USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 50 THR OG1 : rot -79:sc= 0.267 USER MOD Set 1.2: A 98 TYR OH : rot -33:sc= 0.506 USER MOD Set 2.1: A 95 THR OG1 : rot 160:sc= 0.114 USER MOD Set 2.2: A 104 LYS NZ :NH3+ 172:sc= 0.117 (180deg=0) USER MOD Set 3.1: A 38 ASN : amide:sc= -3.06! K(o=-10!,f=-7.2) USER MOD Set 3.2: A 61 ASN : amide:sc= -7.08! C(o=-10!,f=-7.2!) USER MOD Single : A 13 ASN : amide:sc= -0.626 K(o=-0.63,f=-2.4!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.019) USER MOD Single : A 41 GLN : amide:sc= -10.1! C(o=-10!,f=-6!) USER MOD Single : A 42 TYR OH : rot -30:sc= -1.92! USER MOD Single : A 43 ASN : amide:sc= -8.33! C(o=-8.3!,f=-9.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.022) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.748 USER MOD Single : A 70 THR OG1 : rot 123:sc= 1.01 USER MOD Single : A 72 SER OG : rot 180:sc= -0.439 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.97 K(o=-2,f=-3.3!) USER MOD Single : A 89 ASN : amide:sc= -0.774 K(o=-0.77,f=-2.2!) USER MOD Single : A 90 THR OG1 : rot -150:sc= -0.331 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 1.23 USER MOD Single : A 99 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.062) USER MOD Single : A 100 MET CE :methyl -144:sc= -2.73! (180deg=-8.02!) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.748 K(o=-0.75,f=0.031) USER MOD Single : A 109 MET CE :methyl 143:sc= -6.62! (180deg=-10.8!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 155:sc= -0.0285 (180deg=-0.449) USER MOD Single : A 117 SER OG : rot 12:sc= 0.66 USER MOD Single : A 118 TYR OH : rot 180:sc= -2.37! USER MOD Single : A 123 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.537) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 10 13.324 3.724 1.407 1.00 0.00 N ATOM 132 CA ASP A 10 12.963 4.864 0.520 1.00 0.00 C ATOM 133 C ASP A 10 12.052 4.338 -0.589 1.00 0.00 C ATOM 134 O ASP A 10 12.398 4.357 -1.754 1.00 0.00 O ATOM 135 CB ASP A 10 14.235 5.451 -0.097 1.00 0.00 C ATOM 136 CG ASP A 10 13.951 6.861 -0.617 1.00 0.00 C ATOM 137 OD1 ASP A 10 12.850 7.085 -1.095 1.00 0.00 O ATOM 138 OD2 ASP A 10 14.838 7.693 -0.529 1.00 0.00 O ATOM 0 HA ASP A 10 12.453 5.641 1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.031 5.481 0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.583 4.816 -0.911 1.00 0.00 H new ATOM 143 N ILE A 11 10.892 3.857 -0.233 1.00 0.00 N ATOM 144 CA ILE A 11 9.968 3.315 -1.259 1.00 0.00 C ATOM 145 C ILE A 11 9.589 4.423 -2.226 1.00 0.00 C ATOM 146 O ILE A 11 9.780 4.296 -3.402 1.00 0.00 O ATOM 147 CB ILE A 11 8.703 2.790 -0.615 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.009 1.977 0.638 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.962 1.902 -1.605 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.811 0.734 0.257 1.00 0.00 C ATOM 0 H ILE A 11 10.547 3.818 0.726 1.00 0.00 H new ATOM 0 HA ILE A 11 10.471 2.501 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 11 8.091 3.647 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.572 2.582 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.081 1.687 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.051 1.523 -1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.705 2.481 -2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.599 1.065 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.030 0.153 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.231 0.126 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.745 1.035 -0.217 1.00 0.00 H new ATOM 162 N GLU A 12 9.037 5.502 -1.727 1.00 0.00 N ATOM 163 CA GLU A 12 8.605 6.640 -2.608 1.00 0.00 C ATOM 164 C GLU A 12 9.565 6.839 -3.791 1.00 0.00 C ATOM 165 O GLU A 12 9.143 7.041 -4.914 1.00 0.00 O ATOM 166 CB GLU A 12 8.568 7.927 -1.780 1.00 0.00 C ATOM 167 CG GLU A 12 7.121 8.277 -1.436 1.00 0.00 C ATOM 168 CD GLU A 12 7.043 9.732 -0.969 1.00 0.00 C ATOM 169 OE1 GLU A 12 7.905 10.136 -0.206 1.00 0.00 O ATOM 170 OE2 GLU A 12 6.122 10.418 -1.383 1.00 0.00 O ATOM 0 H GLU A 12 8.864 5.647 -0.732 1.00 0.00 H new ATOM 0 HA GLU A 12 7.618 6.403 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.149 7.800 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.027 8.743 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.483 8.129 -2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.751 7.613 -0.654 1.00 0.00 H new ATOM 177 N ASN A 13 10.846 6.776 -3.556 1.00 0.00 N ATOM 178 CA ASN A 13 11.815 6.952 -4.675 1.00 0.00 C ATOM 179 C ASN A 13 11.854 5.667 -5.507 1.00 0.00 C ATOM 180 O ASN A 13 11.877 5.694 -6.721 1.00 0.00 O ATOM 181 CB ASN A 13 13.206 7.231 -4.099 1.00 0.00 C ATOM 182 CG ASN A 13 14.141 7.696 -5.216 1.00 0.00 C ATOM 183 OD1 ASN A 13 13.986 7.307 -6.356 1.00 0.00 O ATOM 184 ND2 ASN A 13 15.115 8.519 -4.934 1.00 0.00 N ATOM 0 H ASN A 13 11.264 6.611 -2.640 1.00 0.00 H new ATOM 0 HA ASN A 13 11.509 7.788 -5.304 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.143 7.994 -3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.603 6.331 -3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.745 8.835 -5.671 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.245 8.846 -3.977 1.00 0.00 H new ATOM 191 N THR A 14 11.862 4.544 -4.848 1.00 0.00 N ATOM 192 CA THR A 14 11.901 3.234 -5.559 1.00 0.00 C ATOM 193 C THR A 14 10.597 3.016 -6.344 1.00 0.00 C ATOM 194 O THR A 14 10.511 2.142 -7.185 1.00 0.00 O ATOM 195 CB THR A 14 12.073 2.127 -4.505 1.00 0.00 C ATOM 196 OG1 THR A 14 13.412 2.143 -4.030 1.00 0.00 O ATOM 197 CG2 THR A 14 11.766 0.752 -5.104 1.00 0.00 C ATOM 0 H THR A 14 11.843 4.476 -3.830 1.00 0.00 H new ATOM 0 HA THR A 14 12.730 3.215 -6.267 1.00 0.00 H new ATOM 0 HB THR A 14 11.378 2.312 -3.686 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.529 1.441 -3.356 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.894 -0.015 -4.340 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.738 0.734 -5.467 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.446 0.556 -5.933 1.00 0.00 H new ATOM 205 N LEU A 15 9.585 3.790 -6.078 1.00 0.00 N ATOM 206 CA LEU A 15 8.299 3.610 -6.805 1.00 0.00 C ATOM 207 C LEU A 15 8.234 4.611 -7.960 1.00 0.00 C ATOM 208 O LEU A 15 7.533 4.410 -8.932 1.00 0.00 O ATOM 209 CB LEU A 15 7.126 3.832 -5.839 1.00 0.00 C ATOM 210 CG LEU A 15 7.353 3.028 -4.559 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.533 3.631 -3.418 1.00 0.00 C ATOM 212 CD2 LEU A 15 6.926 1.577 -4.777 1.00 0.00 C ATOM 0 H LEU A 15 9.592 4.541 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 15 8.235 2.598 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.033 4.892 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.192 3.527 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 15 8.412 3.060 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.698 3.055 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.841 4.664 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.475 3.605 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.090 1.008 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.869 1.544 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.514 1.142 -5.585 1.00 0.00 H new ATOM 224 N ALA A 16 8.970 5.685 -7.864 1.00 0.00 N ATOM 225 CA ALA A 16 8.964 6.695 -8.956 1.00 0.00 C ATOM 226 C ALA A 16 10.071 6.367 -9.967 1.00 0.00 C ATOM 227 O ALA A 16 10.114 6.913 -11.051 1.00 0.00 O ATOM 228 CB ALA A 16 9.213 8.083 -8.362 1.00 0.00 C ATOM 0 H ALA A 16 9.576 5.905 -7.074 1.00 0.00 H new ATOM 0 HA ALA A 16 7.998 6.679 -9.460 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.209 8.826 -9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.427 8.318 -7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.180 8.095 -7.859 1.00 0.00 H new ATOM 340 N ASP A 24 10.534 -5.762 -5.627 1.00 0.00 N ATOM 341 CA ASP A 24 9.430 -6.723 -5.354 1.00 0.00 C ATOM 342 C ASP A 24 9.811 -7.631 -4.172 1.00 0.00 C ATOM 343 O ASP A 24 8.995 -8.380 -3.670 1.00 0.00 O ATOM 344 CB ASP A 24 9.190 -7.575 -6.602 1.00 0.00 C ATOM 345 CG ASP A 24 10.462 -8.351 -6.947 1.00 0.00 C ATOM 346 OD1 ASP A 24 10.664 -9.406 -6.368 1.00 0.00 O ATOM 347 OD2 ASP A 24 11.212 -7.879 -7.784 1.00 0.00 O ATOM 0 HA ASP A 24 8.522 -6.176 -5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.366 -8.267 -6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.902 -6.939 -7.439 1.00 0.00 H new ATOM 352 N GLY A 25 11.043 -7.580 -3.724 1.00 0.00 N ATOM 353 CA GLY A 25 11.462 -8.447 -2.584 1.00 0.00 C ATOM 354 C GLY A 25 11.318 -7.685 -1.262 1.00 0.00 C ATOM 355 O GLY A 25 11.929 -8.029 -0.270 1.00 0.00 O ATOM 0 H GLY A 25 11.773 -6.975 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.852 -9.350 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.496 -8.764 -2.719 1.00 0.00 H new ATOM 359 N LEU A 26 10.511 -6.659 -1.232 1.00 0.00 N ATOM 360 CA LEU A 26 10.329 -5.898 0.019 1.00 0.00 C ATOM 361 C LEU A 26 9.596 -6.776 1.024 1.00 0.00 C ATOM 362 O LEU A 26 8.803 -7.627 0.674 1.00 0.00 O ATOM 363 CB LEU A 26 9.475 -4.646 -0.243 1.00 0.00 C ATOM 364 CG LEU A 26 10.250 -3.617 -1.073 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.261 -2.754 -1.867 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.063 -2.714 -0.141 1.00 0.00 C ATOM 0 H LEU A 26 9.971 -6.320 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 26 11.305 -5.600 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.562 -4.928 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.174 -4.201 0.706 1.00 0.00 H new ATOM 0 HG LEU A 26 10.920 -4.137 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.810 -2.021 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.675 -3.390 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.594 -2.237 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.614 -1.983 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.390 -2.196 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.765 -3.320 0.432 1.00 0.00 H new ATOM 378 N ALA A 27 9.826 -6.533 2.273 1.00 0.00 N ATOM 379 CA ALA A 27 9.116 -7.301 3.343 1.00 0.00 C ATOM 380 C ALA A 27 7.762 -6.622 3.619 1.00 0.00 C ATOM 381 O ALA A 27 7.055 -6.947 4.567 1.00 0.00 O ATOM 382 CB ALA A 27 9.958 -7.302 4.622 1.00 0.00 C ATOM 0 H ALA A 27 10.481 -5.829 2.613 1.00 0.00 H new ATOM 0 HA ALA A 27 8.960 -8.330 3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.438 -7.862 5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.923 -7.768 4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.113 -6.276 4.956 1.00 0.00 H new ATOM 388 N PHE A 28 7.404 -5.670 2.792 1.00 0.00 N ATOM 389 CA PHE A 28 6.133 -4.944 2.957 1.00 0.00 C ATOM 390 C PHE A 28 5.715 -4.442 1.576 1.00 0.00 C ATOM 391 O PHE A 28 6.410 -3.673 0.944 1.00 0.00 O ATOM 392 CB PHE A 28 6.329 -3.760 3.905 1.00 0.00 C ATOM 393 CG PHE A 28 7.541 -2.959 3.493 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.829 -3.511 3.566 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.370 -1.658 3.041 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.938 -2.753 3.180 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.472 -0.898 2.656 1.00 0.00 C ATOM 398 CZ PHE A 28 9.760 -1.445 2.723 1.00 0.00 C ATOM 0 H PHE A 28 7.962 -5.368 1.994 1.00 0.00 H new ATOM 0 HA PHE A 28 5.368 -5.595 3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.443 -3.125 3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.451 -4.119 4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.963 -4.522 3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.379 -1.233 2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.930 -3.177 3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.333 0.114 2.305 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.614 -0.856 2.422 1.00 0.00 H new ATOM 408 N GLY A 29 4.603 -4.900 1.095 1.00 0.00 N ATOM 409 CA GLY A 29 4.142 -4.488 -0.260 1.00 0.00 C ATOM 410 C GLY A 29 4.089 -2.966 -0.377 1.00 0.00 C ATOM 411 O GLY A 29 4.043 -2.256 0.607 1.00 0.00 O ATOM 0 H GLY A 29 3.984 -5.548 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.815 -4.892 -1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.155 -4.907 -0.456 1.00 0.00 H new ATOM 415 N ALA A 30 4.065 -2.461 -1.586 1.00 0.00 N ATOM 416 CA ALA A 30 3.981 -0.987 -1.781 1.00 0.00 C ATOM 417 C ALA A 30 2.976 -0.723 -2.897 1.00 0.00 C ATOM 418 O ALA A 30 3.171 -1.131 -4.024 1.00 0.00 O ATOM 419 CB ALA A 30 5.351 -0.405 -2.162 1.00 0.00 C ATOM 0 H ALA A 30 4.100 -3.010 -2.445 1.00 0.00 H new ATOM 0 HA ALA A 30 3.665 -0.509 -0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.263 0.673 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.068 -0.613 -1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.695 -0.862 -3.090 1.00 0.00 H new ATOM 425 N ILE A 31 1.888 -0.071 -2.593 1.00 0.00 N ATOM 426 CA ILE A 31 0.870 0.183 -3.648 1.00 0.00 C ATOM 427 C ILE A 31 0.689 1.690 -3.839 1.00 0.00 C ATOM 428 O ILE A 31 0.983 2.476 -2.968 1.00 0.00 O ATOM 429 CB ILE A 31 -0.459 -0.482 -3.247 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.156 