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 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 97 MET CE :methyl 157:sc= 0 (180deg=-0.69) USER MOD Set 2.1: A 94 MET CE :methyl -110:sc= -3.19! (180deg=-5.38!) USER MOD Set 2.2: A 105 CYS SG : rot -123:sc= -1.53! USER MOD Set 3.1: A 13 THR OG1 : rot -152:sc= 0.066 USER MOD Set 3.2: A 99 GLN :FLIP amide:sc= -1.38 F(o=-4.1!,f=-1.3) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -31:sc= 0.831 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0849 USER MOD Single : A 25 ASN : amide:sc= -4.04! C(o=-4!,f=-8.8!) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc=-0.00851 (180deg=-0.101) USER MOD Single : A 29 CYS SG : rot 83:sc= -5.7! USER MOD Single : A 34 TYR OH : rot 95:sc= 0.794 USER MOD Single : A 35 SER OG : rot -114:sc= 0.0295 USER MOD Single : A 36 SER OG : rot -98:sc= 0.28 USER MOD Single : A 37 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.024) USER MOD Single : A 42 GLN : amide:sc= 0.00528 X(o=0.0053,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.022) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.99! USER MOD Single : A 46 GLN :FLIP amide:sc= -0.917 F(o=-2.1!,f=-0.92) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0882 USER MOD Single : A 53 SER OG : rot -160:sc= -1.55! USER MOD Single : A 76 THR OG1 : rot 180:sc=-0.00549 USER MOD Single : A 82 SER OG : rot 120:sc= 0.198 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -77:sc= -0.379 USER MOD Single : A 104 CYS SG : rot 53:sc= 0.463 USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -4.080 8.107 -8.646 1.00 0.00 N ATOM 113 CA LYS A 9 -2.809 7.405 -8.500 1.00 0.00 C ATOM 114 C LYS A 9 -2.514 7.110 -7.031 1.00 0.00 C ATOM 115 O LYS A 9 -2.026 7.972 -6.293 1.00 0.00 O ATOM 116 CB LYS A 9 -1.672 8.226 -9.109 1.00 0.00 C ATOM 117 CG LYS A 9 -0.488 7.383 -9.559 1.00 0.00 C ATOM 118 CD LYS A 9 -0.266 7.486 -11.059 1.00 0.00 C ATOM 119 CE LYS A 9 0.154 6.153 -11.653 1.00 0.00 C ATOM 120 NZ LYS A 9 0.302 6.222 -13.133 1.00 0.00 N ATOM 0 HA LYS A 9 -2.885 6.457 -9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.055 8.785 -9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.330 8.957 -8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.411 7.707 -9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.658 6.341 -9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.182 7.827 -11.541 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.500 8.234 -11.264 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.099 5.840 -11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.585 5.394 -11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.590 5.291 -13.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.606 6.495 -13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.026 6.928 -13.377 1.00 0.00 H new ATOM 134 N ALA A 10 -2.826 5.894 -6.610 1.00 0.00 N ATOM 135 CA ALA A 10 -2.607 5.493 -5.231 1.00 0.00 C ATOM 136 C ALA A 10 -1.133 5.233 -4.953 1.00 0.00 C ATOM 137 O ALA A 10 -0.651 4.114 -5.115 1.00 0.00 O ATOM 138 CB ALA A 10 -3.439 4.268 -4.895 1.00 0.00 C ATOM 0 H ALA A 10 -3.231 5.170 -7.203 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.923 6.316 -4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.263 3.982 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.496 4.497 -5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.157 3.445 -5.552 1.00 0.00 H new ATOM 144 N ILE A 11 -0.420 6.276 -4.531 1.00 0.00 N ATOM 145 CA ILE A 11 1.002 6.157 -4.233 1.00 0.00 C ATOM 146 C ILE A 11 1.267 6.229 -2.731 1.00 0.00 C ATOM 147 O ILE A 11 1.099 7.280 -2.109 1.00 0.00 O ATOM 148 CB ILE A 11 1.815 7.263 -4.938 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.644 7.163 -6.454 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.286 7.171 -4.556 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.862 8.476 -7.172 1.00 0.00 C ATOM 0 H ILE A 11 -0.805 7.210 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 11 1.319 5.183 -4.605 1.00 0.00 H new ATOM 0 HB ILE A 11 1.438 8.232 -4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.345 6.424 -6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.641 6.799 -6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.843 7.959 -5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.390 7.289 -3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.679 6.199 -4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.725 8.332 -8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.144 9.212 -6.810 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.874 8.832 -6.980 1.00 0.00 H new ATOM 163 N PHE A 12 1.701 5.109 -2.161 1.00 0.00 N ATOM 164 CA PHE A 12 2.018 5.035 -0.738 1.00 0.00 C ATOM 165 C PHE A 12 3.492 4.680 -0.565 1.00 0.00 C ATOM 166 O PHE A 12 3.927 3.603 -0.971 1.00 0.00 O ATOM 167 CB PHE A 12 1.142 3.983 -0.049 1.00 0.00 C ATOM 168 CG PHE A 12 -0.241 4.461 0.297 1.00 0.00 C ATOM 169 CD1 PHE A 12 -0.471 5.181 1.459 1.00 0.00 C ATOM 170 CD2 PHE A 12 -1.313 4.184 -0.536 1.00 0.00 C ATOM 171 CE1 PHE A 12 -1.743 5.615 1.782 1.00 0.00 C ATOM 172 CE2 PHE A 12 -2.586 4.615 -0.216 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.802 5.331 0.943 1.00 0.00 C ATOM 0 H PHE A 12 1.842 4.234 -2.667 1.00 0.00 H new ATOM 0 HA PHE A 12 1.820 6.004 -0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.061 3.112 -0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.639 3.654 0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.353 5.405 2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.152 3.625 -1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.908 6.176 2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.413 4.391 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.797 5.669 1.193 1.00 0.00 H new ATOM 183 N THR A 13 4.269 5.593 0.017 1.00 0.00 N ATOM 184 CA THR A 13 5.698 5.361 0.205 1.00 0.00 C ATOM 185 C THR A 13 6.043 4.963 1.636 1.00 0.00 C ATOM 186 O THR A 13 5.698 5.658 2.588 1.00 0.00 O ATOM 187 CB THR A 13 6.527 6.598 -0.177 1.00 0.00 C ATOM 188 OG1 THR A 13 6.100 7.102 -1.449 1.00 0.00 O ATOM 189 CG2 THR A 13 8.008 6.254 -0.233 1.00 0.00 C ATOM 0 H THR A 13 3.935 6.492 0.363 1.00 0.00 H new ATOM 0 HA THR A 13 5.950 4.532 -0.457 1.00 0.00 H new ATOM 0 HB THR A 13 6.374 7.363 0.584 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.848 7.560 -1.887 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.578 7.142 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.336 5.897 0.743 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.173 5.475 -0.978 1.00 0.00 H new ATOM 197 N VAL A 14 6.735 3.832 1.765 1.00 0.00 N ATOM 198 CA VAL A 14 7.149 3.311 3.064 1.00 0.00 C ATOM 199 C VAL A 14 8.527 2.664 2.966 1.00 0.00 C ATOM 200 O VAL A 14 9.084 2.542 1.878 1.00 0.00 O ATOM 201 CB VAL A 14 6.153 2.259 3.592 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.727 2.662 3.273 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.456 0.885 3.009 1.00 0.00 C ATOM 0 H VAL A 14 7.023 3.254 0.975 1.00 0.00 H new ATOM 0 HA VAL A 14 7.179 4.155 3.753 1.00 0.00 H new ATOM 0 HB VAL A 14 6.264 2.206 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.041 1.906 3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.507 3.621 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.606 2.749 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.740 0.160 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.380 0.926 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.465 0.585 3.291 1.00 0.00 H new ATOM 213 N ASP A 15 9.055 2.218 4.101 1.00 0.00 N ATOM 214 CA ASP A 15 10.347 1.543 4.127 1.00 0.00 C ATOM 215 C ASP A 15 10.124 0.036 4.054 1.00 0.00 C ATOM 216 O ASP A 15 9.032 -0.445 4.349 1.00 0.00 O ATOM 217 CB ASP A 15 11.129 1.906 5.393 1.00 0.00 C ATOM 218 CG ASP A 15 10.229 2.240 6.563 1.00 0.00 C ATOM 219 OD1 ASP A 15 9.844 1.309 7.301 1.00 0.00 O ATOM 220 OD2 ASP A 15 9.907 3.433 6.742 1.00 0.00 O ATOM 0 H ASP A 15 8.609 2.312 5.013 1.00 0.00 H new ATOM 0 HA ASP A 15 10.936 1.868 3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.777 1.073 5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.776 2.758 5.183 1.00 0.00 H new ATOM 225 N ALA A 16 11.143 -0.709 3.649 1.00 0.00 N ATOM 226 CA ALA A 16 11.012 -2.158 3.534 1.00 0.00 C ATOM 227 C ALA A 16 11.282 -2.854 4.858 1.00 0.00 C ATOM 228 O ALA A 16 10.921 -4.017 5.040 1.00 0.00 O ATOM 229 CB ALA A 16 11.938 -2.687 2.451 1.00 0.00 C ATOM 0 H ALA A 16 12.060 -0.341 3.397 1.00 0.00 H new ATOM 0 HA ALA A 16 9.981 -2.378 3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.830 -3.769 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.679 -2.230 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.970 -2.442 2.703 1.00 0.00 H new ATOM 235 N LYS A 17 11.907 -2.144 5.784 1.00 0.00 N ATOM 236 CA LYS A 17 12.207 -2.714 7.089 1.00 0.00 C ATOM 237 C LYS A 17 10.927 -2.899 7.899 1.00 0.00 C ATOM 238 O LYS A 17 10.532 -4.022 8.211 1.00 0.00 O ATOM 239 CB LYS A 17 13.183 -1.814 7.850 1.00 0.00 C ATOM 240 CG LYS A 17 14.472 -2.513 8.246 1.00 0.00 C ATOM 241 CD LYS A 17 15.426 -1.565 8.958 1.00 0.00 C ATOM 242 CE LYS A 17 14.999 -1.322 10.396 1.00 0.00 C ATOM 243 NZ LYS A 17 15.943 -1.939 11.369 1.00 0.00 N ATOM 0 H LYS A 17 12.215 -1.180 5.659 1.00 0.00 H new ATOM 0 HA LYS A 17 12.670 -3.690 6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.424 -0.949 7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.693 -1.438 8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.244 -3.357 8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.956 -2.917 7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.433 -1.981 8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.464 -0.616 8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.938 -0.249 10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.000 -1.729 10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.616 -1.750 12.