9.340 7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.754 -8.987 8.862 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.605 -10.000 7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.146 -11.274 7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.380 -10.674 9.538 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.215 -12.120 9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.073 -12.117 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.011 -13.546 6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.417 -13.957 9.250 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.331 -14.583 7.600 1.00 0.00 H new ATOM 774 N SER A 51 -6.959 -5.937 8.340 1.00 0.00 N ATOM 775 CA SER A 51 -5.869 -5.211 8.981 1.00 0.00 C ATOM 776 C SER A 51 -5.349 -5.943 10.215 1.00 0.00 C ATOM 777 O SER A 51 -4.399 -5.491 10.856 1.00 0.00 O ATOM 778 CB SER A 51 -6.333 -3.808 9.372 1.00 0.00 C ATOM 779 OG SER A 51 -7.686 -3.816 9.791 1.00 0.00 O ATOM 0 H SER A 51 -7.890 -5.640 8.631 1.00 0.00 H new ATOM 0 HA SER A 51 -5.052 -5.142 8.263 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.703 -3.424 10.174 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.216 -3.133 8.524 1.00 0.00 H new ATOM 0 HG SER A 51 -7.958 -2.907 10.037 1.00 0.00 H new ATOM 785 N ASP A 52 -5.985 -7.057 10.564 1.00 0.00 N ATOM 786 CA ASP A 52 -5.588 -7.817 11.745 1.00 0.00 C ATOM 787 C ASP A 52 -4.404 -8.753 11.481 1.00 0.00 C ATOM 788 O ASP A 52 -3.301 -8.517 11.972 1.00 0.00 O ATOM 789 CB ASP A 52 -6.774 -8.632 12.263 1.00 0.00 C ATOM 790 CG ASP A 52 -7.195 -8.223 13.662 1.00 0.00 C ATOM 791 OD1 ASP A 52 -6.503 -7.379 14.269 1.00 0.00 O ATOM 792 OD2 ASP A 52 -8.218 -8.747 14.152 1.00 0.00 O ATOM 0 H ASP A 52 -6.772 -7.452 10.050 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.268 -7.092 12.493 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.618 -8.511 11.584 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.512 -9.690 12.261 1.00 0.00 H new ATOM 797 N SER A 53 -4.647 -9.833 10.739 1.00 0.00 N ATOM 798 CA SER A 53 -3.603 -10.820 10.457 1.00 0.00 C ATOM 799 C SER A 53 -2.872 -10.568 9.136 1.00 0.00 C ATOM 800 O SER A 53 -1.655 -10.721 9.058 1.00 0.00 O ATOM 801 CB SER A 53 -4.207 -12.223 10.444 1.00 0.00 C ATOM 802 OG SER A 53 -5.223 -12.336 9.464 1.00 0.00 O ATOM 0 H SER A 53 -5.554 -10.047 10.323 1.00 0.00 H new ATOM 0 HA SER A 53 -2.864 -10.727 11.253 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.425 -12.956 10.247 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.619 -12.453 11.427 1.00 0.00 H new ATOM 0 HG SER A 53 -5.590 -13.244 9.477 1.00 0.00 H new ATOM 808 N ASP A 54 -3.623 -10.227 8.096 1.00 0.00 N ATOM 809 CA ASP A 54 -3.049 -10.005 6.767 1.00 0.00 C ATOM 810 C ASP A 54 -1.911 -8.984 6.768 1.00 0.00 C ATOM 811 O ASP A 54 -1.065 -9.000 5.872 1.00 0.00 O ATOM 812 CB ASP A 54 -4.138 -9.558 5.793 1.00 0.00 C ATOM 813 CG ASP A 54 -3.870 -10.025 4.376 1.00 0.00 C ATOM 814 OD1 ASP A 54 -2.893 -9.538 3.765 1.00 0.00 O ATOM 815 OD2 ASP A 54 -4.633 -10.877 3.877 1.00 0.00 O ATOM 0 H ASP A 54 -4.634 -10.097 8.144 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.625 -10.957 6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.101 -9.946 6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.211 -8.471 5.807 1.00 0.00 H new ATOM 820 N VAL A 55 -1.886 -8.091 7.750 1.00 0.00 N ATOM 821 CA VAL A 55 -0.837 -7.071 7.812 1.00 0.00 C ATOM 822 C VAL A 55 0.440 -7.598 8.461 1.00 0.00 C ATOM 823 O VAL A 55 1.488 -6.960 8.389 1.00 0.00 O ATOM 824 CB VAL A 55 -1.304 -5.815 8.576 1.00 0.00 C ATOM 825 CG1 VAL A 55 -2.680 -5.383 8.100 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.306 -6.057 10.075 1.00 0.00 C ATOM 0 H VAL A 55 -2.569 -8.049 8.507 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.622 -6.803 6.778 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.598 -5.011 8.368 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.993 -4.496 8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.642 -5.155 7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.394 -6.188 8.273 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.639 -5.155 10.589 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.982 -6.879 10.310 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.298 -6.310 10.404 1.00 0.00 H new ATOM 836 N VAL A 56 0.345 -8.758 9.101 1.00 0.00 N ATOM 837 CA VAL A 56 1.496 -9.356 9.767 1.00 0.00 C ATOM 838 C VAL A 56 2.197 -10.374 8.871 1.00 0.00 C ATOM 839 O VAL A 56 3.405 -10.587 8.985 1.00 0.00 O ATOM 840 CB VAL A 56 1.088 -10.043 11.084 1.00 0.00 C ATOM 841 CG1 VAL A 56 2.271 -10.115 12.037 1.00 0.00 C ATOM 842 CG2 VAL A 56 -0.083 -9.316 11.729 1.00 0.00 C ATOM 0 H VAL A 56 -0.515 -9.302 9.173 1.00 0.00 H new ATOM 0 HA VAL A 56 2.186 -8.541 9.986 1.00 0.00 H new ATOM 0 HB VAL A 56 0.771 -11.061 10.857 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.964 -10.603 12.962 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.076 -10.686 11.575 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.622 -9.107 12.258 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.355 -9.817 12.658 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.201 -8.286 11.943 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.935 -9.324 11.049 1.00 0.00 H new ATOM 852 N GLU A 57 1.434 -10.999 7.984 1.00 0.00 N ATOM 853 CA GLU A 57 1.983 -11.999 7.070 1.00 0.00 C ATOM 854 C GLU A 57 2.456 -11.361 5.764 1.00 0.00 C ATOM 855 O GLU A 57 3.494 -11.732 5.221 1.00 0.00 O ATOM 856 CB GLU A 57 0.937 -13.078 6.772 1.00 0.00 C ATOM 857 CG GLU A 57 -0.486 -12.547 6.688 1.00 0.00 C ATOM 858 CD GLU A 57 -1.440 -13.286 7.607 1.00 0.00 C ATOM 859 OE1 GLU A 57 -0.961 -13.996 8.517 1.00 0.00 O ATOM 860 OE2 GLU A 57 -2.667 -13.155 7.416 1.00 0.00 O ATOM 0 H GLU A 57 0.433 -10.833 7.876 1.00 0.00 H new ATOM 0 HA GLU A 57 2.844 -12.456 7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.189 -13.565 5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.985 -13.841 7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.490 -11.487 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.840 -12.629 5.661 1.00 0.00 H new ATOM 867 N ALA A 58 1.673 -10.411 5.264 1.00 0.00 N ATOM 868 CA ALA A 58 1.987 -9.727 4.014 1.00 0.00 C ATOM 869 C ALA A 58 3.090 -8.696 4.198 1.00 0.00 C ATOM 870 O ALA A 58 3.706 -8.258 3.226 1.00 0.00 O ATOM 871 CB ALA A 58 0.738 -9.075 3.444 1.00 0.00 C ATOM 0 H ALA A 58 0.811 -10.095 5.708 1.00 0.00 H new ATOM 0 HA ALA A 58 2.352 -10.474 3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.986 -8.568 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.016 -9.839 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.348 -8.350 4.158 1.00 0.00 H new ATOM 1086 N PHE A 74 -0.754 -9.232 -0.697 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.899 -7.783 -0.770 1.00 0.00 C ATOM 1088 C PHE A 74 -0.287 -7.240 -2.060 1.00 0.00 C ATOM 1089 O PHE A 74 -0.821 -6.317 -2.663 1.00 0.00 O ATOM 1090 CB PHE A 74 -0.257 -7.111 0.451 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.491 -5.623 0.532 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.691 -5.059 0.106 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.494 -4.780 1.034 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -1.897 -3.697 0.178 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.290 -3.417 1.105 1.00 0.00 C ATOM 1096 CZ PHE A 74 -0.904 -2.875 0.676 1.00 0.00 C ATOM 0 HA PHE A 74 -1.964 -7.551 -0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.646 -7.578 1.355 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.817 -7.298 0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.470 -5.696 -0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.431 -5.197 1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.833 -3.274 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.065 -2.775 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.063 -1.808 0.729 1.00 0.00 H new ATOM 1106 N GLY A 75 0.829 -7.830 -2.481 1.00 0.00 N ATOM 1107 CA GLY A 75 1.482 -7.393 -3.705 1.00 0.00 C ATOM 1108 C GLY A 75 0.839 -7.985 -4.945 1.00 0.00 C ATOM 1109 O GLY A 75 1.520 -8.312 -5.916 1.00 0.00 O ATOM 0 H GLY A 75 1.292 -8.600 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.446 -6.305 -3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.534 -7.676 -3.674 1.00 0.00 H new ATOM 1113 N THR A 76 -0.482 -8.127 -4.901 1.00 0.00 N ATOM 1114 CA THR A 76 -1.247 -8.686 -6.009 1.00 0.00 C ATOM 1115 C THR A 76 -2.642 -8.069 -6.070 1.00 0.00 C ATOM 1116 O THR A 76 -3.070 -7.401 -5.129 1.00 0.00 O ATOM 1117 CB THR A 76 -1.377 -10.215 -5.888 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.451 -10.711 -4.914 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.116 -10.889 -7.228 1.00 0.00 C ATOM 0 H THR A 76 -1.051 -7.858 -4.098 1.00 0.00 H new ATOM 0 HA THR A 76 -0.704 -8.450 -6.924 1.00 0.00 H new ATOM 0 HB THR A 76 -2.395 -10.446 -5.573 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.542 -11.684 -4.842 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.214 -11.969 -7.117 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.839 -10.533 -7.962 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.108 -10.649 -7.566 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.353 -8.296 -7.172 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.702 -7.764 -7.313 1.00 0.00 C ATOM 1129 C VAL A 77 -5.602 -8.396 -6.255 1.00 0.00 C ATOM 1130 O VAL A 77 -5.985 -9.561 -6.361 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.279 -8.029 -8.723 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -5.021 -9.466 -9.150 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -6.766 -7.712 -8.769 1.00 0.00 C ATOM 0 H VAL A 77 -3.021 -8.838 -7.970 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.660 -6.684 -7.175 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.771 -7.369 -9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.435 -9.630 -10.145 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.947 -9.653 -9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.495 -10.146 -8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.149 -7.906 -9.771 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.294 -8.339 -8.051 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.922 -6.663 -8.518 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.899 -7.630 -5.209 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.711 -8.122 -4.102 1.00 0.00 C ATOM 1145 C VAL A 78 -7.857 -7.184 -3.756 1.00 0.00 C ATOM 1146 O VAL A 78 -7.930 -6.059 -4.249 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.854 -8.277 -2.834 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -5.077 -9.579 -2.853 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.913 -7.090 -2.697 1.00 0.00 C ATOM 0 H VAL A 78 -5.588 -6.664 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.115 -9.079 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.518 -8.303 -1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.481 -9.660 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.772 -10.417 -2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.419 -9.597 -3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.309 -7.206 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.260 -7.041 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.495 -6.171 -2.627 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.725 -7.652 -2.866 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.851 -6.863 -2.394 1.00 0.00 C ATOM 1161 C ASP A 79 -9.436 -6.108 -1.138 1.00 0.00 C ATOM 1162 O ASP A 79 -9.160 -6.717 -0.103 1.00 0.00 O ATOM 1163 CB ASP A 79 -11.054 -7.762 -2.100 1.00 0.00 C ATOM 1164 CG ASP A 79 -12.164 -7.596 -3.119 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -12.027 -8.134 -4.239 