0.312 -2.135 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.167 -1.893 -2.739 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.031 1.402 -2.757 1.00 0.00 C ATOM 0 H ILE A 31 1.662 0.294 -1.668 1.00 0.00 H new ATOM 0 HA ILE A 31 1.203 -0.245 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.114 -0.511 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.766 -0.355 -1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.414 0.760 -1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.101 -2.376 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.313 -2.472 -3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.495 -1.839 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.526 1.966 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.409 2.075 -3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.782 0.943 -3.400 1.00 0.00 H new ATOM 444 N GLN A 32 0.202 2.092 -4.976 1.00 0.00 N ATOM 445 CA GLN A 32 -0.006 3.541 -5.227 1.00 0.00 C ATOM 446 C GLN A 32 -1.476 3.762 -5.577 1.00 0.00 C ATOM 447 O GLN A 32 -2.208 2.823 -5.819 1.00 0.00 O ATOM 448 CB GLN A 32 0.882 3.991 -6.389 1.00 0.00 C ATOM 449 CG GLN A 32 2.174 4.602 -5.837 1.00 0.00 C ATOM 450 CD GLN A 32 3.125 4.925 -6.992 1.00 0.00 C ATOM 451 OE1 GLN A 32 3.098 6.013 -7.533 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.974 4.019 -7.395 1.00 0.00 N ATOM 0 H GLN A 32 -0.062 1.477 -5.745 1.00 0.00 H new ATOM 0 HA GLN A 32 0.256 4.121 -4.342 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.114 3.143 -7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.354 4.722 -7.002 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.948 5.508 -5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.650 3.907 -5.145 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.998 3.105 -6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.613 4.225 -8.163 1.00 0.00 H new ATOM 461 N LEU A 33 -1.921 4.985 -5.602 1.00 0.00 N ATOM 462 CA LEU A 33 -3.345 5.234 -5.934 1.00 0.00 C ATOM 463 C LEU A 33 -3.498 6.609 -6.579 1.00 0.00 C ATOM 464 O LEU A 33 -2.774 7.536 -6.275 1.00 0.00 O ATOM 465 CB LEU A 33 -4.187 5.205 -4.656 1.00 0.00 C ATOM 466 CG LEU A 33 -4.571 3.765 -4.327 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.379 3.738 -3.029 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.422 3.188 -5.461 1.00 0.00 C ATOM 0 H LEU A 33 -1.363 5.817 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.681 4.460 -6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.626 5.640 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.084 5.810 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.666 3.169 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.654 2.710 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.778 4.148 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.282 4.336 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.695 2.160 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.326 3.786 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.852 3.207 -6.390 1.00 0.00 H new ATOM 480 N ASP A 34 -4.469 6.758 -7.430 1.00 0.00 N ATOM 481 CA ASP A 34 -4.714 8.076 -8.055 1.00 0.00 C ATOM 482 C ASP A 34 -5.945 8.645 -7.368 1.00 0.00 C ATOM 483 O ASP A 34 -6.585 7.944 -6.625 1.00 0.00 O ATOM 484 CB ASP A 34 -4.956 7.908 -9.555 1.00 0.00 C ATOM 485 CG ASP A 34 -4.077 8.893 -10.328 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.922 8.570 -10.555 1.00 0.00 O ATOM 487 OD2 ASP A 34 -4.572 9.951 -10.678 1.00 0.00 O ATOM 0 H ASP A 34 -5.106 6.016 -7.720 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.860 8.743 -7.941 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.729 6.886 -9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.007 8.083 -9.786 1.00 0.00 H new ATOM 492 N GLY A 35 -6.253 9.897 -7.573 1.00 0.00 N ATOM 493 CA GLY A 35 -7.430 10.529 -6.883 1.00 0.00 C ATOM 494 C GLY A 35 -8.698 9.659 -6.941 1.00 0.00 C ATOM 495 O GLY A 35 -9.534 9.733 -6.062 1.00 0.00 O ATOM 0 H GLY A 35 -5.738 10.521 -8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.174 10.720 -5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.638 11.496 -7.342 1.00 0.00 H new ATOM 499 N ASP A 36 -8.873 8.857 -7.955 1.00 0.00 N ATOM 500 CA ASP A 36 -10.117 8.021 -8.027 1.00 0.00 C ATOM 501 C ASP A 36 -9.939 6.719 -7.233 1.00 0.00 C ATOM 502 O ASP A 36 -10.748 5.817 -7.312 1.00 0.00 O ATOM 503 CB ASP A 36 -10.410 7.681 -9.490 1.00 0.00 C ATOM 504 CG ASP A 36 -11.681 8.406 -9.937 1.00 0.00 C ATOM 505 OD1 ASP A 36 -11.732 9.616 -9.787 1.00 0.00 O ATOM 506 OD2 ASP A 36 -12.579 7.739 -10.421 1.00 0.00 O ATOM 0 H ASP A 36 -8.221 8.741 -8.731 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.945 8.585 -7.597 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.570 7.976 -10.118 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.532 6.604 -9.607 1.00 0.00 H new ATOM 511 N GLY A 37 -8.884 6.615 -6.480 1.00 0.00 N ATOM 512 CA GLY A 37 -8.635 5.381 -5.688 1.00 0.00 C ATOM 513 C GLY A 37 -8.158 4.290 -6.646 1.00 0.00 C ATOM 514 O GLY A 37 -8.361 3.117 -6.413 1.00 0.00 O ATOM 0 H GLY A 37 -8.175 7.341 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.885 5.567 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.545 5.067 -5.176 1.00 0.00 H new ATOM 518 N ASN A 38 -7.560 4.670 -7.748 1.00 0.00 N ATOM 519 CA ASN A 38 -7.121 3.632 -8.742 1.00 0.00 C ATOM 520 C ASN A 38 -5.672 3.217 -8.504 1.00 0.00 C ATOM 521 O ASN A 38 -4.805 4.034 -8.314 1.00 0.00 O ATOM 522 CB ASN A 38 -7.252 4.188 -10.160 1.00 0.00 C ATOM 523 CG ASN A 38 -8.718 4.143 -10.598 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.272 5.143 -11.010 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.374 3.017 -10.526 1.00 0.00 N ATOM 0 H ASN A 38 -7.358 5.637 -8.003 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.760 2.758 -8.619 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.883 5.213 -10.195 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.639 3.605 -10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.351 2.977 -10.816 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.909 2.177 -10.180 1.00 0.00 H new ATOM 532 N ILE A 39 -5.406 1.942 -8.518 1.00 0.00 N ATOM 533 CA ILE A 39 -4.011 1.466 -8.282 1.00 0.00 C ATOM 534 C ILE A 39 -3.062 1.976 -9.375 1.00 0.00 C ATOM 535 O ILE A 39 -3.362 1.948 -10.551 1.00 0.00 O ATOM 536 CB ILE A 39 -4.005 -0.087 -8.211 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.393 -0.515 -6.872 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.196 -0.726 -9.357 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.491 -0.596 -5.808 1.00 0.00 C ATOM 0 H ILE A 39 -6.093 1.206 -8.683 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.652 1.866 -7.334 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.036 -0.429 -8.305 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.903 -1.483 -6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.628 0.198 -6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.224 -1.811 -9.261 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.629 -0.435 -10.314 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.162 -0.384 -9.308 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.054 -0.900 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.961 0.381 -5.695 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.240 -1.326 -6.113 1.00 0.00 H new ATOM 551 N LEU A 40 -1.899 2.392 -8.969 1.00 0.00 N ATOM 552 CA LEU A 40 -0.871 2.859 -9.939 1.00 0.00 C ATOM 553 C LEU A 40 0.246 1.809 -9.959 1.00 0.00 C ATOM 554 O LEU A 40 0.915 1.606 -10.953 1.00 0.00 O ATOM 555 CB LEU A 40 -0.301 4.214 -9.493 1.00 0.00 C ATOM 556 CG LEU A 40 -1.403 5.051 -8.830 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.822 6.365 -8.316 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.493 5.354 -9.852 1.00 0.00 C ATOM 0 H LEU A 40 -1.611 2.429 -7.991 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.307 2.983 -10.930 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.521 4.060 -8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.106 4.748 -10.352 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.822 4.490 -7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.611 6.953 -7.847 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.041 6.156 -7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.398 6.926 -9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.277 5.949 -9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.065 5.911 -10.686 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.917 4.420 -10.219 1.00 0.00 H new ATOM 570 N GLN A 41 0.432 1.135 -8.851 1.00 0.00 N ATOM 571 CA GLN A 41 1.481 0.079 -8.755 1.00 0.00 C ATOM 572 C GLN A 41 1.136 -0.810 -7.536 1.00 0.00 C ATOM 573 O GLN A 41 0.385 -0.412 -6.671 1.00 0.00 O ATOM 574 CB GLN A 41 2.858 0.769 -8.619 1.00 0.00 C ATOM 575 CG GLN A 41 3.883 -0.144 -7.934 1.00 0.00 C ATOM 576 CD GLN A 41 3.847 0.061 -6.413 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.750 -0.361 -5.719 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.844 0.691 -5.855 1.00 0.00 N ATOM 0 H GLN A 41 -0.108 1.276 -7.997 1.00 0.00 H new ATOM 0 HA GLN A 41 1.520 -0.554 -9.641 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.224 1.050 -9.607 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.749 1.689 -8.045 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.669 -1.186 -8.172 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.882 0.071 -8.313 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.082 1.048 -6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.825 0.825 -4.844 1.00 0.00 H new ATOM 587 N TYR A 42 1.641 -2.017 -7.471 1.00 0.00 N ATOM 588 CA TYR A 42 1.293 -2.912 -6.319 1.00 0.00 C ATOM 589 C TYR A 42 2.564 -3.651 -5.844 1.00 0.00 C ATOM 590 O TYR A 42 2.890 -3.663 -4.666 1.00 0.00 O ATOM 591 CB TYR A 42 0.244 -3.929 -6.806 1.00 0.00 C ATOM 592 CG TYR A 42 -0.840 -4.139 -5.768 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.496 -3.038 -5.205 1.00 0.00 C ATOM 594 CD2 TYR A 42 -1.205 -5.436 -5.377 1.00 0.00 C ATOM 595 CE1 TYR A 42 -2.507 -3.235 -4.251 1.00 0.00 C ATOM 596 CE2 TYR A 42 -2.212 -5.624 -4.426 1.00 0.00 C ATOM 597 CZ TYR A 42 -2.861 -4.533 -3.866 1.00 0.00 C ATOM 598 OH TYR A 42 -3.837 -4.748 -2.920 1.00 0.00 O ATOM 0 H TYR A 42 2.275 -2.421 -8.160 1.00 0.00 H new ATOM 0 HA TYR A 42 0.893 -2.332 -5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.203 -3.577 -7.736 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.730 -4.880 -7.025 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.224 -2.037 -5.505 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.707 -6.290 -5.811 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.011 -2.385 -3.815 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.486 -6.624 -4.125 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.852 -3.998 -2.289 1.00 0.00 H new ATOM 608 N ASN A 43 3.269 -4.263 -6.770 1.00 0.00 N ATOM 609 CA ASN A 43 4.528 -5.024 -6.452 1.00 0.00 C ATOM 610 C ASN A 43 4.167 -6.476 -6.081 1.00 0.00 C ATOM 611 O ASN A 43 3.009 -6.824 -5.970 1.00 0.00 O ATOM 612 CB ASN A 43 5.358 -4.302 -5.356 1.00 0.00 C ATOM 613 CG ASN A 43 5.211 -4.951 -3.975 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.161 -5.448 -3.628 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.237 -4.957 -3.170 1.00 0.00 N ATOM 0 H ASN A 43 3.019 -4.267 -7.759 1.00 0.00 H new ATOM 0 HA ASN A 43 5.170 -5.058 -7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.410 -4.304 -5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.045 -3.259 -5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.157 -5.381 -2.246 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.119 -4.538 -3.465 1.00 0.00 H new ATOM 622 N ALA A 44 5.146 -7.335 -5.943 1.00 0.00 N ATOM 623 CA ALA A 44 4.847 -8.769 -5.642 1.00 0.00 C ATOM 624 C ALA A 44 4.924 -9.092 -4.140 1.00 0.00 C ATOM 625 O ALA A 44 4.462 -10.131 -3.718 1.00 0.00 O ATOM 626 CB ALA A 44 5.847 -9.650 -6.391 1.00 0.00 C ATOM 0 H ALA A 44 6.137 -7.106 -6.025 1.00 0.00 H new ATOM 0 HA ALA A 44 3.824 -8.964 -5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.638 -10.699 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.758 -9.472 -7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.859 -9.409 -6.066 1.00 0.00 H new ATOM 632 N ALA A 45 5.509 -8.251 -3.330 1.00 0.00 N ATOM 633 CA ALA A 45 5.595 -8.583 -1.870 1.00 0.00 C ATOM 634 C ALA A 45 4.188 -8.764 -1.305 1.00 0.00 C ATOM 635 O ALA A 45 3.809 -9.838 -0.878 1.00 0.00 O ATOM 636 CB ALA A 45 6.308 -7.459 -1.120 1.00 0.00 C ATOM 0 H ALA A 45 5.926 -7.362 -3.605 1.00 0.00 H new ATOM 0 HA ALA A 45 6.159 -9.507 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.366 -7.708 -0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.315 -7.336 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.753 -6.529 -1.244 1.00 0.00 H new ATOM 642 N GLU A 46 3.412 -7.721 -1.296 1.00 0.00 N ATOM 643 CA GLU A 