USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 587 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -56:sc= 0.254 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 170:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.108 F(o=-1.1,f=-0.11) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 31:sc= 0.129 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 154:sc= 0.0505 USER MOD ----------------------------------------------------------------- ATOM 69 N GLU A 6 -6.087 -15.255 -2.268 1.00 0.00 N ATOM 70 CA GLU A 6 -6.753 -14.297 -3.294 1.00 0.00 C ATOM 71 C GLU A 6 -6.126 -12.849 -3.372 1.00 0.00 C ATOM 72 O GLU A 6 -6.053 -12.133 -2.349 1.00 0.00 O ATOM 73 CB GLU A 6 -8.407 -14.324 -3.290 1.00 0.00 C ATOM 74 CG GLU A 6 -9.198 -14.019 -1.927 1.00 0.00 C ATOM 75 CD GLU A 6 -10.736 -14.069 -2.055 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.324 -15.164 -1.845 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.354 -13.007 -2.336 1.00 0.00 O ATOM 0 HA GLU A 6 -6.481 -14.740 -4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.747 -13.604 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.719 -15.310 -3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.885 -14.739 -1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.908 -13.032 -1.566 1.00 0.00 H new ATOM 84 N TYR A 7 -5.672 -12.469 -4.652 1.00 0.00 N ATOM 85 CA TYR A 7 -5.018 -11.121 -5.028 1.00 0.00 C ATOM 86 C TYR A 7 -5.974 -10.189 -5.871 1.00 0.00 C ATOM 87 O TYR A 7 -6.771 -10.688 -6.743 1.00 0.00 O ATOM 88 CB TYR A 7 -3.621 -11.345 -5.814 1.00 0.00 C ATOM 89 CG TYR A 7 -2.445 -12.120 -5.094 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.389 -13.532 -5.066 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.396 -11.425 -4.511 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.352 -14.199 -4.468 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.327 -12.097 -3.912 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.315 -13.484 -3.891 1.00 0.00 C ATOM 95 OH TYR A 7 0.736 -14.151 -3.304 1.00 0.00 O ATOM 0 H TYR A 7 -5.752 -13.095 -5.453 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.817 -10.610 -4.086 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.846 -11.877 -6.738 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.242 -10.363 -6.096 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.184 -14.100 -5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.405 -10.345 -4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.343 -15.279 -4.447 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.485 -11.540 -3.468 1.00 0.00 H new ATOM 0 HH TYR A 7 1.378 -13.501 -2.948 1.00 0.00 H new ATOM 105 N GLU A 8 -5.868 -8.800 -5.571 1.00 0.00 N ATOM 106 CA GLU A 8 -6.703 -7.675 -6.208 1.00 0.00 C ATOM 107 C GLU A 8 -5.842 -6.509 -6.815 1.00 0.00 C ATOM 108 O GLU A 8 -4.844 -6.048 -6.188 1.00 0.00 O ATOM 109 CB GLU A 8 -7.830 -7.097 -5.198 1.00 0.00 C ATOM 110 CG GLU A 8 -9.333 -7.562 -5.414 1.00 0.00 C ATOM 111 CD GLU A 8 -9.715 -9.007 -4.933 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.112 -9.162 -3.750 1.00 0.00 O ATOM 113 OE2 GLU A 8 -9.634 -9.955 -5.754 1.00 0.00 O ATOM 0 H GLU A 8 -5.201 -8.448 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.212 -8.149 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.539 -7.368 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.805 -6.009 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.983 -6.853 -4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.559 -7.490 -6.478 1.00 0.00 H new ATOM 120 N GLU A 9 -6.258 -6.070 -8.106 1.00 0.00 N ATOM 121 CA GLU A 9 -5.684 -4.888 -8.882 1.00 0.00 C ATOM 122 C GLU A 9 -6.687 -3.642 -8.934 1.00 0.00 C ATOM 123 O GLU A 9 -7.794 -3.732 -9.571 1.00 0.00 O ATOM 124 CB GLU A 9 -5.019 -5.299 -10.324 1.00 0.00 C ATOM 125 CG GLU A 9 -5.904 -6.047 -11.445 1.00 0.00 C ATOM 126 CD GLU A 9 -5.139 -6.377 -12.744 1.00 0.00 C ATOM 127 OE1 GLU A 9 -4.556 -7.491 -12.836 1.00 0.00 O ATOM 128 OE2 GLU A 9 -5.147 -5.534 -13.681 1.00 0.00 O ATOM 0 H GLU A 9 -7.003 -6.543 -8.617 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.829 -4.535 -8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.634 -4.384 -10.774 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.160 -5.936 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.296 -6.972 -11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.761 -5.421 -11.692 1.00 0.00 H new ATOM 135 N ILE A 10 -6.276 -2.503 -8.195 1.00 0.00 N ATOM 136 CA ILE A 10 -7.085 -1.182 -8.069 1.00 0.00 C ATOM 137 C ILE A 10 -6.277 0.009 -8.842 1.00 0.00 C ATOM 138 O ILE A 10 -5.019 0.057 -8.792 1.00 0.00 O ATOM 139 CB ILE A 10 -7.469 -0.830 -6.430 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.287 -2.035 -5.706 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.248 0.572 -6.191 1.00 0.00 C ATOM 142 CD1 ILE A 10 -7.950 -2.286 -4.194 1.00 0.00 C ATOM 0 H ILE A 10 -5.395 -2.477 -7.682 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.054 -1.284 -8.557 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.489 -0.726 -5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.353 -1.825 -5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.100 -2.957 -6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.445 0.702 -5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.632 1.396 -6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.192 0.561 -6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.555 -3.111 -3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.894 -2.535 -4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.167 -1.386 -3.619 1.00 0.00 H new ATOM 154 N THR A 11 -7.092 0.932 -9.549 1.00 0.00 N ATOM 155 CA THR A 11 -6.599 2.189 -10.282 1.00 0.00 C ATOM 156 C THR A 11 -7.313 3.482 -9.644 1.00 0.00 C ATOM 157 O THR A 11 -8.585 3.571 -9.575 1.00 0.00 O ATOM 158 CB THR A 11 -6.792 2.111 -11.933 1.00 0.00 C ATOM 159 OG1 THR A 11 -6.559 0.764 -12.410 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.757 3.008 -12.699 1.00 0.00 C ATOM 0 H THR A 11 -8.103 0.813 -9.618 1.00 0.00 H new ATOM 0 HA THR A 11 -5.521 2.264 -10.137 1.00 0.00 H new ATOM 0 HB THR A 11 -7.810 2.450 -12.123 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.678 0.736 -13.382 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.925 2.922 -13.772 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.881 4.047 -12.395 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.745 2.679 -12.463 1.00 0.00 H new ATOM 168 N LEU A 12 -6.402 4.450 -9.181 1.00 0.00 N ATOM 169 CA LEU A 12 -6.719 5.791 -8.548 1.00 0.00 C ATOM 170 C LEU A 12 -6.141 6.995 -9.370 1.00 0.00 C ATOM 171 O LEU A 12 -5.014 6.914 -9.954 1.00 0.00 O ATOM 172 CB LEU A 12 -6.185 5.877 -6.970 1.00 0.00 C ATOM 173 CG LEU A 12 -7.166 5.756 -5.668 1.00 0.00 C ATOM 174 CD1 LEU A 12 -8.274 6.835 -5.538 1.00 0.00 C ATOM 175 CD2 LEU A 12 -7.720 4.345 -5.405 1.00 0.00 C ATOM 0 H LEU A 12 -5.396 4.296 -9.249 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.806 5.870 -8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.434 5.095 -6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.668 6.832 -6.875 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.463 5.975 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.859 6.649 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.815 7.822 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.927 6.793 -6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.359 4.364 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.301 4.016 -6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.893 3.654 -5.240 1.00 0.00 H new ATOM 284 N GLY A 20 -6.393 9.903 0.777 1.00 0.00 N ATOM 285 CA GLY A 20 -7.253 9.448 1.946 1.00 0.00 C ATOM 286 C GLY A 20 -6.792 8.182 2.713 1.00 0.00 C ATOM 287 O GLY A 20 -7.667 7.455 3.248 1.00 0.00 O ATOM 0 HA2 GLY A 20 -7.317 10.270 2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.262 9.269 1.574 1.00 0.00 H new ATOM 291 N PHE A 21 -5.376 7.920 2.760 1.00 0.00 N ATOM 292 CA PHE A 21 -4.656 6.790 3.498 1.00 0.00 C ATOM 293 C PHE A 21 -3.127 7.216 3.798 1.00 0.00 C ATOM 294 O PHE A 21 -2.621 8.220 3.184 1.00 0.00 O ATOM 295 CB PHE A 21 -4.789 5.331 2.686 1.00 0.00 C ATOM 296 CG PHE A 21 -4.023 5.052 1.303 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.423 5.635 0.058 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.946 4.163 1.294 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.748 5.319 -1.126 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.281 3.850 0.114 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.682 4.425 -1.092 1.00 0.00 C ATOM 0 H PHE A 21 -4.718 8.521 2.264 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.144 6.628 4.459 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.473 4.554 3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.850 5.174 2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.253 