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.982 -2.966 11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.891 -1.532 11.239 1.00 0.00 H new ATOM 257 N THR A 18 10.302 -1.784 8.259 1.00 0.00 N ATOM 258 CA THR A 18 9.086 -1.836 9.066 1.00 0.00 C ATOM 259 C THR A 18 7.858 -1.271 8.363 1.00 0.00 C ATOM 260 O THR A 18 6.763 -1.298 8.927 1.00 0.00 O ATOM 261 CB THR A 18 9.272 -1.126 10.420 1.00 0.00 C ATOM 262 OG1 THR A 18 8.128 -1.344 11.254 1.00 0.00 O ATOM 263 CG2 THR A 18 9.484 0.369 10.227 1.00 0.00 C ATOM 0 H THR A 18 10.611 -0.844 8.010 1.00 0.00 H new ATOM 0 HA THR A 18 8.905 -2.898 9.231 1.00 0.00 H new ATOM 0 HB THR A 18 10.157 -1.544 10.900 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.329 -1.439 10.695 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.613 0.847 11.198 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.374 0.535 9.620 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.617 0.797 9.724 1.00 0.00 H new ATOM 271 N THR A 19 8.044 -0.745 7.161 1.00 0.00 N ATOM 272 CA THR A 19 6.946 -0.153 6.391 1.00 0.00 C ATOM 273 C THR A 19 6.693 1.286 6.839 1.00 0.00 C ATOM 274 O THR A 19 7.407 2.195 6.425 1.00 0.00 O ATOM 275 CB THR A 19 5.639 -0.970 6.502 1.00 0.00 C ATOM 276 OG1 THR A 19 5.923 -2.367 6.368 1.00 0.00 O ATOM 277 CG2 THR A 19 4.639 -0.548 5.436 1.00 0.00 C ATOM 0 H THR A 19 8.949 -0.714 6.691 1.00 0.00 H new ATOM 0 HA THR A 19 7.254 -0.164 5.345 1.00 0.00 H new ATOM 0 HB THR A 19 5.201 -0.778 7.482 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.090 -2.879 6.441 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.729 -1.139 5.537 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.401 0.509 5.558 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.070 -0.711 4.448 1.00 0.00 H new ATOM 285 N GLU A 20 5.685 1.487 7.690 1.00 0.00 N ATOM 286 CA GLU A 20 5.360 2.825 8.186 1.00 0.00 C ATOM 287 C GLU A 20 5.241 3.818 7.033 1.00 0.00 C ATOM 288 O GLU A 20 6.244 4.335 6.541 1.00 0.00 O ATOM 289 CB GLU A 20 6.427 3.299 9.177 1.00 0.00 C ATOM 290 CG GLU A 20 5.853 3.856 10.469 1.00 0.00 C ATOM 291 CD GLU A 20 6.911 4.481 11.355 1.00 0.00 C ATOM 292 OE1 GLU A 20 7.561 5.451 10.912 1.00 0.00 O ATOM 293 OE2 GLU A 20 7.089 4.002 12.496 1.00 0.00 O ATOM 0 H GLU A 20 5.083 0.745 8.048 1.00 0.00 H new ATOM 0 HA GLU A 20 4.399 2.773 8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.088 2.465 9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.038 4.065 8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.095 4.603 10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.354 3.056 11.015 1.00 0.00 H new ATOM 300 N ILE A 21 4.014 4.072 6.599 1.00 0.00 N ATOM 301 CA ILE A 21 3.775 4.992 5.492 1.00 0.00 C ATOM 302 C ILE A 21 4.392 6.361 5.751 1.00 0.00 C ATOM 303 O ILE A 21 3.850 7.169 6.504 1.00 0.00 O ATOM 304 CB ILE A 21 2.272 5.161 5.192 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.479 3.938 5.662 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.064 5.378 3.701 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.429 4.260 6.704 1.00 0.00 C ATOM 0 H ILE A 21 3.170 3.656 6.994 1.00 0.00 H new ATOM 0 HA ILE A 21 4.256 4.545 4.622 1.00 0.00 H new ATOM 0 HB ILE A 21 1.908 6.032 5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.995 3.477 4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.171 3.202 6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.000 5.497 3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.597 6.275 3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.446 4.518 3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.093 3.346 6.989 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.908 4.694 7.582 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.286 4.972 6.292 1.00 0.00 H new ATOM 319 N LEU A 22 5.538 6.608 5.117 1.00 0.00 N ATOM 320 CA LEU A 22 6.248 7.874 5.264 1.00 0.00 C ATOM 321 C LEU A 22 5.390 9.046 4.796 1.00 0.00 C ATOM 322 O LEU A 22 5.452 10.135 5.368 1.00 0.00 O ATOM 323 CB LEU A 22 7.560 7.848 4.473 1.00 0.00 C ATOM 324 CG LEU A 22 8.312 6.517 4.495 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.563 6.596 3.633 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.673 6.130 5.921 1.00 0.00 C ATOM 0 H LEU A 22 5.995 5.942 4.494 1.00 0.00 H new ATOM 0 HA LEU A 22 6.469 8.008 6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.345 8.107 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.217 8.624 4.866 1.00 0.00 H new ATOM 0 HG LEU A 22 7.658 5.748 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.085 5.640 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.283 6.826 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.219 7.379 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.208 5.180 5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.308 6.901 6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.763 6.031 6.513 1.00 0.00 H new ATOM 338 N VAL A 23 4.589 8.820 3.754 1.00 0.00 N ATOM 339 CA VAL A 23 3.722 9.864 3.216 1.00 0.00 C ATOM 340 C VAL A 23 2.856 9.335 2.073 1.00 0.00 C ATOM 341 O VAL A 23 3.194 8.343 1.429 1.00 0.00 O ATOM 342 CB VAL A 23 4.547 11.084 2.728 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.518 11.214 1.208 1.00 0.00 C ATOM 344 CG2 VAL A 23 4.045 12.360 3.384 1.00 0.00 C ATOM 0 H VAL A 23 4.524 7.925 3.268 1.00 0.00 H new ATOM 0 HA VAL A 23 3.068 10.185 4.027 1.00 0.00 H new ATOM 0 HB VAL A 23 5.584 10.921 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.107 12.080 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.938 10.314 0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.488 11.341 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.634 13.207 3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.997 12.514 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.143 12.276 4.466 1.00 0.00 H new ATOM 354 N ALA A 24 1.745 10.021 1.821 1.00 0.00 N ATOM 355 CA ALA A 24 0.830 9.646 0.749 1.00 0.00 C ATOM 356 C ALA A 24 0.305 10.896 0.048 1.00 0.00 C ATOM 357 O ALA A 24 0.422 12.001 0.577 1.00 0.00 O ATOM 358 CB ALA A 24 -0.310 8.804 1.294 1.00 0.00 C ATOM 0 H ALA A 24 1.456 10.845 2.349 1.00 0.00 H new ATOM 0 HA ALA A 24 1.369 9.044 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.983 8.533 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.092 7.899 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.858 9.375 2.044 1.00 0.00 H new ATOM 364 N ASN A 25 -0.231 10.739 -1.160 1.00 0.00 N ATOM 365 CA ASN A 25 -0.710 11.891 -1.922 1.00 0.00 C ATOM 366 C ASN A 25 -2.234 12.004 -1.980 1.00 0.00 C ATOM 367 O ASN A 25 -2.969 11.122 -1.547 1.00 0.00 O ATOM 368 CB ASN A 25 -0.136 11.854 -3.337 1.00 0.00 C ATOM 369 CG ASN A 25 -0.589 10.632 -4.115 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.586 9.513 -3.599 1.00 0.00 O ATOM 371 ND2 ASN A 25 -0.983 10.840 -5.364 1.00 0.00 N ATOM 0 H ASN A 25 -0.344 9.840 -1.628 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.359 12.776 -1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.438 12.754 -3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.953 11.865 -3.285 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.299 10.057 -5.936 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.970 11.783 -5.753 1.00 0.00 H new ATOM 378 N ASP A 26 -2.677 13.132 -2.534 1.00 0.00 N ATOM 379 CA ASP A 26 -4.097 13.450 -2.677 1.00 0.00 C ATOM 380 C ASP A 26 -4.842 12.438 -3.544 1.00 0.00 C ATOM 381 O ASP A 26 -6.069 12.486 -3.637 1.00 0.00 O ATOM 382 CB ASP A 26 -4.266 14.849 -3.264 1.00 0.00 C ATOM 383 CG ASP A 26 -3.234 15.827 -2.735 1.00 0.00 C ATOM 384 OD1 ASP A 26 -3.079 15.917 -1.499 1.00 0.00 O ATOM 385 OD2 ASP A 26 -2.577 16.499 -3.558 1.00 0.00 O ATOM 0 H ASP A 26 -2.057 13.855 -2.898 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.532 13.408 -1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.189 14.796 -4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.265 15.219 -3.033 1.00 0.00 H new ATOM 390 N LYS A 27 -4.117 11.508 -4.148 1.00 0.00 N ATOM 391 CA LYS A 27 -4.746 10.481 -4.966 1.00 0.00 C ATOM 392 C LYS A 27 -4.967 9.234 -4.125 1.00 0.00 C ATOM 393 O LYS A 27 -6.100 8.878 -3.804 1.00 0.00 O ATOM 394 CB LYS A 27 -3.889 10.164 -6.188 1.00 0.00 C ATOM 395 CG LYS A 27 -4.253 10.986 -7.414 1.00 0.00 C ATOM 396 CD LYS A 27 -3.021 11.379 -8.212 1.00 0.00 C ATOM 397 CE LYS A 27 -2.558 12.785 -7.867 1.00 0.00 C ATOM 398 NZ LYS A 27 -3.472 13.824 -8.421 1.00 0.00 N ATOM 0 H LYS A 27 -3.101 11.443 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.709 10.847 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.841 10.337 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.989 9.105 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.930 10.414 -8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.788 11.884 -7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.216 10.671 -8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.242 11.319 -9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.501 12.893 -6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.552 12.942 -8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.003 14.752 -8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.709 13.589 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.343 13.858 -7.854 1.00 0.00 H new ATOM 412 N ALA A 28 -3.863 8.592 -3.754 1.00 0.00 N ATOM 413 CA ALA A 28 -3.901 7.394 -2.921 1.00 0.00 C ATOM 414 C ALA A 28 -4.846 7.570 -1.739 1.00 0.00 C ATOM 415 O ALA A 28 -5.722 6.739 -1.493 1.00 0.00 O ATOM 416 CB ALA A 28 -2.504 7.075 -2.415 1.00 0.00 C ATOM 0 H ALA A 28 -2.923 8.885 -4.020 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.270 6.570 -3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.538 6.180 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.840 6.904 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.131 7.912 -1.825 1.00 0.00 H new ATOM 422 N CYS A 29 -4.652 8.658 -1.007 1.00 0.00 N ATOM 423 CA CYS A 29 -5.475 8.955 0.155 1.00 0.00 C ATOM 424 C CYS A 29 -6.937 9.102 -0.242 1.00 0.00 C ATOM 425 O CYS A 29 -7.831 8.667 0.481 1.00 0.00 O ATOM 426 CB CYS A 29 -4.958 10.220 0.836 1.00 0.00 C ATOM 427 SG CYS A 29 -3.163 10.250 1.031 1.00 0.00 S ATOM 0 H CYS A 29 -3.929 9.351 -1.199 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.410 8.126 0.860 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.267 11.089 0.254 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.424 10.311 1.817 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.614 10.668 -0.071 1.00 0.00 H new ATOM 433 N GLY A 30 -7.175 9.694 -1.409 1.00 0.00 N ATOM 434 CA GLY A 30 -8.536 9.849 -1.884 1.00 0.00 C ATOM 435 C GLY A 30 -9.198 8.501 -2.080 1.00 0.00 C ATOM 436 O GLY A 30 -10.379 8.324 -1.780 1.00 0.00 O ATOM 0 H GLY A 30 -6.455 10.066 -2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.109 10.440 -1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.536 10.399 -2.825 1.00 0.00 H new ATOM 440 N LEU A 31 -8.415 7.545 -2.582 1.00 0.00 N ATOM 441 CA LEU A 31 -8.897 6.190 -2.821 1.00 0.00 C ATOM 442 C LEU A 31 -9.579 5.637 -1.570 1.00 0.00 C ATOM 443 O LEU A 31 -10.774 5.346 -1.584 1.00 0.00 O ATOM 444 CB LEU A 31 -7.727 5.298 -3.238 1.00 0.00 C ATOM 445 CG LEU A 31 -7.908 3.798 -3.004 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.361 3.028 -4.181 1.00 0.00 C ATOM 447 CD2 LEU A 31 -7.204 3.369 -1.729 1.00 0.00 C ATOM 0 H LEU A 31 -7.437 7.689 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.633 6.208 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.534 5.459 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.838 5.624 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.972 3.586 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.492 1.960 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.895 3.319 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.300 3.249 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.344 2.298 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.139 3.588 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.623 