46 2.022 -7.832 -0.769 1.00 0.00 C ATOM 644 C GLU A 46 1.256 -8.864 -1.584 1.00 0.00 C ATOM 645 O GLU A 46 0.651 -9.775 -1.057 1.00 0.00 O ATOM 646 CB GLU A 46 1.294 -6.488 -0.879 1.00 0.00 C ATOM 647 CG GLU A 46 1.666 -5.754 -2.168 1.00 0.00 C ATOM 648 CD GLU A 46 0.416 -5.640 -3.010 1.00 0.00 C ATOM 649 OE1 GLU A 46 -0.008 -4.526 -3.252 1.00 0.00 O ATOM 650 OE2 GLU A 46 -0.172 -6.819 -3.411 1.00 0.00 O ATOM 0 H GLU A 46 3.677 -6.795 -1.630 1.00 0.00 H new ATOM 0 HA GLU A 46 2.072 -8.130 0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.217 -6.653 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.544 -5.866 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.067 -4.766 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.442 -6.298 -2.707 1.00 0.00 H new ATOM 658 N GLY A 47 1.279 -8.715 -2.874 1.00 0.00 N ATOM 659 CA GLY A 47 0.560 -9.670 -3.764 1.00 0.00 C ATOM 660 C GLY A 47 1.063 -11.091 -3.502 1.00 0.00 C ATOM 661 O GLY A 47 0.438 -12.051 -3.888 1.00 0.00 O ATOM 0 H GLY A 47 1.770 -7.964 -3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.513 -9.614 -3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.722 -9.402 -4.808 1.00 0.00 H new ATOM 665 N ASP A 48 2.185 -11.241 -2.848 1.00 0.00 N ATOM 666 CA ASP A 48 2.689 -12.612 -2.564 1.00 0.00 C ATOM 667 C ASP A 48 1.870 -13.192 -1.409 1.00 0.00 C ATOM 668 O ASP A 48 1.496 -14.348 -1.416 1.00 0.00 O ATOM 669 CB ASP A 48 4.167 -12.557 -2.168 1.00 0.00 C ATOM 670 CG ASP A 48 4.660 -13.965 -1.834 1.00 0.00 C ATOM 671 OD1 ASP A 48 4.602 -14.815 -2.707 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.088 -14.170 -0.709 1.00 0.00 O ATOM 0 H ASP A 48 2.768 -10.479 -2.502 1.00 0.00 H new ATOM 0 HA ASP A 48 2.590 -13.236 -3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.757 -12.138 -2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.300 -11.901 -1.308 1.00 0.00 H new ATOM 677 N ILE A 49 1.579 -12.387 -0.420 1.00 0.00 N ATOM 678 CA ILE A 49 0.774 -12.877 0.734 1.00 0.00 C ATOM 679 C ILE A 49 -0.690 -13.037 0.288 1.00 0.00 C ATOM 680 O ILE A 49 -1.258 -14.110 0.355 1.00 0.00 O ATOM 681 CB ILE A 49 0.929 -11.879 1.908 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.596 -12.595 3.086 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.413 -11.292 2.377 1.00 0.00 C ATOM 684 CD1 ILE A 49 0.721 -13.764 3.538 1.00 0.00 C ATOM 0 H ILE A 49 1.866 -11.410 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 49 1.123 -13.851 1.077 1.00 0.00 H new ATOM 0 HB ILE A 49 1.539 -11.050 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.582 -12.957 2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.744 -11.898 3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.239 -10.600 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.886 -10.761 1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.066 -12.098 2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.197 -14.272 4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.255 -13.390 3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.595 -14.465 2.713 1.00 0.00 H new ATOM 696 N THR A 50 -1.300 -11.972 -0.159 1.00 0.00 N ATOM 697 CA THR A 50 -2.733 -12.068 -0.606 1.00 0.00 C ATOM 698 C THR A 50 -2.814 -12.693 -2.004 1.00 0.00 C ATOM 699 O THR A 50 -3.886 -13.002 -2.486 1.00 0.00 O ATOM 700 CB THR A 50 -3.423 -10.683 -0.634 1.00 0.00 C ATOM 701 OG1 THR A 50 -4.437 -10.689 -1.630 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.422 -9.559 -0.955 1.00 0.00 C ATOM 0 H THR A 50 -0.879 -11.046 -0.236 1.00 0.00 H new ATOM 0 HA THR A 50 -3.252 -12.698 0.117 1.00 0.00 H new ATOM 0 HB THR A 50 -3.847 -10.496 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.029 -10.569 -2.513 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.942 -8.601 -0.966 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.641 -9.539 -0.195 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.973 -9.740 -1.932 1.00 0.00 H new ATOM 710 N GLY A 51 -1.707 -12.885 -2.663 1.00 0.00 N ATOM 711 CA GLY A 51 -1.753 -13.491 -4.020 1.00 0.00 C ATOM 712 C GLY A 51 -2.068 -12.419 -5.075 1.00 0.00 C ATOM 713 O GLY A 51 -2.096 -12.700 -6.257 1.00 0.00 O ATOM 0 H GLY A 51 -0.775 -12.649 -2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.797 -13.964 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.511 -14.274 -4.050 1.00 0.00 H new ATOM 717 N ARG A 52 -2.314 -11.197 -4.671 1.00 0.00 N ATOM 718 CA ARG A 52 -2.629 -10.137 -5.675 1.00 0.00 C ATOM 719 C ARG A 52 -1.454 -9.956 -6.632 1.00 0.00 C ATOM 720 O ARG A 52 -0.355 -10.415 -6.389 1.00 0.00 O ATOM 721 CB ARG A 52 -2.918 -8.805 -4.967 1.00 0.00 C ATOM 722 CG ARG A 52 -4.431 -8.589 -4.901 1.00 0.00 C ATOM 723 CD ARG A 52 -4.853 -8.302 -3.470 1.00 0.00 C ATOM 724 NE ARG A 52 -5.642 -7.046 -3.414 1.00 0.00 N ATOM 725 CZ ARG A 52 -6.730 -6.970 -4.125 1.00 0.00 C ATOM 726 NH1 ARG A 52 -7.844 -7.443 -3.645 1.00 0.00 N ATOM 727 NH2 ARG A 52 -6.703 -6.444 -5.319 1.00 0.00 N ATOM 0 H ARG A 52 -2.310 -10.891 -3.698 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.510 -10.444 -6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.496 -8.814 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.444 -7.983 -5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.717 -7.758 -5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.949 -9.473 -5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.446 -9.131 -3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.973 -8.217 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.340 -6.263 -2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.860 -7.869 -2.718 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.701 -7.387 -4.196 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.826 -6.089 -5.700 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.559 -6.387 -5.871 1.00 0.00 H new ATOM 741 N ASP A 53 -1.685 -9.282 -7.722 1.00 0.00 N ATOM 742 CA ASP A 53 -0.601 -9.048 -8.712 1.00 0.00 C ATOM 743 C ASP A 53 -0.626 -7.566 -9.102 1.00 0.00 C ATOM 744 O ASP A 53 -1.568 -6.875 -8.781 1.00 0.00 O ATOM 745 CB ASP A 53 -0.852 -9.916 -9.948 1.00 0.00 C ATOM 746 CG ASP A 53 -0.085 -11.233 -9.813 1.00 0.00 C ATOM 747 OD1 ASP A 53 0.901 -11.250 -9.095 1.00 0.00 O ATOM 748 OD2 ASP A 53 -0.496 -12.202 -10.430 1.00 0.00 O ATOM 0 H ASP A 53 -2.588 -8.879 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 53 0.370 -9.307 -8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.918 -10.114 -10.056 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.533 -9.388 -10.847 1.00 0.00 H new ATOM 753 N PRO A 54 0.399 -7.107 -9.781 1.00 0.00 N ATOM 754 CA PRO A 54 0.470 -5.701 -10.208 1.00 0.00 C ATOM 755 C PRO A 54 -0.432 -5.475 -11.425 1.00 0.00 C ATOM 756 O PRO A 54 -1.082 -4.456 -11.548 1.00 0.00 O ATOM 757 CB PRO A 54 1.946 -5.503 -10.563 1.00 0.00 C ATOM 758 CG PRO A 54 2.516 -6.911 -10.859 1.00 0.00 C ATOM 759 CD PRO A 54 1.569 -7.921 -10.181 1.00 0.00 C ATOM 0 HA PRO A 54 0.132 -4.999 -9.446 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.053 -4.850 -11.430 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.484 -5.031 -9.740 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.569 -7.090 -11.933 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.529 -7.008 -10.470 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.283 -8.720 -10.865 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.040 -8.392 -9.319 1.00 0.00 H new ATOM 767 N LYS A 55 -0.479 -6.422 -12.322 1.00 0.00 N ATOM 768 CA LYS A 55 -1.340 -6.268 -13.524 1.00 0.00 C ATOM 769 C LYS A 55 -2.795 -6.573 -13.153 1.00 0.00 C ATOM 770 O LYS A 55 -3.718 -6.113 -13.795 1.00 0.00 O ATOM 771 CB LYS A 55 -0.878 -7.235 -14.619 1.00 0.00 C ATOM 772 CG LYS A 55 -1.015 -8.678 -14.126 1.00 0.00 C ATOM 773 CD LYS A 55 -0.058 -9.577 -14.911 1.00 0.00 C ATOM 774 CE LYS A 55 -0.731 -10.921 -15.191 1.00 0.00 C ATOM 775 NZ LYS A 55 0.307 -11.933 -15.538 1.00 0.00 N ATOM 0 H LYS A 55 0.044 -7.297 -12.272 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.265 -5.245 -13.892 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.474 -7.090 -15.520 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.159 -7.029 -14.886 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.791 -8.733 -13.061 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.041 -9.022 -14.254 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.222 -9.097 -15.849 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.861 -9.730 -14.345 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.294 -11.247 -14.317 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.444 -10.820 -16.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.150 -12.848 -15.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.826 -11.622 -16.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.970 -12.036 -14.744 1.00 0.00 H new ATOM 789 N GLN A 56 -3.005 -7.347 -12.122 1.00 0.00 N ATOM 790 CA GLN A 56 -4.399 -7.682 -11.712 1.00 0.00 C ATOM 791 C GLN A 56 -4.988 -6.518 -10.912 1.00 0.00 C ATOM 792 O GLN A 56 -6.108 -6.103 -11.138 1.00 0.00 O ATOM 793 CB GLN A 56 -4.389 -8.946 -10.848 1.00 0.00 C ATOM 794 CG GLN A 56 -5.687 -9.727 -11.063 1.00 0.00 C ATOM 795 CD GLN A 56 -5.382 -11.031 -11.801 1.00 0.00 C ATOM 796 OE1 GLN A 56 -5.927 -12.067 -11.479 1.00 0.00 O ATOM 797 NE2 GLN A 56 -4.524 -11.026 -12.784 1.00 0.00 N ATOM 0 H GLN A 56 -2.272 -7.761 -11.547 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.007 -7.857 -12.600 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.532 -9.568 -11.106 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.284 -8.679 -9.797 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.158 -9.941 -10.104 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.393 -9.128 -11.638 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.065 -10.157 -13.056 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.312 -11.891 -13.280 1.00 0.00 H new ATOM 806 N VAL A 57 -4.240 -5.979 -9.987 1.00 0.00 N ATOM 807 CA VAL A 57 -4.758 -4.831 -9.190 1.00 0.00 C ATOM 808 C VAL A 57 -4.866 -3.602 -10.091 1.00 0.00 C ATOM 809 O VAL A 57 -5.421 -2.594 -9.706 1.00 0.00 O ATOM 810 CB VAL A 57 -3.807 -4.510 -8.037 1.00 0.00 C ATOM 811 CG1 VAL A 57 -3.816 -5.656 -7.025 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.392 -4.308 -8.584 1.00 0.00 C ATOM 0 H VAL A 57 -3.296 -6.283 -9.750 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.735 -5.097 -8.787 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.134 -3.597 -7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.137 -5.423 -6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.825 -5.788 -6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.493 -6.575 -7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.713 -4.079 -7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.062 -5.218 -9.084 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.391 -3.482 -9.296 1.00 0.00 H new ATOM 822 N ILE A 58 -4.337 -3.668 -11.285 1.00 0.00 N ATOM 823 CA ILE A 58 -4.423 -2.497 -12.189 1.00 0.00 C ATOM 824 C ILE A 58 -5.882 -2.325 -12.606 1.00 0.00 C ATOM 825 O ILE A 58 -6.496 -3.212 -13.166 1.00 0.00 O ATOM 826 CB ILE A 58 -3.482 -2.721 -13.395 1.00 0.00 C ATOM 827 CG1 ILE A 58 -2.231 -1.882 -13.173 1.00 0.00 C ATOM 828 CG2 ILE A 58 -4.126 -2.306 -14.730 1.00 0.00 C ATOM 829 CD1 ILE A 58 -1.158 -2.289 -14.183 1.00 0.00 C ATOM 0 H ILE A 58 -3.853 -4.481 -11.666 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.101 -1.580 -11.695 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.256 -3.785 -13.460 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.466 -0.823 -13.283 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.861 -2.023 -12.157 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.423 -2.484 -15.544 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.029 -2.893 -14.896 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.382 -1.247 -14.697 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.262 -1.688 -14.024 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.916 -3.344 -14.051 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.530 -2.126 -15.195 1.00 0.00 H new ATOM 841 N GLY A 59 -6.440 -1.196 -12.307 1.00 0.00 N ATOM 842 CA GLY A 59 -7.870 -0.960 -12.648 1.00 0.00 C ATOM 843 C GLY A 59 -8.707 -1.233 -11.399 1.00 0.00 C ATOM 844 O GLY A 59 -9.792 -0.711 -11.234 1.00 0.00 O ATOM 0 H GLY A 59 -5.971 -0.420 -11.840 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.016 0.065 -12.987 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.180 -1.613 -13.464 1.00 0.00 H new ATOM 848 N LYS A 60 -8.192 -2.038 -10.506 1.00 0.00 N ATOM 849 CA LYS A 60 -8.925 -2.341 -9.249 1.00 0.00 C ATOM 850 C LYS A 60 -8.739 -1.167 -8.295 1.00 0.00 C ATOM 851 O LYS A 60 -7.634 -0.709 -8.065 1.00 0.00 O ATOM 852 CB LYS A 60 -8.348 -3.607 -8.594 1.00 0.00 C ATOM 853 CG LYS A 60 -8.158 -4.702 -9.647 1.00 0.00 C ATOM 854 CD LYS A 60 -9.514 -5.072 -10.256 1.00 0.00 C ATOM 855 CE LYS A 60 -9.933 -6.456 -9.758 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.921 -7.049 -10.704 1.00 0.00 N ATOM 0 H LYS A 60 -7.287 -2.500 -10.598 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.980 -2.502 -9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.394 -3.378 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.018 -3.958 -7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.480 -4.356 -10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.700 -5.581 -9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.264 -4.331 -9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.450 -5.069 -11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.060 -7.103 -9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.369 -6.379 -8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.205 -7.990 -10.