USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 587 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -67:sc= 0.291 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 160:sc= -0.18 USER MOD Single : A 65 ASN :FLIP amide:sc= 0.789 F(o=-0.97,f=0.79) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 165:sc= 0.198 USER MOD ----------------------------------------------------------------- ATOM 69 N GLU A 6 -6.192 -15.200 -2.366 1.00 0.00 N ATOM 70 CA GLU A 6 -6.897 -14.367 -3.458 1.00 0.00 C ATOM 71 C GLU A 6 -6.352 -12.880 -3.547 1.00 0.00 C ATOM 72 O GLU A 6 -6.360 -12.134 -2.530 1.00 0.00 O ATOM 73 CB GLU A 6 -8.547 -14.489 -3.459 1.00 0.00 C ATOM 74 CG GLU A 6 -9.370 -14.184 -2.113 1.00 0.00 C ATOM 75 CD GLU A 6 -10.901 -14.314 -2.257 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.438 -15.431 -2.022 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.566 -13.293 -2.575 1.00 0.00 O ATOM 0 HA GLU A 6 -6.612 -14.836 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.923 -13.816 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.798 -15.503 -3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.032 -14.866 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.133 -13.174 -1.778 1.00 0.00 H new ATOM 84 N TYR A 7 -5.867 -12.497 -4.810 1.00 0.00 N ATOM 85 CA TYR A 7 -5.215 -11.139 -5.157 1.00 0.00 C ATOM 86 C TYR A 7 -6.175 -10.156 -5.946 1.00 0.00 C ATOM 87 O TYR A 7 -7.007 -10.605 -6.806 1.00 0.00 O ATOM 88 CB TYR A 7 -3.821 -11.348 -5.960 1.00 0.00 C ATOM 89 CG TYR A 7 -2.639 -12.150 -5.270 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.596 -13.565 -5.247 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.570 -11.472 -4.705 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.547 -14.245 -4.673 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.494 -12.157 -4.134 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.495 -13.540 -4.116 1.00 0.00 C ATOM 95 OH TYR A 7 0.563 -14.217 -3.555 1.00 0.00 O ATOM 0 H TYR A 7 -5.917 -13.121 -5.616 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.006 -10.658 -4.202 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.056 -11.853 -6.897 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.440 -10.360 -6.217 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.406 -14.124 -5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.569 -10.392 -4.706 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.545 -15.325 -4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.334 -11.609 -3.709 1.00 0.00 H new ATOM 0 HH TYR A 7 1.217 -13.574 -3.210 1.00 0.00 H new ATOM 105 N GLU A 8 -6.028 -8.783 -5.600 1.00 0.00 N ATOM 106 CA GLU A 8 -6.832 -7.600 -6.199 1.00 0.00 C ATOM 107 C GLU A 8 -5.922 -6.497 -6.855 1.00 0.00 C ATOM 108 O GLU A 8 -4.863 -6.101 -6.276 1.00 0.00 O ATOM 109 CB GLU A 8 -7.844 -6.930 -5.154 1.00 0.00 C ATOM 110 CG GLU A 8 -9.330 -7.343 -5.285 1.00 0.00 C ATOM 111 CD GLU A 8 -10.298 -6.585 -4.335 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.539 -7.074 -3.198 1.00 0.00 O ATOM 113 OE2 GLU A 8 -10.837 -5.519 -4.747 1.00 0.00 O ATOM 0 H GLU A 8 -5.351 -8.476 -4.902 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.425 -8.055 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.508 -7.174 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.778 -5.847 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.650 -7.179 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.415 -8.412 -5.091 1.00 0.00 H new ATOM 120 N GLU A 9 -6.363 -6.041 -8.131 1.00 0.00 N ATOM 121 CA GLU A 9 -5.760 -4.889 -8.923 1.00 0.00 C ATOM 122 C GLU A 9 -6.739 -3.632 -8.995 1.00 0.00 C ATOM 123 O GLU A 9 -7.839 -3.699 -9.650 1.00 0.00 O ATOM 124 CB GLU A 9 -5.093 -5.337 -10.354 1.00 0.00 C ATOM 125 CG GLU A 9 -5.993 -6.056 -11.483 1.00 0.00 C ATOM 126 CD GLU A 9 -5.215 -6.457 -12.757 1.00 0.00 C ATOM 127 OE1 GLU A 9 -5.143 -5.629 -13.705 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.706 -7.607 -12.816 1.00 0.00 O ATOM 0 H GLU A 9 -7.147 -6.478 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.896 -4.543 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.665 -4.442 -10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.264 -6.007 -10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.449 -6.948 -11.054 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.806 -5.386 -11.764 1.00 0.00 H new ATOM 135 N ILE A 10 -6.319 -2.513 -8.245 1.00 0.00 N ATOM 136 CA ILE A 10 -7.098 -1.172 -8.124 1.00 0.00 C ATOM 137 C ILE A 10 -6.272 0.006 -8.872 1.00 0.00 C ATOM 138 O ILE A 10 -5.025 0.084 -8.751 1.00 0.00 O ATOM 139 CB ILE A 10 -7.514 -0.811 -6.493 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.395 -1.994 -5.829 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.306 0.596 -6.291 1.00 0.00 C ATOM 142 CD1 ILE A 10 -8.032 -2.378 -4.365 1.00 0.00 C ATOM 0 H ILE A 10 -5.447 -2.511 -7.715 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.057 -1.264 -8.634 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.552 -0.718 -5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.444 -1.698 -5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.299 -2.884 -6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.527 0.741 -5.233 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.685 1.418 -6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.237 0.574 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.687 -3.180 -4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.996 -2.714 -4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.158 -1.509 -3.719 1.00 0.00 H new ATOM 154 N THR A 11 -7.072 0.891 -9.639 1.00 0.00 N ATOM 155 CA THR A 11 -6.582 2.149 -10.351 1.00 0.00 C ATOM 156 C THR A 11 -7.317 3.424 -9.696 1.00 0.00 C ATOM 157 O THR A 11 -8.588 3.541 -9.712 1.00 0.00 O ATOM 158 CB THR A 11 -6.756 2.088 -12.003 1.00 0.00 C ATOM 159 OG1 THR A 11 -6.482 0.755 -12.494 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.740 3.030 -12.751 1.00 0.00 C ATOM 0 H THR A 11 -8.072 0.735 -9.769 1.00 0.00 H new ATOM 0 HA THR A 11 -5.505 2.234 -10.204 1.00 0.00 H new ATOM 0 HB THR A 11 -7.782 2.401 -12.199 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.591 0.736 -13.468 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.896 2.952 -13.827 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.899 4.061 -12.435 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.720 2.730 -12.510 1.00 0.00 H new ATOM 168 N LEU A 12 -6.425 4.336 -9.112 1.00 0.00 N ATOM 169 CA LEU A 12 -6.759 5.654 -8.430 1.00 0.00 C ATOM 170 C LEU A 12 -6.331 6.911 -9.281 1.00 0.00 C ATOM 171 O LEU A 12 -5.307 6.869 -10.037 1.00 0.00 O ATOM 172 CB LEU A 12 -6.078 5.766 -6.933 1.00 0.00 C ATOM 173 CG LEU A 12 -6.696 5.066 -5.636 1.00 0.00 C ATOM 174 CD1 LEU A 12 -5.695 5.175 -4.510 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.036 5.710 -5.158 1.00 0.00 C ATOM 0 H LEU A 12 -5.421 4.157 -9.109 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.845 5.656 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.059 5.392 -7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.007 6.830 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.910 4.032 -5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.100 4.702 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.769 4.676 -4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.492 6.226 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.397 5.184 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.869 6.759 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.779 5.637 -5.953 1.00 0.00 H new ATOM 284 N GLY A 20 -6.248 9.864 0.757 1.00 0.00 N ATOM 285 CA GLY A 20 -7.083 9.640 1.984 1.00 0.00 C ATOM 286 C GLY A 20 -6.760 8.340 2.738 1.00 0.00 C ATOM 287 O GLY A 20 -7.700 7.657 3.212 1.00 0.00 O ATOM 0 HA2 GLY A 20 -6.947 10.483 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.134 9.629 1.697 1.00 0.00 H new ATOM 291 N PHE A 21 -5.367 7.994 2.831 1.00 0.00 N ATOM 292 CA PHE A 21 -4.716 6.833 3.557 1.00 0.00 C ATOM 293 C PHE A 21 -3.184 7.247 3.927 1.00 0.00 C ATOM 294 O PHE A 21 -2.699 8.334 3.443 1.00 0.00 O ATOM 295 CB PHE A 21 -4.823 5.423 2.656 1.00 0.00 C ATOM 296 CG PHE A 21 -4.011 5.224 1.276 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.366 5.887 0.056 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.956 4.310 1.237 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.667 5.623 -1.127 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.256 4.063 0.059 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.614 4.716 -1.118 1.00 0.00 C ATOM 0 H PHE A 21 -4.665 8.570 2.366 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.243 6.622 