3.912 -0.882 1.00 0.00 H new ATOM 459 N LEU A 32 -8.820 5.524 -0.479 1.00 0.00 N ATOM 460 CA LEU A 32 -9.403 5.036 0.772 1.00 0.00 C ATOM 461 C LEU A 32 -10.145 6.162 1.491 1.00 0.00 C ATOM 462 O LEU A 32 -11.375 6.197 1.501 1.00 0.00 O ATOM 463 CB LEU A 32 -8.377 4.407 1.733 1.00 0.00 C ATOM 464 CG LEU A 32 -6.893 4.580 1.404 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.484 6.042 1.466 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.065 3.755 2.379 1.00 0.00 C ATOM 0 H LEU A 32 -7.828 5.756 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.095 4.245 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.550 4.821 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.585 3.339 1.792 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.715 4.231 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.424 6.134 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.069 6.614 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.665 6.428 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.006 3.875 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.256 4.095 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.339 2.704 2.290 1.00 0.00 H new ATOM 478 N GLY A 33 -9.390 7.079 2.092 1.00 0.00 N ATOM 479 CA GLY A 33 -9.995 8.190 2.805 1.00 0.00 C ATOM 480 C GLY A 33 -9.073 8.767 3.860 1.00 0.00 C ATOM 481 O GLY A 33 -9.524 9.191 4.926 1.00 0.00 O ATOM 0 H GLY A 33 -8.370 7.072 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.264 8.971 2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.919 7.856 3.277 1.00 0.00 H new ATOM 485 N TYR A 34 -7.780 8.778 3.562 1.00 0.00 N ATOM 486 CA TYR A 34 -6.780 9.300 4.487 1.00 0.00 C ATOM 487 C TYR A 34 -6.060 10.501 3.882 1.00 0.00 C ATOM 488 O TYR A 34 -6.631 11.246 3.085 1.00 0.00 O ATOM 489 CB TYR A 34 -5.755 8.209 4.816 1.00 0.00 C ATOM 490 CG TYR A 34 -6.272 7.124 5.727 1.00 0.00 C ATOM 491 CD1 TYR A 34 -7.271 6.257 5.307 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.755 6.962 7.006 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.743 5.261 6.136 1.00 0.00 C ATOM 494 CE2 TYR A 34 -6.222 5.969 7.843 1.00 0.00 C ATOM 495 CZ TYR A 34 -7.218 5.121 7.404 1.00 0.00 C ATOM 496 OH TYR A 34 -7.686 4.128 8.232 1.00 0.00 O ATOM 0 H TYR A 34 -7.397 8.430 2.683 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.288 9.615 5.398 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.415 7.754 3.886 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.885 8.673 5.281 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.685 6.364 4.315 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.975 7.624 7.351 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.520 4.594 5.794 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.811 5.856 8.835 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.109 3.339 8.156 1.00 0.00 H new ATOM 506 N SER A 35 -4.790 10.653 4.249 1.00 0.00 N ATOM 507 CA SER A 35 -3.945 11.723 3.741 1.00 0.00 C ATOM 508 C SER A 35 -2.563 11.647 4.365 1.00 0.00 C ATOM 509 O SER A 35 -2.391 11.082 5.445 1.00 0.00 O ATOM 510 CB SER A 35 -4.551 13.097 3.982 1.00 0.00 C ATOM 511 OG SER A 35 -4.599 13.409 5.363 1.00 0.00 O ATOM 0 H SER A 35 -4.319 10.034 4.909 1.00 0.00 H new ATOM 0 HA SER A 35 -3.864 11.585 2.663 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.964 13.851 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.558 13.130 3.565 1.00 0.00 H new ATOM 0 HG SER A 35 -5.533 13.470 5.652 1.00 0.00 H new ATOM 517 N SER A 36 -1.585 12.206 3.673 1.00 0.00 N ATOM 518 CA SER A 36 -0.201 12.198 4.140 1.00 0.00 C ATOM 519 C SER A 36 -0.090 12.575 5.618 1.00 0.00 C ATOM 520 O SER A 36 0.838 12.145 6.302 1.00 0.00 O ATOM 521 CB SER A 36 0.639 13.164 3.305 1.00 0.00 C ATOM 522 OG SER A 36 -0.188 14.058 2.576 1.00 0.00 O ATOM 0 H SER A 36 -1.721 12.676 2.778 1.00 0.00 H new ATOM 0 HA SER A 36 0.173 11.181 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.305 13.729 3.957 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.269 12.602 2.616 1.00 0.00 H new ATOM 0 HG SER A 36 -0.298 13.728 1.660 1.00 0.00 H new ATOM 528 N GLN A 37 -1.018 13.395 6.101 1.00 0.00 N ATOM 529 CA GLN A 37 -0.992 13.839 7.494 1.00 0.00 C ATOM 530 C GLN A 37 -1.948 13.044 8.388 1.00 0.00 C ATOM 531 O GLN A 37 -1.821 13.075 9.613 1.00 0.00 O ATOM 532 CB GLN A 37 -1.334 15.328 7.572 1.00 0.00 C ATOM 533 CG GLN A 37 -2.559 15.715 6.760 1.00 0.00 C ATOM 534 CD GLN A 37 -2.379 17.028 6.021 1.00 0.00 C ATOM 535 OE1 GLN A 37 -3.171 17.957 6.179 1.00 0.00 O ATOM 536 NE2 GLN A 37 -1.334 17.110 5.205 1.00 0.00 N ATOM 0 H GLN A 37 -1.795 13.765 5.553 1.00 0.00 H new ATOM 0 HA GLN A 37 0.018 13.663 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.499 15.600 8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.479 15.907 7.223 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.778 14.925 6.042 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.421 15.791 7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.702 16.316 5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.163 17.967 4.680 1.00 0.00 H new ATOM 545 N ASP A 38 -2.915 12.359 7.787 1.00 0.00 N ATOM 546 CA ASP A 38 -3.896 11.595 8.559 1.00 0.00 C ATOM 547 C ASP A 38 -3.603 10.096 8.562 1.00 0.00 C ATOM 548 O ASP A 38 -4.309 9.328 9.214 1.00 0.00 O ATOM 549 CB ASP A 38 -5.298 11.832 8.003 1.00 0.00 C ATOM 550 CG ASP A 38 -5.847 13.195 8.371 1.00 0.00 C ATOM 551 OD1 ASP A 38 -5.787 13.556 9.565 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.337 13.903 7.466 1.00 0.00 O ATOM 0 H ASP A 38 -3.043 12.315 6.776 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.831 11.947 9.589 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.276 11.734 6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.969 11.060 8.379 1.00 0.00 H new ATOM 557 N LEU A 39 -2.583 9.675 7.825 1.00 0.00 N ATOM 558 CA LEU A 39 -2.248 8.256 7.757 1.00 0.00 C ATOM 559 C LEU A 39 -0.783 7.993 8.106 1.00 0.00 C ATOM 560 O LEU A 39 -0.411 6.865 8.439 1.00 0.00 O ATOM 561 CB LEU A 39 -2.574 7.710 6.363 1.00 0.00 C ATOM 562 CG LEU A 39 -1.630 8.151 5.244 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.529 7.124 5.036 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.404 8.367 3.953 1.00 0.00 C ATOM 0 H LEU A 39 -1.980 10.285 7.273 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.852 7.736 8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.571 6.621 6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.587 8.015 6.101 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.169 9.095 5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.132 7.456 4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.044 7.013 5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.972 6.165 4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.718 8.681 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.891 7.437 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.158 9.139 4.106 1.00 0.00 H new ATOM 576 N ILE A 40 0.045 9.029 8.030 1.00 0.00 N ATOM 577 CA ILE A 40 1.464 8.891 8.340 1.00 0.00 C ATOM 578 C ILE A 40 1.671 8.395 9.771 1.00 0.00 C ATOM 579 O ILE A 40 1.015 8.860 10.705 1.00 0.00 O ATOM 580 CB ILE A 40 2.216 10.226 8.126 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.689 9.967 7.778 1.00 0.00 C ATOM 582 CG2 ILE A 40 2.094 11.134 9.344 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.538 9.528 8.951 1.00 0.00 C ATOM 0 H ILE A 40 -0.240 9.970 7.758 1.00 0.00 H new ATOM 0 HA ILE A 40 1.875 8.150 7.655 1.00 0.00 H new ATOM 0 HB ILE A 40 1.751 10.741 7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.738 9.202 7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.116 10.877 7.356 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.633 12.063 9.161 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.043 11.355 9.529 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.518 10.634 10.215 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.563 9.367 8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.523 10.300 9.720 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.140 8.600 9.361 1.00 0.00 H new ATOM 595 N GLY A 41 2.592 7.449 9.936 1.00 0.00 N ATOM 596 CA GLY A 41 2.875 6.908 11.253 1.00 0.00 C ATOM 597 C GLY A 41 2.537 5.436 11.377 1.00 0.00 C ATOM 598 O GLY A 41 3.265 4.681 12.021 1.00 0.00 O ATOM 0 H GLY A 41 3.147 7.048 9.180 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.932 7.052 11.479 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.310 7.468 11.998 1.00 0.00 H new ATOM 602 N GLN A 42 1.431 5.023 10.768 1.00 0.00 N ATOM 603 CA GLN A 42 1.008 3.627 10.826 1.00 0.00 C ATOM 604 C GLN A 42 1.467 2.865 9.588 1.00 0.00 C ATOM 605 O GLN A 42 2.326 3.333 8.841 1.00 0.00 O ATOM 606 CB GLN A 42 -0.515 3.533 10.960 1.00 0.00 C ATOM 607 CG GLN A 42 -1.101 4.494 11.981 1.00 0.00 C ATOM 608 CD GLN A 42 -2.488 4.969 11.602 1.00 0.00 C ATOM 609 OE1 GLN A 42 -3.464 4.697 12.303 1.00 0.00 O ATOM 610 NE2 GLN A 42 -2.585 5.682 10.487 1.00 0.00 N ATOM 0 H GLN A 42 0.813 5.631 10.231 1.00 0.00 H new ATOM 0 HA GLN A 42 1.471 3.174 11.703 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.969 3.729 9.988 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.784 2.514 11.238 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.142 4.005 12.954 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.441 5.355 12.085 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.750 5.884 9.937 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.494 6.028 10.180 1.00 0.00 H new ATOM 619 N LYS A 43 0.883 1.690 9.375 1.00 0.00 N ATOM 620 CA LYS A 43 1.220 0.860 8.226 1.00 0.00 C ATOM 621 C LYS A 43 0.058 0.823 7.242 1.00 0.00 C ATOM 622 O LYS A 43 -1.077 0.555 7.629 1.00 0.00 O ATOM 623 CB LYS A 43 1.569 -0.561 8.675 1.00 0.00 C ATOM 624 CG LYS A 43 2.815 -0.637 9.539 1.00 0.00 C ATOM 625 CD LYS A 43 2.709 -1.748 10.572 1.00 0.00 C ATOM 626 CE LYS A 43 3.162 -1.278 11.944 1.00 0.00 C ATOM 627 NZ LYS A 43 2.183 -0.343 12.563 1.00 0.00 N ATOM 0 H LYS A 43 0.171 1.291 9.987 1.00 0.00 H new ATOM 0 HA LYS A 43 2.089 1.294 7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.727 -0.975 9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.709 -1.187 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.687 -0.808 8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.968 0.317 10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.678 -2.097 10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.316 -2.597 10.258 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.301 -2.141 12.595 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.130 -0.785 11.