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -13.171 -6.932 -2.798 1.00 0.00 O ATOM 0 H ASP A 79 -8.667 -8.584 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.143 -6.153 -3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.731 -8.803 -2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.440 -7.534 -1.106 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.368 -4.786 -1.233 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.956 -3.966 -0.102 1.00 0.00 C ATOM 1173 C ILE A 80 -10.152 -3.366 0.632 1.00 0.00 C ATOM 1174 O ILE A 80 -11.285 -3.422 0.157 1.00 0.00 O ATOM 1175 CB ILE A 80 -8.019 -2.829 -0.551 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.775 -1.806 -1.401 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.834 -3.394 -1.322 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.117 -0.444 -1.433 1.00 0.00 C ATOM 0 H ILE A 80 -9.592 -4.261 -2.078 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.423 -4.627 0.581 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.645 -2.321 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.860 -2.184 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.789 -1.702 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.180 -2.579 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.279 -4.081 -0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.193 -3.927 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.707 0.230 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.056 -0.045 -0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.113 -0.535 -1.848 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.874 -2.785 1.796 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.902 -2.153 2.616 1.00 0.00 C ATOM 1192 C ILE A 81 -10.367 -0.863 3.222 1.00 0.00 C ATOM 1193 O ILE A 81 -9.226 -0.810 3.676 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.383 -3.084 3.749 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.298 -4.101 4.109 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.667 -3.791 3.345 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.088 -4.256 5.599 1.00 0.00 C ATOM 0 H ILE A 81 -8.936 -2.739 2.195 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.750 -1.938 1.966 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.586 -2.477 4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.563 -5.069 3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.359 -3.797 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.993 -4.444 4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.441 -3.051 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -12.489 -4.386 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.305 -4.992 5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.792 -3.298 6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.015 -4.590 6.064 1.00 0.00 H new ATOM 1209 N SER A 82 -11.190 0.179 3.226 1.00 0.00 N ATOM 1210 CA SER A 82 -10.777 1.465 3.778 1.00 0.00 C ATOM 1211 C SER A 82 -11.106 1.561 5.261 1.00 0.00 C ATOM 1212 O SER A 82 -11.809 0.712 5.808 1.00 0.00 O ATOM 1213 CB SER A 82 -11.446 2.611 3.016 1.00 0.00 C ATOM 1214 OG SER A 82 -12.384 3.292 3.834 1.00 0.00 O ATOM 0 H SER A 82 -12.140 0.160 2.856 1.00 0.00 H new ATOM 0 HA SER A 82 -9.696 1.545 3.665 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.687 3.312 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.948 2.219 2.131 1.00 0.00 H new ATOM 0 HG SER A 82 -12.796 4.020 3.323 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.573 2.593 5.909 1.00 0.00 N ATOM 1221 CA ARG A 83 -10.791 2.809 7.339 1.00 0.00 C ATOM 1222 C ARG A 83 -12.265 2.656 7.728 1.00 0.00 C ATOM 1223 O ARG A 83 -12.577 2.203 8.830 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.295 4.202 7.744 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.283 5.319 7.436 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.599 6.506 6.781 1.00 0.00 C ATOM 1227 NE ARG A 83 -11.099 7.779 7.298 1.00 0.00 N ATOM 1228 CZ ARG A 83 -10.547 8.428 8.320 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -9.475 7.932 8.923 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -11.066 9.575 8.736 1.00 0.00 N ATOM 0 H ARG A 83 -9.984 3.297 5.465 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.225 2.044 7.871 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.080 4.204 8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.356 4.407 7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.066 4.942 6.779 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.768 5.641 8.358 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.524 6.443 6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.756 6.466 5.703 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.917 8.193 6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.072 7.051 8.604 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.054 8.431 9.706 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.889 9.960 8.273 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.642 10.072 9.520 1.00 0.00 H new ATOM 1244 N SER A 84 -13.167 3.046 6.830 1.00 0.00 N ATOM 1245 CA SER A 84 -14.602 2.962 7.099 1.00 0.00 C ATOM 1246 C SER A 84 -15.176 1.618 6.665 1.00 0.00 C ATOM 1247 O SER A 84 -16.262 1.230 7.099 1.00 0.00 O ATOM 1248 CB SER A 84 -15.340 4.095 6.386 1.00 0.00 C ATOM 1249 OG SER A 84 -15.335 3.904 4.982 1.00 0.00 O ATOM 0 H SER A 84 -12.931 3.422 5.912 1.00 0.00 H new ATOM 0 HA SER A 84 -14.742 3.058 8.176 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.368 4.146 6.745 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.870 5.048 6.628 1.00 0.00 H new ATOM 0 HG SER A 84 -14.413 3.787 4.671 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.448 0.914 5.807 1.00 0.00 N ATOM 1256 CA GLY A 85 -14.910 -0.377 5.330 1.00 0.00 C ATOM 1257 C GLY A 85 -15.479 -0.301 3.932 1.00 0.00 C ATOM 1258 O GLY A 85 -16.631 0.092 3.743 1.00 0.00 O ATOM 0 H GLY A 85 -13.547 1.213 