6.325 0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.624 3.711 2.220 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.052 5.766 -2.061 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.451 3.159 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.162 4.175 -2.005 1.00 0.00 H new ATOM 311 N SER A 22 -2.399 6.447 4.776 1.00 0.00 N ATOM 312 CA SER A 22 -0.903 6.574 5.070 1.00 0.00 C ATOM 313 C SER A 22 -0.215 5.155 5.154 1.00 0.00 C ATOM 314 O SER A 22 -0.857 4.163 5.659 1.00 0.00 O ATOM 315 CB SER A 22 -0.602 7.455 6.327 1.00 0.00 C ATOM 316 OG SER A 22 -0.923 8.826 6.124 1.00 0.00 O ATOM 0 H SER A 22 -2.854 5.742 5.356 1.00 0.00 H new ATOM 0 HA SER A 22 -0.460 7.104 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.169 7.075 7.177 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.454 7.367 6.583 1.00 0.00 H new ATOM 0 HG SER A 22 -0.442 9.162 5.339 1.00 0.00 H new ATOM 322 N ILE A 23 1.126 5.056 4.640 1.00 0.00 N ATOM 323 CA ILE A 23 1.936 3.722 4.495 1.00 0.00 C ATOM 324 C ILE A 23 3.274 3.523 5.284 1.00 0.00 C ATOM 325 O ILE A 23 4.168 4.401 5.278 1.00 0.00 O ATOM 326 CB ILE A 23 1.925 2.980 3.024 1.00 0.00 C ATOM 327 CG1 ILE A 23 2.047 3.877 1.664 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.688 2.143 2.980 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.405 4.552 1.251 1.00 0.00 C ATOM 0 H ILE A 23 1.651 5.873 4.328 1.00 0.00 H new ATOM 0 HA ILE A 23 1.245 3.150 5.114 1.00 0.00 H new ATOM 0 HB ILE A 23 2.864 2.428 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.744 3.239 0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.307 4.673 1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.632 1.627 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.716 1.409 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.187 2.781 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.270 5.100 0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.722 5.241 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.166 3.784 1.113 1.00 0.00 H new ATOM 341 N ALA A 24 3.355 2.249 5.982 1.00 0.00 N ATOM 342 CA ALA A 24 4.521 1.762 6.835 1.00 0.00 C ATOM 343 C ALA A 24 5.374 0.685 6.063 1.00 0.00 C ATOM 344 O ALA A 24 4.844 -0.410 5.670 1.00 0.00 O ATOM 345 CB ALA A 24 4.016 1.221 8.225 1.00 0.00 C ATOM 0 H ALA A 24 2.596 1.568 5.941 1.00 0.00 H new ATOM 0 HA ALA A 24 5.174 2.611 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.868 0.880 8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.501 2.018 8.760 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.330 0.390 8.064 1.00 0.00 H new ATOM 351 N GLY A 25 6.699 1.048 5.847 1.00 0.00 N ATOM 352 CA GLY A 25 7.696 0.228 5.074 1.00 0.00 C ATOM 353 C GLY A 25 9.139 0.723 5.165 1.00 0.00 C ATOM 354 O GLY A 25 9.377 1.939 5.458 1.00 0.00 O ATOM 0 H GLY A 25 7.093 1.917 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.656 -0.800 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.397 0.212 4.026 1.00 0.00 H new ATOM 358 N GLY A 26 10.111 -0.252 4.902 1.00 0.00 N ATOM 359 CA GLY A 26 11.591 0.017 5.055 1.00 0.00 C ATOM 360 C GLY A 26 12.562 -1.149 4.839 1.00 0.00 C ATOM 361 O GLY A 26 12.239 -2.320 5.160 1.00 0.00 O ATOM 0 H GLY A 26 9.891 -1.199 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.860 0.809 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.757 0.408 6.059 1.00 0.00 H new ATOM 365 N THR A 27 13.780 -0.775 4.255 1.00 0.00 N ATOM 366 CA THR A 27 15.080 -1.635 4.212 1.00 0.00 C ATOM 367 C THR A 27 16.164 -1.161 5.279 1.00 0.00 C ATOM 368 O THR A 27 16.896 -2.028 5.853 1.00 0.00 O ATOM 369 CB THR A 27 15.763 -1.848 2.762 1.00 0.00 C ATOM 370 OG1 THR A 27 15.845 -0.644 1.978 1.00 0.00 O ATOM 371 CG2 THR A 27 15.139 -3.011 1.973 1.00 0.00 C ATOM 0 H THR A 27 13.899 0.129 3.798 1.00 0.00 H new ATOM 0 HA THR A 27 14.709 -2.623 4.487 1.00 0.00 H new ATOM 0 HB THR A 27 16.793 -2.131 2.977 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.268 -0.843 1.117 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.638 -3.106 1.009 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.258 -3.937 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.078 -2.816 1.815 1.00 0.00 H new ATOM 379 N ASP A 28 16.208 0.250 5.546 1.00 0.00 N ATOM 380 CA ASP A 28 17.117 0.941 6.568 1.00 0.00 C ATOM 381 C ASP A 28 16.333 1.441 7.882 1.00 0.00 C ATOM 382 O ASP A 28 16.911 1.377 9.010 1.00 0.00 O ATOM 383 CB ASP A 28 18.004 2.127 5.925 1.00 0.00 C ATOM 384 CG ASP A 28 19.128 1.676 4.949 1.00 0.00 C ATOM 385 OD1 ASP A 28 18.857 1.575 3.727 1.00 0.00 O ATOM 386 OD2 ASP A 28 20.270 1.446 5.417 1.00 0.00 O ATOM 0 H ASP A 28 15.609 0.910 5.049 1.00 0.00 H new ATOM 0 HA ASP A 28 17.810 0.165 6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.338 2.807 5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.459 2.696 6.736 1.00 0.00 H new ATOM 391 N ASN A 29 14.970 1.899 7.692 1.00 0.00 N ATOM 392 CA ASN A 29 14.030 2.437 8.748 1.00 0.00 C ATOM 393 C ASN A 29 12.932 1.259 9.231 1.00 0.00 C ATOM 394 O ASN A 29 12.176 0.753 8.345 1.00 0.00 O ATOM 395 CB ASN A 29 13.328 3.801 8.192 1.00 0.00 C ATOM 396 CG ASN A 29 12.664 4.743 9.257 1.00 0.00 C ATOM 397 OD1 ASN A 29 13.322 5.625 9.820 1.00 0.00 O ATOM 398 ND2 ASN A 29 11.360 4.563 9.496 1.00 0.00 N ATOM 0 H ASN A 29 14.534 1.884 6.770 1.00 0.00 H new ATOM 0 HA ASN A 29 14.584 2.701 9.649 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.082 4.376 7.654 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.565 3.518 7.467 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.876 5.165 10.162 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.850 3.824 9.012 1.00 0.00 H new ATOM 501 N SER A 37 9.192 -5.921 4.206 1.00 0.00 N ATOM 502 CA SER A 37 7.886 -5.748 3.396 1.00 0.00 C ATOM 503 C SER A 37 6.972 -4.516 3.884 1.00 0.00 C ATOM 504 O SER A 37 6.960 -4.181 5.111 1.00 0.00 O ATOM 505 CB SER A 37 7.079 -7.135 3.311 1.00 0.00 C ATOM 506 OG SER A 37 6.742 -7.691 4.597 1.00 0.00 O ATOM 0 HA SER A 37 8.181 -5.474 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.163 -6.977 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.677 -7.859 2.758 1.00 0.00 H new ATOM 0 HG SER A 37 6.252 -8.531 4.472 1.00 0.00 H new ATOM 512 N ILE A 38 6.205 -3.859 2.863 1.00 0.00 N ATOM 513 CA ILE A 38 5.318 -2.605 3.066 1.00 0.00 C ATOM 514 C ILE A 38 3.764 -3.054 3.321 1.00 0.00 C ATOM 515 O ILE A 38 3.195 -3.857 2.536 1.00 0.00 O ATOM 516 CB ILE A 38 5.493 -1.415 1.811 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.979 -1.233 1.018 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.937 0.023 2.171 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.382 -1.396 1.748 1.00 0.00 C ATOM 0 H ILE A 38 6.196 -4.191 1.899 1.00 0.00 H new ATOM 0 HA ILE A 38 5.672 -2.093 3.961 1.00 0.00 H new ATOM 0 HB ILE A 38 4.851 -1.915 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.977 -1.944 0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.974 -0.235 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.091 0.695 1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.872 -0.044 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.465 0.409 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.186 -1.232 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.460 -0.666 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.463 -2.402 2.161 1.00 0.00 H new ATOM 531 N PHE A 39 3.157 -2.489 4.475 1.00 0.00 N ATOM 532 CA PHE A 39 1.739 -2.770 5.028 1.00 0.00 C ATOM 533 C PHE A 39 0.948 -1.405 5.336 1.00 0.00 C ATOM 534 O PHE A 39 1.603 -0.294 5.549 1.00 0.00 O ATOM 535 CB PHE A 39 1.770 -3.669 6.423 1.00 0.00 C ATOM 536 CG PHE A 39 2.426 -5.118 6.483 1.00 0.00 C ATOM 537 CD1 PHE A 39 1.876 -6.244 5.832 1.00 0.00 C ATOM 538 CD2 PHE A 39 3.548 -5.329 7.277 1.00 0.00 C ATOM 539 CE1 PHE A 39 2.445 -7.505 5.975 1.00 0.00 C ATOM 540 CE2 PHE A 39 4.120 -6.585 7.417 1.00 0.00 C ATOM 541 CZ PHE A 39 3.567 -7.672 6.768 1.00 0.00 C ATOM 0 H PHE A 39 3.658 -1.813 5.052 1.00 0.00 H new ATOM 0 HA PHE A 39 1.228 -3.335 4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.277 -3.064 7.175 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.735 -3.780 6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.999 -6.124 5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.986 -4.491 7.799 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.011 -8.354 5.467 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.998 -6.713 8.033 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.010 -8.651 6.879 1.00 0.00 H new ATOM 551 N ILE A 40 -0.510 -1.501 5.358 1.00 0.00 N ATOM 552 CA ILE A 40 -1.482 -0.394 5.795 1.00 0.00 C ATOM 553 C ILE A 40 -1.724 -0.499 7.375 1.00 0.00 C ATOM 554 O ILE A 40 -1.864 -1.624 7.959 1.00 0.00 O ATOM 555 CB ILE A 40 -2.979 -0.380 4.988 1.00 0.00 C ATOM 556 CG1 ILE A 40 -3.054 -1.033 3.474 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.709 