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.450 -0.166 13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.181 0.555 12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.233 -0.764 12.531 1.00 0.00 H new ATOM 641 N LEU A 44 0.340 1.123 5.978 1.00 0.00 N ATOM 642 CA LEU A 44 -0.692 1.147 4.945 1.00 0.00 C ATOM 643 C LEU A 44 -1.569 -0.102 4.978 1.00 0.00 C ATOM 644 O LEU A 44 -2.783 -0.012 4.821 1.00 0.00 O ATOM 645 CB LEU A 44 -0.060 1.301 3.556 1.00 0.00 C ATOM 646 CG LEU A 44 1.347 0.718 3.402 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.295 -0.800 3.297 1.00 0.00 C ATOM 648 CD2 LEU A 44 2.024 1.310 2.180 1.00 0.00 C ATOM 0 H LEU A 44 1.276 1.353 5.643 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.329 2.007 5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.713 0.825 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.024 2.362 3.309 1.00 0.00 H new ATOM 0 HG LEU A 44 1.927 0.977 4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.306 -1.192 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.841 -1.212 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.700 -1.085 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.024 0.889 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.440 1.075 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.095 2.392 2.292 1.00 0.00 H new ATOM 660 N THR A 45 -0.947 -1.263 5.169 1.00 0.00 N ATOM 661 CA THR A 45 -1.672 -2.533 5.203 1.00 0.00 C ATOM 662 C THR A 45 -2.806 -2.523 6.221 1.00 0.00 C ATOM 663 O THR A 45 -3.715 -3.349 6.156 1.00 0.00 O ATOM 664 CB THR A 45 -0.726 -3.700 5.507 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.119 -3.526 6.791 1.00 0.00 O ATOM 666 CG2 THR A 45 0.342 -3.791 4.438 1.00 0.00 C ATOM 0 H THR A 45 0.060 -1.352 5.303 1.00 0.00 H new ATOM 0 HA THR A 45 -2.105 -2.666 4.212 1.00 0.00 H new ATOM 0 HB THR A 45 -1.302 -4.625 5.515 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.481 -4.279 6.974 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.010 -4.623 4.661 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.127 -3.953 3.468 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.913 -2.863 4.414 1.00 0.00 H new ATOM 674 N GLN A 46 -2.753 -1.580 7.150 1.00 0.00 N ATOM 675 CA GLN A 46 -3.786 -1.462 8.168 1.00 0.00 C ATOM 676 C GLN A 46 -5.120 -1.141 7.515 1.00 0.00 C ATOM 677 O GLN A 46 -6.182 -1.350 8.097 1.00 0.00 O ATOM 678 CB GLN A 46 -3.420 -0.374 9.180 1.00 0.00 C ATOM 679 CG GLN A 46 -3.701 -0.766 10.621 1.00 0.00 C ATOM 680 CD GLN A 46 -3.396 0.356 11.597 1.00 0.00 C ATOM 681 OE1 GLN A 46 -2.134 0.765 11.654 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -4.287 0.850 12.290 1.00 0.00 N flip ATOM 0 H GLN A 46 -2.008 -0.887 7.220 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.866 -2.412 8.697 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.362 -0.134 9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.977 0.533 8.944 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.748 -1.054 10.719 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.104 -1.641 10.879 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.244 0.504 12.213 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.068 1.605 12.940 1.00 0.00 H new ATOM 691 N PHE A 47 -5.049 -0.611 6.300 1.00 0.00 N ATOM 692 CA PHE A 47 -6.245 -0.236 5.558 1.00 0.00 C ATOM 693 C PHE A 47 -6.416 -1.104 4.315 1.00 0.00 C ATOM 694 O PHE A 47 -6.705 -0.601 3.228 1.00 0.00 O ATOM 695 CB PHE A 47 -6.183 1.244 5.160 1.00 0.00 C ATOM 696 CG PHE A 47 -5.193 2.050 5.961 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.351 2.213 7.329 1.00 0.00 C ATOM 698 CD2 PHE A 47 -4.104 2.643 5.342 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.443 2.951 8.063 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.191 3.382 6.072 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.361 3.536 7.433 1.00 0.00 C ATOM 0 H PHE A 47 -4.174 -0.431 5.808 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.106 -0.395 6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.925 1.316 4.103 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.174 1.683 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.194 1.757 7.827 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.967 2.527 4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.578 3.071 9.128 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.346 3.838 5.578 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.649 4.113 8.005 1.00 0.00 H new ATOM 711 N PHE A 48 -6.248 -2.414 4.485 1.00 0.00 N ATOM 712 CA PHE A 48 -6.397 -3.358 3.379 1.00 0.00 C ATOM 713 C PHE A 48 -6.952 -4.685 3.884 1.00 0.00 C ATOM 714 O PHE A 48 -7.313 -4.805 5.055 1.00 0.00 O ATOM 715 CB PHE A 48 -5.060 -3.580 2.666 1.00 0.00 C ATOM 716 CG PHE A 48 -4.552 -2.350 1.966 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.058 -1.982 0.733 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.573 -1.562 2.544 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.600 -0.852 0.088 1.00 0.00 C ATOM 720 CE2 PHE A 48 -3.108 -0.429 1.903 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.622 -0.074 0.674 1.00 0.00 C ATOM 0 H PHE A 48 -6.009 -2.846 5.378 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.100 -2.933 2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.318 -3.909 3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.172 -4.384 1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.822 -2.588 0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.167 -1.835 3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.006 -0.576 -0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.343 0.178 2.365 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.260 0.811 0.171 1.00 0.00 H new ATOM 731 N LEU A 49 -7.025 -5.670 2.993 1.00 0.00 N ATOM 732 CA LEU A 49 -7.547 -6.994 3.338 1.00 0.00 C ATOM 733 C LEU A 49 -7.066 -7.442 4.714 1.00 0.00 C ATOM 734 O LEU A 49 -5.867 -7.594 4.947 1.00 0.00 O ATOM 735 CB LEU A 49 -7.162 -8.049 2.284 1.00 0.00 C ATOM 736 CG LEU A 49 -5.916 -7.763 1.432 1.00 0.00 C ATOM 737 CD1 LEU A 49 -6.220 -6.725 0.366 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.739 -7.320 2.296 1.00 0.00 C ATOM 0 H LEU A 49 -6.728 -5.578 2.021 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.633 -6.906 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.011 -8.999 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.009 -8.180 1.611 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.633 -8.692 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.324 -6.538 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.014 -7.093 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.541 -5.798 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.874 -7.126 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.005 -6.410 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.496 -8.107 3.010 1.00 0.00 H new ATOM 750 N ARG A 50 -8.016 -7.652 5.621 1.00 0.00 N ATOM 751 CA ARG A 50 -7.704 -8.083 6.981 1.00 0.00 C ATOM 752 C ARG A 50 -6.678 -7.158 7.625 1.00 0.00 C ATOM 753 O ARG A 50 -5.472 -7.389 7.545 1.00 0.00 O ATOM 754 CB ARG A 50 -7.188 -9.518 6.983 1.00 0.00 C ATOM 755 CG ARG A 50 -6.825 -10.030 8.369 1.00 0.00 C ATOM 756 CD ARG A 50 -7.412 -11.406 8.628 1.00 0.00 C ATOM 757 NE ARG A 50 -8.731 -11.329 9.249 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.859 -11.648 8.622 1.00 0.00 C ATOM 759 NH1 ARG A 50 -9.825 -12.065 7.364 1.00 0.00 N ATOM 760 NH2 ARG A 50 -11.020 -11.550 9.253 1.00 0.00 N ATOM 0 H ARG A 50 -9.012 -7.530 5.438 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.623 -8.038 7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -7.948 -10.170 6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.310 -9.581 6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.740 -10.072 8.470 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.188 -9.331 9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.485 -11.952 7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.740 -11.972 9.273 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.790 -11.013 10.217 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.933 -12.141 6.876 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.691 -12.309 6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.049 -11.229 10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.885 -11.795 8.771 1.00 0.00 H new ATOM 774 N SER A 51 -7.173 -6.105 8.255 1.00 0.00 N ATOM 775 CA SER A 51 -6.322 -5.122 8.914 1.00 0.00 C ATOM 776 C SER A 51 -5.756 -5.650 10.232 1.00 0.00 C ATOM 777 O SER A 51 -4.982 -4.961 10.897 1.00 0.00 O ATOM 778 CB SER A 51 -7.117 -3.844 9.178 1.00 0.00 C ATOM 779 OG SER A 51 -8.469 -4.137 9.482 1.00 0.00 O ATOM 0 H SER A 51 -8.171 -5.906 8.325 1.00 0.00 H new ATOM 0 HA SER A 51 -5.484 -4.913 8.249 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.666 -3.296 10.005 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.070 -3.196 8.303 1.00 0.00 H new ATOM 0 HG SER A 51 -8.955 -3.303 9.648 1.00 0.00 H new ATOM 785 N ASP A 52 -6.163 -6.853 10.622 1.00 0.00 N ATOM 786 CA ASP A 52 -5.705 -7.431 11.885 1.00 0.00 C ATOM 787 C ASP A 52 -4.421 -8.249 11.737 1.00 0.00 C ATOM 788 O ASP A 52 -3.362 -7.841 12.215 1.00 0.00 O ATOM 789 CB ASP A 52 -6.804 -8.309 12.485 1.00 0.00 C ATOM 790 CG ASP A 52 -7.048 -8.011 13.951 1.00 0.00 C ATOM 791 OD1 ASP A 52 -6.068 -7.713 14.667 1.00 0.00 O ATOM 792 OD2 ASP A 52 -8.218 -8.074 14.383 1.00 0.00 O ATOM 0 H ASP A 52 -6.802 -7.443 10.090 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.480 -6.596 12.549 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.729 -8.159 11.928 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.530 -9.358 12.371 1.00 0.00 H new ATOM 797 N SER A 53 -4.525 -9.421 11.114 1.00 0.00 N ATOM 798 CA SER A 53 -3.372 -10.305 10.956 1.00 0.00 C ATOM 799 C SER A 53 -2.635 -10.105 9.632 1.00 0.00 C ATOM 800 O SER A 53 -1.410 -10.026 9.609 1.00 0.00 O ATOM 801 CB SER A 53 -3.811 -11.762 11.080 1.00 0.00 C ATOM 802 OG SER A 53 -4.756 -12.100 10.079 1.00 0.00 O ATOM 0 H SER A 53 -5.391 -9.779 10.712 1.00 0.00 H new ATOM 0 HA SER A 53 -2.673 -10.048 11.752 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.942 -12.415 10.998 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.245 -11.931 12.065 1.00 0.00 H new ATOM 0 HG SER A 53 -5.251 -12.900 10.353 1.00 0.00 H new ATOM 808 N ASP A 54 -3.382 -10.060 8.534 1.00 0.00 N ATOM 809 CA ASP A 54 -2.794 -9.912 7.198 1.00 0.00 C ATOM 810 C ASP A 54 -1.801 -8.752 7.111 1.00 0.00 C ATOM 811 O ASP A 54 -1.015 -8.679 6.167 1.00 0.00 O ATOM 812 CB ASP A 54 -3.895 -9.726 6.155 1.00 0.00 C ATOM 813 CG ASP A 54 -4.339 -11.038 5.541 1.00 0.00 C ATOM 814 OD1 ASP A 54 -3.790 -12.091 5.922 1.00 0.00 O ATOM 815 OD2 ASP A 54 -5.239 -11.012 4.675 1.00 0.00 O ATOM 0 H ASP A 54 -4.400 -10.124 8.538 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.239 -10.828 6.997 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.752 -9.237 6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.537 -9.063 5.368 1.00 0.00 H new ATOM 820 N VAL A 55 -1.835 -7.847 8.083 1.00 0.00 N ATOM 821 CA VAL A 55 -0.928 -6.705 8.077 1.00 0.00 C ATOM 822 C VAL A 55 0.369 -7.018 8.817 1.00 0.00 C ATOM 823 O