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.082 -1.085 5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.671 -0.762 6.009 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.671 -0.679 2.948 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.099 -0.652 1.557 1.00 0.00 C ATOM 1264 C GLU A 86 -14.473 -1.803 0.776 1.00 0.00 C ATOM 1265 O GLU A 86 -13.449 -1.632 0.115 1.00 0.00 O ATOM 1266 CB GLU A 86 -14.726 0.683 0.904 1.00 0.00 C ATOM 1267 CG GLU A 86 -15.063 1.904 1.744 1.00 0.00 C ATOM 1268 CD GLU A 86 -15.989 2.867 1.028 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -15.967 2.896 -0.221 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -16.738 3.594 1.713 1.00 0.00 O ATOM 0 H GLU A 86 -13.716 -1.008 3.089 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.183 -0.764 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.657 0.685 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.240 0.762 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.529 1.582 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.142 2.422 2.011 1.00 0.00 H new ATOM 1277 N LYS A 87 -15.095 -2.976 0.855 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.594 -4.152 0.154 1.00 0.00 C ATOM 1279 C LYS A 87 -14.633 -3.938 -1.356 1.00 0.00 C ATOM 1280 O LYS A 87 -15.668 -4.128 -1.994 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.415 -5.388 0.531 1.00 0.00 C ATOM 1282 CG LYS A 87 -15.297 -5.772 1.996 1.00 0.00 C ATOM 1283 CD LYS A 87 -16.340 -5.063 2.845 1.00 0.00 C ATOM 1284 CE LYS A 87 -16.298 -5.535 4.288 1.00 0.00 C ATOM 1285 NZ LYS A 87 -17.028 -6.821 4.472 1.00 0.00 N ATOM 0 H LYS A 87 -15.945 -3.136 1.396 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.558 -4.312 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.463 -5.203 0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.094 -6.229 -0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.414 -6.851 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.300 -5.522 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.170 -3.987 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.332 -5.244 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.261 -5.658 4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.736 -4.773 4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.976 -7.110 5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.024 -6.697 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.594 -7.555 3.876 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.497 -3.537 -1.917 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.400 -3.291 -3.351 1.00 0.00 C ATOM 1301 C ILE A 88 -12.173 -3.976 -3.953 1.00 0.00 C ATOM 1302 O ILE A 88 -11.088 -3.944 -3.372 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.335 -1.783 -3.660 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.204 -1.122 -2.870 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -14.668 -1.120 -3.344 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -11.598 0.075 -3.567 1.00 0.00 C ATOM 0 H ILE A 88 -12.632 -3.376 -1.401 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.300 -3.710 -3.801 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.130 -1.655 -4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -12.585 -0.811 -1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.422 -1.859 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -14.607 -0.055 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.452 -1.573 -3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -14.901 -1.256 -2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -10.803 0.492 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.186 -0.233 -4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.367 0.830 -3.728 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.329 -4.603 -5.134 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.227 -5.291 -5.814 1.00 0.00 C ATOM 1320 C PRO A 89 -10.299 -4.314 -6.524 1.00 0.00 C ATOM 1321 O PRO A 89 -10.754 -3.442 -7.265 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.950 -6.176 -6.826 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.194 -5.422 -7.157 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.587 -4.687 -5.901 1.00 0.00 C ATOM 0 HA PRO A 89 -10.588 -5.842 -5.124 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.340 -6.345 -7.713 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.179 -7.155 -6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.020 -4.726 -7.977 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.986 -6.099 -7.476 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.986 -3.698 -6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.358 -5.224 -5.348 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.996 -4.465 -6.301 1.00 0.00 N ATOM 1333 CA VAL A 90 -8.008 -3.594 -6.925 1.00 0.00 C ATOM 1334 C VAL A 90 -6.699 -4.337 -7.167 1.00 0.00 C ATOM 1335 O VAL A 90 -6.553 -5.497 -6.788 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.719 -2.348 -6.065 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -8.935 -1.437 -6.001 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -7.275 -2.753 -4.669 1.00 0.00 C ATOM 0 H VAL A 90 -8.601 -5.183 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.432 -3.276 -7.877 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.908 -1.792 -6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.705 -0.565 -5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.200 -1.113 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.773 -1.979 -5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.076 -1.860 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.062 -3.336 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.368 -3.354 -4.736 1.00 0.00 H new ATOM 1348 N SER A 91 -5.751 -3.650 -7.791 1.00 0.00 N ATOM 1349 CA SER A 91 -4.444 -4.229 -8.082 1.00 0.00 C ATOM 1350 C SER A 91 -3.364 -3.554 -7.246 1.00 