4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.527 4.606 3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.878 5.279 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.180 6.597 0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.678 3.784 2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.945 6.122 -2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.433 3.363 0.058 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.070 4.516 -2.029 1.00 0.00 H new ATOM 311 N SER A 22 -2.435 6.412 4.836 1.00 0.00 N ATOM 312 CA SER A 22 -0.911 6.517 5.046 1.00 0.00 C ATOM 313 C SER A 22 -0.241 5.101 5.061 1.00 0.00 C ATOM 314 O SER A 22 -0.872 4.097 5.554 1.00 0.00 O ATOM 315 CB SER A 22 -0.478 7.399 6.284 1.00 0.00 C ATOM 316 OG SER A 22 -0.862 8.761 6.147 1.00 0.00 O ATOM 0 H SER A 22 -2.872 5.688 5.407 1.00 0.00 H new ATOM 0 HA SER A 22 -0.533 7.062 4.181 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.923 6.989 7.191 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.604 7.341 6.406 1.00 0.00 H new ATOM 0 HG SER A 22 -0.357 9.171 5.414 1.00 0.00 H new ATOM 322 N ILE A 23 1.082 5.017 4.513 1.00 0.00 N ATOM 323 CA ILE A 23 1.895 3.701 4.328 1.00 0.00 C ATOM 324 C ILE A 23 3.249 3.526 5.072 1.00 0.00 C ATOM 325 O ILE A 23 4.198 4.330 4.902 1.00 0.00 O ATOM 326 CB ILE A 23 1.896 3.010 2.844 1.00 0.00 C ATOM 327 CG1 ILE A 23 2.035 3.958 1.525 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.651 2.184 2.759 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.394 4.675 1.184 1.00 0.00 C ATOM 0 H ILE A 23 1.592 5.843 4.199 1.00 0.00 H new ATOM 0 HA ILE A 23 1.215 3.098 4.930 1.00 0.00 H new ATOM 0 HB ILE A 23 2.828 2.447 2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.771 3.346 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.276 4.735 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.602 1.699 1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.663 1.425 3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.221 2.825 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.279 5.257 0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.671 5.338 2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.174 3.927 1.043 1.00 0.00 H new ATOM 341 N ALA A 24 3.292 2.352 5.902 1.00 0.00 N ATOM 342 CA ALA A 24 4.467 1.923 6.747 1.00 0.00 C ATOM 343 C ALA A 24 5.250 0.732 6.039 1.00 0.00 C ATOM 344 O ALA A 24 4.694 -0.396 5.840 1.00 0.00 O ATOM 345 CB ALA A 24 3.982 1.591 8.223 1.00 0.00 C ATOM 0 H ALA A 24 2.502 1.711 5.975 1.00 0.00 H new ATOM 0 HA ALA A 24 5.184 2.739 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.836 1.282 8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.528 2.478 8.665 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.249 0.785 8.192 1.00 0.00 H new ATOM 351 N GLY A 25 6.556 1.047 5.687 1.00 0.00 N ATOM 352 CA GLY A 25 7.490 0.171 4.871 1.00 0.00 C ATOM 353 C GLY A 25 8.944 0.663 4.878 1.00 0.00 C ATOM 354 O GLY A 25 9.187 1.903 5.059 1.00 0.00 O ATOM 0 H GLY A 25 6.991 1.926 5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.456 -0.846 5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.132 0.130 3.842 1.00 0.00 H new ATOM 358 N GLY A 26 9.910 -0.325 4.642 1.00 0.00 N ATOM 359 CA GLY A 26 11.396 -0.054 4.820 1.00 0.00 C ATOM 360 C GLY A 26 12.375 -1.227 4.652 1.00 0.00 C ATOM 361 O GLY A 26 12.018 -2.408 4.918 1.00 0.00 O ATOM 0 H GLY A 26 9.690 -1.274 4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.680 0.721 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.541 0.360 5.818 1.00 0.00 H new ATOM 365 N THR A 27 13.644 -0.848 4.174 1.00 0.00 N ATOM 366 CA THR A 27 14.931 -1.731 4.188 1.00 0.00 C ATOM 367 C THR A 27 15.977 -1.309 5.315 1.00 0.00 C ATOM 368 O THR A 27 16.510 -2.204 6.032 1.00 0.00 O ATOM 369 CB THR A 27 15.680 -1.932 2.774 1.00 0.00 C ATOM 370 OG1 THR A 27 15.797 -0.721 2.004 1.00 0.00 O ATOM 371 CG2 THR A 27 15.098 -3.081 1.955 1.00 0.00 C ATOM 0 H THR A 27 13.811 0.073 3.768 1.00 0.00 H new ATOM 0 HA THR A 27 14.521 -2.710 4.436 1.00 0.00 H new ATOM 0 HB THR A 27 16.700 -2.216 3.034 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.261 -0.912 1.162 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.641 -3.169 1.014 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.191 -4.011 2.516 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.046 -2.885 1.749 1.00 0.00 H new ATOM 379 N ASP A 28 16.223 0.095 5.449 1.00 0.00 N ATOM 380 CA ASP A 28 17.145 0.771 6.483 1.00 0.00 C ATOM 381 C ASP A 28 16.347 1.374 7.743 1.00 0.00 C ATOM 382 O ASP A 28 16.894 1.360 8.891 1.00 0.00 O ATOM 383 CB ASP A 28 18.108 1.878 5.816 1.00 0.00 C ATOM 384 CG ASP A 28 19.230 1.326 4.890 1.00 0.00 C ATOM 385 OD1 ASP A 28 18.984 1.190 3.668 1.00 0.00 O ATOM 386 OD2 ASP A 28 20.344 1.052 5.398 1.00 0.00 O ATOM 0 H ASP A 28 15.777 0.774 4.832 1.00 0.00 H new ATOM 0 HA ASP A 28 17.780 -0.026 6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.493 2.568 5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.573 2.457 6.614 1.00 0.00 H new ATOM 391 N ASN A 29 15.011 1.866 7.486 1.00 0.00 N ATOM 392 CA ASN A 29 14.046 2.462 8.493 1.00 0.00 C ATOM 393 C ASN A 29 12.909 1.378 8.986 1.00 0.00 C ATOM 394 O ASN A 29 12.094 0.920 8.117 1.00 0.00 O ATOM 395 CB ASN A 29 13.388 3.850 7.987 1.00 0.00 C ATOM 396 CG ASN A 29 14.346 5.078 7.927 1.00 0.00 C ATOM 397 OD1 ASN A 29 15.001 5.324 6.906 1.00 0.00 O ATOM 398 ND2 ASN A 29 14.400 5.858 9.017 1.00 0.00 N ATOM 0 H ASN A 29 14.611 1.840 6.548 1.00 0.00 H new ATOM 0 HA ASN A 29 14.643 2.712 9.370 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.971 3.690 6.993 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.555 4.096 8.646 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.996 6.686 9.023 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.845 5.623 9.840 1.00 0.00 H new ATOM 501 N SER A 37 8.775 -5.844 4.441 1.00 0.00 N ATOM 502 CA SER A 37 7.549 -5.624 3.515 1.00 0.00 C ATOM 503 C SER A 37 6.700 -4.288 3.834 1.00 0.00 C ATOM 504 O SER A 37 6.710 -3.801 5.008 1.00 0.00 O ATOM 505 CB SER A 37 6.642 -6.950 3.471 1.00 0.00 C ATOM 506 OG SER A 37 6.149 -7.359 4.763 1.00 0.00 O ATOM 0 HA SER A 37 7.941 -5.442 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.795 -6.778 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.225 -7.764 3.040 1.00 0.00 H new ATOM 0 HG SER A 37 5.605 -8.168 4.664 1.00 0.00 H new ATOM 512 N ILE A 38 5.954 -3.714 2.730 1.00 0.00 N ATOM 513 CA ILE A 38 5.111 -2.417 2.795 1.00 0.00 C ATOM 514 C ILE A 38 3.552 -2.792 3.107 1.00 0.00 C ATOM 515 O ILE A 38 2.841 -3.410 2.277 1.00 0.00 O ATOM 516 CB ILE A 38 5.326 -1.340 1.456 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.806 -1.315 0.620 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.885 0.153 1.753 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.215 -1.469 1.354 1.00 0.00 C ATOM 0 H ILE A 38 5.938 -4.146 1.806 1.00 0.00 H new ATOM 0 HA ILE A 38 5.492 -1.824 3.626 1.00 0.00 H new ATOM 0 HB ILE A 38 4.639 -1.832 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.755 -2.109 -0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.840 -0.370 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.051 0.765 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.828 0.174 2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.473 0.548 2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.016 -1.422 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.339 -0.662 2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.253 -2.428 1.871 1.00 0.00 H new ATOM 531 N PHE A 39 3.128 -2.370 4.382 1.00 0.00 N ATOM 532 CA PHE A 39 1.820 -2.670 5.137 1.00 0.00 C ATOM 533 C PHE A 39 1.000 -1.330 5.473 1.00 0.00 C ATOM 534 O PHE A 39 1.619 -0.214 5.712 1.00 0.00 O ATOM 535 CB PHE A 39 2.267 -3.576 6.466 1.00 0.00 C ATOM 536 CG PHE A 39 1.323 -3.952 7.712 1.00 0.00 C ATOM 537 CD1 PHE A 39 0.124 -4.673 7.596 1.00 0.00 C ATOM 538 CD2 PHE A 39 1.733 -3.595 8.994 1.00 0.00 C ATOM 539 CE1 PHE A 39 -0.626 -5.004 8.722 1.00 0.00 C ATOM 540 CE2 PHE A 39 0.994 -3.931 10.126 1.00 0.00 C ATOM 541 CZ PHE A 39 -0.188 -4.632 9.984 1.00 0.00 C ATOM 0 H PHE A 39 3.734 -1.772 4.943 1.00 0.00 H new ATOM 0 HA PHE A 39 1.111 -3.238 4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.623 -4.526 6.069 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.130 -3.066 6.894 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.222 -4.976 6.619 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.652 -3.041 9.114 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.550 -5.551 8.612 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.343 -3.646 11.108 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.771 -4.890 10.856 1.00 0.00 