VAL A 55 1.406 -6.411 8.556 1.00 0.00 O ATOM 824 CB VAL A 55 -1.588 -5.458 8.702 1.00 0.00 C ATOM 825 CG1 VAL A 55 -3.060 -5.396 8.329 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.419 -5.445 10.215 1.00 0.00 C ATOM 0 H VAL A 55 -2.474 -7.881 8.877 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.695 -6.495 7.033 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.088 -4.576 8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.512 -4.511 8.777 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.159 -5.344 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.567 -6.288 8.697 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.894 -4.555 10.627 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.884 -6.334 10.641 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.357 -5.437 10.462 1.00 0.00 H new ATOM 836 N VAL A 56 0.300 -7.964 9.748 1.00 0.00 N ATOM 837 CA VAL A 56 1.466 -8.352 10.531 1.00 0.00 C ATOM 838 C VAL A 56 2.268 -9.453 9.843 1.00 0.00 C ATOM 839 O VAL A 56 3.458 -9.616 10.113 1.00 0.00 O ATOM 840 CB VAL A 56 1.065 -8.828 11.939 1.00 0.00 C ATOM 841 CG1 VAL A 56 2.241 -8.713 12.898 1.00 0.00 C ATOM 842 CG2 VAL A 56 -0.127 -8.036 12.457 1.00 0.00 C ATOM 0 H VAL A 56 -0.552 -8.476 9.978 1.00 0.00 H new ATOM 0 HA VAL A 56 2.089 -7.462 10.617 1.00 0.00 H new ATOM 0 HB VAL A 56 0.775 -9.877 11.874 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.938 -9.054 13.888 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.065 -9.329 12.539 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.563 -7.673 12.955 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.393 -8.389 13.453 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.132 -6.978 12.504 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.974 -8.173 11.785 1.00 0.00 H new ATOM 852 N GLU A 57 1.622 -10.208 8.955 1.00 0.00 N ATOM 853 CA GLU A 57 2.301 -11.285 8.241 1.00 0.00 C ATOM 854 C GLU A 57 2.901 -10.780 6.934 1.00 0.00 C ATOM 855 O GLU A 57 4.031 -11.123 6.584 1.00 0.00 O ATOM 856 CB GLU A 57 1.347 -12.448 7.953 1.00 0.00 C ATOM 857 CG GLU A 57 0.026 -12.361 8.696 1.00 0.00 C ATOM 858 CD GLU A 57 -0.174 -13.503 9.672 1.00 0.00 C ATOM 859 OE1 GLU A 57 -0.153 -14.671 9.230 1.00 0.00 O ATOM 860 OE2 GLU A 57 -0.353 -13.230 10.878 1.00 0.00 O ATOM 0 H GLU A 57 0.637 -10.094 8.715 1.00 0.00 H new ATOM 0 HA GLU A 57 3.104 -11.643 8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.148 -12.485 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.840 -13.383 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.021 -11.415 9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.792 -12.357 7.975 1.00 0.00 H new ATOM 867 N ALA A 58 2.133 -9.968 6.214 1.00 0.00 N ATOM 868 CA ALA A 58 2.584 -9.418 4.941 1.00 0.00 C ATOM 869 C ALA A 58 3.883 -8.637 5.107 1.00 0.00 C ATOM 870 O ALA A 58 4.827 -8.813 4.340 1.00 0.00 O ATOM 871 CB ALA A 58 1.507 -8.530 4.336 1.00 0.00 C ATOM 0 H ALA A 58 1.196 -9.677 6.491 1.00 0.00 H new ATOM 0 HA ALA A 58 2.775 -10.251 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.859 -8.127 3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.603 -9.116 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.286 -7.709 5.019 1.00 0.00 H new ATOM 1086 N PHE A 74 -0.181 -9.181 -0.728 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.654 -7.804 -0.814 1.00 0.00 C ATOM 1088 C PHE A 74 -0.181 -7.163 -2.116 1.00 0.00 C ATOM 1089 O PHE A 74 -0.752 -6.177 -2.579 1.00 0.00 O ATOM 1090 CB PHE A 74 -0.158 -6.999 0.395 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.557 -5.547 0.386 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.848 -5.156 0.050 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.367 -4.566 0.717 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -2.201 -3.820 0.044 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.017 -3.232 0.713 1.00 0.00 C ATOM 1096 CZ PHE A 74 -1.268 -2.857 0.374 1.00 0.00 C ATOM 0 HA PHE A 74 -1.744 -7.804 -0.807 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.540 -7.462 1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.929 -7.063 0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.583 -5.904 -0.209 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.375 -4.851 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.207 -3.529 -0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.748 -2.481 0.975 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.543 -1.813 0.367 1.00 0.00 H new ATOM 1106 N GLY A 75 0.862 -7.742 -2.710 1.00 0.00 N ATOM 1107 CA GLY A 75 1.391 -7.224 -3.962 1.00 0.00 C ATOM 1108 C GLY A 75 0.676 -7.793 -5.172 1.00 0.00 C ATOM 1109 O GLY A 75 1.300 -8.091 -6.190 1.00 0.00 O ATOM 0 H GLY A 75 1.350 -8.561 -2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.302 -6.138 -3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.454 -7.457 -4.028 1.00 0.00 H new ATOM 1113 N THR A 76 -0.639 -7.946 -5.053 1.00 0.00 N ATOM 1114 CA THR A 76 -1.460 -8.482 -6.134 1.00 0.00 C ATOM 1115 C THR A 76 -2.858 -7.872 -6.111 1.00 0.00 C ATOM 1116 O THR A 76 -3.254 -7.256 -5.123 1.00 0.00 O ATOM 1117 CB THR A 76 -1.580 -10.014 -6.041 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.649 -10.521 -5.077 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.319 -10.663 -7.392 1.00 0.00 C ATOM 0 H THR A 76 -1.163 -7.704 -4.212 1.00 0.00 H new ATOM 0 HA THR A 76 -0.965 -8.221 -7.069 1.00 0.00 H new ATOM 0 HB THR A 76 -2.596 -10.257 -5.730 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.733 -11.496 -5.023 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.410 -11.745 -7.299 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.046 -10.299 -8.117 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.313 -10.411 -7.729 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.612 -8.057 -7.193 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.973 -7.536 -7.259 1.00 0.00 C ATOM 1129 C VAL A 77 -5.835 -8.245 -6.221 1.00 0.00 C ATOM 1130 O VAL A 77 -6.255 -9.384 -6.423 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.593 -7.728 -8.657 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -6.865 -6.904 -8.798 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -4.592 -7.366 -9.742 1.00 0.00 C ATOM 0 H VAL A 77 -3.307 -8.558 -8.027 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.934 -6.466 -7.055 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.855 -8.780 -8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.287 -7.053 -9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.588 -7.219 -8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.632 -5.848 -8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.049 -7.508 -10.721 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.294 -6.324 -9.629 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.714 -8.006 -9.655 1.00 0.00 H new ATOM 1143 N VAL A 78 -6.060 -7.581 -5.092 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.832 -8.167 -4.001 1.00 0.00 C ATOM 1145 C VAL A 78 -8.001 -7.288 -3.576 1.00 0.00 C ATOM 1146 O VAL A 78 -8.130 -6.144 -4.012 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.936 -8.385 -2.769 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -5.176 -9.695 -2.866 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.974 -7.218 -2.608 1.00 0.00 C ATOM 0 H VAL A 78 -5.719 -6.637 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.221 -9.114 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.576 -8.438 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.552 -9.820 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.883 -10.522 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.546 -9.685 -3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.345 -7.383 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.347 -7.138 -3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.540 -6.295 -2.479 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.832 -7.830 -2.687 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.974 -7.102 -2.152 1.00 0.00 C ATOM 1161 C ASP A 79 -9.539 -6.336 -0.912 1.00 0.00 C ATOM 1162 O ASP A 79 -9.240 -6.934 0.124 1.00 0.00 O ATOM 1163 CB ASP A 79 -11.118 -8.060 -1.808 1.00 0.00 C ATOM 1164 CG ASP A 79 -12.193 -8.087 -2.877 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -12.960 -7.107 -2.971 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -12.269 -9.090 -3.618 1.00 0.00 O ATOM 0 H ASP A 79 -8.732 -8.777 -2.322 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.337 -6.404 -2.907 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.718 -9.065 -1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.562 -7.764 -0.858 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.479 -5.017 -1.025 1.00 0.00 N ATOM 1172 CA ILE A 80 -9.046 -4.177 0.082 1.00 0.00 C ATOM 1173 C ILE A 80 -10.221 -3.482 0.763 1.00 0.00 C ATOM 1174 O ILE A 80 -11.334 -3.455 0.238 1.00 0.00 O ATOM 1175 CB ILE A 80 -8.040 -3.116 -0.406 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.762 -1.948 -1.086 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -7.037 -3.747 -1.362 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.148 -0.599 -0.775 1.00 0.00 C ATOM 0 H ILE A 80 -9.725 -4.505 -1.872 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.567 -4.831 0.810 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.506 -2.725 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.753 -2.103 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.806 -1.944 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.331 -2.989 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.497 -4.543 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.564 -4.162 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.708 0.183 -1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.182 -0.423 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.112 -0.584 -1.113 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.953 -2.896 1.928 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.969 -2.167 2.681 1.00 0.00 C ATOM 1192 C ILE A 81 -10.392 -0.868 3.228 1.00 0.00 C ATOM 1193 O ILE A 81 -9.259 -0.836 3.701 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.543 -2.987 3.857 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.629 -4.161 4.208 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.940 -3.485 3.526 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.203 -4.177 5.659 1.00 0.00 C ATOM 0 H ILE A 81 -9.035 -2.913 2.372 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.781 -1.962 1.983 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.601 -2.332 4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.143 -5.094 3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.741 -4.122 3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.329 -4.061 4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.594 -2.634 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -12.900 -4.118 