0.00 C ATOM 1351 O SER A 91 -3.268 -2.328 -7.217 1.00 0.00 O ATOM 1352 CB SER A 91 -4.117 -4.087 -9.569 1.00 0.00 C ATOM 1353 OG SER A 91 -5.249 -3.653 -10.302 1.00 0.00 O ATOM 0 H SER A 91 -5.863 -2.687 -8.107 1.00 0.00 H new ATOM 0 HA SER A 91 -4.474 -5.288 -7.827 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.302 -3.375 -9.699 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.771 -5.043 -9.961 1.00 0.00 H new ATOM 0 HG SER A 91 -5.013 -3.569 -11.249 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.553 -4.357 -6.562 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.488 -3.816 -5.727 1.00 0.00 C ATOM 1361 C VAL A 92 -0.139 -4.447 -6.056 1.00 0.00 C ATOM 1362 O VAL A 92 -0.036 -5.654 -6.262 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.787 -4.025 -4.233 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.644 -3.496 -3.374 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.101 -3.359 -3.852 1.00 0.00 C ATOM 0 H VAL A 92 -2.613 -5.375 -6.570 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.441 -2.748 -5.939 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.881 -5.095 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.877 -3.654 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.275 -4.025 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.512 -2.430 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.295 -3.518 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.039 -2.290 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.912 -3.792 -4.438 1.00 0.00 H new ATOM 1375 N TRP A 93 0.895 -3.611 -6.083 1.00 0.00 N ATOM 1376 CA TRP A 93 2.251 -4.069 -6.362 1.00 0.00 C ATOM 1377 C TRP A 93 3.241 -3.370 -5.436 1.00 0.00 C ATOM 1378 O TRP A 93 3.413 -2.152 -5.500 1.00 0.00 O ATOM 1379 CB TRP A 93 2.650 -3.842 -7.832 1.00 0.00 C ATOM 1380 CG TRP A 93 1.776 -2.887 -8.582 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.433 -2.989 -8.816 1.00 0.00 C ATOM 1382 CD2 TRP A 93 2.203 -1.679 -9.214 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.003 -1.892 -9.518 1.00 0.00 N ATOM 1384 CE2 TRP A 93 1.065 -1.079 -9.777 1.00 0.00 C ATOM 1385 CE3 TRP A 93 3.440 -1.034 -9.339 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 1.120 0.129 -10.453 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 3.492 0.171 -10.013 1.00 0.00 C ATOM 1388 CH2 TRP A 93 2.336 0.742 -10.558 1.00 0.00 C ATOM 0 H TRP A 93 0.818 -2.608 -5.914 1.00 0.00 H new ATOM 0 HA TRP A 93 2.276 -5.143 -6.180 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.675 -3.474 -7.862 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.641 -4.802 -8.348 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.192 -3.810 -8.496 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -0.967 -1.713 -9.800 1.00 0.00 H new ATOM 0 HE3 TRP A 93 4.334 -1.469 -8.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.233 0.570 -10.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 4.438 0.680 -10.121 1.00 0.00 H new ATOM 0 HH2 TRP A 93 2.407 1.689 -11.073 1.00 0.00 H new ATOM 1399 N MET A 94 3.880 -4.149 -4.568 1.00 0.00 N ATOM 1400 CA MET A 94 4.844 -3.608 -3.615 1.00 0.00 C ATOM 1401 C MET A 94 6.273 -3.771 -4.122 1.00 0.00 C ATOM 1402 O MET A 94 6.630 -4.803 -4.690 1.00 0.00 O ATOM 1403 CB MET A 94 4.690 -4.308 -2.261 1.00 0.00 C ATOM 1404 CG MET A 94 4.972 -3.402 -1.074 1.00 0.00 C ATOM 1405 SD MET A 94 4.737 -4.239 0.508 1.00 0.00 S ATOM 1406 CE MET A 94 4.816 -2.854 1.642 1.00 0.00 C ATOM 0 H MET A 94 3.747 -5.158 -4.505 1.00 0.00 H new ATOM 0 HA MET A 94 4.643 -2.543 -3.499 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.676 -4.699 -2.176 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.365 -5.163 -2.224 1.00 0.00 H new ATOM 0 HG2 MET A 94 5.996 -3.034 -1.138 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.317 -2.532 -1.122 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.701 -2.949 2.271 1.00 0.00 H new ATOM 0 HE2 MET A 94 4.870 -1.924 1.077 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.925 -2.846 2.269 1.00 0.00 H new ATOM 1416 N LYS A 95 7.088 -2.740 -3.911 1.00 0.00 N ATOM 1417 CA LYS A 95 8.482 -2.756 -4.343 1.00 0.00 C ATOM 1418 C LYS A 95 9.387 -2.145 -3.276 1.00 0.00 C ATOM 1419 O LYS A 95 9.259 -0.967 -2.940 1.00 0.00 O ATOM 1420 CB LYS A 95 8.643 -1.997 -5.662 1.00 0.00 C ATOM 1421 CG LYS A 95 7.576 -0.938 -5.894 1.00 0.00 C ATOM 1422 CD LYS A 95 7.163 -0.873 -7.354 1.00 0.00 C ATOM 1423 CE LYS A 95 6.356 0.380 -7.648 1.00 0.00 C ATOM 1424 NZ LYS A 95 5.094 0.425 -6.856 1.00 0.00 N ATOM 0 H LYS A 95 6.805 -1.880 -3.441 1.00 0.00 H new ATOM 0 HA LYS A 95 8.776 -3.794 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.624 -1.522 -5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.620 -2.710 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.704 -1.158 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.953 0.035 -5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.051 -0.892 -7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.574 -1.754 -7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.958 1.261 -7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.119 0.419 -8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.692 1.383 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.412 -0.254 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.296 0.178 -5.866 1.00 0.00 H new ATOM 1438 N ARG A 96 10.294 -2.956 -2.743 1.00 0.00 N ATOM 1439 CA ARG A 96 11.216 -2.508 -1.707 1.00 0.00 C ATOM 1440 C ARG A 96 12.429 -1.798 -2.304 1.00 0.00 C ATOM 1441 O ARG A 96 13.557 -1.991 -1.845 1.00 0.00 O ATOM 1442 CB ARG A 96 11.676 -3.695 -0.861 1.00 0.00 C ATOM 1443 CG ARG A 96 12.227 -4.848 -1.682 1.00 0.00 C ATOM 1444 CD ARG A 96 11.433 -6.125 -1.451 1.00 0.00 C ATOM 1445 NE ARG A 96 12.283 -7.312 -1.488 1.00 0.00 N ATOM 1446 CZ ARG A 96 12.365 -8.129 -2.534 1.00 0.00 C ATOM 1447 NH1 ARG A 96 11.657 -7.885 -3.629 1.00 0.00 N