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.758 -6.435 -10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.490 -7.137 -11.646 1.00 0.00 H new ATOM 870 N ASN A 61 -9.803 -0.673 -7.736 1.00 0.00 N ATOM 871 CA ASN A 61 -9.668 0.465 -6.796 1.00 0.00 C ATOM 872 C ASN A 61 -9.210 -0.073 -5.445 1.00 0.00 C ATOM 873 O ASN A 61 -9.753 -1.032 -4.935 1.00 0.00 O ATOM 874 CB ASN A 61 -11.017 1.171 -6.635 1.00 0.00 C ATOM 875 CG ASN A 61 -10.897 2.628 -7.089 1.00 0.00 C ATOM 876 OD1 ASN A 61 -10.834 3.526 -6.274 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.862 2.901 -8.364 1.00 0.00 N ATOM 0 H ASN A 61 -10.755 -1.006 -7.889 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.941 1.179 -7.183 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.778 0.659 -7.223 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.337 1.130 -5.594 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.782 3.869 -8.676 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.915 2.147 -9.049 1.00 0.00 H new ATOM 884 N PHE A 62 -8.224 0.533 -4.853 1.00 0.00 N ATOM 885 CA PHE A 62 -7.753 0.044 -3.527 1.00 0.00 C ATOM 886 C PHE A 62 -8.889 0.120 -2.504 1.00 0.00 C ATOM 887 O PHE A 62 -8.808 -0.446 -1.433 1.00 0.00 O ATOM 888 CB PHE A 62 -6.603 0.907 -3.035 1.00 0.00 C ATOM 889 CG PHE A 62 -6.088 0.298 -1.763 1.00 0.00 C ATOM 890 CD1 PHE A 62 -5.116 -0.700 -1.818 1.00 0.00 C ATOM 891 CD2 PHE A 62 -6.598 0.719 -0.533 1.00 0.00 C ATOM 892 CE1 PHE A 62 -4.650 -1.285 -0.635 1.00 0.00 C ATOM 893 CE2 PHE A 62 -6.134 0.138 0.649 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.161 -0.865 0.600 1.00 0.00 C ATOM 0 H PHE A 62 -7.725 1.341 -5.225 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.424 -0.989 -3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.812 0.954 -3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.939 1.929 -2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.723 -1.021 -2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.350 1.493 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.898 -2.059 -0.674 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.527 0.463 1.601 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.803 -1.316 1.514 1.00 0.00 H new ATOM 904 N PHE A 63 -9.938 0.825 -2.812 1.00 0.00 N ATOM 905 CA PHE A 63 -11.054 0.947 -1.836 1.00 0.00 C ATOM 906 C PHE A 63 -12.370 0.494 -2.472 1.00 0.00 C ATOM 907 O PHE A 63 -13.422 1.022 -2.169 1.00 0.00 O ATOM 908 CB PHE A 63 -11.188 2.408 -1.404 1.00 0.00 C ATOM 909 CG PHE A 63 -9.925 2.856 -0.707 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.732 2.561 0.648 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.950 3.569 -1.414 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.563 2.980 1.294 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.781 3.988 -0.767 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.588 3.693 0.588 1.00 0.00 C ATOM 0 H PHE A 63 -10.072 1.321 -3.693 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.838 0.316 -0.974 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -11.377 3.038 -2.274 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -12.042 2.522 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.484 2.011 1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.099 3.796 -2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.413 2.753 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.029 4.538 -1.313 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.687 4.016 1.088 1.00 0.00 H new ATOM 924 N LYS A 64 -12.333 -0.469 -3.351 1.00 0.00 N ATOM 925 CA LYS A 64 -13.602 -0.927 -3.987 1.00 0.00 C ATOM 926 C LYS A 64 -13.470 -2.377 -4.455 1.00 0.00 C ATOM 927 O LYS A 64 -14.388 -3.163 -4.324 1.00 0.00 O ATOM 928 CB LYS A 64 -13.924 -0.036 -5.189 1.00 0.00 C ATOM 929 CG LYS A 64 -15.291 0.623 -4.986 1.00 0.00 C ATOM 930 CD LYS A 64 -16.394 -0.402 -5.251 1.00 0.00 C ATOM 931 CE LYS A 64 -17.749 0.189 -4.860 1.00 0.00 C ATOM 932 NZ LYS A 64 -18.184 -0.384 -3.554 1.00 0.00 N ATOM 0 H LYS A 64 -11.489 -0.955 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.405 -0.862 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.155 0.727 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.927 -0.629 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.374 1.008 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.400 1.473 -5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.399 -0.682 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.204 -1.311 -4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.677 1.274 -4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.489 -0.030 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.106 0.018 -3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.268 -1.417 -3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.482 -0.153 -2.822 1.00 0.00 H new ATOM 946 N ASP A 65 -12.348 -2.741 -5.012 1.00 0.00 N ATOM 947 CA ASP A 65 -12.192 -4.141 -5.495 1.00 0.00 C ATOM 948 C ASP A 65 -10.840 -4.718 -5.068 1.00 0.00 C ATOM 949 O ASP A 65 -10.475 -5.801 -5.480 1.00 0.00 O ATOM 950 CB ASP A 65 -12.290 -4.164 -7.020 1.00 0.00 C ATOM 951 CG ASP A 65 -13.723 -4.500 -7.436 1.00 0.00 C ATOM 952 OD1 ASP A 65 -14.521 -3.583 -7.532 1.00 0.00 O ATOM 953 OD2 ASP A 65 -13.999 -5.669 -7.649 1.00 0.00 O ATOM 0 H ASP A 65 -11.539 -2.136 -5.153 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.984 -4.749 -5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.999 -3.196 -7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.599 -4.902 -7.428 1.00 0.00 H new ATOM 958 N VAL A 66 -10.091 -4.030 -4.244 1.00 0.00 N ATOM 959 CA VAL A 66 -8.785 -4.587 -3.817 1.00 0.00 C ATOM 960 C VAL A 66 -8.850 -4.877 -2.326 1.00 0.00 C ATOM 961 O VAL A 66 -8.238 -5.796 -1.821 1.00 0.00 O ATOM 962 CB VAL A 66 -7.684 -3.565 -4.067 1.00 0.00 C ATOM 963 CG1 VAL A 66 -6.338 -4.112 -3.602 1.00 0.00 C ATOM 964 CG2 VAL A 66 -7.590 -3.259 -5.551 1.00 0.00 C ATOM 0 H VAL A 66 -10.329 -3.117 -3.855 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.572 -5.497 -4.379 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.926 -2.659 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.561 -3.371 -3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.383 -4.332 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.107 -5.025 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.800 -2.527 -5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.362 -4.174 -6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.540 -2.856 -5.900 1.00 0.00 H new ATOM 974 N ALA A 67 -9.569 -4.070 -1.614 1.00 0.00 N ATOM 975 CA ALA A 67 -9.661 -4.258 -0.154 1.00 0.00 C ATOM 976 C ALA A 67 -10.976 -3.642 0.353 1.00 0.00 C ATOM 977 O ALA A 67 -11.060 -2.440 0.512 1.00 0.00 O ATOM 978 CB ALA A 67 -8.469 -3.542 0.479 1.00 0.00 C ATOM 0 H ALA A 67 -10.101 -3.282 -1.985 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.648 -5.316 0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.506 -3.661 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.542 -3.972 0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.507 -2.482 0.229 1.00 0.00 H new ATOM 984 N PRO A 68 -11.975 -4.472 0.589 1.00 0.00 N ATOM 985 CA PRO A 68 -13.287 -3.997 1.069 1.00 0.00 C ATOM 986 C PRO A 68 -13.220 -3.613 2.554 1.00 0.00 C ATOM 987 O PRO A 68 -14.193 -3.170 3.131 1.00 0.00 O ATOM 988 CB PRO A 68 -14.213 -5.196 0.847 1.00 0.00 C ATOM 989 CG PRO A 68 -13.304 -6.444 0.787 1.00 0.00 C ATOM 990 CD PRO A 68 -11.896 -5.942 0.414 1.00 0.00 C ATOM 0 HA PRO A 68 -13.630 -3.103 0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.938 -5.282 1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.779 -5.083 -0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.290 -6.960 1.747 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.671 -7.156 0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.134 -6.379 1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.637 -6.208 -0.611 1.00 0.00 H new ATOM 998 N CYS A 69 -12.081 -3.772 3.172 1.00 0.00 N ATOM 999 CA CYS A 69 -11.951 -3.411 4.610 1.00 0.00 C ATOM 1000 C CYS A 69 -11.342 -2.008 4.723 1.00 0.00 C ATOM 1001 O CYS A 69 -11.524 -1.313 5.702 1.00 0.00 O ATOM 1002 CB CYS A 69 -11.018 -4.420 5.289 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.356 -4.284 4.574 1.00 0.00 S ATOM 0 H CYS A 69 -11.233 -4.138 2.740 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.930 -3.426 5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.980 -4.232 6.362 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.401 -5.432 5.156 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.564 -5.138 5.151 1.00 0.00 H new ATOM 1008 N THR A 70 -10.604 -1.605 3.725 1.00 0.00 N ATOM 1009 CA THR A 70 -9.956 -0.268 3.757 1.00 0.00 C ATOM 1010 C THR A 70 -11.015 0.833 3.700 1.00 0.00 C ATOM 1011 O THR A 70 -10.719 1.989 3.908 1.00 0.00 O ATOM 1012 CB THR A 70 -9.010 -0.147 2.557 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.732 -0.353 1.346 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.913 -1.205 2.678 1.00 0.00 C ATOM 0 H THR A 70 -10.422 -2.151 2.883 1.00 0.00 H new ATOM 0 HA THR A 70 -9.393 -0.157 4.684 1.00 0.00 H new ATOM 0 HB THR A 70 -8.568 0.849 2.544 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.627 0.430 0.765 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.236 -1.126 1.828 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.356 -1.048 3.602 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.364 -2.197 2.691 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.245 0.489 3.422 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.310 1.529 3.359 1.00 0.00 C ATOM 1024 C ASP A 71 -13.880 1.768 4.762 1.00 0.00 C ATOM 1025 O ASP A 71 -15.037 1.504 5.025 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.429 1.056 2.429 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.145 1.536 1.004 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -13.846 2.708 0.842 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -14.231 0.723 0.098 1.00 0.00 O ATOM 0 H ASP A 71 -12.556 -0.465 3.237 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.886 2.458 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.499 -0.032 2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.389 1.444 2.770 1.00 0.00 H new ATOM 1034 N SER A 72 -13.077 2.266 5.664 1.00 0.00 N ATOM 1035 CA SER A 72 -13.568 2.524 7.045 1.00 0.00 C ATOM 1036 C SER A 72 -12.840 3.750 7.619 1.00 0.00 C ATOM 1037 O SER A 72 -11.914 4.252 7.004 1.00 0.00 O ATOM 1038 CB SER A 72 -13.284 1.306 7.925 1.00 0.00 C ATOM 1039 OG SER A 72 -14.515 0.777 8.404 1.00 0.00 O ATOM 0 H SER A 72 -12.099 2.505 5.501 1.00 0.00 H new ATOM 0 HA SER A 72 -14.642 2.711 7.022 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.746 0.548 7.355 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.646 1.588 8.762 1.00 0.00 H new ATOM 0 HG SER A 72 -14.338 -0.005 8.967 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.278 4.198 8.784 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.681 5.367 9.460 1.00 0.00 C ATOM 1047 C PRO A 73 -11.353 4.981 10.115 1.00 0.00 C ATOM 1048 O PRO A 73 -11.269 4.769 11.309 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.725 5.752 10.512 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.574 4.486 10.770 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.400 3.583 9.534 1.00 0.00 C ATOM 0 HA PRO A 73 -12.455 6.188 8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.244 6.091 11.430 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.349 6.572 10.157 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.243 3.974 11.674 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.623 4.745 10.916 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.171 2.557 9.821 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.309 3.551 8.934 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.317 4.886 9.331 1.00 0.00 N ATOM 1060 CA GLU A 74 -8.976 4.510 9.865 1.00 0.00 C ATOM 1061 C GLU A 74 -8.067 4.231 8.674 1.00 0.00 C ATOM 1062 O GLU A 74 -6.894 4.548 8.673 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.095 3.250 10.722 1.00 0.00 C