H new ATOM 551 N ILE A 40 -0.440 -1.478 5.467 1.00 0.00 N ATOM 552 CA ILE A 40 -1.461 -0.385 5.851 1.00 0.00 C ATOM 553 C ILE A 40 -1.714 -0.408 7.426 1.00 0.00 C ATOM 554 O ILE A 40 -1.859 -1.500 8.069 1.00 0.00 O ATOM 555 CB ILE A 40 -2.935 -0.434 5.014 1.00 0.00 C ATOM 556 CG1 ILE A 40 -2.958 -1.144 3.521 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.696 0.979 4.974 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.080 -0.550 2.382 1.00 0.00 C ATOM 0 H ILE A 40 -0.889 -2.353 5.197 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.002 0.555 5.544 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.488 -1.130 5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.667 -2.186 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.991 -1.142 3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.631 0.873 4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.910 1.306 5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.065 1.718 4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.216 -1.137 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.376 0.482 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.031 -0.578 2.678 1.00 0.00 H new ATOM 570 N THR A 41 -1.784 0.868 7.962 1.00 0.00 N ATOM 571 CA THR A 41 -1.836 1.255 9.437 1.00 0.00 C ATOM 572 C THR A 41 -2.847 2.511 9.631 1.00 0.00 C ATOM 573 O THR A 41 -3.536 2.556 10.694 1.00 0.00 O ATOM 574 CB THR A 41 -0.305 1.560 10.035 1.00 0.00 C ATOM 575 OG1 THR A 41 0.635 0.563 9.580 1.00 0.00 O ATOM 576 CG2 THR A 41 -0.186 1.554 11.565 1.00 0.00 C ATOM 0 H THR A 41 -1.807 1.689 7.358 1.00 0.00 H new ATOM 0 HA THR A 41 -2.225 0.420 10.019 1.00 0.00 H new ATOM 0 HB THR A 41 -0.091 2.562 9.664 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.524 0.763 9.941 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.845 1.762 11.851 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.840 2.319 11.984 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.479 0.577 11.949 1.00 0.00 H new ATOM 584 N LYS A 42 -2.926 3.508 8.562 1.00 0.00 N ATOM 585 CA LYS A 42 -3.815 4.715 8.595 1.00 0.00 C ATOM 586 C LYS A 42 -4.823 4.777 7.382 1.00 0.00 C ATOM 587 O LYS A 42 -4.428 4.619 6.189 1.00 0.00 O ATOM 588 CB LYS A 42 -2.914 6.089 8.872 1.00 0.00 C ATOM 589 CG LYS A 42 -3.519 7.602 8.891 1.00 0.00 C ATOM 590 CD LYS A 42 -4.706 7.846 9.837 1.00 0.00 C ATOM 591 CE LYS A 42 -4.973 9.321 10.009 1.00 0.00 C ATOM 592 NZ LYS A 42 -6.122 9.584 10.922 1.00 0.00 N ATOM 0 H LYS A 42 -2.370 3.444 7.709 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.490 4.635 9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.433 5.944 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.125 6.089 8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.717 8.288 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.829 7.860 7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.596 7.356 9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.499 7.396 10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.080 9.806 10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.175 9.768 9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.268 10.610 11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.981 9.144 10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.920 9.182 11.859 1.00 0.00 H new ATOM 606 N ILE A 43 -6.163 4.965 7.794 1.00 0.00 N ATOM 607 CA ILE A 43 -7.358 5.230 6.922 1.00 0.00 C ATOM 608 C ILE A 43 -8.108 6.535 7.486 1.00 0.00 C ATOM 609 O ILE A 43 -8.502 6.587 8.697 1.00 0.00 O ATOM 610 CB ILE A 43 -8.391 3.838 6.716 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.661 2.514 6.032 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.845 4.083 6.057 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.947 2.642 4.601 1.00 0.00 C ATOM 0 H ILE A 43 -6.418 4.929 8.781 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.028 5.433 5.903 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.587 3.612 7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.911 2.157 6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.418 1.734 5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.378 3.135 5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.414 4.775 6.678 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.726 4.504 5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.527 1.677 4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.679 2.953 3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.149 3.383 4.657 1.00 0.00 H new ATOM 625 N ILE A 44 -8.276 7.554 6.538 1.00 0.00 N ATOM 626 CA ILE A 44 -9.071 8.865 6.710 1.00 0.00 C ATOM 627 C ILE A 44 -10.706 8.603 6.437 1.00 0.00 C ATOM 628 O ILE A 44 -11.031 7.983 5.387 1.00 0.00 O ATOM 629 CB ILE A 44 -8.359 10.165 5.799 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.900 10.640 6.293 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.211 11.482 5.640 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.713 9.718 6.043 1.00 0.00 C ATOM 0 H ILE A 44 -7.854 7.487 5.612 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.006 9.201 7.745 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.300 9.659 4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.683 11.596 5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.957 10.824 7.366 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.651 12.209 5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.148 11.250 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.424 11.899 6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.806 10.179 6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.880 8.765 6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.603 9.549 4.972 1.00 0.00 H new ATOM 644 N PRO A 45 -11.764 9.117 7.429 1.00 0.00 N ATOM 645 CA PRO A 45 -13.310 8.925 7.247 1.00 0.00 C ATOM 646 C PRO A 45 -14.021 9.672 5.970 1.00 0.00 C ATOM 647 O PRO A 45 -15.143 9.234 5.542 1.00 0.00 O ATOM 648 CB PRO A 45 -13.899 9.424 8.629 1.00 0.00 C ATOM 649 CG PRO A 45 -12.737 9.444 9.590 1.00 0.00 C ATOM 650 CD PRO A 45 -11.537 9.851 8.775 1.00 0.00 C ATOM 0 HA PRO A 45 -13.520 7.884 7.001 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.341 10.415 8.530 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.686 8.758 8.982 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.914 10.148 10.403 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.588 8.464 10.043 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.487 10.932 8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.604 9.545 9.249 1.00 0.00 H new ATOM 658 N GLY A 46 -13.294 10.755 5.386 1.00 0.00 N ATOM 659 CA GLY A 46 -13.746 11.555 4.193 1.00 0.00 C ATOM 660 C GLY A 46 -12.687 11.744 3.056 1.00 0.00 C ATOM 661 O GLY A 46 -12.624 12.867 2.487 1.00 0.00 O ATOM 0 H GLY A 46 -12.394 11.065 5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.625 11.071 3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.060 12.540 4.538 1.00 0.00 H new ATOM 665 N GLY A 47 -11.841 10.618 2.742 1.00 0.00 N ATOM 666 CA GLY A 47 -10.833 10.564 1.600 1.00 0.00 C ATOM 667 C GLY A 47 -11.331 9.921 0.250 1.00 0.00 C ATOM 668 O GLY A 47 -12.519 9.516 0.120 1.00 0.00 O ATOM 0 H GLY A 47 -11.865 9.755 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.500 11.581 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.961 10.007 1.941 1.00 0.00 H new ATOM 672 N ALA A 48 -10.339 9.850 -0.759 1.00 0.00 N ATOM 673 CA ALA A 48 -10.470 9.337 -2.205 1.00 0.00 C ATOM 674 C ALA A 48 -10.402 7.736 -2.379 1.00 0.00 C ATOM 675 O ALA A 48 -11.152 7.192 -3.217 1.00 0.00 O ATOM 676 CB ALA A 48 -9.445 10.095 -3.135 1.00 0.00 C ATOM 0 H ALA A 48 -9.388 10.165 -0.568 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.486 9.572 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.541 9.729 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.654 11.164 -3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.430 9.916 -2.780 1.00 0.00 H new ATOM 682 N ALA A 49 -9.476 7.005 -1.543 1.00 0.00 N ATOM 683 CA ALA A 49 -9.289 5.462 -1.489 1.00 0.00 C ATOM 684 C ALA A 49 -10.351 4.650 -0.585 1.00 0.00 C ATOM 685 O ALA A 49 -10.605 3.416 -0.845 1.00 0.00 O ATOM 686 CB ALA A 49 -7.843 5.119 -1.110 1.00 0.00 C ATOM 0 H ALA A 49 -8.850 7.488 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.504 5.115 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.723 4.036 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.163 5.536 -1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.613 5.541 -0.132 1.00 0.00 H new ATOM 692 N ALA A 50 -10.992 5.399 0.470 1.00 0.00 N ATOM 693 CA ALA A 50 -12.058 4.900 1.446 1.00 0.00 C ATOM 694 C ALA A 50 -13.558 4.981 0.856 1.00 0.00 C ATOM 695 O ALA A 50 -14.347 4.013 1.052 1.00 0.00 O ATOM 696 CB ALA A 50 -11.916 5.647 2.822 1.00 0.00 C ATOM 0 H ALA A 50 -10.754 6.376 0.639 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.881 3.837 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.679 5.286 3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.928 5.455 3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.043 6.719 2.669 1.00 0.00 H new ATOM 702 N GLN A 51 -13.905 6.172 0.109 1.00 0.00 N ATOM 703 CA GLN A 51 -15.240 6.474 -0.595 1.00 0.00 C ATOM 704 C GLN A 51 -15.318 6.013 -2.137 1.00 0.00 C ATOM 705 O GLN A 51 -16.231 5.209 -2.474 1.00 0.00 O ATOM 706 CB GLN A 51 -15.697 8.010 -0.427 1.00 0.00 C ATOM 707 CG GLN A 51 -15.932 8.521 1.044 1.00 0.00 C ATOM 708 CD GLN A 51 -16.694 9.872 1.172 1.00 0.00 C ATOM 709 OE1 GLN A 51 -17.934 9.901 1.241 1.00 0.00 O ATOM 710 NE2 GLN A 51 -15.951 10.991 1.258 1.00 0.00 N ATOM 0 H GLN A 51 -13.238 6.936 -0.003 1.00 0.00 H new ATOM 0 HA GLN A 51 -15.956 5.844 -0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.940 8.643 -0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.620 8.154 -0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.487 7.758 1.590 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.963 8.623 1.533 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.934 10.934 1.198 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.405 11.896 1.383 1.00 0.00 H new ATOM 719 N ASP A 52 -14.310 6.527 -3.058 1.00 0.00 N ATOM 720 CA ASP A 52 -14.282 6.331 -4.585 1.00 0.00 C ATOM 721 C ASP A 52 -13.490 5.051 -5.159 1.00 0.00 C ATOM 722 O ASP A 52 -13.954 4.466 -6.191 1.00 0.00 O ATOM 723 CB ASP A 52 -13.804 7.672 -5.302 1.00 0.00 C ATOM 724 CG ASP A 52 -14.877 8.785 -5.447 1.00 0.00 C ATOM 725 OD1 ASP A 52 -14.991 9.631 -4.526 1.00 0.00 O ATOM 726 OD2 ASP A 52 -15.578 8.810 -6.489 1.00 0.00 O ATOM 0 H ASP A 52 -13.518 7.078 -2.727 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.317 6.098 -4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.961 8.078 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.436 7.418 -6.296 1.00 0.00 H new ATOM 731 N GLY A 53 -12.330 4.598 -4.438 1.00 0.00 N ATOM 732 CA GLY A 53 -11.359 3.495 -4.910 1.00 0.00 C ATOM 733 C GLY A 53 -11.710 2.016 -4.546 1.00 0.00 C ATOM 734 O GLY A 53 -11.716 1.153 -5.447 1.00 0.00 O ATOM 0 H GLY A 53 -12.066 4.993 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.275 3.563 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.374 3.717 -4.500 1.00 0.00 H new ATOM 738 N ARG A 54 -12.007 1.752 -3.167 1.00 0.00 N ATOM 739 CA ARG A 54 -12.366 0.403 -2.433 1.00 0.00 C ATOM 740 C ARG A 54 -11.133 -0.426 -1.831 1.00 0.00 C ATOM 741 O ARG A 54 -10.855 -1.631 -2.196 1.00 0.00 O ATOM 742 CB ARG A 54 -13.574 -0.490 -3.046 1.00 0.00 C ATOM 743 CG ARG A 54 -15.022 0.089 -2.878 1.00 0.00 C ATOM 744 CD ARG A 54 -16.140 -0.781 -3.539 1.00 0.00 C ATOM 745 NE ARG A 54 -16.191 -0.707 -5.086 1.00 0.00 N ATOM 746 CZ ARG A 54 -17.079 -1.332 -5.994 1.00 0.00 C ATOM 747 NH1 ARG A 54 -18.105 -2.162 -5.625 1.00 0.00 N ATOM 748 NH2 ARG A 54 -16.908 -1.102 -7.291 1.00 0.00 N ATOM 0 H ARG A 54 -12.001 2.523 -2.499 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.847 0.807 -1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.385 -0.636 -4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.543 -1.474 -2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.239 0.193 -1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.053 1.090 -3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.995 -1.820 -3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.106 -0.469 -3.142 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.476 -0.119 -5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -18.268 -2.364 -4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.706 -2.578 -6.337 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.154 -0.491 -7.606 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.530 -1.537 -7.972 1.00 0.00 H new ATOM 762 N LEU A 55 -10.298 0.355 -0.990 1.00 0.00 N ATOM 763 CA LEU A 55 -9.167 -0.113 -0.123 1.00 0.00 C ATOM 764 C LEU A 55 -9.525 0.021 1.440 1.00 0.00 C ATOM 765 O LEU A 55 -10.016 1.096 1.920 1.00 0.00 O ATOM 766 CB LEU A 55 -7.791 0.660 -0.584 1.00 0.00 C ATOM 767 CG LEU A 55 -6.444 0.571 0.245 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.327 -0.094 -0.536 1.00 0.00 C ATOM 769 CD2 LEU A 55 -6.057 1.969 0.658 1.00 0.00 C ATOM 0 H LEU A 55 -10.428 1.364 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.995 -1.180 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.561 0.312 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.039 1.718 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.608 -0.054 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.426 -0.130 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.624 -1.108 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.127 0.477 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.131 1.936 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.912 2.584 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.848 2.399 1.272 1.00 0.00 H new ATOM 781 N ARG A 56 -9.272 -1.147 2.164 1.00 0.00 N ATOM 782 CA ARG A 56 -9.308 -1.332 3.680 1.00 0.00 C ATOM 783 C ARG A 56 -7.832 -1.587 4.254 1.00 0.00 C ATOM 784 O ARG A 56 -6.929 -2.108 3.524 1.00 0.00 O ATOM 785 CB ARG A 56 -10.344 -2.486 4.140 1.00 0.00 C ATOM 786 CG ARG A 56 -11.830 -2.153 4.079 1.00 0.00 C ATOM 787 CD ARG A 56 -12.578 -3.346 4.590 1.00 0.00 C ATOM 788 NE ARG A 56 -14.076 -3.116 4.726 1.00 0.00 N ATOM 789 CZ ARG A 56 -15.089 -3.982 5.233 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.854 -5.240 5.731 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.343 -3.545 5.233 1.00 0.00 N ATOM 0 H ARG A 56 -9.029 -2.015 1.687 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.683 -0.404 4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.169 -3.364 3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.103 -2.767 5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.051 -1.273 4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.130 -1.921 3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.408 -4.186 3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.173 -3.629 5.562 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.405 -2.205 4.406 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.904 -5.610 5.754 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.630 -5.804 6.078 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.559 -2.614 4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.091 -4.141 5.589 1.00 0.00 H new ATOM 805 N VAL A 57 -7.615 -1.234 5.610 1.00 0.00 N ATOM 806 CA VAL A 57 -6.305 -1.337 6.449 1.00 0.00 C ATOM 807 C VAL A 57 -5.607 -2.832 6.536 1.00 0.00 C ATOM 808 O VAL A 57 -4.361 -2.958 6.713 1.00 0.00 O ATOM 809 CB VAL A 57 -6.555 -0.603 7.883 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.330 -1.262 9.016 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.508 0.330 8.328 1.00 0.00 C ATOM 0 H VAL A 57 -8.378 -0.855 6.170 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.522 -0.804 5.909 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.389 -0.020 7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.369 -0.587 9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.344 -1.484 8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.833 -2.188 9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.786 0.755 9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.563 -0.204 8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.399 1.131 7.596 1.00 0.00 H new ATOM 821 N ASN A 58 -6.526 -3.875 6.415 1.00 0.00 N ATOM 822 CA ASN A 58 -6.274 -5.327 6.408 1.00 0.00 C ATOM 823 C ASN A 58 -6.054 -5.926 4.861 1.00 0.00 C ATOM 824 O ASN A 58 -5.960 -7.188 4.691 1.00 0.00 O ATOM 825 CB ASN A 58 -7.480 -5.979 7.269 1.00 0.00 C ATOM 826 CG ASN A 58 -7.250 -7.415 7.852 1.00 0.00 C ATOM 827 OD1 ASN A 58 -6.722 -7.574 8.960 1.00 0.00 O ATOM 828 ND2 ASN A 58 -7.684 -8.445 7.115 1.00 0.00 N ATOM 0 H ASN A 58 -7.521 -3.675 6.315 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.328 -5.598 6.876 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.702 -5.309 8.100 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.368 -6.009 6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.584 -9.399 7.463 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.114 -8.276 6.206 1.00 0.00 H new ATOM 835 N ASP A 59 -5.890 -4.952 3.751 1.00 0.00 N ATOM 836 CA ASP A 59 -5.670 -5.360 2.265 1.00 0.00 C ATOM 837 C ASP A 59 -4.157 -5.562 1.811 1.00 0.00 C ATOM 838 O ASP A 59 -3.882 -6.443 0.934 1.00 0.00 O ATOM 839 CB ASP A 59 -6.488 -4.463 