ATOM 1448 NH2 ARG A 96 13.161 -9.190 -2.487 1.00 0.00 N ATOM 0 H ARG A 96 10.410 -3.933 -3.014 1.00 0.00 H new ATOM 0 HA ARG A 96 10.684 -1.796 -1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.442 -3.358 -0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.837 -4.053 -0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.201 -4.588 -2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.272 -5.016 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.930 -6.069 -0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.656 -6.211 -2.211 1.00 0.00 H new ATOM 0 HE ARG A 96 12.846 -7.527 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.047 -7.068 -3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.723 -8.514 -4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 96 13.710 -9.379 -1.648 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.224 -9.816 -3.289 1.00 0.00 H new ATOM 1462 N MET A 97 12.198 -0.972 -3.316 1.00 0.00 N ATOM 1463 CA MET A 97 13.281 -0.231 -3.955 1.00 0.00 C ATOM 1464 C MET A 97 13.802 0.853 -3.017 1.00 0.00 C ATOM 1465 O MET A 97 13.403 0.920 -1.857 1.00 0.00 O ATOM 1466 CB MET A 97 12.802 0.395 -5.267 1.00 0.00 C ATOM 1467 CG MET A 97 11.889 1.595 -5.074 1.00 0.00 C ATOM 1468 SD MET A 97 11.696 2.569 -6.578 1.00 0.00 S ATOM 1469 CE MET A 97 9.956 2.982 -6.492 1.00 0.00 C ATOM 0 H MET A 97 11.274 -0.798 -3.712 1.00 0.00 H new ATOM 0 HA MET A 97 14.091 -0.926 -4.177 1.00 0.00 H new ATOM 0 HB2 MET A 97 13.670 0.700 -5.852 1.00 0.00 H new ATOM 0 HB3 MET A 97 12.275 -0.361 -5.849 1.00 0.00 H new ATOM 0 HG2 MET A 97 10.910 1.252 -4.740 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.291 2.229 -4.284 1.00 0.00 H new ATOM 0 HE1 MET A 97 9.662 3.509 -7.399 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.369 2.068 -6.397 1.00 0.00 H new ATOM 0 HE3 MET A 97 9.776 3.620 -5.627 1.00 0.00 H new ATOM 1479 N ARG A 98 14.691 1.703 -3.521 1.00 0.00 N ATOM 1480 CA ARG A 98 15.255 2.778 -2.715 1.00 0.00 C ATOM 1481 C ARG A 98 14.747 4.136 -3.187 1.00 0.00 C ATOM 1482 O ARG A 98 14.819 4.459 -4.374 1.00 0.00 O ATOM 1483 CB ARG A 98 16.781 2.743 -2.776 1.00 0.00 C ATOM 1484 CG ARG A 98 17.375 1.408 -2.358 1.00 0.00 C ATOM 1485 CD ARG A 98 18.494 1.587 -1.346 1.00 0.00 C ATOM 1486 NE ARG A 98 19.810 1.565 -1.975 1.00 0.00 N ATOM 1487 CZ ARG A 98 20.862 0.935 -1.464 1.00 0.00 C ATOM 1488 NH1 ARG A 98 20.757 0.286 -0.312 1.00 0.00 N ATOM 1489 NH2 ARG A 98 22.025 0.954 -2.104 1.00 0.00 N ATOM 0 H ARG A 98 15.035 1.668 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 98 14.936 2.629 -1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.101 2.972 -3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.180 3.527 -2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.594 0.779 -1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.758 0.888 -3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.359 2.532 -0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.436 0.796 -0.598 1.00 0.00 H new ATOM 0 HE ARG A 98 19.929 2.062 -2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.866 0.269 0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.567 -0.197 0.077 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.112 1.453 -2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.832 0.470 -1.710 1.00 0.00 H new ATOM 1503 N GLN A 99 14.234 4.928 -2.251 1.00 0.00 N ATOM 1504 CA GLN A 99 13.715 6.253 -2.569 1.00 0.00 C ATOM 1505 C GLN A 99 14.630 7.344 -2.024 1.00 0.00 C ATOM 1506 O GLN A 99 14.916 8.327 -2.706 1.00 0.00 O ATOM 1507 CB GLN A 99 12.304 6.420 -2.001 1.00 0.00 C ATOM 1508 CG GLN A 99 11.485 7.486 -2.710 1.00 0.00 C ATOM 1509 CD GLN A 99 10.371 6.902 -3.556 1.00 0.00 C ATOM 1510 OE1 GLN A 99 9.168 6.848 -2.995 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.587 6.503 -4.700 1.00 0.00 N flip ATOM 0 H GLN A 99 14.167 4.675 -1.265 1.00 0.00 H new ATOM 0 HA GLN A 99 13.676 6.349 -3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.780 5.467 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.375 6.672 -0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.057 8.162 -1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.142 8.082 -3.343 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.527 6.563 -5.092 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.826 6.112 -5.256 1.00 0.00 H new ATOM 1520 N GLU A 100 15.087 7.162 -0.787 1.00 0.00 N ATOM 1521 CA GLU A 100 15.972 8.129 -0.149 1.00 0.00 C ATOM 1522 C GLU A 100 17.347 7.519 0.113 1.00 0.00 C ATOM 1523 O GLU A 100 18.253 7.634 -0.711 1.00 0.00 O ATOM 1524 CB GLU A 100 15.357 8.628 1.160 1.00 0.00 C ATOM 1525 CG GLU A 100 15.094 10.126 1.173 1.00 0.00 C ATOM 1526 CD GLU A 100 14.076 10.531 2.225 1.00 0.00 C ATOM 1527 OE1 GLU A 100 13.158 9.730 2.501 1.00 0.00 O ATOM 1528 OE2 GLU A 100 14.198 11.647 2.768 1.00 0.00 O ATOM 0 H GLU A 100 14.858 6.354 -0.208 1.00 0.00 H new ATOM 0 HA GLU A 100 16.097 8.974 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.419 8.101 1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 100 16.024 8.377 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.030 10.654 1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.739 10.437 0.191 1.00 0.00 H new ATOM 1535 N ARG A 101 17.494 6.867 1.263 1.00 0.00 N ATOM 1536 CA ARG A 101 18.758 6.237 1.630 1.00 0.00 C ATOM 1537 C ARG A 101 18.513 4.875 2.269 1.00 0.00 C ATOM 1538 O ARG A 101 19.452 4.180 2.659 1.00 0.00 O ATOM 1539 CB ARG A 101 19.540 7.133 2.592 1.00 0.00 C ATOM 1540 CG ARG A 101 20.372 8.194 1.890 1.00 0.00 C ATOM 1541 CD ARG A 101 21.489 8.706 2.783 1.00 0.00 C ATOM 1542 NE ARG A 101 22.219 9.812 2.169 1.00 0.00 N ATOM 1543 CZ ARG A 101 23.533 9.807 1.961 1.00 0.00 C ATOM 1544 NH1 ARG A 101 24.260 8.758 2.322 1.00 0.00 N ATOM 1545 NH2 ARG A 101 24.119 10.851 1.392 1.00 0.00 N ATOM 0 H ARG A 101 16.753 6.761 1.956 1.00 0.00 H new ATOM 0 HA ARG A 101 19.345 6.096 