ATOM 1064 CG GLU A 74 -8.624 3.549 12.147 1.00 0.00 C ATOM 1065 CD GLU A 74 -8.508 2.240 12.932 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -9.503 1.544 13.035 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -7.423 1.956 13.414 1.00 0.00 O ATOM 0 H GLU A 74 -10.342 5.056 8.326 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.571 5.313 10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.129 2.904 10.735 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.496 2.448 10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.660 4.058 12.124 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.327 4.220 12.640 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.624 3.659 7.648 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.840 3.373 6.421 1.00 0.00 C ATOM 1076 C PHE A 75 -8.240 4.413 5.374 1.00 0.00 C ATOM 1077 O PHE A 75 -7.475 5.296 5.028 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.180 1.971 5.914 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.946 1.335 5.327 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.452 1.781 4.099 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.299 0.298 6.009 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.309 1.191 3.548 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.155 -0.293 5.459 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.660 0.153 4.227 1.00 0.00 C ATOM 0 H PHE A 75 -9.603 3.374 7.608 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.770 3.419 6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.563 1.360 6.732 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.967 2.026 5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.952 2.582 3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.682 -0.046 6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.927 1.537 2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.654 -1.093 5.985 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.779 -0.303 3.801 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.456 4.347 4.899 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.907 5.360 3.913 1.00 0.00 C ATOM 1096 C TYR A 76 -10.181 6.663 4.657 1.00 0.00 C ATOM 1097 O TYR A 76 -10.191 7.720 4.078 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.179 4.894 3.202 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.384 5.727 1.958 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.373 5.800 0.990 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.581 6.427 1.774 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.560 6.573 -0.162 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.769 7.200 0.622 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.759 7.274 -0.345 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.943 8.036 -1.479 1.00 0.00 O ATOM 0 H TYR A 76 -10.147 3.641 5.151 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.133 5.506 3.160 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.098 3.839 2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.038 4.992 3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.449 5.259 1.133 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.360 6.371 2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.781 6.629 -0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.694 7.740 0.479 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.828 8.456 -1.451 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.396 6.593 5.947 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.644 7.833 6.736 1.00 0.00 C ATOM 1117 C GLY A 77 -9.410 8.725 6.667 1.00 0.00 C ATOM 1118 O GLY A 77 -9.468 9.857 6.227 1.00 0.00 O ATOM 0 H GLY A 77 -10.410 5.728 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.512 8.362 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.868 7.580 7.772 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.291 8.222 7.110 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.044 9.038 7.083 1.00 0.00 C ATOM 1124 C LYS A 78 -6.628 9.304 5.639 1.00 0.00 C ATOM 1125 O LYS A 78 -5.809 10.154 5.365 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.935 8.300 7.839 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.511 7.636 9.105 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.560 8.548 9.766 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.456 8.436 11.287 1.00 0.00 C ATOM 1130 NZ LYS A 78 -8.732 8.895 11.904 1.00 0.00 N ATOM 0 H LYS A 78 -8.186 7.281 7.490 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.223 9.996 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.485 7.544 7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.144 8.998 8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.965 6.679 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.707 7.427 9.810 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.404 9.581 9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.560 8.265 9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.251 7.405 11.574 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.625 9.040 11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.664 8.820 12.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.909 9.885 11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.515 8.301 11.565 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.196 8.591 4.716 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.869 8.799 3.291 1.00 0.00 C ATOM 1146 C PHE A 79 -7.701 9.955 2.754 1.00 0.00 C ATOM 1147 O PHE A 79 -7.253 10.714 1.936 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.217 7.521 2.545 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.131 7.695 1.037 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.188 8.301 0.344 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -6.017 7.215 0.326 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -8.136 8.422 -1.052 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.970 7.344 -1.064 1.00 0.00 C ATOM 1154 CZ PHE A 79 -7.025 7.941 -1.752 1.00 0.00 C ATOM 0 H PHE A 79 -7.885 7.860 4.895 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.813 9.034 3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.541 6.725 2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.225 7.207 2.816 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.044 8.675 0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.199 6.747 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.952 8.886 -1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.112 6.979 -1.609 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.984 8.032 -2.827 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.906 10.099 3.215 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.754 11.204 2.730 1.00 0.00 C ATOM 1166 C LYS A 80 -9.316 12.503 3.396 1.00 0.00 C ATOM 1167 O LYS A 80 -9.702 13.581 2.990 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.212 10.914 3.080 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.937 10.370 1.849 1.00 0.00 C ATOM 1170 CD LYS A 80 -12.820 11.467 1.252 1.00 0.00 C ATOM 1171 CE LYS A 80 -14.292 11.115 1.471 1.00 0.00 C ATOM 1172 NZ LYS A 80 -14.960 10.928 0.152 1.00 0.00 N ATOM 0 H LYS A 80 -9.339 9.493 3.911 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.654 11.298 1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.264 10.191 3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.700 11.824 3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.213 10.028 1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.545 9.508 2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.592 12.426 1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.615 11.573 0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.375 10.205 2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.787 11.908 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.961 10.689 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.892 11.807 -0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.493 10.157 -0.367 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.495 12.413 4.404 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.021 13.662 5.071 1.00 0.00 C ATOM 1188 C GLU A 81 -6.653 14.002 4.503 1.00 0.00 C ATOM 1189 O GLU A 81 -6.354 15.137 4.192 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.939 13.475 6.589 1.00 0.00 C ATOM 1191 CG GLU A 81 -6.902 12.411 6.930 1.00 0.00 C ATOM 1192 CD GLU A 81 -6.873 12.199 8.446 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -7.899 12.408 9.072 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -5.826 11.833 8.953 1.00 0.00 O ATOM 0 H GLU A 81 -8.134 11.542 4.793 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.724 14.474 4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.674 14.419 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.913 13.183 6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.144 11.476 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.918 12.719 6.576 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.832 13.007 4.339 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.486 13.238 3.755 1.00 0.00 C ATOM 1203 C GLY A 82 -4.680 13.786 2.345 1.00 0.00 C ATOM 1204 O GLY A 82 -3.962 14.654 1.894 1.00 0.00 O ATOM 0 H GLY A 82 -6.036 12.039 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.920 13.943 4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.916 12.309 3.729 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.658 13.274 1.651 1.00 0.00 N ATOM 1209 CA VAL A 83 -5.934 13.746 0.264 1.00 0.00 C ATOM 1210 C VAL A 83 -6.379 15.213 0.287 1.00 0.00 C ATOM 1211 O VAL A 83 -6.014 15.994 -0.570 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.054 12.890 -0.338 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.424 13.409 -1.728 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.582 11.442 -0.453 1.00 0.00 C ATOM 0 H VAL A 83 -6.284 12.542 1.988 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.028 13.657 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.928 12.945 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.220 12.793 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.765 14.441 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.550 13.363 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.378 10.833 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.704 11.396 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.327 11.063 0.537 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.184 15.587 1.243 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.675 16.997 1.299 1.00 0.00 C ATOM 1226 C ALA A 84 -6.767 17.864 2.179 1.00 0.00 C ATOM 1227 O ALA A 84 -7.013 19.041 2.355 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.087 17.008 1.880 1.00 0.00 C ATOM 0 H ALA A 84 -7.524 14.979 1.988 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.671 17.406 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.454 18.033 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.746 16.414 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.071 16.584 2.884 1.00 0.00 H new ATOM 1234 N SER A 85 -5.730 17.307 2.737 1.00 0.00 N ATOM 1235 CA SER A 85 -4.832 18.124 3.603 1.00 0.00 C ATOM 1236 C SER A 85 -3.486 18.339 2.906 1.00 0.00 C ATOM 1237 O SER A 85 -2.742 19.239 3.241 1.00 0.00 O ATOM 1238 CB SER A 85 -4.607 17.401 4.932 1.00 0.00 C ATOM 1239 OG SER A 85 -4.189 18.343 5.912 1.00 0.00 O ATOM 0 H SER A 85 -5.465 16.328 2.633 1.00 0.00 H new ATOM 0 HA SER A 85 -5.298 19.092 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.525 16.909 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.853 16.623 4.813 1.00 0.00 H new ATOM 0 HG SER A 85 -4.045 17.884 6.766 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.165 17.521 1.941 1.00 0.00 N ATOM 1246 CA GLY A 86 -1.865 17.685 1.232 1.00 0.00 C ATOM 1247 C GLY A 86 -0.736 17.091 2.081 1.00 0.00 C ATOM 1248 O GLY A 86 0.428 17.340 1.839 1.00 0.00 O ATOM 0 H GLY A 86 -3.745 16.748 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.903 17.189 0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.674 18.741 1.043 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.068 16.311 3.076 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.012 15.710 3.937 1.00 0.00 C ATOM 1254 C ASN A 87 -0.442 14.305 4.356 1.00 0.00 C ATOM 1255 O ASN A 87 -0.566 14.005 5.526 1.00 0.00 O ATOM 1256 CB ASN A 87 0.184 16.576 5.183 1.00 0.00 C ATOM 1257 CG ASN A 87 0.518 18.009 4.764 1.00 0.00 C ATOM 1258 OD1 ASN A 87 1.343 18.225 3.899 1.00 0.00 O ATOM 1259 ND2 ASN A 87 -0.090 19.005 5.347 1.00 0.00 N ATOM 0 H ASN A 87 -2.025 16.065 3.328 1.00 0.00 H new ATOM 0 HA ASN A 87 0.925 15.656 3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.720 16.566 5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.987 16.170 5.798 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.127 19.964 5.076 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.783 18.825 6.073 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.673 