1.239 1.00 0.00 C ATOM 840 CG ASP A 59 -7.957 -4.900 1.014 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.844 -4.421 1.748 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.205 -5.707 0.084 1.00 0.00 O ATOM 0 H ASP A 59 -5.911 -3.942 3.894 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.092 -6.364 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.482 -3.433 1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.971 -4.472 0.279 1.00 0.00 H new ATOM 847 N SER A 60 -3.140 -4.711 2.444 1.00 0.00 N ATOM 848 CA SER A 60 -1.556 -4.715 2.255 1.00 0.00 C ATOM 849 C SER A 60 -1.011 -4.825 0.758 1.00 0.00 C ATOM 850 O SER A 60 -1.262 -5.863 0.058 1.00 0.00 O ATOM 851 CB SER A 60 -0.820 -5.735 3.230 1.00 0.00 C ATOM 852 OG SER A 60 -1.068 -5.436 4.587 1.00 0.00 O ATOM 0 H SER A 60 -3.421 -3.993 3.112 1.00 0.00 H new ATOM 0 HA SER A 60 -1.285 -3.701 2.551 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.155 -6.750 3.014 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.253 -5.707 3.042 1.00 0.00 H new ATOM 0 HG SER A 60 -0.887 -6.228 5.135 1.00 0.00 H new ATOM 858 N ILE A 61 -0.232 -3.742 0.295 1.00 0.00 N ATOM 859 CA ILE A 61 0.323 -3.603 -1.159 1.00 0.00 C ATOM 860 C ILE A 61 1.721 -4.418 -1.306 1.00 0.00 C ATOM 861 O ILE A 61 2.679 -4.198 -0.505 1.00 0.00 O ATOM 862 CB ILE A 61 0.486 -1.992 -1.733 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.742 -1.010 -1.273 1.00 0.00 C ATOM 864 CG2 ILE A 61 0.553 -1.992 -3.351 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.459 0.543 -1.194 1.00 0.00 C ATOM 0 H ILE A 61 0.026 -2.959 0.896 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.439 -4.044 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 61 1.405 -1.605 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.570 -1.164 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.082 -1.338 -0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.656 -0.968 -3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.410 -2.580 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.362 -2.427 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.363 1.062 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.339 0.731 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.157 0.908 -2.176 1.00 0.00 H new ATOM 877 N LEU A 62 1.753 -5.366 -2.377 1.00 0.00 N ATOM 878 CA LEU A 62 2.999 -6.117 -2.850 1.00 0.00 C ATOM 879 C LEU A 62 3.744 -5.355 -3.992 1.00 0.00 C ATOM 880 O LEU A 62 5.006 -5.265 -3.956 1.00 0.00 O ATOM 881 CB LEU A 62 2.751 -7.714 -3.192 1.00 0.00 C ATOM 882 CG LEU A 62 1.712 -8.214 -4.301 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.080 -9.588 -4.742 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.299 -8.286 -3.784 1.00 0.00 C ATOM 0 H LEU A 62 0.919 -5.610 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 62 3.667 -6.133 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.722 -8.126 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.458 -8.189 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 62 1.758 -7.491 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.372 -9.929 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.085 -9.578 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.052 -10.264 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.362 -8.631 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.253 -8.982 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.018 -7.297 -3.452 1.00 0.00 H new ATOM 896 N PHE A 63 2.896 -4.810 -5.033 1.00 0.00 N ATOM 897 CA PHE A 63 3.416 -4.065 -6.267 1.00 0.00 C ATOM 898 C PHE A 63 2.709 -2.703 -6.509 1.00 0.00 C ATOM 899 O PHE A 63 1.463 -2.638 -6.595 1.00 0.00 O ATOM 900 CB PHE A 63 3.428 -5.033 -7.596 1.00 0.00 C ATOM 901 CG PHE A 63 4.505 -6.200 -7.588 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.288 -7.397 -6.885 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.689 -6.072 -8.277 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.208 -8.408 -6.864 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.633 -7.072 -8.263 1.00 0.00 C ATOM 906 CZ PHE A 63 6.400 -8.252 -7.553 1.00 0.00 C ATOM 0 H PHE A 63 1.879 -4.889 -5.011 1.00 0.00 H new ATOM 0 HA PHE A 63 4.453 -3.804 -6.058 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.439 -5.477 -7.708 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.600 -4.411 -8.474 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.363 -7.523 -6.343 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.881 -5.170 -8.839 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.008 -9.317 -6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.559 -6.944 -8.804 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.143 -9.036 -7.541 1.00 0.00 H new ATOM 916 N VAL A 64 3.561 -1.591 -6.623 1.00 0.00 N ATOM 917 CA VAL A 64 3.082 -0.096 -6.848 1.00 0.00 C ATOM 918 C VAL A 64 3.547 0.297 -8.285 1.00 0.00 C ATOM 919 O VAL A 64 4.655 0.070 -8.607 1.00 0.00 O ATOM 920 CB VAL A 64 3.570 1.031 -5.638 1.00 0.00 C ATOM 921 CG1 VAL A 64 2.988 2.487 -5.780 1.00 0.00 C ATOM 922 CG2 VAL A 64 3.244 0.581 -4.205 1.00 0.00 C ATOM 0 H VAL A 64 4.576 -1.676 -6.567 1.00 0.00 H new ATOM 0 HA VAL A 64 1.997 -0.050 -6.753 1.00 0.00 H new ATOM 0 HB VAL A 64 4.646 1.058 -5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.361 3.109 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.300 2.912 -6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.899 2.449 -5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.581 1.341 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.168 0.443 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.752 -0.360 -3.995 1.00 0.00 H new ATOM 932 N ASN A 65 2.576 0.883 -9.162 1.00 0.00 N ATOM 933 CA ASN A 65 2.750 1.324 -10.722 1.00 0.00 C ATOM 934 C ASN A 65 2.858 0.086 -11.777 1.00 0.00 C ATOM 935 O ASN A 65 2.851 0.295 -13.035 1.00 0.00 O ATOM 936 CB ASN A 65 4.010 2.373 -10.987 1.00 0.00 C ATOM 937 CG ASN A 65 3.821 3.771 -10.417 1.00 0.00 C ATOM 938 OD1 ASN A 65 3.314 4.700 -11.232 1.00 0.00 O flip ATOM 939 ND2 ASN A 65 4.158 4.014 -9.272 1.00 0.00 N flip ATOM 0 H ASN A 65 1.631 1.076 -8.829 1.00 0.00 H new ATOM 0 HA ASN A 65 1.812 1.844 -10.918 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.916 1.943 -10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.173 2.455 -12.062 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.541 3.273 -8.685 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.058 4.959 -8.900 1.00 0.00 H new ATOM 946 N GLU A 66 2.831 -1.231 -11.194 1.00 0.00 N ATOM 947 CA GLU A 66 3.302 -2.627 -11.772 1.00 0.00 C ATOM 948 C GLU A 66 4.884 -2.909 -11.461 1.00 0.00 C ATOM 949 O GLU A 66 5.469 -3.963 -11.896 1.00 0.00 O ATOM 950 CB GLU A 66 2.839 -3.028 -13.303 1.00 0.00 C ATOM 951 CG GLU A 66 1.308 -3.284 -13.503 1.00 0.00 C ATOM 952 CD GLU A 66 0.905 -3.693 -14.940 1.00 0.00 C ATOM 953 OE1 GLU A 66 0.605 -2.788 -15.765 1.00 0.00 O ATOM 954 OE2 GLU A 66 0.857 -4.920 -15.229 1.00 0.00 O ATOM 0 H GLU A 66 2.457 -1.351 -10.252 1.00 0.00 H new ATOM 0 HA GLU A 66 2.708 -3.341 -11.201 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.146 -2.228 -13.977 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.381 -3.924 -13.604 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.991 -4.067 -12.814 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.763 -2.380 -13.230 1.00 0.00 H new ATOM 961 N VAL A 67 5.526 -1.953 -10.555 1.00 0.00 N ATOM 962 CA VAL A 67 6.964 -1.969 -10.075 1.00 0.00 C ATOM 963 C VAL A 67 7.158 -2.664 -8.667 1.00 0.00 C ATOM 964 O VAL A 67 6.216 -2.628 -7.772 1.00 0.00 O ATOM 965 CB VAL A 67 7.856 -0.558 -10.233 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.116 -0.178 -11.648 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.472 0.693 -9.359 1.00 0.00 C ATOM 0 H VAL A 67 5.007 -1.165 -10.167 1.00 0.00 H new ATOM 0 HA VAL A 67 7.423 -2.614 -10.824 1.00 0.00 H new ATOM 0 HB VAL A 67 8.787 -0.881 -9.767 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.697 0.744 -11.676 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.673 -0.974 -12.142 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.168 -0.025 -12.164 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.149 1.517 -9.586 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.448 0.992 -9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.553 0.437 -8.302 1.00 0.00 H new ATOM 977 N ASP A 68 8.459 -3.177 -8.478 1.00 0.00 N ATOM 978 CA ASP A 68 8.944 -3.993 -7.338 1.00 0.00 C ATOM 979 C ASP A 68 9.346 -3.175 -6.047 1.00 0.00 C ATOM 980 O ASP A 68 10.454 -2.549 -5.982 1.00 0.00 O ATOM 981 CB ASP A 68 9.950 -5.220 -7.744 1.00 0.00 C ATOM 982 CG ASP A 68 11.281 -4.862 -8.515 1.00 0.00 C ATOM 983 OD1 ASP