2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.556 -5.036 5.839 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.661 -3.260 5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.085 -4.247 6.296 1.00 0.00 H new ATOM 1209 N SER A 82 -11.180 0.197 3.166 1.00 0.00 N ATOM 1210 CA SER A 82 -10.741 1.495 3.662 1.00 0.00 C ATOM 1211 C SER A 82 -11.169 1.687 5.112 1.00 0.00 C ATOM 1212 O SER A 82 -11.867 0.846 5.674 1.00 0.00 O ATOM 1213 CB SER A 82 -11.315 2.617 2.795 1.00 0.00 C ATOM 1214 OG SER A 82 -11.583 2.161 1.481 1.00 0.00 O ATOM 0 H SER A 82 -12.124 0.188 2.779 1.00 0.00 H new ATOM 0 HA SER A 82 -9.653 1.531 3.612 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.232 2.996 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.611 3.448 2.758 1.00 0.00 H new ATOM 0 HG SER A 82 -12.539 2.262 1.288 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.730 2.789 5.712 1.00 0.00 N ATOM 1221 CA ARG A 83 -11.062 3.090 7.108 1.00 0.00 C ATOM 1222 C ARG A 83 -12.529 2.790 7.423 1.00 0.00 C ATOM 1223 O ARG A 83 -12.858 2.367 8.531 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.768 4.558 7.420 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.706 5.529 6.718 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.962 6.753 6.208 1.00 0.00 C ATOM 1227 NE ARG A 83 -11.544 7.995 6.708 1.00 0.00 N ATOM 1228 CZ ARG A 83 -12.594 8.595 6.152 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -13.173 8.070 5.082 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -13.064 9.723 6.671 1.00 0.00 N ATOM 0 H ARG A 83 -10.144 3.490 5.258 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.441 2.447 7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.837 4.713 8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.742 4.784 7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.195 5.025 5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.491 5.840 7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.917 6.694 6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.977 6.758 5.118 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.122 8.427 7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.814 7.203 4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.977 8.533 4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.620 10.129 7.495 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.869 10.184 6.246 1.00 0.00 H new ATOM 1244 N SER A 84 -13.407 3.024 6.450 1.00 0.00 N ATOM 1245 CA SER A 84 -14.837 2.789 6.637 1.00 0.00 C ATOM 1246 C SER A 84 -15.250 1.410 6.133 1.00 0.00 C ATOM 1247 O SER A 84 -16.312 0.902 6.497 1.00 0.00 O ATOM 1248 CB SER A 84 -15.649 3.869 5.918 1.00 0.00 C ATOM 1249 OG SER A 84 -14.867 5.030 5.691 1.00 0.00 O ATOM 0 H SER A 84 -13.154 3.375 5.526 1.00 0.00 H new ATOM 0 HA SER A 84 -15.041 2.832 7.707 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.014 3.481 4.967 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.524 4.127 6.514 1.00 0.00 H new ATOM 0 HG SER A 84 -15.408 5.704 5.229 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.416 0.806 5.294 1.00 0.00 N ATOM 1256 CA GLY A 85 -14.721 -0.504 4.757 1.00 0.00 C ATOM 1257 C GLY A 85 -15.358 -0.414 3.388 1.00 0.00 C ATOM 1258 O GLY A 85 -16.498 0.030 3.251 1.00 0.00 O ATOM 0 H GLY A 85 -13.532 1.203 4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.806 -1.093 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.392 -1.029 5.437 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.612 -0.826 2.372 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.099 -0.780 1.001 1.00 0.00 C ATOM 1264 C GLU A 86 -15.205 -2.184 0.414 1.00 0.00 C ATOM 1265 O GLU A 86 -16.150 -2.492 -0.311 1.00 0.00 O ATOM 1266 CB GLU A 86 -14.163 0.077 0.148 1.00 0.00 C ATOM 1267 CG GLU A 86 -14.729 1.444 -0.199 1.00 0.00 C ATOM 1268 CD GLU A 86 -15.332 2.151 1.001 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -14.574 2.814 1.741 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -16.560 2.041 1.201 1.00 0.00 O ATOM 0 H GLU A 86 -13.667 -1.196 2.472 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.094 -0.336 1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.221 0.209 0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.937 -0.457 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.938 2.064 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.491 1.332 -0.970 1.00 0.00 H new ATOM 1277 N LYS A 87 -14.226 -3.027 0.734 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.201 -4.401 0.241 1.00 0.00 C ATOM 1279 C LYS A 87 -14.313 -4.428 -1.279 1.00 0.00 C ATOM 1280 O LYS A 87 -15.029 -5.252 -1.847 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.332 -5.218 0.869 1.00 0.00 C ATOM 1282 CG LYS A 87 -14.889 -6.053 2.060 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.679 -5.703 3.310 1.00 0.00 C ATOM 1284 CE LYS A 87 -16.361 -6.928 3.901 1.00 0.00 C ATOM 1285 NZ LYS A 87 -16.498 -6.827 5.380 1.00 0.00 N ATOM 0 H LYS A 87 -13.438 -2.782 1.334 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.249 -4.848 0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.126 -4.541 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.757 -5.877 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.017 -7.111 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.826 -5.893 2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.012 -5.263 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.428 -4.949 3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.347 -7.046 3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.787 -7.820 3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.967 -7.681 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.555 -6.739 5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.067 -5.990 5.620 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.595 -3.520 -1.931 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.606 -3.431 -3.385 1.00 0.00 C ATOM 1301 C ILE A 88 -12.334 -4.032 -3.976 1.00 0.00 C ATOM 1302 O ILE A 88 -11.254 -3.903 -3.398 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.743 -1.972 -3.860 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.664 -1.097 -3.216 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -15.130 -1.438 -3.532 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -12.419 0.203 -3.953 1.00 0.00 C ATOM 0 H ILE A 88 -12.996 -2.833 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.470 -3.997 -3.733 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.608 -1.944 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -12.954 -0.874 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.732 -1.660 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -15.213 -0.406 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.882 -2.047 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.290 -1.478 -2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.643 0.771 -3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -12.098 -0.012 -4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.339 0.786 -3.977 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.440 -4.701 -5.137 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.294 -5.319 -5.796 1.00 0.00 C ATOM 1320 C PRO A 89 -10.400 -4.290 -6.478 1.00 0.00 C ATOM 1321 O PRO A 89 -10.876 -3.465 -7.258 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.918 -6.254 -6.841 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.399 -6.191 -6.629 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.675 -4.909 -5.898 1.00 0.00 C ATOM 0 HA PRO A 89 -10.654 -5.836 -5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.656 -5.939 -7.851 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.551 -7.273 -6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.928 -6.215 -7.582 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.744 -7.048 -6.051 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.871 -4.085 -6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.544 -4.994 -5.245 1.00 0.00 H new ATOM 1332 N VAL A 90 -9.104 -4.349 -6.188 1.00 0.00 N ATOM 1333 CA VAL A 90 -8.143 -3.426 -6.783 1.00 0.00 C ATOM 1334 C VAL A 90 -6.789 -4.101 -6.964 1.00 0.00 C ATOM 1335 O VAL A 90 -6.528 -5.156 -6.388 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.957 -2.150 -5.934 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -9.279 -1.423 -5.740 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -7.326 -2.486 -4.594 1.00 0.00 C ATOM 0 H VAL A 90 -8.695 -5.026 -5.544 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.548 -3.138 -7.753 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.284 -1.483 -6.473 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.117 -0.528 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.684 -1.139 -6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.984 -2.080 -5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.203 -1.573 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.970 -3.179 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.352 -2.947 -4.756 1.00 0.00 H new ATOM 1348 N SER A 91 -5.933 -3.482 -7.767 1.00 0.00 N ATOM 1349 CA SER A 91 -4.604 -4.017 -8.030 1.00 0.00 C ATOM 1350 C SER A 91 -3.556 -3.336 -7.160 1.00 0.00 C ATOM 1351 O SER A 91 -3.444 -2.111 -7.153 1.00 0.00 O ATOM 1352 CB SER A 91 -4.246 -3.838 -9.508 1.00 0.00 C ATOM 1353 OG SER A 91 -2.994 -4.432 -9.804 1.00 0.00 O ATOM 0 H SER A 91 -6.137 -2.606 -8.249 1.00 0.00 H new ATOM 0 HA SER A 91 -4.615 -5.079 -7.787 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.021 -4.286 -10.130 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.215 -2.776 -9.752 1.00 0.00 H new ATOM 0 HG SER A 91 -2.273 -3.855 -9.476 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.780 -4.134 -6.431 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.735 -3.597 -5.571 1.00 0.00 C ATOM 1361 C VAL A 92 -0.387 -4.223 -5.902 1.00 0.00 C ATOM 1362 O VAL A 92 -0.289 -5.429 -6.120 1.00 0.00 O ATOM 1363 CB VAL A 92 -2.039 -3.838 -4.080 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.917 -3.285 -3.210 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.375 -3.218 -3.700 1.00 0.00 C ATOM 0 H VAL A 92 -2.856 -5.151 -6.420 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.701 -2.523 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.103 -4.913 -3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.149 -3.464 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.019 -3.781 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.818 -2.213 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.572 -3.399 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.344 -2.144 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.168 -3.666 -4.299 1.00 0.00 H new ATOM 1375 N TRP A 93 0.653 -3.396 -5.937 1.00 0.00 N ATOM 1376 CA TRP A 93 1.994 -3.882 -6.237 1.00 0.00 C ATOM 1377 C TRP A 93 3.051 -3.117 -5.447 1.00 0.00 C ATOM 1378 O TRP A 93 3.325 -1.949 -5.719 1.00 0.00 O ATOM 1379 CB TRP A 93 2.298 -3.807 -7.742 1.00 0.00 C ATOM 1380 CG TRP A 93 1.424 -2.859 -8.517 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.086 -2.987 -8.771 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.840 -1.653 -9.166 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.356 -1.926 -9.523 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.702 -1.094 -9.781 1.00 0.00 C ATOM 1385 CE3 TRP A 93 3.063 -0.983 -9.280 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.753 0.095 -10.501 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 3.113 0.195 -9.996 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.965 0.726 -10.597 1.00 0.00 C ATOM 0 H TRP A 93 0.594 -2.393 -5.763 1.00 0.00 H new ATOM 0 HA TRP A 93 2.029 -4.929 -5.935 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.338 -3.509 -7.874 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.195 -4.805 -8.169 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.533 -3.804 -8.430 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.315 -1.781 -9.838 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.953 -1.381 -8.