1.044 5.024 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.174 -0.441 2.339 1.00 0.00 C ATOM 0 H ILE A 40 -0.995 -2.351 5.070 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.001 0.545 5.520 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.533 -1.090 5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.805 -2.090 3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.092 -0.976 3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.657 0.980 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.893 1.332 6.059 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.074 1.791 4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.352 -0.992 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.429 0.608 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.122 -0.523 2.614 1.00 0.00 H new ATOM 570 N THR A 41 -1.798 0.737 7.980 1.00 0.00 N ATOM 571 CA THR A 41 -1.931 1.048 9.493 1.00 0.00 C ATOM 572 C THR A 41 -2.742 2.376 9.804 1.00 0.00 C ATOM 573 O THR A 41 -3.299 2.491 10.950 1.00 0.00 O ATOM 574 CB THR A 41 -0.558 0.926 10.403 1.00 0.00 C ATOM 575 OG1 THR A 41 0.591 1.348 9.696 1.00 0.00 O ATOM 576 CG2 THR A 41 -0.309 -0.489 10.941 1.00 0.00 C ATOM 0 H THR A 41 -1.767 1.592 7.425 1.00 0.00 H new ATOM 0 HA THR A 41 -2.537 0.209 9.835 1.00 0.00 H new ATOM 0 HB THR A 41 -0.732 1.590 11.249 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.379 1.261 10.271 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.608 -0.498 11.530 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.146 -0.792 11.569 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.212 -1.184 10.107 1.00 0.00 H new ATOM 584 N LYS A 42 -2.859 3.396 8.736 1.00 0.00 N ATOM 585 CA LYS A 42 -3.674 4.664 8.881 1.00 0.00 C ATOM 586 C LYS A 42 -4.669 4.844 7.640 1.00 0.00 C ATOM 587 O LYS A 42 -4.245 4.750 6.439 1.00 0.00 O ATOM 588 CB LYS A 42 -2.688 5.952 9.131 1.00 0.00 C ATOM 589 CG LYS A 42 -3.209 7.201 9.943 1.00 0.00 C ATOM 590 CD LYS A 42 -4.019 8.252 9.098 1.00 0.00 C ATOM 591 CE LYS A 42 -4.396 9.516 9.885 1.00 0.00 C ATOM 592 NZ LYS A 42 -5.537 9.344 10.880 1.00 0.00 N ATOM 0 H LYS A 42 -2.396 3.309 7.831 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.309 4.590 9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.797 5.584 9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.371 6.312 8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.841 6.848 10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.354 7.703 10.397 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.428 8.539 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.929 7.782 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.515 9.866 10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.668 10.298 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.718 10.248 11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.395 9.043 10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.278 8.623 11.584 1.00 0.00 H new ATOM 606 N ILE A 43 -6.019 5.055 8.008 1.00 0.00 N ATOM 607 CA ILE A 43 -7.178 5.385 7.080 1.00 0.00 C ATOM 608 C ILE A 43 -7.869 6.757 7.565 1.00 0.00 C ATOM 609 O ILE A 43 -8.170 6.932 8.789 1.00 0.00 O ATOM 610 CB ILE A 43 -8.288 4.045 6.880 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.637 2.678 6.200 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.750 4.345 6.250 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.952 2.745 4.757 1.00 0.00 C ATOM 0 H ILE A 43 -6.317 4.995 8.982 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.798 5.550 6.072 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.478 3.850 7.935 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.889 2.296 6.895 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.432 1.934 6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.318 3.417 6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.281 5.055 6.884 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.636 4.765 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.586 1.756 4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.684 3.079 4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.118 3.446 4.782 1.00 0.00 H new ATOM 625 N ILE A 44 -8.105 7.695 6.530 1.00 0.00 N ATOM 626 CA ILE A 44 -8.896 9.007 6.649 1.00 0.00 C ATOM 627 C ILE A 44 -10.533 8.712 6.417 1.00 0.00 C ATOM 628 O ILE A 44 -10.869 8.064 5.386 1.00 0.00 O ATOM 629 CB ILE A 44 -8.222 10.263 5.656 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.775 10.777 6.104 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.095 11.555 5.431 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.575 9.887 5.818 1.00 0.00 C ATOM 0 H ILE A 44 -7.744 7.549 5.587 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.803 9.401 7.661 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.172 9.710 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.599 11.738 5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.805 10.961 7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.553 12.254 4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.035 11.280 4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.302 12.026 6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.668 10.372 6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.702 8.930 6.325 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.493 9.720 4.744 1.00 0.00 H new ATOM 644 N PRO A 45 -11.577 9.225 7.419 1.00 0.00 N ATOM 645 CA PRO A 45 -13.119 8.985 7.284 1.00 0.00 C ATOM 646 C PRO A 45 -13.893 9.669 6.010 1.00 0.00 C ATOM 647 O PRO A 45 -15.010 9.176 5.628 1.00 0.00 O ATOM 648 CB PRO A 45 -13.688 9.496 8.668 1.00 0.00 C ATOM 649 CG PRO A 45 -12.501 9.589 9.597 1.00 0.00 C ATOM 650 CD PRO A 45 -11.334 10.003 8.737 1.00 0.00 C ATOM 0 HA PRO A 45 -13.299 7.932 7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.173 10.466 8.556 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.437 8.808 9.060 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.681 10.317 10.388 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.309 8.632 10.082 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.317 11.080 8.572 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.381 9.735 9.194 1.00 0.00 H new ATOM 658 N GLY A 46 -13.229 10.762 5.374 1.00 0.00 N ATOM 659 CA GLY A 46 -13.761 11.515 4.184 1.00 0.00 C ATOM 660 C GLY A 46 -12.775 11.714 2.989 1.00 0.00 C ATOM 661 O GLY A 46 -12.803 12.819 2.380 1.00 0.00 O ATOM 0 H GLY A 46 -12.326 11.112 5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.643 10.992 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.091 12.497 4.521 1.00 0.00 H new ATOM 665 N GLY A 47 -11.882 10.626 2.665 1.00 0.00 N ATOM 666 CA GLY A 47 -10.960 10.584 1.449 1.00 0.00 C ATOM 667 C GLY A 47 -11.542 9.877 0.161 1.00 0.00 C ATOM 668 O GLY A 47 -12.719 9.413 0.149 1.00 0.00 O ATOM 0 H GLY A 47 -11.809 9.791 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.691 11.607 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.039 10.075 1.734 1.00 0.00 H new ATOM 672 N ALA A 48 -10.642 9.819 -0.930 1.00 0.00 N ATOM 673 CA ALA A 48 -10.882 9.256 -2.342 1.00 0.00 C ATOM 674 C ALA A 48 -10.756 7.653 -2.487 1.00 0.00 C ATOM 675 O ALA A 48 -11.544 7.053 -3.242 1.00 0.00 O ATOM 676 CB ALA A 48 -9.978 10.025 -3.372 1.00 0.00 C ATOM 0 H ALA A 48 -9.693 10.181 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.934 9.435 -2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.147 9.627 -4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.229 11.085 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.930 9.897 -3.103 1.00 0.00 H new ATOM 682 N ALA A 49 -9.730 6.991 -1.715 1.00 0.00 N ATOM 683 CA ALA A 49 -9.431 5.473 -1.644 1.00 0.00 C ATOM 684 C ALA A 49 -10.378 4.626 -0.645 1.00 0.00 C ATOM 685 O ALA A 49 -10.614 3.394 -0.890 1.00 0.00 O ATOM 686 CB ALA A 49 -7.938 5.254 -1.335 1.00 0.00 C ATOM 0 H ALA A 49 -9.092 7.526 -1.125 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.673 5.073 -2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.730 4.185 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.334 5.705 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.693 5.716 -0.379 1.00 0.00 H new ATOM 692 N ALA A 50 -10.952 5.354 0.472 1.00 0.00 N ATOM 693 CA ALA A 50 -11.917 4.816 1.538 1.00 0.00 C ATOM 694 C ALA A 50 -13.455 4.776 1.047 1.00 0.00 C ATOM 695 O ALA A 50 -14.158 3.759 1.307 1.00 0.00 O ATOM 696 CB ALA A 50 -11.749 5.632 2.873 1.00 0.00 C ATOM 0 H ALA A 50 -10.732 6.338 0.626 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.650 3.776 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.437 5.245 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.725 5.534 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.969 6.683 2.687 1.00 0.00 H new ATOM 702 N GLN A 51 -13.930 5.926 0.303 1.00 0.00 N ATOM 703 CA GLN A 51 -15.325 6.132 -0.305 1.00 0.00 C ATOM 704 C GLN A 51 -15.486 5.629 -1.828 1.00 0.00 C ATOM 705 O GLN A 51 -16.357 4.751 -2.076 1.00 0.00 O ATOM 706 CB GLN A 51 -15.847 7.647 -0.141 1.00 0.00 C ATOM 707 CG GLN A 51 -15.997 8.194 1.332 1.00 0.00 C ATOM 708 CD GLN A 51 -16.776 9.553 1.531 1.00 0.00 C ATOM 709 OE1 GLN A 51 -16.779 10.487 0.682 1.00 0.00 O ATOM 710 NE2 GLN A 51 -17.445 9.659 2.674 1.00 0.00 N ATOM 0 H GLN A 51 -13.321 6.725 0.127 1.00 0.00 H new ATOM 0 HA GLN A 51 -15.966 5.478 0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.161 8.302 -0.678 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.816 7.727 -0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.499 7.429 1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.997 8.316 1.749 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.430 8.893 3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -17.974 10.507 2.879 1.00 0.00 H new ATOM 719 N ASP A 52 -14.599 6.199 -2.838 1.00 0.00 N ATOM 720 CA ASP A 52 -14.686 5.976 -4.358 1.00 0.00 C ATOM 721 C ASP A 52 -13.852 4.748 -4.984 1.00 0.00 C ATOM 722 O ASP A 52 -14.366 4.098 -5.949 1.00 0.00 O ATOM 723 CB ASP A 52 -14.394 7.337 -5.133 1.00 0.00 C ATOM 724 CG ASP A 52 -15.556 8.368 -5.160 1.00 0.00 C ATOM 725 OD1 ASP A 52 -16.382 8.318 -6.105 1.00 0.00 O ATOM 726 OD2 ASP A 52 -15.617 9.227 -4.245 1.00 0.00 O ATOM 0 H ASP A 52 -13.826 6.813 -2.583 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.716 5.654 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.524 7.811 -4.678 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.125 7.096 -6.161 1.00 0.00 H new ATOM 731 N GLY A 53 -12.587 4.414 -4.382 1.00 0.00 N ATOM 732 CA GLY A 53 -11.587 3.360 -4.915 1.00 0.00 C ATOM 733 C GLY A 53 -11.827 1.865 -4.512 1.00 0.00 C ATOM 734 O GLY A 53 -11.712 0.974 -5.380 1.00 0.00 O ATOM 0 H GLY A 53 -12.257 4.870 -3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.585 3.419 -6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.589 3.643 -4.579 1.00 0.00 H new ATOM 738 N ARG A 54 -12.173 1.620 -3.141 1.00 0.00 N ATOM 739 CA ARG A 54 -12.488 0.280 -2.387 1.00 0.00 C ATOM 740 C ARG A 54 -11.241 -0.491 -1.758 1.00 0.00 C ATOM 741 O ARG A 54 -10.922 -1.697 -2.090 1.00 0.00 O ATOM 742 CB ARG A 54 -13.663 -0.683 -3.015 1.00 0.00 C ATOM 743 CG ARG A 54 -15.187 -0.167 -3.015 1.00 0.00 C ATOM 744 CD ARG A 54 -15.951 -0.135 -1.614 1.00 0.00 C ATOM 745 NE ARG A 54 -16.265 -1.520 -1.018 1.00 0.00 N ATOM 746 CZ ARG A 54 -16.905 -1.852 0.204 1.00 0.00 C ATOM 747 NH1 ARG A 54 -17.383 -0.930 1.103 1.00 0.00 N ATOM 748 NH2 ARG A 54 -17.056 -3.137 0.499 1.00 0.00 N ATOM 0 H ARG A 54 -12.242 2.408 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.990 0.684 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.391 -0.901 -4.048 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.637 -1.628 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.201 0.841 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.757 -0.800 -3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.347 0.424 -0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.886 0.412 -1.738 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.970 -2.315 -1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.288 0.067 0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.833 -1.242 1.963 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.716 -3.851 -0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.512 -3.410 1.370 1.00 0.00 H new ATOM 762 N LEU A 55 -10.442 0.337 -0.930 1.00 0.00 N ATOM 763 CA LEU A 55 -9.314 -0.073 -0.051 1.00 0.00 C ATOM 764 C LEU A 55 -9.688 0.084 1.499 1.00 0.00 C ATOM 765 O LEU A 55 -10.225 1.149 1.960 1.00 0.00 O ATOM 766 CB LEU A 55 -7.992 0.762 -0.500 1.00 0.00 C ATOM 767 CG LEU A 55 -6.614 0.665 0.266 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.633 -0.318 -0.367 1.00 0.00 C ATOM 769 CD2 LEU A 55 -6.064 2.037 0.326 1.00 0.00 C ATOM 0 H LEU A 55 -10.606 1.343 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.100 -1.135 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.790 0.489 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.275 1.815 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.779 0.264 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.709 -0.333 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.072 -1.316 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.416 -0.008 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.107 2.023 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.919 2.416 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.759 2.685 0.860 1.00 0.00 H new ATOM 781 N ARG A 56 -9.402 -1.056 2.231 1.00 0.00 N ATOM 782 CA ARG A 56 -9.416 -1.225 3.746 1.00 0.00 C ATOM 783 C ARG A 56 -7.927 -1.440 4.295 1.00 0.00 C ATOM 784 O ARG A 56 -7.017 -1.914 3.543 1.00 0.00 O ATOM 785 CB ARG A 56 -10.414 -2.408 4.226 1.00 0.00 C ATOM 786 CG ARG A 56 -11.909 -2.129 4.149 1.00 0.00 C ATOM 787 CD ARG A 56 -12.617 -3.333 4.680 1.00 0.00 C ATOM 788 NE ARG A 56 -14.126 -3.154 4.766 1.00 0.00 N ATOM 789 CZ ARG A 56 -15.126 -4.055 5.229 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.870 -5.317 5.701 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.389 -3.650 5.202 1.00 0.00 N ATOM 0 H ARG A 56 -9.143 -1.924 1.762 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.810 -0.306 4.179 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.204 -3.293 3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.169 -2.659 5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.165 -1.245 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.210 -1.930 3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.395 -4.188 4.041 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.229 -3.567 5.671 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.474 -2.251 4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.911 -5.664 5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.638 -5.909 6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.618 -2.718 4.857 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.131 -4.271 5.526 1.00 0.00 H new ATOM 805 N VAL A 57 -7.701 -1.104 5.648 1.00 0.00 N ATOM 806 CA VAL A 57 -6.390 -1.232 6.488 1.00 0.00 C ATOM 807 C VAL A 57 -5.725 -2.746 6.550 1.00 0.00 C ATOM 808 O VAL A 57 -4.487 -2.906 6.742 1.00 0.00 O ATOM 809 CB VAL A 57 -6.661 -0.542 7.937 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.519 -1.218 9.023 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.597 0.355 8.440 1.00 0.00 C ATOM 0 H VAL A 57 -8.458 -0.719 6.213 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.594 -0.693 5.974 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.466 0.087 7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.562 -0.577 9.904 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.527 -1.379 8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.075 -2.176 9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.888 0.756 9.411 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.667 -0.205 8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.451 1.176 7.738 1.00 0.00 H new ATOM 821 N ASN A 58 -6.669 -3.763 6.381 1.00 0.00 N ATOM 822 CA ASN A 58 -6.466 -5.222 6.339 1.00 0.00 C ATOM 823 C ASN A 58 -6.226 -5.781 4.780 1.00 0.00 C ATOM 824 O ASN A 58 -6.143 -7.038 4.579 1.00 0.00 O ATOM 825 CB ASN A 58 -7.725 -5.853 7.135 1.00 0.00 C ATOM 826 CG ASN A 58 -7.563 -7.310 7.689 1.00 0.00 C ATOM 827 OD1 ASN A 58 -7.087 -7.511 8.812 1.00 0.00 O ATOM 828 ND2 ASN A 58 -7.997 -8.307 6.908 1.00 0.00 N ATOM 0 H ASN A 58 -7.655 -3.531 6.265 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.545 -5.539 6.829 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.958 -5.197 7.973 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.588 -5.839 6.469 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.941 -9.272 7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.384 -8.102 5.987 1.00 0.00 H new ATOM 835 N ASP A 59 -6.038 -4.781 3.694 1.00 0.00 N ATOM 836 CA ASP A 59 -5.790 -5.158 2.198 1.00 0.00 C ATOM 837 C ASP A 59 -4.271 -5.399 1.797 1.00 0.00 C ATOM 838 O ASP A 59 -3.982 -6.301 0.950 1.00 0.00 O ATOM 839 CB ASP A 59 -6.514 -4.178 1.180 1.00 0.00 C ATOM 840 CG ASP A 59 -7.991 -4.515 0.871 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.879 -4.149 1.671 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.245 -5.122 -0.193 1.00 0.00 O ATOM 0 H ASP A 59 -6.059 -3.775 3.859 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.262 -6.137 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.466 -3.165 1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.956 -4.177 0.244 1.00 0.00 H new ATOM 847 N SER A 60 -3.269 -4.549 2.442 1.00 0.00 N ATOM 848 CA SER A 60 -1.687 -4.572 2.317 1.00 0.00 C ATOM 849 C SER A 60 -1.075 -4.713 0.849 1.00 0.00 C ATOM 850 O SER A 60 -1.307 -5.752 0.153 1.00 0.00 O ATOM 851 CB SER A 60 -1.006 -5.560 3.356 1.00 0.00 C ATOM 852 OG SER