A 68 11.257 -4.832 -9.768 1.00 0.00 O ATOM 984 OD2 ASP A 68 12.313 -4.628 -7.846 1.00 0.00 O ATOM 0 H ASP A 68 9.197 -3.006 -9.161 1.00 0.00 H new ATOM 0 HA ASP A 68 8.048 -4.520 -7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.225 -5.744 -6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.388 -5.924 -8.357 1.00 0.00 H new ATOM 989 N VAL A 69 8.338 -3.155 -5.073 1.00 0.00 N ATOM 990 CA VAL A 69 8.450 -2.501 -3.673 1.00 0.00 C ATOM 991 C VAL A 69 8.891 -3.496 -2.482 1.00 0.00 C ATOM 992 O VAL A 69 9.320 -3.030 -1.401 1.00 0.00 O ATOM 993 CB VAL A 69 7.238 -1.445 -3.256 1.00 0.00 C ATOM 994 CG1 VAL A 69 7.167 -0.193 -4.114 1.00 0.00 C ATOM 995 CG2 VAL A 69 5.811 -2.043 -2.990 1.00 0.00 C ATOM 0 H VAL A 69 7.428 -3.588 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 69 9.310 -1.846 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 69 7.584 -1.150 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.347 0.438 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.105 0.356 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.997 -0.473 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.123 -1.239 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.455 -2.548 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.863 -2.758 -2.169 1.00 0.00 H new ATOM 1005 N ARG A 70 8.826 -4.890 -2.774 1.00 0.00 N ATOM 1006 CA ARG A 70 9.191 -6.110 -1.832 1.00 0.00 C ATOM 1007 C ARG A 70 10.624 -6.067 -1.011 1.00 0.00 C ATOM 1008 O ARG A 70 10.772 -6.739 0.055 1.00 0.00 O ATOM 1009 CB ARG A 70 8.889 -7.539 -2.542 1.00 0.00 C ATOM 1010 CG ARG A 70 9.573 -7.900 -3.922 1.00 0.00 C ATOM 1011 CD ARG A 70 9.117 -9.269 -4.422 1.00 0.00 C ATOM 1012 NE ARG A 70 9.770 -9.646 -5.740 1.00 0.00 N ATOM 1013 CZ ARG A 70 9.619 -10.820 -6.528 1.00 0.00 C ATOM 1014 NH1 ARG A 70 8.799 -11.873 -6.202 1.00 0.00 N ATOM 1015 NH2 ARG A 70 10.315 -10.905 -7.653 1.00 0.00 N ATOM 0 H ARG A 70 8.512 -5.212 -3.689 1.00 0.00 H new ATOM 0 HA ARG A 70 8.493 -5.981 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.164 -8.318 -1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.811 -7.606 -2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.328 -7.139 -4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.657 -7.894 -3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.353 -10.024 -3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.034 -9.267 -4.543 1.00 0.00 H new ATOM 0 HE ARG A 70 10.415 -8.952 -6.117 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.248 -11.843 -5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.742 -12.684 -6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.934 -10.143 -7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.231 -11.733 -8.243 1.00 0.00 H new ATOM 1029 N GLU A 71 11.627 -5.201 -1.565 1.00 0.00 N ATOM 1030 CA GLU A 71 13.029 -4.898 -1.031 1.00 0.00 C ATOM 1031 C GLU A 71 13.413 -3.394 -1.512 1.00 0.00 C ATOM 1032 O GLU A 71 14.152 -3.170 -2.540 1.00 0.00 O ATOM 1033 CB GLU A 71 14.129 -6.061 -1.445 1.00 0.00 C ATOM 1034 CG GLU A 71 15.482 -6.133 -0.622 1.00 0.00 C ATOM 1035 CD GLU A 71 16.474 -7.214 -1.110 1.00 0.00 C ATOM 1036 OE1 GLU A 71 16.412 -8.367 -0.603 1.00 0.00 O ATOM 1037 OE2 GLU A 71 17.334 -6.898 -1.978 1.00 0.00 O ATOM 0 H GLU A 71 11.445 -4.689 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 71 13.047 -4.927 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.637 -7.030 -1.364 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.384 -5.920 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 71 15.973 -5.161 -0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 71 15.246 -6.321 0.425 1.00 0.00 H new ATOM 1044 N VAL A 72 12.747 -2.380 -0.788 1.00 0.00 N ATOM 1045 CA VAL A 72 12.919 -0.846 -0.949 1.00 0.00 C ATOM 1046 C VAL A 72 12.885 -0.115 0.482 1.00 0.00 C ATOM 1047 O VAL A 72 12.318 -0.668 1.448 1.00 0.00 O ATOM 1048 CB VAL A 72 11.857 -0.067 -2.083 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.870 -0.614 -3.507 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.369 0.287 -1.624 1.00 0.00 C ATOM 0 H VAL A 72 12.065 -2.610 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 72 13.904 -0.733 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 72 12.370 0.895 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.168 -0.049 -4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.873 -0.521 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.578 -1.664 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.839 0.768 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.848 -0.628 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.403 0.963 -0.770 1.00 0.00 H new ATOM 1060 N THR A 73 13.441 1.182 0.520 1.00 0.00 N ATOM 1061 CA THR A 73 13.297 2.226 1.671 1.00 0.00 C ATOM 1062 C THR A 73 11.847 2.960 1.660 1.00 0.00 C ATOM 1063 O THR A 73 11.112 2.883 0.640 1.00 0.00 O ATOM 1064 CB THR A 73 14.487 3.341 1.687 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.891 3.791 0.379 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.693 2.931 2.516 1.00 0.00 C ATOM 0 H THR A 73 14.006 1.539 -0.250 1.00 0.00 H new ATOM 0 HA THR A 73 13.385 1.644 2.588 1.00 0.00 H new ATOM 0 HB THR A 73 14.028 4.196 2.183 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.604 4.457 0.468 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.444 3.720 2.481 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.386 2.768 3.549 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.115 2.010 2.113 1.00 0.00 H new ATOM 1074 N HIS A 74 11.456 3.639 2.862 1.00 0.00 N ATOM 1075 CA HIS A 74 10.185 4.529 3.134 1.00 0.00 C ATOM 1076 C HIS A 74 9.920 5.641 1.943 1.00 0.00 C ATOM 1077 O HIS A 74 8.895 5.510 1.153 1.00 0.00 O ATOM 1078 CB HIS A 74 10.376 5.145 4.645 1.00 0.00 C ATOM 1079 CG HIS A 74 9.270 6.054 5.303 1.00 0.00 C ATOM 1080 ND1 HIS A 74 9.413 7.433 5.435 1.00 0.00 N ATOM 1081 CD2 HIS A 74 8.083 5.756 5.914 1.00 0.00 C ATOM 1082 CE1 HIS A 74 8.371 7.935 6.099 1.00 0.00 C ATOM 1083 NE2 HIS A 74 7.556 6.939 6.394 1.00 0.00 N ATOM 0 H HIS A 74 12.040 3.577 3.696 1.00 0.00 H new ATOM 0 HA HIS A 74 9.265 3.946 3.103 1.00 0.00 H new ATOM 0 HB2 HIS A 74 10.533 4.300 5.315 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.300 5.723 4.638 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.639 4.776 6.004 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.220 8.974 6.351 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.674 7.029 6.898 1.00 0.00 H new ATOM 1092 N SER A 75 11.013 6.567 1.698 1.00 0.00 N ATOM 1093 CA SER A 75 11.063 7.673 0.607 1.00 0.00 C ATOM 1094 C SER A 75 10.957 7.102 -0.891 1.00 0.00 C ATOM 1095 O SER A 75 10.220 7.670 -1.696 1.00 0.00 O ATOM 1096 CB SER A 75 12.314 8.612 0.791 1.00 0.00 C ATOM 1097 OG SER A 75 12.250 9.356 2.005 1.00 0.00 O ATOM 0 H SER A 75 11.864 6.546 2.261 1.00 0.00 H new ATOM 0 HA SER A 75 10.168 8.278 0.753 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.223 8.011 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.378 9.299 -0.052 1.00 0.00 H new ATOM 0 HG SER A 75 13.044 9.924 2.083 1.00 0.00 H new ATOM 1103 N ALA A 76 11.575 5.804 -1.123 1.00 0.00 N ATOM 1104 CA ALA A 76 11.559 4.954 -2.406 1.00 0.00 C ATOM 1105 C ALA A 76 10.118 4.295 -2.755 1.00 0.00 C ATOM 1106 O ALA A 76 9.839 3.992 -3.963 1.00 0.00 O ATOM 1107 CB ALA A 76 12.649 3.873 -2.289 1.00 0.00 C ATOM 0 H ALA A 76 12.101 5.342 -0.381 1.00 0.00 H new ATOM 0 HA ALA A 76 11.763 5.623 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.652 3.260 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.622 4.349 -2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.445 3.243 -1.423 1.00 0.00 H new ATOM 1113 N ALA A 77 9.186 4.136 -1.639 1.00 0.00 N ATOM 1114 CA ALA A 77 7.743 3.647 -1.727 1.00 0.00 C ATOM 1115 C ALA A 77 6.701 4.837 -1.940 1.00 0.00 C ATOM 1116 O ALA A 77 5.725 4.663 -2.710 1.00 0.00 O ATOM 1117 CB ALA A 77 7.394 2.778 -0.492 1.00 0.00 C ATOM 0 H ALA A 77 9.460 4.355 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 77 7.660 3.023 -2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.362 2.436 -0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.060 1.916 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.514 3.370 0.415 1.00 0.00 H new ATOM 1123 N VAL A 78 7.001 6.091 -1.275 1.00 0.00 N ATOM 1124 CA VAL A 78 6.182 7.457 -1.372 1.00 0.00 C ATOM 1125 C VAL A 78 6.402 8.187 -2.821 1.00 0.00 C ATOM 1126 O VAL A 78 5.410 8.646 -3.438 1.00 0.00 O ATOM 1127 CB VAL A 78 6.497 8.462 -0.036 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.763 9.843 -0.003 1.00 0.00 C ATOM 1129 CG2 VAL A 78 6.072 7.790 1.250 1.00 0.00 C ATOM 0 H VAL A 78 7.811 6.180 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 