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.130 0.506 -10.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 4.053 0.717 -10.095 1.00 0.00 H new ATOM 0 HH2 TRP A 93 2.037 1.652 -11.148 1.00 0.00 H new ATOM 1399 N MET A 94 3.644 -3.795 -4.466 1.00 0.00 N ATOM 1400 CA MET A 94 4.676 -3.197 -3.630 1.00 0.00 C ATOM 1401 C MET A 94 6.063 -3.605 -4.111 1.00 0.00 C ATOM 1402 O MET A 94 6.294 -4.765 -4.452 1.00 0.00 O ATOM 1403 CB MET A 94 4.488 -3.618 -2.173 1.00 0.00 C ATOM 1404 CG MET A 94 4.537 -2.458 -1.192 1.00 0.00 C ATOM 1405 SD MET A 94 4.079 -2.956 0.481 1.00 0.00 S ATOM 1406 CE MET A 94 4.572 -1.515 1.423 1.00 0.00 C ATOM 0 H MET A 94 3.424 -4.763 -4.232 1.00 0.00 H new ATOM 0 HA MET A 94 4.587 -2.113 -3.702 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.530 -4.128 -2.072 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.262 -4.339 -1.909 1.00 0.00 H new ATOM 0 HG2 MET A 94 5.542 -2.037 -1.181 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.865 -1.670 -1.531 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.439 -1.760 2.036 1.00 0.00 H new ATOM 0 HE2 MET A 94 4.827 -0.704 0.741 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.750 -1.202 2.067 1.00 0.00 H new ATOM 1416 N LYS A 95 6.985 -2.647 -4.143 1.00 0.00 N ATOM 1417 CA LYS A 95 8.351 -2.916 -4.592 1.00 0.00 C ATOM 1418 C LYS A 95 9.341 -1.905 -4.019 1.00 0.00 C ATOM 1419 O LYS A 95 9.010 -0.736 -3.822 1.00 0.00 O ATOM 1420 CB LYS A 95 8.432 -2.906 -6.123 1.00 0.00 C ATOM 1421 CG LYS A 95 7.166 -2.422 -6.811 1.00 0.00 C ATOM 1422 CD LYS A 95 7.166 -0.912 -6.986 1.00 0.00 C ATOM 1423 CE LYS A 95 7.519 -0.517 -8.412 1.00 0.00 C ATOM 1424 NZ LYS A 95 8.748 0.322 -8.467 1.00 0.00 N ATOM 0 H LYS A 95 6.814 -1.681 -3.865 1.00 0.00 H new ATOM 0 HA LYS A 95 8.621 -3.906 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.263 -2.270 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.658 -3.914 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.075 -2.902 -7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.296 -2.721 -6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.184 -0.515 -6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.881 -0.464 -6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.665 -1.415 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.686 0.030 -8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.955 0.570 -9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.600 1.191 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.549 -0.209 -8.068 1.00 0.00 H new ATOM 1438 N ARG A 96 10.562 -2.370 -3.761 1.00 0.00 N ATOM 1439 CA ARG A 96 11.617 -1.516 -3.220 1.00 0.00 C ATOM 1440 C ARG A 96 12.218 -0.636 -4.311 1.00 0.00 C ATOM 1441 O ARG A 96 12.980 -1.105 -5.158 1.00 0.00 O ATOM 1442 CB ARG A 96 12.711 -2.369 -2.574 1.00 0.00 C ATOM 1443 CG ARG A 96 12.212 -3.240 -1.435 1.00 0.00 C ATOM 1444 CD ARG A 96 12.084 -4.694 -1.858 1.00 0.00 C ATOM 1445 NE ARG A 96 13.270 -5.165 -2.567 1.00 0.00 N ATOM 1446 CZ ARG A 96 13.300 -5.415 -3.873 1.00 0.00 C ATOM 1447 NH1 ARG A 96 12.211 -5.240 -4.611 1.00 0.00 N ATOM 1448 NH2 ARG A 96 14.419 -5.838 -4.443 1.00 0.00 N ATOM 0 H ARG A 96 10.845 -3.337 -3.919 1.00 0.00 H new ATOM 0 HA ARG A 96 11.175 -0.870 -2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.161 -3.005 -3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.498 -1.713 -2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.898 -3.165 -0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.244 -2.873 -1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.918 -5.314 -0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.209 -4.809 -2.498 1.00 0.00 H new ATOM 0 HE ARG A 96 14.125 -5.311 -2.030 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.348 -4.913 -4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.237 -5.433 -5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.259 -5.972 -3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.440 -6.029 -5.445 1.00 0.00 H new ATOM 1462 N MET A 97 11.856 0.642 -4.291 1.00 0.00 N ATOM 1463 CA MET A 97 12.337 1.600 -5.280 1.00 0.00 C ATOM 1464 C MET A 97 13.099 2.745 -4.620 1.00 0.00 C ATOM 1465 O MET A 97 13.534 3.682 -5.291 1.00 0.00 O ATOM 1466 CB MET A 97 11.153 2.173 -6.044 1.00 0.00 C ATOM 1467 CG MET A 97 10.230 2.975 -5.148 1.00 0.00 C ATOM 1468 SD MET A 97 9.713 4.534 -5.895 1.00 0.00 S ATOM 1469 CE MET A 97 8.449 3.958 -7.027 1.00 0.00 C ATOM 0 H MET A 97 11.226 1.041 -3.595 1.00 0.00 H new ATOM 0 HA MET A 97 13.013 1.077 -5.956 1.00 0.00 H new ATOM 0 HB2 MET A 97 11.517 2.809 -6.851 1.00 0.00 H new ATOM 0 HB3 MET A 97 10.593 1.360 -6.506 1.00 0.00 H new ATOM 0 HG2 MET A 97 9.348 2.378 -4.915 1.00 0.00 H new ATOM 0 HG3 MET A 97 10.735 3.179 -4.204 1.00 0.00 H new ATOM 0 HE1 MET A 97 7.765 4.776 -7.256 1.00 0.00 H new ATOM 0 HE2 MET A 97 8.917 3.608 -7.947 1.00 0.00 H new ATOM 0 HE3 MET A 97 7.895 3.139 -6.568 1.00 0.00 H new ATOM 1479 N ARG A 98 13.257 2.660 -3.304 1.00 0.00 N ATOM 1480 CA ARG A 98 13.967 3.685 -2.542 1.00 0.00 C ATOM 1481 C ARG A 98 13.283 5.042 -2.674 1.00 0.00 C ATOM 1482 O ARG A 98 12.297 5.189 -3.399 1.00 0.00 O ATOM 1483 CB ARG A 98 15.423 3.785 -3.004 1.00 0.00 C ATOM 1484 CG ARG A 98 16.287 2.618 -2.555 1.00 0.00 C ATOM 1485 CD ARG A 98 17.654 3.086 -2.080 1.00 0.00 C ATOM 1486 NE ARG A 98 18.454 3.630 -3.174 1.00 0.00 N ATOM 1487 CZ ARG A 98 19.736 3.967 -3.055 1.00 0.00 C ATOM 1488 NH1 ARG A 98 20.357 3.827 -1.891 1.00 0.00 N ATOM 1489 NH2 ARG A 98 20.396 4.446 -4.100 1.00 0.00 N ATOM 0 H ARG A 98 12.902 1.889 -2.739 1.00 0.00 H new ATOM 0 HA ARG A 98 13.948 3.392 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 98 15.446 3.846 -4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 98 15.853 4.712 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 98 15.785 2.081 -1.750 1.00 0.00 H new ATOM 0 HG3 ARG A 98 16.408 1.915 -3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 98 17.530 3.846 -1.309 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.185 2.251 -1.622 1.00 0.00 H new ATOM 0 HE ARG A 98 18.005 3.759 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.852 3.460 -1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.340 4.086 -1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.921 4.557 -4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 98 21.379 4.704 -4.008 1.00 0.00 H new ATOM 1503 N GLN A 99 13.818 6.032 -1.966 1.00 0.00 N ATOM 1504 CA GLN A 99 13.268 7.382 -1.994 1.00 0.00 C ATOM 1505 C GLN A 99 14.252 8.374 -1.380 1.00 0.00 C ATOM 1506 O GLN A 99 14.210 9.568 -1.678 1.00 0.00 O ATOM 1507 CB GLN A 99 11.937 7.430 -1.241 1.00 0.00 C ATOM 1508 CG GLN A 99 11.177 8.733 -1.429 1.00 0.00 C ATOM 1509 CD GLN A 99 10.152 8.655 -2.544 1.00 0.00 C ATOM 1510 OE1 GLN A 99 8.888 8.475 -2.173 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.490 8.756 -3.724 1.00 0.00 N flip ATOM 0 H GLN A 99 14.634 5.923 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 99 13.095 7.660 -3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.311 6.603 -1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.125 7.279 -0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.675 8.994 -0.497 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.884 9.534 -1.646 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.472 8.893 -3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.788 8.702 -4.462 1.00 0.00 H new ATOM 1520 N GLU A 100 15.135 7.867 -0.527 1.00 0.00 N ATOM 1521 CA GLU A 100 16.132 8.703 0.131 1.00 0.00 C ATOM 1522 C GLU A 100 17.493 8.014 0.138 1.00 0.00 C ATOM 1523 O GLU A 100 18.420 8.442 -0.549 1.00 0.00 O ATOM 1524 CB GLU A 100 15.700 9.020 1.564 1.00 0.00 C ATOM 1525 CG GLU A 100 15.280 10.467 1.766 1.00 0.00 C ATOM 1526 CD GLU A 100 14.464 10.668 3.029 1.00 0.00 C ATOM 1527 OE1 GLU A 100 14.087 9.660 3.662 1.00 0.00 O ATOM 1528 OE2 GLU A 100 14.201 11.837 3.384 1.00 0.00 O ATOM 0 H GLU A 100 15.181 6.880 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 100 16.216 9.635 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.870 8.368 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 100 16.522 8.791 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.169 11.097 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.697 10.796 0.905 1.00 0.00 H new ATOM 1535 N ARG A 101 17.598 6.945 0.917 1.00 0.00 N ATOM 1536 CA ARG A 101 18.838 6.186 1.019 1.00 0.00 C ATOM 1537 C ARG A 101 18.553 4.770 1.498 1.00 0.00 C ATOM 1538 O ARG A 101 19.469 4.011 1.812 1.00 0.00 O ATOM 1539 CB ARG A 101 19.813 6.877 1.976 1.00 0.00 C ATOM 1540 CG ARG A 101 19.138 7.510 3.181 1.00 0.00 C ATOM 1541 CD ARG A 101 19.703 8.892 3.471 1.00 0.00 C ATOM 1542 NE ARG A 101 20.571 8.893 4.644 1.00 0.00 N ATOM 1543 CZ ARG A 101 20.167 9.238 5.864 1.00 0.00 C ATOM 1544 NH1 ARG A 101 18.909 9.609 6.068 1.00 0.00 N ATOM 1545 NH2 ARG A 101 21.018 9.210 6.879 1.00 0.00 N ATOM 0 H ARG A 101 16.836 6.583 1.490 1.00 0.00 H new ATOM 0 HA ARG A 101 19.294 6.139 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 101 20.547 6.149 2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.360 7.646 1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.065 7.584 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 101 19.272 6.870 4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.264 9.243 2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.883 9.594 3.626 1.00 0.00 H new ATOM 0 HE ARG A 101 21.544 8.613 4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 101 18.251 9.630 5.289 1.00 0.00 H new ATOM 0 HH12 ARG A 101 18.601 9.873 7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 101 21.985 8.924 6.726 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.706 9.475 7.813 1.00 0.00 H new ATOM 1559 N ARG A 102 17.270 4.425 1.553 1.00 0.00 N ATOM 1560 CA ARG A 102 16.853 3.099 1.996 1.00 0.00 C ATOM 