A 60 -1.266 -5.169 4.701 1.00 0.00 O ATOM 0 H SER A 60 -3.567 -3.811 3.080 1.00 0.00 H new ATOM 0 HA SER A 60 -1.417 -3.552 2.590 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.376 -6.572 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.070 -5.583 3.185 1.00 0.00 H new ATOM 0 HG SER A 60 -0.974 -5.879 5.310 1.00 0.00 H new ATOM 858 N ILE A 61 -0.257 -3.644 0.412 1.00 0.00 N ATOM 859 CA ILE A 61 0.366 -3.512 -1.015 1.00 0.00 C ATOM 860 C ILE A 61 1.746 -4.355 -1.113 1.00 0.00 C ATOM 861 O ILE A 61 2.662 -4.195 -0.257 1.00 0.00 O ATOM 862 CB ILE A 61 0.565 -1.890 -1.559 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.776 -0.985 -1.316 1.00 0.00 C ATOM 864 CG2 ILE A 61 0.949 -1.836 -3.145 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.607 0.578 -1.192 1.00 0.00 C ATOM 0 H ILE A 61 -0.013 -2.864 1.022 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.362 -3.943 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 61 1.381 -1.475 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.464 -1.181 -2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.258 -1.341 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.067 -0.798 -3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.883 -2.373 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.154 -2.301 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.582 1.038 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.044 0.808 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.166 0.970 -2.108 1.00 0.00 H new ATOM 877 N LEU A 62 1.805 -5.249 -2.220 1.00 0.00 N ATOM 878 CA LEU A 62 3.050 -5.984 -2.689 1.00 0.00 C ATOM 879 C LEU A 62 3.794 -5.209 -3.837 1.00 0.00 C ATOM 880 O LEU A 62 5.047 -5.049 -3.763 1.00 0.00 O ATOM 881 CB LEU A 62 2.806 -7.583 -3.021 1.00 0.00 C ATOM 882 CG LEU A 62 1.770 -8.091 -4.122 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.162 -9.461 -4.557 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.358 -8.180 -3.594 1.00 0.00 C ATOM 0 H LEU A 62 0.986 -5.461 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 62 3.727 -5.995 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.777 -7.994 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.516 -8.054 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 62 1.794 -7.370 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.460 -9.818 -5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.166 -9.435 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.147 -10.133 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.305 -8.531 -4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.326 -8.878 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.033 -7.196 -3.258 1.00 0.00 H new ATOM 896 N PHE A 63 2.952 -4.704 -4.903 1.00 0.00 N ATOM 897 CA PHE A 63 3.477 -3.988 -6.161 1.00 0.00 C ATOM 898 C PHE A 63 2.737 -2.660 -6.470 1.00 0.00 C ATOM 899 O PHE A 63 1.491 -2.610 -6.421 1.00 0.00 O ATOM 900 CB PHE A 63 3.484 -4.991 -7.460 1.00 0.00 C ATOM 901 CG PHE A 63 4.559 -6.152 -7.450 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.378 -7.327 -6.705 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.719 -6.027 -8.171 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.313 -8.326 -6.688 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.665 -7.010 -8.179 1.00 0.00 C ATOM 906 CZ PHE A 63 6.473 -8.179 -7.440 1.00 0.00 C ATOM 0 H PHE A 63 1.936 -4.792 -4.888 1.00 0.00 H new ATOM 0 HA PHE A 63 4.508 -3.709 -5.941 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.496 -5.442 -7.548 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.640 -4.389 -8.355 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.473 -7.447 -6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.888 -5.129 -8.746 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.152 -9.216 -6.098 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.567 -6.883 -8.760 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.218 -8.961 -7.452 1.00 0.00 H new ATOM 916 N VAL A 64 3.548 -1.550 -6.767 1.00 0.00 N ATOM 917 CA VAL A 64 3.009 -0.153 -7.184 1.00 0.00 C ATOM 918 C VAL A 64 3.469 0.267 -8.574 1.00 0.00 C ATOM 919 O VAL A 64 4.591 0.050 -8.912 1.00 0.00 O ATOM 920 CB VAL A 64 3.008 1.103 -6.121 1.00 0.00 C ATOM 921 CG1 VAL A 64 1.677 1.269 -5.418 1.00 0.00 C ATOM 922 CG2 VAL A 64 4.148 1.180 -5.088 1.00 0.00 C ATOM 0 H VAL A 64 4.566 -1.590 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 64 1.944 -0.384 -7.187 1.00 0.00 H new ATOM 0 HB VAL A 64 3.199 1.937 -6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.732 2.111 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.896 1.454 -6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.443 0.361 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.011 2.060 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.137 0.285 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.104 1.250 -5.606 1.00 0.00 H new ATOM 932 N ASN A 65 2.485 0.878 -9.428 1.00 0.00 N ATOM 933 CA ASN A 65 2.645 1.362 -10.924 1.00 0.00 C ATOM 934 C ASN A 65 2.684 0.123 -11.976 1.00 0.00 C ATOM 935 O ASN A 65 1.769 -0.058 -12.791 1.00 0.00 O ATOM 936 CB ASN A 65 3.894 2.472 -11.152 1.00 0.00 C ATOM 937 CG ASN A 65 3.569 3.973 -10.972 1.00 0.00 C ATOM 938 OD1 ASN A 65 4.284 4.796 -11.728 1.00 0.00 O flip ATOM 939 ND2 ASN A 65 2.704 4.392 -10.174 1.00 0.00 N flip ATOM 0 H ASN A 65 1.540 1.050 -9.085 1.00 0.00 H new ATOM 0 HA ASN A 65 1.738 1.923 -11.149 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.697 2.218 -10.460 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.285 2.333 -12.160 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.171 3.733 -9.607 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.530 5.394 -10.090 1.00 0.00 H new ATOM 946 N GLU A 66 3.840 -0.670 -11.880 1.00 0.00 N ATOM 947 CA GLU A 66 4.301 -1.990 -12.545 1.00 0.00 C ATOM 948 C GLU A 66 5.664 -2.518 -11.794 1.00 0.00 C ATOM 949 O GLU A 66 6.249 -3.587 -12.173 1.00 0.00 O ATOM 950 CB GLU A 66 4.430 -1.946 -14.225 1.00 0.00 C ATOM 951 CG GLU A 66 5.330 -0.821 -14.922 1.00 0.00 C ATOM 952 CD GLU A 66 5.362 -0.895 -16.466 1.00 0.00 C ATOM 953 OE1 GLU A 66 4.503 -0.245 -17.120 1.00 0.00 O ATOM 954 OE2 GLU A 66 6.264 -1.581 -17.019 1.00 0.00 O ATOM 0 H GLU A 66 4.574 -0.355 -11.246 1.00 0.00 H new ATOM 0 HA GLU A 66 3.504 -2.720 -12.401 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.812 -2.915 -14.548 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.421 -1.851 -14.627 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.959 0.160 -14.625 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.349 -0.903 -14.545 1.00 0.00 H new ATOM 961 N VAL A 67 6.062 -1.756 -10.624 1.00 0.00 N ATOM 962 CA VAL A 67 7.358 -1.839 -9.866 1.00 0.00 C ATOM 963 C VAL A 67 7.322 -2.689 -8.540 1.00 0.00 C ATOM 964 O VAL A 67 6.263 -2.707 -7.784 1.00 0.00 O ATOM 965 CB VAL A 67 8.189 -0.387 -9.670 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.629 0.226 -10.957 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.582 0.698 -8.698 1.00 0.00 C ATOM 0 H VAL A 67 5.435 -1.064 -10.215 1.00 0.00 H new ATOM 0 HA VAL A 67 7.960 -2.420 -10.564 1.00 0.00 H new ATOM 0 HB VAL A 67 9.064 -0.742 -9.125 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.157 1.158 -10.754 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.294 -0.462 -11.479 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.758 0.431 -11.579 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.231 1.574 -8.679 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.592 0.988 -9.049 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.503 0.283 -7.693 1.00 0.00 H new ATOM 977 N ASP A 68 8.606 -3.197 -8.215 1.00 0.00 N ATOM 978 CA ASP A 68 8.984 -4.077 -7.100 1.00 0.00 C ATOM 979 C ASP A 68 9.401 -3.275 -5.814 1.00 0.00 C ATOM 980 O ASP A 68 10.576 -2.794 -5.659 1.00 0.00 O ATOM 981 CB ASP A 68 9.948 -5.348 -7.501 1.00 0.00 C ATOM 982 CG ASP A 68 11.321 -5.047 -8.218 1.00 0.00 C ATOM 983 OD1 ASP A 68 11.344 -5.000 -9.469 1.00 0.00 O ATOM 984 OD2 ASP A 68 12.338 -4.876 -7.508 1.00 0.00 O ATOM 0 H ASP A 68 9.416 -2.960 -8.788 1.00 0.00 H new ATOM 0 HA ASP A 68 8.068 -4.595 -6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.164 -5.903 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.373 -6.011 -8.148 1.00 0.00 H new ATOM 989 N VAL A 69 8.327 -3.095 -4.957 1.00 0.00 N ATOM 990 CA VAL A 69 8.332 -2.365 -3.622 1.00 0.00 C ATOM 991 C VAL A 69 8.582 -3.339 -2.363 1.00 0.00 C ATOM 992 O VAL A 69 8.853 -2.863 -1.251 1.00 0.00 O ATOM 993 CB VAL A 69 7.042 -1.357 -3.577 1.00 0.00 C ATOM 994 CG1 VAL A 69 5.784 -1.575 -2.623 1.00 0.00 C ATOM 995 CG2 VAL A 69 7.447 0.075 -3.764 1.00 0.00 C ATOM 0 H VAL A 69 7.404 -3.466 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 69 9.206 -1.721 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 69 6.519 -1.752 -4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.064 -0.772 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.315 -2.532 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.111 -1.571 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.563 0.711 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.135 0.365 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.938 0.191 -4.730 1.00 0.00 H new ATOM 1005 N ARG A 70 8.560 -4.719 -2.663 1.00 0.00 N ATOM 1006 CA ARG A 70 8.781 -5.926 -1.683 1.00 0.00 C ATOM 1007 C ARG A 70 10.230 -5.897 -0.865 1.00 0.00 C ATOM 1008 O ARG A 70 10.356 -6.563 0.202 1.00 0.00 O ATOM 1009 CB ARG A 70 8.528 -7.317 -2.520 1.00 0.00 C ATOM 1010 CG ARG A 70 8.235 -8.702 -1.747 1.00 0.00 C ATOM 1011 CD ARG A 70 6.790 -8.843 -1.162 1.00 0.00 C ATOM 1012 NE ARG A 70 6.595 -10.153 -0.415 1.00 0.00 N ATOM 1013 CZ ARG A 70 5.467 -10.630 0.307 1.00 0.00 C ATOM 1014 NH1 ARG A 70 4.286 -9.940 0.444 1.00 0.00 N ATOM 1015 NH2 ARG A 70 5.557 -11.820 0.887 1.00 0.00 N ATOM 0 H ARG A 70 8.384 -5.041 -3.615 1.00 0.00 H new ATOM 0 HA ARG A 70 8.055 -5.850 -0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.687 -7.140 -3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.406 -7.479 -3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.414 -9.529 -2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.952 -8.804 -0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.590 -8.010 -0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.064 -8.778 -1.973 1.00 0.00 H new ATOM 0 HE ARG A 70 7.395 -10.786 -0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.178 -9.022 0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.517 -10.346 0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.417 -12.363 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.766 -12.192 1.413 1.00 0.00 H new ATOM 1029 N GLU A 71 11.273 -5.036 -1.414 1.00 0.00 N ATOM 1030 CA GLU A 71 12.667 -4.761 -0.870 1.00 0.00 C ATOM 1031 C GLU A 71 13.147 -3.320 -1.346 1.00 0.00 C ATOM 1032 O GLU A 71 13.852 -3.135 -2.420 1.00 0.00 O ATOM 1033 CB GLU A 71 13.761 -5.891 -1.183 1.00 0.00 C ATOM 1034 CG GLU A 71 13.820 -7.128 -0.224 1.00 0.00 C ATOM 1035 CD GLU A 71 14.895 -8.181 -0.595 1.00 0.00 C ATOM 1036 OE1 GLU A 71 14.575 -9.128 -1.365 1.00 0.00 O ATOM 1037 OE2 GLU A 71 16.047 -8.073 -0.091 1.00 0.00 O ATOM 0 H GLU A 71 11.110 -4.519 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 71 12.581 -4.786 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.585 -6.258 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.743 -5.418 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.010 -6.776 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.843 -7.612 -0.216 1.00 0.00 H new ATOM 1044 N VAL A 72 12.615 -2.267 -0.579 1.00 0.00 N ATOM 1045 CA VAL A 72 12.878 -0.747 -0.750 1.00 0.00 C ATOM 1046 C VAL A 72 12.849 -0.002 0.687 1.00 0.00 C ATOM 1047 O VAL A 72 12.298 -0.559 1.658 1.00 0.00 O ATOM 1048 CB VAL A 72 11.839 0.059 -1.882 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.888 -0.445 -3.335 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.345 0.315 -1.439 1.00 0.00 C ATOM 0 H VAL A 72 11.976 -2.453 0.194 1.00 0.00 H new ATOM 0 HA VAL A 72 13.874 -0.678 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 72 12.327 1.034 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.196 0.136 -3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.899 -0.332 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.603 -1.497 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.810 0.825 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.860 -0.638 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.332 0.935 -0.542 1.00 0.00 H new ATOM 1060 N THR A 73 13.383 1.314 0.720 1.00 0.00 N ATOM 1061 CA THR A 73 13.190 2.368 1.868 1.00 0.00 C ATOM 1062 C THR A 73 11.719 3.050 1.806 1.00 0.00 C ATOM 1063 O THR A 73 11.025 2.923 0.756 1.00 0.00 O ATOM 1064 CB THR A 73 14.332 3.525 1.884 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.728 3.982 0.575 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.543 3.165 2.722 1.00 0.00 C ATOM 0 H THR A 73 13.957 1.676 -0.042 1.00 0.00 H new ATOM 0 HA THR A 73 13.289 1.805 2.796 1.00 0.00 H new ATOM 0 HB THR A 73 13.838 4.367 2.370 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.414 4.676 0.665 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.265 3.981 2.688 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.234 2.996 3.754 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.002 2.258 2.328 1.00 0.00 H new ATOM 1074 N HIS A 74 11.248 3.759 2.970 1.00 0.00 N ATOM 1075 CA HIS A 74 9.868 4.554 3.097 1.00 0.00 C ATOM 1076 C HIS A 74 9.595 5.615 1.899 1.00 0.00 C ATOM 1077 O HIS A 74 8.623 5.431 1.068 1.00 0.00 O ATOM 1078 CB HIS A 74 9.631 5.180 4.601 1.00 0.00 C ATOM 1079 CG HIS A 74 10.586 6.331 5.158 1.00 0.00 C ATOM 1080 ND1 HIS A 74 10.196 7.665 5.231 1.00 0.00 N ATOM 1081 CD2 HIS A 74 11.852 6.300 5.672 1.00 0.00 C ATOM 1082 CE1 HIS A 74 11.179 8.396 5.763 1.00 0.00 C ATOM 1083 NE2 HIS A 74 12.188 7.589 6.036 1.00 0.00 N ATOM 0 H HIS A 74 11.796 3.798 3.829 1.00 0.00 H new ATOM 0 HA HIS A 74 9.092 3.800 2.962 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.611 5.564 4.633 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.681 4.351 5.306 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.477 5.425 5.775 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.153 9.461 5.939 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.076 7.873 6.450 1.00 0.00 H new ATOM 1092 N SER A 75 10.669 6.562 1.703 1.00 0.00 N ATOM 1093 CA SER A 75 10.741 7.681 0.627 1.00 0.00 C ATOM 1094 C SER A 75 10.740 7.099 -0.895 1.00 0.00 C ATOM 1095 O SER A 75 10.074 7.679 -1.764 1.00 0.00 O ATOM 1096 CB SER A 75 11.970 8.636 0.936 1.00 0.00 C ATOM 1097 OG SER A 75 11.990 9.829 0.133 1.00 0.00 O ATOM 0 H SER A 75 11.498 6.552 2.298 1.00 0.00 H new ATOM 0 HA SER A 75 9.830 8.276 0.686 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.945 8.917 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.897 8.085 0.776 1.00 0.00 H new ATOM 0 HG SER A 75 12.769 10.372 0.374 1.00 0.00 H new ATOM 1103 N ALA A 76 11.374 5.806 -1.079 1.00 0.00 N ATOM 1104 CA ALA A 76 11.453 4.957 -2.353 1.00 0.00 C ATOM 1105 C ALA A 76 10.045 4.262 -2.771 1.00 0.00 C ATOM 1106 O ALA A 76 9.834 3.953 -3.989 1.00 0.00 O ATOM 1107 CB ALA A 76 12.572 3.911 -2.181 1.00 0.00 C ATOM 0 H ALA A 76 11.846 5.347 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 76 11.685 5.625 -3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.640 3.299 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.522 4.419 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.347 3.274 -1.325 1.00 0.00 H new ATOM 1113 N ALA A 77 9.064 4.079 -1.699 1.00 0.00 N ATOM 1114 CA ALA A 77 7.626 3.580 -1.861 1.00 0.00 C ATOM 1115 C ALA A 77 6.583 4.764 -2.085 1.00 0.00 C ATOM 1116 O ALA A 77 5.605 4.586 -2.854 1.00 0.00 O ATOM 1117 CB ALA A 77 7.222 2.652 -0.692 1.00 0.00 C ATOM 0 H ALA A 77 9.293 4.284 -0.726 1.00 0.00 H new ATOM 0 HA ALA A 77 7.596 2.986 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.196 2.313 -0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.888 1.790 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.297 3.198 0.248 1.00 0.00 H new ATOM 1123 N VAL A 78 6.884 6.023 -1.429 1.00 0.00 N ATOM 1124 CA VAL A 78 6.088 7.389 -1.554 1.00 0.00 C ATOM 1125 C VAL A 78 6.317 8.082 -3.023 1.00 0.00 C ATOM 1126 O VAL A 78 5.343 8.553 -3.619 1.00 0.00 O ATOM 1127 CB VAL A 78 6.402 8.424 -0.238 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.666 9.807 -0.240 1.00 0.00 C ATOM 1129 CG2 VAL A 78 5.997 7.776 1.073 1.00 0.00 C ATOM 0 H VAL A 78 7.684 6.110 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 78 5.022 7.171 -1.497 1.00 0.00 H new ATOM 0 HB VAL A 78 7.473 8.600 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.949 10.371 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.948 10.368 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.588 9.645 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.208 8.458 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.931 7.550 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.561 6.854 1.212 1.00 0.00 H new ATOM 1139 N GLU A 79 7.638 8.038 -3.555 1.00 0.00 N ATOM 1140 CA GLU A 79 8.150 8.554 -4.975 1.00 0.00 C ATOM 1141 C GLU A 79 7.553 7.763 -6.243 1.00 0.00 C ATOM 1142 O GLU A 79 7.621 8.244 -7.396 1.00 0.00 O ATOM 1143 CB GLU A 79 9.713 8.586 -5.050 1.00 0.00 C ATOM 1144 CG GLU A 79 10.387 9.737 -4.248 1.00 0.00 C ATOM 1145 CD GLU A 79 11.930 9.815 -4.368 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.430 10.527 -5.282 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.634 9.191 -3.529 1.00 0.00 O ATOM 0 H GLU A 79 8.402 7.638 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 79 7.758 9.569 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.099 