78 5.118 7.226 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 78 7.568 8.637 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.049 10.386 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.043 10.425 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.685 9.682 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.282 8.450 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.004 7.577 1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.623 6.858 1.373 1.00 0.00 H new ATOM 1139 N GLU A 79 7.739 8.186 -3.337 1.00 0.00 N ATOM 1140 CA GLU A 79 8.265 8.763 -4.692 1.00 0.00 C ATOM 1141 C GLU A 79 7.606 8.150 -5.959 1.00 0.00 C ATOM 1142 O GLU A 79 7.413 8.869 -6.890 1.00 0.00 O ATOM 1143 CB GLU A 79 9.834 8.745 -4.825 1.00 0.00 C ATOM 1144 CG GLU A 79 10.558 9.870 -4.039 1.00 0.00 C ATOM 1145 CD GLU A 79 12.092 9.949 -4.260 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.849 9.294 -3.494 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.533 10.694 -5.180 1.00 0.00 O ATOM 0 H GLU A 79 8.498 7.769 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 79 7.948 9.805 -4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.205 7.780 -4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.098 8.828 -5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.117 10.827 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.367 9.729 -2.975 1.00 0.00 H new ATOM 1154 N ALA A 80 7.145 6.783 -5.862 1.00 0.00 N ATOM 1155 CA ALA A 80 6.312 6.012 -6.887 1.00 0.00 C ATOM 1156 C ALA A 80 4.778 6.562 -6.991 1.00 0.00 C ATOM 1157 O ALA A 80 4.178 6.537 -8.097 1.00 0.00 O ATOM 1158 CB ALA A 80 6.391 4.489 -6.569 1.00 0.00 C ATOM 0 H ALA A 80 7.364 6.211 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 80 6.733 6.179 -7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.799 3.934 -7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.429 4.160 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.001 4.306 -5.568 1.00 0.00 H new ATOM 1164 N LEU A 81 4.230 7.169 -5.791 1.00 0.00 N ATOM 1165 CA LEU A 81 2.824 7.791 -5.621 1.00 0.00 C ATOM 1166 C LEU A 81 2.774 9.341 -5.939 1.00 0.00 C ATOM 1167 O LEU A 81 1.733 9.849 -6.462 1.00 0.00 O ATOM 1168 CB LEU A 81 2.209 7.456 -4.171 1.00 0.00 C ATOM 1169 CG LEU A 81 2.015 5.955 -3.807 1.00 0.00 C ATOM 1170 CD1 LEU A 81 2.517 5.686 -2.434 1.00 0.00 C ATOM 1171 CD2 LEU A 81 0.575 5.463 -3.994 1.00 0.00 C ATOM 0 H LEU A 81 4.776 7.225 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 81 2.192 7.320 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.857 7.905 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.240 7.950 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 81 2.610 5.378 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.374 4.632 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.578 5.930 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.967 6.298 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.512 4.409 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.093 6.043 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.281 5.587 -5.036 1.00 0.00 H new ATOM 1183 N LYS A 82 3.966 10.064 -5.636 1.00 0.00 N ATOM 1184 CA LYS A 82 4.260 11.537 -5.911 1.00 0.00 C ATOM 1185 C LYS A 82 4.782 11.829 -7.410 1.00 0.00 C ATOM 1186 O LYS A 82 4.502 12.944 -7.953 1.00 0.00 O ATOM 1187 CB LYS A 82 5.239 12.145 -4.820 1.00 0.00 C ATOM 1188 CG LYS A 82 4.599 12.447 -3.413 1.00 0.00 C ATOM 1189 CD LYS A 82 5.622 13.125 -2.451 1.00 0.00 C ATOM 1190 CE LYS A 82 5.013 13.628 -1.092 1.00 0.00 C ATOM 1191 NZ LYS A 82 4.160 14.883 -1.200 1.00 0.00 N ATOM 0 H LYS A 82 4.755 9.604 -5.182 1.00 0.00 H new ATOM 0 HA LYS A 82 3.302 12.050 -5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.069 11.453 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.659 13.071 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.732 13.095 -3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.241 11.518 -2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.421 12.416 -2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.077 13.972 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.407 12.829 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.828 13.819 -0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.801 15.141 -0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.736 15.663 -1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.359 14.704 -1.839 1.00 0.00 H new ATOM 1205 N GLU A 83 5.518 10.759 -8.084 1.00 0.00 N ATOM 1206 CA GLU A 83 6.059 10.824 -9.571 1.00 0.00 C ATOM 1207 C GLU A 83 5.012 10.782 -10.756 1.00 0.00 C ATOM 1208 O GLU A 83 5.128 11.609 -11.714 1.00 0.00 O ATOM 1209 CB GLU A 83 7.339 9.931 -9.851 1.00 0.00 C ATOM 1210 CG GLU A 83 7.232 8.330 -10.034 1.00 0.00 C ATOM 1211 CD GLU A 83 8.577 7.618 -10.293 1.00 0.00 C ATOM 1212 OE1 GLU A 83 9.240 7.203 -9.306 1.00 0.00 O ATOM 1213 OE2 GLU A 83 8.953 7.454 -11.484 1.00 0.00 O ATOM 0 H GLU A 83 5.736 9.876 -7.623 1.00 0.00 H new ATOM 0 HA GLU A 83 6.383 11.865 -9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.805 10.322 -10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.034 10.110 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.778 7.905 -9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.558 8.117 -10.864 1.00 0.00 H new ATOM 1220 N ALA A 84 3.948 9.804 -10.635 1.00 0.00 N ATOM 1221 CA ALA A 84 2.867 9.520 -11.683 1.00 0.00 C ATOM 1222 C ALA A 84 1.840 10.757 -11.953 1.00 0.00 C ATOM 1223 O ALA A 84 1.198 10.853 -13.042 1.00 0.00 O ATOM 1224 CB ALA A 84 2.174 8.211 -11.312 1.00 0.00 C ATOM 0 H ALA A 84 3.849 9.218 -9.806 1.00 0.00 H new ATOM 0 HA ALA A 84 3.349 9.409 -12.654 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.399 7.989 -12.046 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.905 7.403 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.722 8.306 -10.325 1.00 0.00 H new ATOM 1230 N GLY A 85 1.800 11.700 -10.886 1.00 0.00 N ATOM 1231 CA GLY A 85 1.159 13.072 -10.819 1.00 0.00 C ATOM 1232 C GLY A 85 -0.358 13.277 -10.767 1.00 0.00 C ATOM 1233 O GLY A 85 -0.834 14.226 -10.088 1.00 0.00 O ATOM 0 H GLY A 85 2.255 11.478 -10.001 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.569 13.563 -9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.517 13.625 -11.687 1.00 0.00 H new ATOM 1237 N SER A 86 -1.098 12.348 -11.486 1.00 0.00 N ATOM 1238 CA SER A 86 -2.569 12.395 -11.848 1.00 0.00 C ATOM 1239 C SER A 86 -3.248 10.981 -11.808 1.00 0.00 C ATOM 1240 O SER A 86 -4.432 10.897 -11.407 1.00 0.00 O ATOM 1241 CB SER A 86 -2.719 13.043 -13.291 1.00 0.00 C ATOM 1242 OG SER A 86 -2.584 14.461 -13.268 1.00 0.00 O ATOM 0 H SER A 86 -0.656 11.502 -11.846 1.00 0.00 H new ATOM 0 HA SER A 86 -3.082 13.002 -11.102 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.966 12.620 -13.956 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.693 12.780 -13.704 1.00 0.00 H new ATOM 0 HG SER A 86 -2.682 14.814 -14.177 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.458 9.851 -12.245 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.969 8.401 -12.386 1.00 0.00 C ATOM 1250 C ILE A 87 -1.927 7.413 -11.718 1.00 0.00 C ATOM 1251 O ILE A 87 -0.813 7.173 -12.270 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.409 7.975 -14.010 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.416 9.049 -14.779 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -3.902 6.463 -14.240 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.869 9.377 -14.211 1.00 0.00 C ATOM 0 H ILE A 87 -1.474 9.946 -12.497 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.911 8.311 -11.845 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.436 8.047 -14.496 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.880 9.996 -14.845 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.548 8.686 -15.798 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.149 6.317 -15.292 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.107 5.774 -13.954 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.785 6.271 -13.630 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.359 10.101 -14.862 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.461 8.462 -14.175 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.782 9.792 -13.207 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.390 6.837 -10.534 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.626 5.858 -9.647 1.00 0.00 C ATOM 1269 C VAL A 88 -2.343 4.431 -9.514 1.00 0.00 C ATOM 1270 O VAL A 88 -3.467 4.327 -8.957 1.00 0.00 O ATOM 1271 CB VAL A 88 -1.151 6.558 -8.253 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.272 6.984 -8.205 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -2.027 