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 101 18.841 7.621 3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.196 6.512 3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 101 20.797 7.779 0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 101 19.731 9.025 1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 101 21.071 9.032 3.735 1.00 0.00 H new ATOM 0 HD3 ARG A 101 22.181 7.892 3.001 1.00 0.00 H new ATOM 0 HE ARG A 101 21.691 10.636 1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 101 23.812 7.953 2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 101 25.267 8.756 2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 101 23.562 11.659 1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 101 25.127 10.846 1.233 1.00 0.00 H new ATOM 1559 N ARG A 102 17.241 4.502 2.370 1.00 0.00 N ATOM 1560 CA ARG A 102 16.859 3.224 2.958 1.00 0.00 C ATOM 1561 C ARG A 102 15.814 2.532 2.088 1.00 0.00 C ATOM 1562 O ARG A 102 15.011 3.192 1.429 1.00 0.00 O ATOM 1563 CB ARG A 102 16.328 3.441 4.387 1.00 0.00 C ATOM 1564 CG ARG A 102 15.011 2.734 4.698 1.00 0.00 C ATOM 1565 CD ARG A 102 13.991 3.693 5.292 1.00 0.00 C ATOM 1566 NE ARG A 102 14.609 4.670 6.186 1.00 0.00 N ATOM 1567 CZ ARG A 102 14.531 4.610 7.511 1.00 0.00 C ATOM 1568 NH1 ARG A 102 13.864 3.626 8.097 1.00 0.00 N ATOM 1569 NH2 ARG A 102 15.123 5.537 8.254 1.00 0.00 N ATOM 0 H ARG A 102 16.456 5.069 2.051 1.00 0.00 H new ATOM 0 HA ARG A 102 17.736 2.579 3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.083 3.099 5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 102 16.197 4.510 4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.609 2.293 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.192 1.916 5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.474 4.215 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.238 3.127 5.840 1.00 0.00 H new ATOM 0 HE ARG A 102 15.130 5.442 5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 102 13.408 2.911 7.530 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.807 3.584 9.115 1.00 0.00 H new ATOM 0 HH21 ARG A 102 15.638 6.296 7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 102 15.063 5.490 9.271 1.00 0.00 H new ATOM 1583 N LEU A 103 15.831 1.202 2.089 1.00 0.00 N ATOM 1584 CA LEU A 103 14.881 0.427 1.298 1.00 0.00 C ATOM 1585 C LEU A 103 13.454 0.867 1.596 1.00 0.00 C ATOM 1586 O LEU A 103 12.902 0.544 2.648 1.00 0.00 O ATOM 1587 CB LEU A 103 15.035 -1.066 1.590 1.00 0.00 C ATOM 1588 CG LEU A 103 16.470 -1.590 1.560 1.00 0.00 C ATOM 1589 CD1 LEU A 103 16.710 -2.554 2.711 1.00 0.00 C ATOM 1590 CD2 LEU A 103 16.757 -2.262 0.228 1.00 0.00 C ATOM 0 H LEU A 103 16.490 0.640 2.627 1.00 0.00 H new ATOM 0 HA LEU A 103 15.091 0.604 0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.610 -1.274 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.446 -1.625 0.863 1.00 0.00 H new ATOM 0 HG LEU A 103 17.151 -0.747 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.737 -2.917 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 103 16.541 -2.040 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.024 -3.397 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 103 17.783 -2.631 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 103 16.070 -3.096 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 103 16.624 -1.542 -0.579 1.00 0.00 H new ATOM 1602 N CYS A 104 12.865 1.614 0.670 1.00 0.00 N ATOM 1603 CA CYS A 104 11.507 2.106 0.839 1.00 0.00 C ATOM 1604 C CYS A 104 10.520 1.290 0.010 1.00 0.00 C ATOM 1605 O CYS A 104 10.669 1.160 -1.206 1.00 0.00 O ATOM 1606 CB CYS A 104 11.428 3.585 0.451 1.00 0.00 C ATOM 1607 SG CYS A 104 9.955 4.030 -0.499 1.00 0.00 S ATOM 0 H CYS A 104 13.308 1.891 -0.206 1.00 0.00 H new ATOM 0 HA CYS A 104 11.236 1.999 1.889 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.456 4.188 1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 104 12.313 3.843 -0.131 1.00 0.00 H new ATOM 0 HG CYS A 104 8.891 3.665 0.153 1.00 0.00 H new ATOM 1613 N CYS A 105 9.509 0.750 0.680 1.00 0.00 N ATOM 1614 CA CYS A 105 8.486 -0.048 0.019 1.00 0.00 C ATOM 1615 C CYS A 105 7.368 0.844 -0.516 1.00 0.00 C ATOM 1616 O CYS A 105 6.774 1.622 0.229 1.00 0.00 O ATOM 1617 CB CYS A 105 7.912 -1.076 0.996 1.00 0.00 C ATOM 1618 SG CYS A 105 7.949 -2.776 0.383 1.00 0.00 S ATOM 0 H CYS A 105 9.376 0.852 1.686 1.00 0.00 H new ATOM 0 HA CYS A 105 8.944 -0.569 -0.821 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.471 -1.026 1.930 1.00 0.00 H new ATOM 0 HB3 CYS A 105 6.881 -0.806 1.227 1.00 0.00 H new ATOM 0 HG CYS A 105 7.544 -3.583 1.318 1.00 0.00 H new ATOM 1624 N VAL A 106 7.081 0.720 -1.807 1.00 0.00 N ATOM 1625 CA VAL A 106 6.029 1.508 -2.439 1.00 0.00 C ATOM 1626 C VAL A 106 4.836 0.628 -2.801 1.00 0.00 C ATOM 1627 O VAL A 106 5.000 -0.456 -3.360 1.00 0.00 O ATOM 1628 CB VAL A 106 6.543 2.218 -3.708 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.387 2.809 -4.507 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.551 3.296 -3.344 1.00 0.00 C ATOM 0 H VAL A 106 7.563 0.080 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 106 5.715 2.263 -1.718 1.00 0.00 H new ATOM 0 HB VAL A 106 7.041 1.478 -4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.775 3.304 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.705 2.012 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.853 3.534 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.903 3.786 -4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.078 4.032 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.396 2.844 -2.825 1.00 0.00 H new ATOM 1640 N VAL A 107 3.636 1.103 -2.481 1.00 0.00 N ATOM 1641 CA VAL A 107 2.417 0.363 -2.777 1.00 0.00 C ATOM 1642 C VAL A 107 1.456 1.219 -3.595 1.00 0.00 C ATOM 1643 O VAL A 107 1.192 2.373 -3.258 1.00 0.00 O ATOM 1644 CB VAL A 107 1.729 -0.121 -1.475 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.236 0.183 -1.474 1.00 0.00 