7.634 -4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.010 8.670 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.965 10.685 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.126 9.625 -3.196 1.00 0.00 H new ATOM 1154 N ALA A 80 6.958 6.512 -5.953 1.00 0.00 N ATOM 1155 CA ALA A 80 6.081 5.685 -6.876 1.00 0.00 C ATOM 1156 C ALA A 80 4.562 6.254 -6.955 1.00 0.00 C ATOM 1157 O ALA A 80 3.906 6.125 -8.027 1.00 0.00 O ATOM 1158 CB ALA A 80 6.135 4.201 -6.443 1.00 0.00 C ATOM 0 H ALA A 80 7.090 6.060 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 80 6.471 5.763 -7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.506 3.606 -7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.163 3.842 -6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.775 4.108 -5.419 1.00 0.00 H new ATOM 1164 N LEU A 81 4.061 6.944 -5.765 1.00 0.00 N ATOM 1165 CA LEU A 81 2.673 7.595 -5.595 1.00 0.00 C ATOM 1166 C LEU A 81 2.565 9.146 -5.944 1.00 0.00 C ATOM 1167 O LEU A 81 1.510 9.594 -6.486 1.00 0.00 O ATOM 1168 CB LEU A 81 2.008 7.198 -4.186 1.00 0.00 C ATOM 1169 CG LEU A 81 1.814 5.660 -3.904 1.00 0.00 C ATOM 1170 CD1 LEU A 81 2.301 5.279 -2.543 1.00 0.00 C ATOM 1171 CD2 LEU A 81 0.397 5.145 -4.180 1.00 0.00 C ATOM 0 H LEU A 81 4.634 7.041 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 81 2.067 7.154 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.624 7.615 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.033 7.681 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 81 2.443 5.150 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.149 4.211 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.363 5.511 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.747 5.837 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.348 4.078 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.313 5.678 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.147 5.312 -5.228 1.00 0.00 H new ATOM 1183 N LYS A 82 3.694 9.939 -5.628 1.00 0.00 N ATOM 1184 CA LYS A 82 3.879 11.449 -5.884 1.00 0.00 C ATOM 1185 C LYS A 82 4.423 11.812 -7.342 1.00 0.00 C ATOM 1186 O LYS A 82 3.971 12.842 -7.928 1.00 0.00 O ATOM 1187 CB LYS A 82 4.774 12.134 -4.756 1.00 0.00 C ATOM 1188 CG LYS A 82 4.050 12.443 -3.372 1.00 0.00 C ATOM 1189 CD LYS A 82 4.947 13.218 -2.294 1.00 0.00 C ATOM 1190 CE LYS A 82 4.920 14.820 -2.326 1.00 0.00 C ATOM 1191 NZ LYS A 82 5.636 15.438 -3.507 1.00 0.00 N ATOM 0 H LYS A 82 4.514 9.530 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 82 2.872 11.864 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.629 11.487 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.167 13.070 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.157 13.035 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.718 11.501 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.633 12.896 -1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.980 12.896 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.882 15.153 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.370 15.196 -1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.570 16.474 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.636 15.154 -3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.195 15.111 -4.390 1.00 0.00 H new ATOM 1205 N GLU A 83 5.370 10.904 -7.927 1.00 0.00 N ATOM 1206 CA GLU A 83 6.085 11.125 -9.324 1.00 0.00 C ATOM 1207 C GLU A 83 5.402 10.593 -10.645 1.00 0.00 C ATOM 1208 O GLU A 83 5.787 11.069 -11.790 1.00 0.00 O ATOM 1209 CB GLU A 83 7.578 10.774 -9.291 1.00 0.00 C ATOM 1210 CG GLU A 83 8.399 11.826 -8.561 1.00 0.00 C ATOM 1211 CD GLU A 83 9.940 11.654 -8.621 1.00 0.00 C ATOM 1212 OE1 GLU A 83 10.575 12.213 -9.558 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.511 10.987 -7.717 1.00 0.00 O ATOM 0 H GLU A 83 5.650 10.037 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 83 5.948 12.202 -9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.712 9.808 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.948 10.670 -10.311 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.147 12.804 -8.972 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.095 11.832 -7.514 1.00 0.00 H new ATOM 1220 N ALA A 84 4.318 9.664 -10.515 1.00 0.00 N ATOM 1221 CA ALA A 84 3.462 9.120 -11.742 1.00 0.00 C ATOM 1222 C ALA A 84 2.641 10.273 -12.554 1.00 0.00 C ATOM 1223 O ALA A 84 2.350 10.121 -13.788 1.00 0.00 O ATOM 1224 CB ALA A 84 2.574 7.952 -11.322 1.00 0.00 C ATOM 0 H ALA A 84 4.020 9.286 -9.616 1.00 0.00 H new ATOM 0 HA ALA A 84 4.185 8.746 -12.467 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.002 7.602 -12.181 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.195 7.140 -10.945 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.890 8.278 -10.539 1.00 0.00 H new ATOM 1230 N GLY A 85 2.335 11.422 -11.774 1.00 0.00 N ATOM 1231 CA GLY A 85 1.867 12.752 -12.277 1.00 0.00 C ATOM 1232 C GLY A 85 0.407 13.149 -12.105 1.00 0.00 C ATOM 1233 O GLY A 85 0.128 14.349 -11.865 1.00 0.00 O ATOM 0 H GLY A 85 2.421 11.409 -10.758 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.473 13.516 -11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.094 12.796 -13.342 1.00 0.00 H new ATOM 1237 N SER A 86 -0.539 12.103 -12.204 1.00 0.00 N ATOM 1238 CA SER A 86 -2.089 12.198 -12.254 1.00 0.00 C ATOM 1239 C SER A 86 -2.787 10.792 -12.069 1.00 0.00 C ATOM 1240 O SER A 86 -3.882 10.736 -11.474 1.00 0.00 O ATOM 1241 CB SER A 86 -2.596 12.834 -13.634 1.00 0.00 C ATOM 1242 OG SER A 86 -2.441 14.249 -13.677 1.00 0.00 O ATOM 0 H SER A 86 -0.230 11.132 -12.253 1.00 0.00 H new ATOM 0 HA SER A 86 -2.369 12.845 -11.422 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.043 12.387 -14.460 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.647 12.583 -13.781 1.00 0.00 H new ATOM 0 HG SER A 86 -1.668 14.510 -13.135 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.109 9.640 -12.607 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.674 8.212 -12.671 1.00 0.00 C ATOM 1250 C ILE A 87 -1.670 7.226 -11.958 1.00 0.00 C ATOM 1251 O ILE A 87 -0.535 6.956 -12.467 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.139 7.725 -14.270 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.050 8.837 -15.108 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -3.759 6.247 -14.411 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.452 9.351 -14.553 1.00 0.00 C ATOM 0 H ILE A 87 -1.169 9.704 -12.997 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.616 8.182 -12.123 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.164 7.680 -14.755 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.423 9.717 -15.250 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.236 8.415 -16.096 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.011 6.056 -15.454 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.028 5.512 -14.074 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.659 6.170 -13.800 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.878 10.071 -15.252 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.132 8.506 -14.443 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.307 9.829 -13.584 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.174 6.722 -10.764 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.469 5.740 -9.831 1.00 0.00 C ATOM 1269 C VAL A 88 -2.274 4.374 -9.635 1.00 0.00 C ATOM 1270 O VAL A 88 -3.431 4.380 -9.123 1.00 0.00 O ATOM 1271 CB VAL A 88 -0.971 6.467 -8.456 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.436 6.954 -8.458 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -1.843 6.846 -7.217 1.00 0.00 C ATOM 0 H VAL A 88 -3.095 6.990 -10.417 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.551 5.416 -10.322 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.538 5.603 -8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.661 7.419 -7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.111 6.114 -8.622 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.567 7.686 -9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.216 7.319 -6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.628 7.538 -7.522 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.295 5.946 -6.801 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.598 3.232 -10.072 1.00 0.00 N ATOM 1284 CA ARG A 89 -2.151 1.781 -10.050 1.00 0.00 C ATOM 1285 C ARG A 89 -1.433 0.797 -9.026 1.00 0.00 C ATOM 1286 O ARG A 89 -0.302 0.318 -9.270 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.485 1.129 -11.532 1.00 0.00 C ATOM 1288 CG ARG A 89 -1.396 1.077 -12.622 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.961 0.351 -13.801 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.940 0.120 -14.909 1.00 0.00 N ATOM 1291 CZ ARG A 89 -1.060 -0.633 -16.113 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -2.189 -1.318 -16.488 1.00 0.00 N ATOM 1293 NH2 ARG A 89 -0.011 -0.681 -16.925 1.00 0.00 N ATOM 0 H ARG A 89 -0.653 3.281 -10.452 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.141 1.909 -9.613 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.824 0.107 -11.366 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.329 1.682 -11.945 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.091 2.084 -12.905 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.507 0.567 -12.250 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.355 -0.611 -13.473 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.800 0.920 -14.202 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.036 0.572 -14.768 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.014 -1.308 -15.889 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.203 -1.837 -17.366 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.847 -0.188 -16.679 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.063 -1.211 -17.795 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.186 0.518 -7.879 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.801 -0.352 -6.685 1.00 0.00 C ATOM 1309 C LEU A 90 -2.303 -1.860 -6.795 1.00 0.00 C ATOM 1310 O LEU A 90 -3.464 -2.124 -7.237 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.239 0.377 -5.232 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.742 0.788 -4.776 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.559 1.724 -5.630 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -4.505 -0.356 -4.204 1.00 0.00 C ATOM 0 H LEU A 90 -3.119 0.914 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.714 -0.426 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.866 -0.284 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.655 1.296 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.518 1.486 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.533 1.882 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.041 2.679 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.694 1.289 -6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.502 -0.021 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.588 -1.147 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.984 -0.738 -3.326 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.360 -2.822 -6.373 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.562 -4.319 -6.313 1.00 0.00 C ATOM 1328 C TYR A 91 -1.441 -4.841 -4.837 1.00 0.00 C ATOM 1329 O TYR A 91 -0.286 -4.841 -4.222 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.574 -5.102 -7.359 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.900 -6.617 -7.748 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.145 -7.016 -8.288 1.00 0.00 C ATOM 1333 CD2 TYR A 91 0.042 -7.599 -7.528 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.414 -8.308 -8.580 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.210 -8.915 -7.826 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.444 -9.276 -8.352 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.697 -10.592 -8.664 1.00 0.00 O ATOM 0 H TYR A 91 -0.427 -2.550 -6.064 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.577 -4.543 -6.640 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.548 -4.524 -8.283 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.432 -5.079 -6.941 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.902 -6.268 -8.472 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.001 -7.327 -7.112 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.375 -8.586 -8.987 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.547 -9.666 -7.652 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.913 -11.137 -8.443 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.670 -5.324 -4.333 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.953 -5.816 -2.878 1.00 0.00 C ATOM 1349 C VAL A 92 -3.123 -7.452 -2.700 1.00 0.00 C ATOM 1350 O VAL A 92 -3.479 -8.176 -3.684 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.203 -4.967 -2.127 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.949 -3.461 -1.984 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.612 -5.217 -2.738 1.00 0.00 C ATOM 0 H VAL A 92 -3.499 -5.385 -4.925 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.030 -5.578 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.204 -5.395 -1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.802 -2.993 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.051 -3.298 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.813 -3.020 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.354 -4.632 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.612 -4.919 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.859 -6.276 -2.662 1.00 0.00 H new ATOM 1363 N MET A 93 -2.929 -7.916 -1.367 1.00 0.00 N ATOM 1364 CA MET A 93 -2.941 -9.392 -0.850 1.00 0.00 C ATOM 1365 C MET A 93 -3.965 -9.656 0.348 1.00 0.00 C ATOM 1366 O MET A 93 -3.838 -9.068 1.462 1.00 0.00 O ATOM 1367 CB MET A 93 -1.417 -10.019 -0.605 1.00 0.00 C ATOM 1368 CG MET A 93 -0.368 -9.295 0.403 1.00 0.00 C ATOM 1369 SD MET A 93 -0.729 -9.379 2.216 1.00 0.00 S ATOM 1370 CE MET A 93 -0.201 -11.046 2.723 1.00 0.00 C ATOM 0 H MET A 93 -2.756 -7.258 -0.607 1.00 0.00 H new ATOM 0 HA MET A 93 -3.351 -9.977 -1.673 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.545 -11.042 -0.252 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.935 -10.077 -1.581 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.616 -9.733 0.235 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.302 -8.244 0.122 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.382 -11.176 3.790 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.766 -11.792 2.165 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.863 -11.169 2.518 1.00 0.00 H new ATOM 1380 N ARG A 94 -4.993 -10.567 0.044 1.00 0.00 N ATOM 1381 CA ARG A 94 -6.115 -11.061 0.962 1.00 0.00 C ATOM 1382 C ARG A 94 -5.995 -12.619 1.197 1.00 0.00 C ATOM 1383 O ARG A 94 -5.620 -13.401 0.256 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.598 -10.696 0.413 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.066 -9.227 0.527 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.496 -9.081 -0.007 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.034 -7.668 0.127 1.00 0.00 N ATOM 1388 CZ ARG A 94 -11.294 -7.134 -0.263 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.290 -7.862 -0.870 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -11.527 -5.849 -0.030 1.00 0.00 N ATOM 0 H ARG A 94 -5.058 -10.988 -0.883 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.989 -10.535 1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.646 -10.983 -0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.316 -11.319 0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.024 -8.905 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.393 -8.579 -0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.519 -9.375 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.151 -9.767 0.530 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.397 -7.001 0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.149 -8.853 -1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.170 -7.411 -1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.813 -5.274 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.420 -5.436 -0.298 1.00 0.00 H new ATOM 1604 N SER B 8 2.828 9.470 5.484 1.00 0.00 N ATOM 1605 CA SER B 8 3.055 9.017 4.038 1.00 0.00 C ATOM 1606 C SER B 8 1.680 9.126 3.175 1.00 0.00 C ATOM 1607 O SER B 8 0.691 9.775 3.649 1.00 0.00 O ATOM 1608 CB SER B 8 3.644 7.500 4.047 1.00 0.00 C ATOM 1609 OG SER B 8 4.906 7.406 4.712 1.00 0.00 O ATOM 0 HA SER B 8 3.781 9.672 3.556 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.929 6.839 4.537 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.751 7.149 3.021 1.00 0.00 H new ATOM 0 HG SER B 8 5.026 6.497 5.058 1.00 0.00 H new ATOM 1615 N VAL B 9 1.658 8.502 1.871 1.00 0.00 N ATOM 1616 CA VAL B 9 0.462 8.476 0.906 1.00 0.00 C ATOM 1617 C VAL B 9 -0.046 6.936 0.812 1.00 0.00 C ATOM 1618 O VAL B 9 0.261 6.218 -0.159 1.00 0.00 O ATOM 1619 CB VAL B 9 0.794 9.188 -0.634 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.477 9.591 -1.381 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.710 10.457 -0.608 1.00 0.00 C ATOM 1622 OXT VAL B 9 -0.701 6.508 1.742 1.00 0.00 O ATOM 0 H VAL B 9 2.473 8.018 1.493 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.337 9.107 1.296 1.00 0.00 H new ATOM 0 HB VAL B 9 1.326 8.384 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -0.210 10.033 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -1.097 8.710 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -1.032 10.319 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL B 9 1.854 10.823 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.238 11.234 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.676 10.199 -0.175 1.00 0.00 H new