13.442 3.406 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.100 12.057 3.748 1.00 0.00 C ATOM 1268 C LEU A 88 0.054 11.315 4.424 1.00 0.00 C ATOM 1269 O LEU A 88 1.068 11.043 3.818 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.504 11.319 2.470 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.667 10.372 2.777 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.844 10.678 1.847 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -2.215 8.926 2.565 1.00 0.00 C ATOM 0 H LEU A 88 -0.585 13.636 2.409 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.950 12.098 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.796 12.034 1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.656 10.757 2.078 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.980 10.511 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.669 10.001 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.168 11.708 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.534 10.543 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.042 8.251 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.900 8.791 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.380 8.704 3.230 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.097 10.987 5.677 1.00 0.00 N ATOM 1286 CA ASN A 89 0.983 10.255 6.401 1.00 0.00 C ATOM 1287 C ASN A 89 0.387 9.597 7.646 1.00 0.00 C ATOM 1288 O ASN A 89 0.509 10.103 8.744 1.00 0.00 O ATOM 1289 CB ASN A 89 2.094 11.230 6.814 1.00 0.00 C ATOM 1290 CG ASN A 89 1.477 12.531 7.336 1.00 0.00 C ATOM 1291 OD1 ASN A 89 0.412 12.520 7.921 1.00 0.00 O ATOM 1292 ND2 ASN A 89 2.106 13.659 7.146 1.00 0.00 N ATOM 0 H ASN A 89 -0.926 11.195 6.234 1.00 0.00 H new ATOM 0 HA ASN A 89 1.409 9.494 5.747 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.718 10.778 7.585 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.741 11.440 5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.704 14.531 7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.000 13.668 6.655 1.00 0.00 H new ATOM 1299 N THR A 90 -0.270 8.478 7.489 1.00 0.00 N ATOM 1300 CA THR A 90 -0.880 7.808 8.674 1.00 0.00 C ATOM 1301 C THR A 90 -0.310 6.396 8.834 1.00 0.00 C ATOM 1302 O THR A 90 0.344 5.871 7.955 1.00 0.00 O ATOM 1303 CB THR A 90 -2.397 7.726 8.490 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.960 6.974 9.556 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.716 7.044 7.160 1.00 0.00 C ATOM 0 H THR A 90 -0.410 8.002 6.598 1.00 0.00 H new ATOM 0 HA THR A 90 -0.648 8.389 9.567 1.00 0.00 H new ATOM 0 HB THR A 90 -2.818 8.731 8.490 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.769 6.518 9.243 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.797 6.986 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.283 7.620 6.342 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.296 6.038 7.157 1.00 0.00 H new ATOM 1313 N MET A 91 -0.561 5.779 9.958 1.00 0.00 N ATOM 1314 CA MET A 91 -0.046 4.401 10.197 1.00 0.00 C ATOM 1315 C MET A 91 -0.943 3.698 11.218 1.00 0.00 C ATOM 1316 O MET A 91 -1.584 4.330 12.034 1.00 0.00 O ATOM 1317 CB MET A 91 1.383 4.480 10.741 1.00 0.00 C ATOM 1318 CG MET A 91 2.104 3.154 10.492 1.00 0.00 C ATOM 1319 SD MET A 91 3.525 3.021 11.606 1.00 0.00 S ATOM 1320 CE MET A 91 3.433 1.233 11.879 1.00 0.00 C ATOM 0 H MET A 91 -1.105 6.174 10.725 1.00 0.00 H new ATOM 0 HA MET A 91 -0.048 3.841 9.262 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.922 5.294 10.257 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.364 4.700 11.808 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.421 2.320 10.655 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.435 3.097 9.455 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.234 0.926 12.552 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.470 0.982 12.323 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.540 0.714 10.927 1.00 0.00 H new ATOM 1330 N PHE A 92 -0.991 2.396 11.184 1.00 0.00 N ATOM 1331 CA PHE A 92 -1.845 1.657 12.160 1.00 0.00 C ATOM 1332 C PHE A 92 -1.670 0.150 11.967 1.00 0.00 C ATOM 1333 O PHE A 92 -0.959 -0.299 11.092 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.319 2.025 11.953 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.657 2.008 10.480 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -3.504 3.167 9.718 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.134 0.836 9.879 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -3.822 3.158 8.355 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.454 0.825 8.515 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.299 1.986 7.753 1.00 0.00 C ATOM 0 H PHE A 92 -0.478 1.811 10.525 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.542 1.933 13.170 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.956 1.321 12.488 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.517 3.013 12.368 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.140 4.072 10.181 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.255 -0.061 10.468 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.700 4.055 7.767 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.820 -0.080 8.053 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.546 1.980 6.702 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.322 -0.638 12.773 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.204 -2.114 12.623 1.00 0.00 C ATOM 1352 C GLU A 93 -3.476 -2.631 11.961 1.00 0.00 C ATOM 1353 O GLU A 93 -4.502 -2.784 12.594 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.036 -2.762 13.999 1.00 0.00 C ATOM 1355 CG GLU A 93 -0.870 -3.751 13.959 1.00 0.00 C ATOM 1356 CD GLU A 93 -1.160 -4.921 14.901 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -1.330 -4.676 16.084 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -1.206 -6.043 14.423 1.00 0.00 O ATOM 0 H GLU A 93 -2.931 -0.325 13.529 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.336 -2.361 12.012 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.852 -1.997 14.753 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.953 -3.277 14.285 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.724 -4.116 12.942 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.053 -3.253 14.254 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.425 -2.883 10.685 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.639 -3.367 9.980 1.00 0.00 C ATOM 1367 C TYR A 94 -4.551 -4.875 9.761 1.00 0.00 C ATOM 1368 O TYR A 94 -3.480 -5.437 9.643 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.751 -2.663 8.630 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.159 -2.158 8.440 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.675 -1.179 9.297 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -6.948 -2.667 7.404 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -7.981 -0.708 9.117 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.253 -2.197 7.223 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.771 -1.219 8.078 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.059 -0.757 7.898 1.00 0.00 O ATOM 0 H TYR A 94 -2.596 -2.775 10.101 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.518 -3.147 10.586 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.046 -1.833 8.581 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.489 -3.351 7.826 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.065 -0.787 10.098 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.550 -3.423 6.743 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.379 0.048 9.778 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.861 -2.590 6.422 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.467 -1.215 7.133 1.00 0.00 H new ATOM 1386 N THR A 95 -5.674 -5.529 9.697 1.00 0.00 N ATOM 1387 CA THR A 95 -5.674 -6.997 9.474 1.00 0.00 C ATOM 1388 C THR A 95 -6.415 -7.295 8.171 1.00 0.00 C ATOM 1389 O THR A 95 -7.613 -7.118 8.074 1.00 0.00 O ATOM 1390 CB THR A 95 -6.385 -7.691 10.638 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.685 -7.421 11.846 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.420 -9.199 10.392 1.00 0.00 C ATOM 0 H THR A 95 -6.598 -5.106 9.790 1.00 0.00 H new ATOM 0 HA THR A 95 -4.650 -7.364 9.411 1.00 0.00 H new ATOM 0 HB THR A 95 -7.405 -7.316 10.717 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.279 -7.575 12.610 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.927 -9.691 11.222 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.957 -9.404 9.466 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.401 -9.578 10.312 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.713 -7.736 7.166 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.384 -8.033 5.869 1.00 0.00 C ATOM 1402 C PHE A 96 -7.079 -9.394 5.956 1.00 0.00 C ATOM 1403 O PHE A 96 -6.447 -10.421 6.106 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.345 -8.055 4.738 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.750 -6.670 4.502 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.305 -5.523 5.098 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.628 -6.541 3.668 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -4.742 -4.263 4.860 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.067 -5.279 3.434 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.622 -4.140 4.029 1.00 0.00 C ATOM 0 H PHE A 96 -4.707 -7.904 7.185 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.123 -7.260 5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.549 -8.757 4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.811 -8.414 3.820 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.168 -5.614 5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.197 -7.417 3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.172 -3.385 5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.203 -5.184 2.792 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.187 -3.168 3.847 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.381 -9.403 5.857 1.00 0.00 N ATOM 1421 CA ASP A 97 -9.136 -10.684 5.927 1.00 0.00 C ATOM 1422 C ASP A 97 -10.224 -10.663 4.855 1.00 0.00 C ATOM 1423 O ASP A 97 -11.371 -10.976 5.106 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.779 -10.824 7.308 1.00 0.00 C ATOM 1425 CG ASP A 97 -9.888 -12.305 7.676 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -8.991 -13.051 7.321 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -10.867 -12.667 8.308 1.00 0.00 O ATOM 0 H ASP A 97 -8.957 -8.571 5.730 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.464 -11.526 5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.183 -10.297 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.768 -10.365 7.308 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.868 -10.267 3.664 1.00 0.00 N ATOM 1433 CA TYR A 98 -10.868 -10.187 2.556 1.00 0.00 C ATOM 1434 C TYR A 98 -11.040 -11.542 1.846 1.00 0.00 C ATOM 1435 O TYR A 98 -11.105 -11.599 0.640 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.421 -9.098 1.562 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.414 -9.629 0.552 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -8.308 -10.393 0.963 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -9.597 -9.345 -0.801 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -7.393 -10.870 0.011 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -8.689 -9.824 -1.748 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.589 -10.585 -1.346 1.00 0.00 C ATOM 1443 OH TYR A 98 -6.701 -11.056 -2.289 1.00 0.00 O ATOM 0 H TYR A 98 -8.920 -9.993 3.407 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.840 -9.927 2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.292 -8.708 1.035 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.980 -8.265 2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.162 -10.613 2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.443 -8.753 -1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.541 -11.455 0.324 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -8.838 -9.605 -2.795 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.800 -11.085 -1.904 1.00 0.00 H new ATOM 1453 N GLN A 99 -11.129 -12.603 2.606 1.00 0.00 N ATOM 1454 CA GLN A 99 -11.314 -14.003 2.063 1.00 0.00 C ATOM 1455 C GLN A 99 -9.965 -14.733 2.075 1.00 0.00 C ATOM 1456 O GLN A 99 -9.721 -15.632 1.296 1.00 0.00 O ATOM 1457 CB GLN A 99 -11.956 -14.012 0.646 1.00 0.00 C ATOM 1458 CG GLN A 99 -10.892 -13.977 -0.470 1.00 0.00 C ATOM 1459 CD GLN A 99 -11.537 -13.525 -1.785 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -11.321 -14.130 -2.817 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -12.323 -12.482 -1.798 1.00 0.00 N ATOM 0 H GLN A 99 -11.080 -12.564 3.624 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.015 -14.531 2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.571 -14.904 0.532 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.618 -13.153 0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.086 -13.296 -0.196 