1561 C ARG A 102 15.840 2.497 1.027 1.00 0.00 C ATOM 1562 O ARG A 102 15.023 3.212 0.447 1.00 0.00 O ATOM 1563 CB ARG A 102 16.244 3.173 3.402 1.00 0.00 C ATOM 1564 CG ARG A 102 14.794 3.640 3.417 1.00 0.00 C ATOM 1565 CD ARG A 102 14.169 3.515 4.800 1.00 0.00 C ATOM 1566 NE ARG A 102 14.989 4.140 5.834 1.00 0.00 N ATOM 1567 CZ ARG A 102 15.527 3.478 6.855 1.00 0.00 C ATOM 1568 NH1 ARG A 102 15.350 2.168 6.969 1.00 0.00 N ATOM 1569 NH2 ARG A 102 16.247 4.127 7.762 1.00 0.00 N ATOM 0 H ARG A 102 16.502 5.045 1.296 1.00 0.00 H new ATOM 0 HA ARG A 102 17.735 2.459 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 102 16.304 2.189 3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 102 16.841 3.851 4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.744 4.678 3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 102 14.216 3.052 2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.181 3.976 4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.027 2.461 5.039 1.00 0.00 H new ATOM 0 HE ARG A 102 15.159 5.144 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 102 14.800 1.665 6.273 1.00 0.00 H new ATOM 0 HH12 ARG A 102 15.764 1.664 7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 102 16.388 5.134 7.676 1.00 0.00 H new ATOM 0 HH22 ARG A 102 16.659 3.619 8.545 1.00 0.00 H new ATOM 1583 N LEU A 103 15.885 1.177 0.869 1.00 0.00 N ATOM 1584 CA LEU A 103 14.951 0.488 -0.015 1.00 0.00 C ATOM 1585 C LEU A 103 13.528 0.743 0.463 1.00 0.00 C ATOM 1586 O LEU A 103 13.057 0.105 1.408 1.00 0.00 O ATOM 1587 CB LEU A 103 15.233 -1.018 -0.057 1.00 0.00 C ATOM 1588 CG LEU A 103 16.384 -1.498 0.832 1.00 0.00 C ATOM 1589 CD1 LEU A 103 16.193 -2.957 1.214 1.00 0.00 C ATOM 1590 CD2 LEU A 103 17.718 -1.299 0.127 1.00 0.00 C ATOM 0 H LEU A 103 16.554 0.567 1.338 1.00 0.00 H new ATOM 0 HA LEU A 103 15.076 0.876 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.326 -1.548 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 103 15.450 -1.301 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 103 16.385 -0.904 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.021 -3.279 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.256 -3.071 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.165 -3.569 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 103 18.526 -1.645 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.727 -1.868 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 103 17.858 -0.241 -0.094 1.00 0.00 H new ATOM 1602 N CYS A 104 12.856 1.696 -0.172 1.00 0.00 N ATOM 1603 CA CYS A 104 11.500 2.055 0.213 1.00 0.00 C ATOM 1604 C CYS A 104 10.458 1.249 -0.548 1.00 0.00 C ATOM 1605 O CYS A 104 10.474 1.188 -1.776 1.00 0.00 O ATOM 1606 CB CYS A 104 11.268 3.550 -0.014 1.00 0.00 C ATOM 1607 SG CYS A 104 12.183 4.621 1.122 1.00 0.00 S ATOM 0 H CYS A 104 13.229 2.233 -0.955 1.00 0.00 H new ATOM 0 HA CYS A 104 11.389 1.822 1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.549 3.799 -1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 104 10.203 3.760 0.084 1.00 0.00 H new ATOM 0 HG CYS A 104 13.443 4.303 1.098 1.00 0.00 H new ATOM 1613 N CYS A 105 9.541 0.649 0.201 1.00 0.00 N ATOM 1614 CA CYS A 105 8.468 -0.140 -0.379 1.00 0.00 C ATOM 1615 C CYS A 105 7.356 0.783 -0.871 1.00 0.00 C ATOM 1616 O CYS A 105 6.805 1.568 -0.100 1.00 0.00 O ATOM 1617 CB CYS A 105 7.923 -1.117 0.666 1.00 0.00 C ATOM 1618 SG CYS A 105 7.603 -2.778 0.030 1.00 0.00 S ATOM 0 H CYS A 105 9.522 0.696 1.220 1.00 0.00 H new ATOM 0 HA CYS A 105 8.853 -0.708 -1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.635 -1.186 1.489 1.00 0.00 H new ATOM 0 HB3 CYS A 105 6.998 -0.713 1.077 1.00 0.00 H new ATOM 0 HG CYS A 105 6.361 -3.095 0.249 1.00 0.00 H new ATOM 1624 N VAL A 106 7.035 0.691 -2.157 1.00 0.00 N ATOM 1625 CA VAL A 106 5.997 1.528 -2.744 1.00 0.00 C ATOM 1626 C VAL A 106 4.842 0.687 -3.277 1.00 0.00 C ATOM 1627 O VAL A 106 5.048 -0.275 -4.013 1.00 0.00 O ATOM 1628 CB VAL A 106 6.558 2.402 -3.884 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.431 3.007 -4.713 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.455 3.493 -3.323 1.00 0.00 C ATOM 0 H VAL A 106 7.478 0.046 -2.811 1.00 0.00 H new ATOM 0 HA VAL A 106 5.628 2.176 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 106 7.153 1.766 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.854 3.619 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.830 2.208 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.802 3.627 -4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.843 4.101 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.881 4.122 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.286 3.039 -2.783 1.00 0.00 H new ATOM 1640 N VAL A 107 3.626 1.077 -2.910 1.00 0.00 N ATOM 1641 CA VAL A 107 2.424 0.383 -3.355 1.00 0.00 C ATOM 1642 C VAL A 107 1.599 1.282 -4.257 1.00 0.00 C ATOM 1643 O VAL A 107 1.517 2.490 -4.033 1.00 0.00 O ATOM 1644 CB VAL A 107 1.522 -0.019 -2.176 1.00 0.00 C ATOM 1645 CG1 VAL A 107 1.678 -1.483 -1.812 1.00 0.00 C ATOM 1646 CG2 VAL A 107 1.787 0.881 -0.992 1.00 0.00 C ATOM 0 H VAL A 107 3.447 1.876 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 107 2.762 -0.509 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 107 0.485 0.111 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.022 -1.722 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.412 -2.101 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.712 -1.680 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.144 0.589 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.831 0.790 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.578 1.915 -1.267 1.00 0.00 H new ATOM 1656 N VAL A 108 0.966 0.692 -5.255 1.00 0.00 N ATOM 1657 CA VAL A 108 0.124 1.452 -6.160 1.00 0.00 C ATOM 1658 C VAL A 108 -1.212 0.746 -6.350 1.00 0.00 C ATOM 1659 O VAL A 108 -1.298 -0.259 -7.055 1.00 0.00 O ATOM 1660 CB VAL A 108 0.794 1.670 -7.528 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.092 2.783 -8.293 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.273 1.983 -7.360 1.00 0.00 C ATOM 0 H VAL A 108 1.019 -0.306 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.036 2.431 -5.708 1.00 0.00 H new ATOM 0 HB VAL A 108 0.706 0.749 -8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.579 2.924 -9.258 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.953 2.514 -8.449 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.147 3.709 -7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.727 2.133 -8.340 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.388 2.888 -6.764 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.766 1.152 -6.856 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.249 1.267 -5.700 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.573 0.669 -5.785 1.00 0.00 C ATOM 1674 C LEU A 109 -4.372 1.248 -6.945 1.00 0.00 C ATOM 1675 O LEU A 109 -4.706 2.432 -6.960 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.333 0.881 -4.474 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.460 1.233 -3.268 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.323 1.681 -2.105 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -2.596 0.047 -2.864 1.00 0.00 C ATOM 0 H LEU A 109 -2.196 2.099 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.445 -0.399 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.063 1.678 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.893 -0.026 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.801 2.055 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.688 1.928 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.898 2.560 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.005 0.877 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.983 0.319 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.235 -0.796 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.950 -0.233 -3.696 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.678 0.394 -7.915 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.442 0.801 -9.083 1.00 0.00 C ATOM 1693 C GLU A 110 -6.815 0.136 -9.077 1.00 0.00 C ATOM 1694 O GLU A 110 -6.918 -1.088 -9.156 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.679 0.449 -10.360 1.00 0.00 C ATOM 1696 CG GLU A 110 -5.544 0.413 -11.611 1.00 0.00 C ATOM 1697 CD GLU A 110 -4.978 -0.496 -12.684 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -3.843 -0.243 -13.138 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -5.669 -1.462 -13.071 1.00 0.00 O ATOM 0 H GLU A 110 -4.406 -0.589 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.584 1.881 -9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.880 1.176 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.205 -0.524 -10.231 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -6.546 0.076 -11.346 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.642 1.423 -12.010 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.892 0.933 -8.981 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.257 0.406 -8.967 1.00 0.00 C ATOM 1708 C PRO A 111 -9.556 -0.406 -10.222 1.00 0.00 C ATOM 1709 O PRO A 111 -9.263 0.034 -11.335 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.141 1.661 -8.912 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.253 2.792 -9.308 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.865 2.401 -8.889 1.00 0.00 C ATOM 0 HA PRO A 111 -9.426 -0.271 -8.130 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.990 1.573 -9.590 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.546 1.812 -7.911 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.301 2.966 -10.383 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.561 3.717 -8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.109 2.833 -9.545 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.639 2.738 -7.877 1.00 0.00 H new ATOM 1720 N VAL A 112 -10.135 -1.589 -10.045 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.462 -2.449 -11.177 1.00 0.00 C ATOM 1722 C VAL A 112 -11.605 -1.869 -11.999 1.00 0.00 C ATOM 1723 O VAL A 112 -12.426 -1.106 -11.489 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.840 -3.872 -10.717 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.717 -4.485 -9.892 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -12.142 -3.853 -9.931 1.00 0.00 C ATOM 0 H VAL A 112 -10.386 -1.973 -9.134 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.567 -2.505 -11.797 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.987 -4.491 -11.602 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.003 -5.489 -9.577 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.810 -4.538 -10.495 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.533 -3.868 -9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.391 -4.866 -9.616 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.028 -3.217 -9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.941 -3.462 -10.560 1.00 0.00 H new