C ATOM 1646 CG2 VAL A 107 1.971 -1.609 -1.277 1.00 0.00 C ATOM 0 H VAL A 107 3.483 1.998 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 107 2.691 -0.514 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 107 2.171 0.427 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.207 -0.173 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.084 1.259 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.238 -0.319 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.483 -1.938 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.561 -2.160 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.042 -1.797 -1.206 1.00 0.00 H new ATOM 1656 N VAL A 108 0.949 0.651 -4.682 1.00 0.00 N ATOM 1657 CA VAL A 108 0.031 1.358 -5.560 1.00 0.00 C ATOM 1658 C VAL A 108 -1.278 0.586 -5.706 1.00 0.00 C ATOM 1659 O VAL A 108 -1.276 -0.607 -6.016 1.00 0.00 O ATOM 1660 CB VAL A 108 0.672 1.573 -6.947 1.00 0.00 C ATOM 1661 CG1 VAL A 108 1.808 0.598 -7.134 1.00 0.00 C ATOM 1662 CG2 VAL A 108 -0.357 1.457 -8.061 1.00 0.00 C ATOM 0 H VAL A 108 1.161 -0.302 -4.976 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.185 2.329 -5.115 1.00 0.00 H new ATOM 0 HB VAL A 108 1.071 2.586 -6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.261 0.750 -8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.557 0.760 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.428 -0.421 -7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.130 1.614 -9.024 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.806 0.464 -8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.133 2.210 -7.920 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.393 1.270 -5.475 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.704 0.650 -5.573 1.00 0.00 C ATOM 1674 C LEU A 109 -4.455 1.153 -6.799 1.00 0.00 C ATOM 1675 O LEU A 109 -4.825 2.324 -6.880 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.495 0.944 -4.307 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.623 1.197 -3.080 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.386 1.981 -2.029 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -3.115 -0.119 -2.515 1.00 0.00 C ATOM 0 H LEU A 109 -2.412 2.257 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.578 -0.427 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.126 1.816 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.160 0.105 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.764 1.795 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.745 2.149 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.695 2.940 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.267 1.417 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.494 0.076 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.962 -0.743 -2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.524 -0.636 -3.271 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.671 0.257 -7.752 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.369 0.598 -8.982 1.00 0.00 C ATOM 1693 C GLU A 110 -6.695 -0.157 -9.080 1.00 0.00 C ATOM 1694 O GLU A 110 -6.709 -1.384 -9.176 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.492 0.268 -10.194 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.660 1.237 -11.353 1.00 0.00 C ATOM 1697 CD GLU A 110 -4.110 0.686 -12.654 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -2.899 0.853 -12.906 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -4.893 0.090 -13.424 1.00 0.00 O ATOM 0 H GLU A 110 -4.371 -0.716 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.579 1.668 -8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.447 0.264 -9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.727 -0.739 -10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.718 1.469 -11.478 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.155 2.173 -11.116 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.830 0.567 -9.057 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.157 -0.051 -9.143 1.00 0.00 C ATOM 1708 C PRO A 111 -9.320 -0.888 -10.409 1.00 0.00 C ATOM 1709 O PRO A 111 -8.957 -0.452 -11.500 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.114 1.145 -9.168 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.344 2.268 -8.564 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.910 2.034 -8.945 1.00 0.00 C ATOM 0 HA PRO A 111 -9.339 -0.738 -8.316 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.424 1.381 -10.186 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.020 0.937 -8.599 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.696 3.229 -8.939 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.463 2.285 -7.481 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.657 2.525 -9.885 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.224 2.419 -8.190 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.867 -2.090 -10.257 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.076 -2.982 -11.394 1.00 0.00 C ATOM 1722 C VAL A 112 -11.351 -2.623 -12.145 1.00 0.00 C ATOM 1723 O VAL A 112 -12.255 -1.996 -11.591 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.148 -4.457 -10.947 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -8.882 -4.856 -10.205 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -11.378 -4.696 -10.085 1.00 0.00 C ATOM 0 H VAL A 112 -10.173 -2.469 -9.361 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.221 -2.856 -12.058 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.230 -5.081 -11.837 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.953 -5.900 -9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.021 -4.728 -10.861 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.763 -4.226 -9.323 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.411 -5.742 -9.780 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.331 -4.061 -9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.275 -4.456 -10.656 1.00 0.00 H new