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.447 -14.964 -0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.507 -11.971 -0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.753 -12.178 -2.672 1.00 0.00 H new ATOM 1470 N MET A 100 -9.098 -14.361 2.972 1.00 0.00 N ATOM 1471 CA MET A 100 -7.777 -15.032 3.062 1.00 0.00 C ATOM 1472 C MET A 100 -7.441 -15.219 4.538 1.00 0.00 C ATOM 1473 O MET A 100 -8.162 -14.762 5.403 1.00 0.00 O ATOM 1474 CB MET A 100 -6.707 -14.163 2.395 1.00 0.00 C ATOM 1475 CG MET A 100 -5.552 -15.051 1.919 1.00 0.00 C ATOM 1476 SD MET A 100 -4.023 -14.575 2.766 1.00 0.00 S ATOM 1477 CE MET A 100 -4.105 -12.801 2.415 1.00 0.00 C ATOM 0 H MET A 100 -9.250 -13.615 3.651 1.00 0.00 H new ATOM 0 HA MET A 100 -7.808 -15.996 2.555 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.136 -13.623 1.551 1.00 0.00 H new ATOM 0 HB3 MET A 100 -6.340 -13.416 3.098 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.779 -16.098 2.120 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.427 -14.954 0.841 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.099 -12.417 2.246 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.711 -12.634 1.525 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.554 -12.283 3.262 1.00 0.00 H new ATOM 1487 N THR A 101 -6.361 -15.879 4.844 1.00 0.00 N ATOM 1488 CA THR A 101 -6.006 -16.079 6.276 1.00 0.00 C ATOM 1489 C THR A 101 -5.955 -14.716 6.981 1.00 0.00 C ATOM 1490 O THR A 101 -5.851 -13.698 6.327 1.00 0.00 O ATOM 1491 CB THR A 101 -4.640 -16.764 6.371 1.00 0.00 C ATOM 1492 OG1 THR A 101 -3.718 -16.096 5.520 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.769 -18.226 5.940 1.00 0.00 C ATOM 0 H THR A 101 -5.712 -16.286 4.170 1.00 0.00 H new ATOM 0 HA THR A 101 -6.756 -16.707 6.757 1.00 0.00 H new ATOM 0 HB THR A 101 -4.282 -16.722 7.400 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.842 -16.532 5.580 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.796 -18.713 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.477 -18.737 6.593 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.126 -18.272 4.911 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.033 -14.725 8.294 1.00 0.00 N ATOM 1502 CA PRO A 102 -5.997 -13.482 9.081 1.00 0.00 C ATOM 1503 C PRO A 102 -4.567 -12.946 9.149 1.00 0.00 C ATOM 1504 O PRO A 102 -3.769 -13.375 9.959 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.503 -13.910 10.462 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.268 -15.436 10.559 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.155 -15.954 9.113 1.00 0.00 C ATOM 0 HA PRO A 102 -6.599 -12.680 8.654 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.968 -13.384 11.252 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.560 -13.671 10.580 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.360 -15.654 11.121 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.091 -15.923 11.082 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.288 -16.603 8.989 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.032 -16.536 8.829 1.00 0.00 H new ATOM 1515 N THR A 103 -4.234 -12.021 8.292 1.00 0.00 N ATOM 1516 CA THR A 103 -2.853 -11.467 8.292 1.00 0.00 C ATOM 1517 C THR A 103 -2.853 -10.075 8.927 1.00 0.00 C ATOM 1518 O THR A 103 -3.526 -9.174 8.472 1.00 0.00 O ATOM 1519 CB THR A 103 -2.335 -11.388 6.829 1.00 0.00 C ATOM 1520 OG1 THR A 103 -1.617 -12.578 6.529 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.401 -10.172 6.615 1.00 0.00 C ATOM 0 H THR A 103 -4.860 -11.625 7.591 1.00 0.00 H new ATOM 0 HA THR A 103 -2.197 -12.116 8.873 1.00 0.00 H new ATOM 0 HB THR A 103 -3.196 -11.274 6.171 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.288 -12.538 5.607 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.060 -10.153 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.944 -9.253 6.836 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.540 -10.253 7.279 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.042 -9.879 9.922 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.934 -8.524 10.514 1.00 0.00 C ATOM 1531 C LYS A 104 -0.852 -7.834 9.705 1.00 0.00 C ATOM 1532 O LYS A 104 -0.057 -8.498 9.067 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.495 -8.566 11.991 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.850 -9.907 12.642 1.00 0.00 C ATOM 1535 CD LYS A 104 -3.362 -10.134 12.563 1.00 0.00 C ATOM 1536 CE LYS A 104 -3.960 -10.074 13.971 1.00 0.00 C ATOM 1537 NZ LYS A 104 -4.109 -8.651 14.388 1.00 0.00 N ATOM 0 H LYS A 104 -1.452 -10.594 10.349 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.899 -8.017 10.487 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.420 -8.401 12.057 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.976 -7.755 12.538 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.324 -10.718 12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.525 -9.915 13.682 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.822 -9.377 11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.572 -11.102 12.108 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.929 -10.572 13.987 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.317 -10.604 14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.637 -8.605 15.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.168 -8.227 14.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.626 -8.126 13.654 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.785 -6.538 9.704 1.00 0.00 N ATOM 1552 CA VAL A 105 0.284 -5.884 8.902 1.00 0.00 C ATOM 1553 C VAL A 105 0.596 -4.498 9.440 1.00 0.00 C ATOM 1554 O VAL A 105 -0.280 -3.733 9.800 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.183 -5.735 7.448 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.424 -7.117 6.840 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.482 -4.926 7.401 1.00 0.00 C ATOM 0 H VAL A 105 -1.409 -5.911 10.212 1.00 0.00 H new ATOM 0 HA VAL A 105 1.177 -6.506 8.961 1.00 0.00 H new ATOM 0 HB VAL A 105 0.588 -5.216 6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.756 -7.007 5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.502 -7.692 6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.190 -7.638 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.809 -4.823 6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.252 -5.441 7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.311 -3.938 7.827 1.00 0.00 H new ATOM 1567 N LYS A 106 1.843 -4.147 9.411 1.00 0.00 N ATOM 1568 CA LYS A 106 2.235 -2.783 9.825 1.00 0.00 C ATOM 1569 C LYS A 106 1.901 -1.941 8.614 1.00 0.00 C ATOM 1570 O LYS A 106 2.578 -2.019 7.630 1.00 0.00 O ATOM 1571 CB LYS A 106 3.749 -2.731 10.075 1.00 0.00 C ATOM 1572 CG LYS A 106 4.060 -2.250 11.489 1.00 0.00 C ATOM 1573 CD LYS A 106 4.786 -3.379 12.228 1.00 0.00 C ATOM 1574 CE LYS A 106 5.093 -2.943 13.661 1.00 0.00 C ATOM 1575 NZ LYS A 106 3.903 -3.198 14.521 1.00 0.00 N ATOM 0 H LYS A 106 2.611 -4.750 9.117 1.00 0.00 H new ATOM 0 HA LYS A 106 1.738 -2.453 10.737 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.179 -3.721 9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.217 -2.065 9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.681 -1.355 11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 106 3.141 -1.983 12.011 1.00 0.00 H new ATOM 0 HD2 LYS A 106 4.169 -4.278 12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.710 -3.631 11.708 1.00 0.00 H new ATOM 0 HE2 LYS A 106 5.955 -3.490 14.043 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.352 -1.884 13.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 4.110 -2.902 15.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 3.091 -2.657 14.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 3.676 -4.213 14.508 1.00 0.00 H new ATOM 1589 N VAL A 107 0.836 -1.203 8.630 1.00 0.00 N ATOM 1590 CA VAL A 107 0.477 -0.435 7.405 1.00 0.00 C ATOM 1591 C VAL A 107 1.026 0.986 7.493 1.00 0.00 C ATOM 1592 O VAL A 107 1.160 1.549 8.563 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.048 -0.353 7.295 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.652 -1.741 7.193 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.579 0.345 8.540 1.00 0.00 C ATOM 0 H VAL A 107 0.203 -1.095 9.423 1.00 0.00 H new ATOM 0 HA VAL A 107 0.902 -0.939 6.537 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.320 0.203 6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.736 -1.661 7.116 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.261 -2.244 6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.393 -2.317 8.082 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.665 0.414 8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.298 -0.226 9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.154 1.347 8.605 1.00 0.00 H new ATOM 1605 N HIS A 108 1.302 1.579 6.372 1.00 0.00 N ATOM 1606 CA HIS A 108 1.801 2.980 6.378 1.00 0.00 C ATOM 1607 C HIS A 108 1.430 3.619 5.047 1.00 0.00 C ATOM 1608 O HIS A 108 2.031 3.347 4.038 1.00 0.00 O ATOM 1609 CB HIS A 108 3.318 3.004 6.563 1.00 0.00 C ATOM 1610 CG HIS A 108 3.714 4.325 7.161 1.00 0.00 C ATOM 1611 ND1 HIS A 108 4.887 4.493 7.879 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.097 5.551 7.162 1.00 0.00 C ATOM 1613 CE1 HIS A 108 4.939 5.776 8.279 1.00 0.00 C ATOM 1614 NE2 HIS A 108 3.872 6.466 7.868 1.00 0.00 N ATOM 0 H HIS A 108 1.204 1.156 5.449 1.00 0.00 H new ATOM 0 HA HIS A 108 1.351 3.532 7.203 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.632 2.187 7.213 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.817 2.859 5.605 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.153 5.772 6.687 1.00 0.00 H new ATOM 0 HE1 HIS A 108 5.745 6.197 8.861 1.00 0.00 H new ATOM 0 HE2 HIS A 108 3.669 7.451 8.036 1.00 0.00 H new ATOM 1622 N MET A 109 0.425 4.444 5.028 1.00 0.00 N ATOM 1623 CA MET A 109 0.011 5.065 3.739 1.00 0.00 C ATOM 1624 C MET A 109 0.473 6.524 3.709 1.00 0.00 C ATOM 1625 O MET A 109 0.263 7.252 4.660 1.00 0.00 O ATOM 1626 CB MET A 109 -1.525 5.025 3.595 1.00 0.00 C ATOM 1627 CG MET A 109 -2.139 3.787 4.288 1.00 0.00 C ATOM 1628 SD MET A 109 -3.608 4.300 5.213 1.00 0.00 S ATOM 1629 CE MET A 109 -4.778 4.273 3.835 1.00 0.00 C ATOM 0 H MET A 109 -0.126 4.715 5.842 1.00 0.00 H new ATOM 0 HA MET A 109 0.464 4.509 2.919 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.953 5.931 4.025 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.790 5.017 2.538 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.405 3.033 3.547 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.411 3.331 4.959 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.745 3.912 4.186 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.891 5.280 3.434 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.405 3.611 3.054 1.00 0.00 H new ATOM 1639 N LYS A 110 1.103 6.980 2.643 1.00 0.00 N ATOM 1640 CA LYS A 110 1.544 8.408 2.640 1.00 0.00 C ATOM 1641 C LYS A 110 1.095 9.089 1.345 1.00 0.00 C ATOM 1642 O LYS A 110 0.392 8.512 0.544 1.00 0.00 O ATOM 1643 CB LYS A 110 3.069 8.462 2.758 1.00 0.00 C ATOM 1644 CG LYS A 110 3.492 9.591 3.702 1.00 0.00 C ATOM 1645 CD LYS A 110 5.021 9.646 3.778 1.00 0.00 C ATOM 1646 CE LYS A 110 5.455 9.826 5.234 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.931 9.646 5.337 1.00 0.00 N ATOM 0 H LYS A 110 1.322 6.442 1.805 1.00 0.00 H new ATOM 0 HA LYS A 110 1.095 8.931 3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.445 7.509 3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.511 8.618 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.100 10.544 3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.073 9.426 4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.449 8.730 3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.396 10.470 3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.173 10.817 5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.944 9.102 5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.227 9.768 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.188 8.691 5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.409 10.353 4.743 1.00 0.00 H new ATOM 1661 N LYS A 111 1.492 10.315 1.134 1.00 0.00 N ATOM 1662 CA LYS A 111 1.090 11.026 -0.111 1.00 0.00 C ATOM 1663 C LYS A 111 2.252 10.968 -1.107 1.00 0.00 C ATOM 1664 O LYS A 111 3.225 11.686 -0.987 1.00 0.00 O ATOM 1665 CB LYS A 111 0.749 12.485 0.221 1.00 0.00 C ATOM 1666 CG LYS A 111 0.539 13.284 -1.072 1.00 0.00 C ATOM 1667 CD LYS A 111 -0.402 14.460 -0.803 1.00 0.00 C ATOM 1668 CE LYS A 111 -1.077 14.882 -2.109 1.00 0.00 C ATOM 1669 NZ LYS A 111 -0.866 16.342 -2.328 1.00 0.00 N ATOM 0 H LYS A 111 2.078 10.854 1.771 1.00 0.00 H new ATOM 0 HA LYS A 111 0.212 10.552 -0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -0.152 12.526 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.553 12.931 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.496 13.649 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 111 0.120 12.640 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.155 14.176 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.156 15.297 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -0.665 14.315 -2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.143 14.660 -2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -0.928 16.553 -3.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.596 16.879 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 0.073 16.614 -1.974 1.00 0.00 H new ATOM 1683 N ALA A 112 2.159 10.110 -2.083 1.00 0.00 N ATOM 1684 CA ALA A 112 3.256 9.992 -3.081 1.00 0.00 C ATOM 1685 C ALA A 112 3.526 11.352 -3.727 1.00 0.00 C ATOM 1686 O ALA A 112 2.621 12.118 -3.991 1.00 0.00 O ATOM 1687 CB ALA A 112 2.848 8.990 -4.156 1.00 0.00 C ATOM 0 H ALA A 112 1.368 9.484 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 112 4.163 9.651 -2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.648 8.899 -4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.664 8.019 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.940 9.336 -4.650 1.00 0.00 H new ATOM 1693 N LEU A 113 4.767 11.654 -3.989 1.00 0.00 N ATOM 1694 CA LEU A 113 5.098 12.961 -4.622 1.00 0.00 C ATOM 1695 C LEU A 113 5.222 12.791 -6.143 1.00 0.00 C ATOM 1696 O LEU A 113 5.498 13.735 -6.856 1.00 0.00 O ATOM 1697 CB LEU A 113 6.424 13.476 -4.060 1.00 0.00 C ATOM 1698 CG LEU A 113 6.436 15.003 -4.113 1.00 0.00 C ATOM 1699 CD1 LEU A 113 6.340 15.562 -2.693 1.00 0.00 C ATOM 1700 CD2 LEU A 113 7.739 15.480 -4.760 1.00 0.00 C ATOM 0 H LEU A 113 5.567 11.052 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 113 4.303 13.675 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 113 6.554 13.135 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.257 13.074 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 113 5.588 15.353 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.348 16.651 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.414 15.222 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.189 15.212 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.749 16.569 -4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.587 15.130 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.810 15.081 -5.772 1.00 0.00 H new ATOM 1742 N SER A 117 -0.220 11.734 -5.306 1.00 0.00 N ATOM 1743 CA SER A 117 -0.872 10.396 -5.288 1.00 0.00 C ATOM 1744 C SER A 117 -1.104 9.943 -3.844 1.00 0.00 C ATOM 1745 O SER A 117 -1.097 10.733 -2.922 1.00 0.00 O ATOM 1746 CB SER A 117 0.022 9.384 -6.002 1.00 0.00 C ATOM 1747 OG SER A 117 0.759 10.046 -7.023 1.00 0.00 O ATOM 0 HA SER A 117 -1.833 10.462 -5.799 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.703 8.917 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.584 8.587 -6.433 1.00 0.00 H new ATOM 0 HG SER A 117 0.676 11.016 -6.910 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.321 8.670 -3.651 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.572 8.134 -2.279 1.00 0.00 C ATOM 1755 C TYR A 118 -1.099 6.683 -2.248 1.00 0.00 C ATOM 1756 O TYR A 118 -1.674 5.833 -2.900 1.00 0.00 O ATOM 1757 CB TYR A 118 -3.081 8.184 -1.991 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.637 9.494 -2.461 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.467 10.649 -1.694 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.320 9.547 -3.675 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.986 11.862 -2.148 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.837 10.754 -4.129 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.672 11.918 -3.368 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.185 13.118 -3.820 1.00 0.00 O ATOM 0 H TYR A 118 -1.335 7.970 -4.393 1.00 0.00 H new ATOM 0 HA TYR A 118 -1.041 8.723 -1.531 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.586 7.360 -2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.262 8.062 -0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.937 10.603 -0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.447 8.650 -4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.859 12.758 -1.559 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.366 10.795 -5.069 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.630 12.980 -4.682 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.047 6.381 -1.530 1.00 0.00 N ATOM 1775 CA TRP A 119 0.430 4.975 -1.525 1.00 0.00 C ATOM 1776 C TRP A 119 0.260 4.307 -0.170 1.00 0.00 C ATOM 1777 O TRP A 119 0.274 4.932 0.857 1.00 0.00 O ATOM 1778 CB TRP A 119 1.869 4.892 -2.029 1.00 0.00 C ATOM 1779 CG TRP A 119 2.806 5.796 -1.303 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.361 6.906 -1.804 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.367 5.618 0.000 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.230 7.437 -0.873 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.273 6.663 0.266 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.161 4.651 0.956 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.972 6.726 1.468 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.858 4.691 2.173 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.768 5.729 2.427 1.00 0.00 C ATOM 0 H TRP A 119 0.489 7.035 -0.960 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.200 4.414 -2.215 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.220 3.865 -1.933 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.889 5.138 -3.091 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.161 7.320 -2.781 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.770 8.291 -1.010 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.457 3.854 0.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.663 7.534 1.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.694 3.923 2.914 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.309 5.758 3.361 1.00 0.00 H new ATOM 1798 N VAL A 120 0.057 3.016 -0.192 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.155 2.253 1.066 1.00 0.00 C ATOM 1800 C VAL A 120 0.799 1.061 1.113 1.00 0.00 C ATOM 1801 O VAL A 120 0.610 0.074 0.431 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.592 1.729 1.113 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.821 1.019 2.447 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.570 2.898 0.978 1.00 0.00 C ATOM 0 H VAL A 120 0.029 2.453 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 120 0.031 2.912 1.914 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.755 1.030 0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.843 0.643 2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.124 0.186 2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.660 1.721 3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.593 2.523 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.414 3.600 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.401 3.406 0.028 1.00 0.00 H new ATOM 1814 N PHE A 121 1.810 1.135 1.926 1.00 0.00 N ATOM 1815 CA PHE A 121 2.758 -0.004 2.032 1.00 0.00 C ATOM 1816 C PHE A 121 2.282 -0.918 3.146 1.00 0.00 C ATOM 1817 O PHE A 121 2.026 -0.483 4.252 1.00 0.00 O ATOM 1818 CB PHE A 121 4.173 0.506 2.356 1.00 0.00 C ATOM 1819 CG PHE A 121 4.596 1.573 1.368 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.925 1.728 0.146 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.665 2.411 1.685 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.322 2.722 -0.751 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.059 3.410 0.790 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.386 3.567 -0.426 1.00 0.00 C ATOM 0 H PHE A 121 2.022 1.935 2.522 1.00 0.00 H new ATOM 0 HA PHE A 121 2.793 -0.542 1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.196 0.910 3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.879 -0.324 2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.099 1.077 -0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.188 2.288 2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.808 2.837 -1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.884 4.061 1.038 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.689 4.342 -1.114 1.00 0.00 H new ATOM 1834 N VAL A 122 2.153 -2.180 2.872 1.00 0.00 N ATOM 1835 CA VAL A 122 1.696 -3.101 3.930 1.00 0.00 C ATOM 1836 C VAL A 122 2.882 -3.923 4.403 1.00 0.00 C ATOM 1837 O VAL A 122 3.596 -4.518 3.631 1.00 0.00 O ATOM 1838 CB VAL A 122 0.553 -3.990 3.390 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.579 -5.400 4.003 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.777 -3.335 3.743 1.00 0.00 C ATOM 0 H VAL A 122 2.344 -2.608 1.966 1.00 0.00 H new ATOM 0 HA VAL A 122 1.300 -2.546 4.781 1.00 0.00 H new ATOM 0 HB VAL A 122 0.681 -4.087 2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.242 -5.989 3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.526 -5.883 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.471 -5.328 5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.596 -3.950 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.860 -3.240 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.828 -2.346 3.287 1.00 0.00 H new ATOM 1850 N LYS A 123 3.065 -3.952 5.679 1.00 0.00 N ATOM 1851 CA LYS A 123 4.182 -4.723 6.274 1.00 0.00 C ATOM 1852 C LYS A 123 3.612 -6.027 6.816 1.00 0.00 C ATOM 1853 O LYS A 123 2.455 -6.097 7.169 1.00 0.00 O ATOM 1854 CB LYS A 123 4.773 -3.912 7.424 1.00 0.00 C ATOM 1855 CG LYS A 123 6.301 -4.017 7.449 1.00 0.00 C ATOM 1856 CD LYS A 123 6.890 -2.612 7.329 1.00 0.00 C ATOM 1857 CE LYS A 123 8.350 -2.668 6.865 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.055 -3.797 7.540 1.00 0.00 N ATOM 0 H LYS A 123 2.477 -3.464 6.355 1.00 0.00 H new ATOM 0 HA LYS A 123 4.956 -4.927 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.479 -2.867 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.366 -4.268 8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.632 -4.488 8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.650 -4.645 6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.302 -2.026 6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.830 -2.105 8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.392 -2.796 5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.850 -1.727 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.083 -3.655 7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.777 -3.831 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.797 -4.693 7.079 1.00 0.00 H new ATOM 1872 N ARG A 124 4.394 -7.061 6.901 1.00 0.00 N ATOM 1873 CA ARG A 124 3.829 -8.331 7.437 1.00 0.00 C ATOM 1874 C ARG A 124 4.266 -8.497 8.892 1.00 0.00 C ATOM 1875 O ARG A 124 5.428 -8.395 9.227 1.00 0.00 O ATOM 1876 CB ARG A 124 4.288 -9.520 6.579 1.00 0.00 C ATOM 1877 CG ARG A 124 3.834 -10.831 7.224 1.00 0.00 C ATOM 1878 CD ARG A 124 3.283 -11.766 6.147 1.00 0.00 C ATOM 1879 NE ARG A 124 2.674 -12.963 6.792 1.00 0.00 N ATOM 1880 CZ ARG A 124 3.316 -14.099 6.797 1.00 0.00 C ATOM 1881 NH1 ARG A 124 4.597 -14.123 7.044 1.00 0.00 N ATOM 1882 NH2 ARG A 124 2.675 -15.212 6.558 1.00 0.00 N ATOM 0 H ARG A 124 5.377 -7.087 6.631 1.00 0.00 H new ATOM 0 HA ARG A 124 2.740 -8.297 7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.874 -9.436 5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 124 5.373 -9.510 6.479 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.671 -11.304 7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 124 3.069 -10.633 7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.538 -11.246 5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.082 -12.071 5.471 1.00 0.00 H new ATOM 0 HE ARG A 124 1.755 -12.894 7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 124 5.096 -13.254 7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 124 5.099 -15.011 7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.673 -15.193 6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 124 3.176 -16.100 6.562 1.00 0.00 H new ATOM 1896 N VAL A 125 3.319 -8.727 9.758 1.00 0.00 N ATOM 1897 CA VAL A 125 3.635 -8.875 11.209 1.00 0.00 C ATOM 1898 C VAL A 125 3.574 -10.354 11.595 1.00 0.00 C ATOM 1899 O VAL A 125 4.592 -10.879 12.016 1.00 0.00 O ATOM 1900 CB VAL A 125 2.616 -8.086 12.061 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.344 -7.338 13.159 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.868 -7.057 11.216 1.00 0.00 C ATOM 1903 OXT VAL A 125 2.510 -10.937 11.463 1.00 0.00 O ATOM 0 H VAL A 125 2.331 -8.820 9.522 1.00 0.00 H new ATOM 0 HA VAL A 125 4.635 -8.483 11.394 1.00 0.00 H new ATOM 0 HB VAL A 125 1.907 -8.802 12.475 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.624 -6.782 13.759 1.00 0.00 H new ATOM 0 HG12 VAL A 125 3.874 -8.048 13.794 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.059 -6.645 12.715 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.158 -6.518 11.843 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.580 -6.353 10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.331 -7.565 10.415 1.00 0.00 H new