6.830 -6.983 1.00 0.00 C ATOM 0 H VAL A 88 -3.319 7.045 -10.167 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.695 5.602 -10.153 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.192 6.257 -8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.484 7.437 -7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.916 6.117 -8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.461 7.711 -8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.418 7.312 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.859 7.482 -7.248 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.413 5.886 -6.599 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.614 3.368 -10.051 1.00 0.00 N ATOM 1284 CA ARG A 89 -2.083 1.881 -10.146 1.00 0.00 C ATOM 1285 C ARG A 89 -1.366 0.875 -9.130 1.00 0.00 C ATOM 1286 O ARG A 89 -0.206 0.481 -9.334 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.250 1.316 -11.695 1.00 0.00 C ATOM 1288 CG ARG A 89 -1.063 1.385 -12.688 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.532 0.816 -13.993 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.463 0.842 -15.076 1.00 0.00 N ATOM 1291 CZ ARG A 89 -0.551 0.491 -16.450 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -1.695 0.037 -17.062 1.00 0.00 N ATOM 1293 NH2 ARG A 89 0.541 0.610 -17.195 1.00 0.00 N ATOM 0 H ARG A 89 -0.679 3.503 -10.436 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.105 1.909 -9.769 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.551 0.271 -11.626 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.080 1.858 -12.148 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.730 2.415 -12.817 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.212 0.820 -12.308 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.858 -0.212 -13.838 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.401 1.377 -14.336 1.00 0.00 H new ATOM 0 HE ARG A 89 0.456 1.160 -14.769 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.555 -0.066 -16.523 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.684 -0.197 -18.055 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.409 0.945 -16.777 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.512 0.366 -18.185 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.156 0.473 -8.038 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.741 -0.421 -6.864 1.00 0.00 C ATOM 1309 C LEU A 90 -2.280 -1.924 -6.961 1.00 0.00 C ATOM 1310 O LEU A 90 -3.445 -2.169 -7.425 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.069 0.312 -5.410 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.534 0.785 -4.991 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.380 -0.337 -4.370 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -3.412 1.949 -4.057 1.00 0.00 C ATOM 0 H LEU A 90 -3.127 0.775 -7.955 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.659 -0.535 -6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.731 -0.374 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.431 1.194 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.065 1.080 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.364 0.052 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.490 -1.149 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.887 -0.711 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.406 2.284 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.852 1.648 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.888 2.764 -4.557 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.376 -2.902 -6.477 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.604 -4.394 -6.422 1.00 0.00 C ATOM 1328 C TYR A 91 -1.471 -4.935 -4.950 1.00 0.00 C ATOM 1329 O TYR A 91 -0.314 -4.991 -4.372 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.639 -5.186 -7.487 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.979 -6.699 -7.864 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.240 -7.095 -8.357 1.00 0.00 C ATOM 1333 CD2 TYR A 91 -0.029 -7.680 -7.684 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.527 -8.379 -8.639 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.294 -8.995 -7.975 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.549 -9.353 -8.454 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.818 -10.670 -8.759 1.00 0.00 O ATOM 0 H TYR A 91 -0.459 -2.642 -6.114 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.629 -4.595 -6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.629 -4.611 -8.413 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.376 -5.166 -7.089 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.000 -6.343 -8.513 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.946 -7.409 -7.306 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.506 -8.651 -9.005 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.468 -9.747 -7.833 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.027 -11.217 -8.572 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.691 -5.384 -4.416 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.942 -5.882 -2.950 1.00 0.00 C ATOM 1349 C VAL A 92 -3.153 -7.512 -2.789 1.00 0.00 C ATOM 1350 O VAL A 92 -3.572 -8.210 -3.773 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.139 -5.005 -2.140 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.832 -3.512 -1.998 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.569 -5.197 -2.709 1.00 0.00 C ATOM 0 H VAL A 92 -3.539 -5.416 -4.982 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.997 -5.671 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.121 -5.445 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.648 -3.022 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.906 -3.383 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.723 -3.067 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.274 -4.599 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.592 -4.878 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.848 -6.249 -2.645 1.00 0.00 H new ATOM 1363 N MET A 93 -2.925 -8.010 -1.470 1.00 0.00 N ATOM 1364 CA MET A 93 -2.958 -9.491 -1.000 1.00 0.00 C ATOM 1365 C MET A 93 -3.923 -9.747 0.245 1.00 0.00 C ATOM 1366 O MET A 93 -3.659 -9.249 1.386 1.00 0.00 O ATOM 1367 CB MET A 93 -1.449 -10.195 -0.879 1.00 0.00 C ATOM 1368 CG MET A 93 -0.336 -9.626 0.112 1.00 0.00 C ATOM 1369 SD MET A 93 -0.573 -10.078 1.849 1.00 0.00 S ATOM 1370 CE MET A 93 0.895 -9.365 2.587 1.00 0.00 C ATOM 0 H MET A 93 -2.711 -7.376 -0.700 1.00 0.00 H new ATOM 0 HA MET A 93 -3.432 -10.040 -1.814 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.608 -11.239 -0.609 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.015 -10.187 -1.879 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.640 -9.986 -0.214 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.318 -8.539 0.032 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.894 -9.560 3.659 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.782 -9.812 2.137 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.903 -8.289 2.414 1.00 0.00 H new ATOM 1380 N ARG A 94 -5.065 -10.527 -0.038 1.00 0.00 N ATOM 1381 CA ARG A 94 -6.151 -10.946 0.961 1.00 0.00 C ATOM 1382 C ARG A 94 -6.276 -12.514 1.107 1.00 0.00 C ATOM 1383 O ARG A 94 -6.413 -13.250 0.091 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.597 -10.149 0.816 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.366 -10.135 -0.591 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.752 -9.421 -0.556 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.872 -10.224 0.147 1.00 0.00 N ATOM 1388 CZ ARG A 94 -12.268 -9.990 0.184 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.894 -8.947 -0.451 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -13.021 -10.838 0.875 1.00 0.00 N ATOM 0 H ARG A 94 -5.249 -10.880 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.788 -10.590 1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.277 -10.575 1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.426 -9.111 1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.735 -9.643 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.508 -11.163 -0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.639 -8.462 -0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.063 -9.208 -1.579 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.557 -11.046 0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.347 -8.278 -0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.906 -8.840 -0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.590 -11.627 1.357 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.031 -10.701 0.924 1.00 0.00 H new ATOM 1604 N SER B 8 2.988 9.526 5.588 1.00 0.00 N ATOM 1605 CA SER B 8 3.090 9.004 4.130 1.00 0.00 C ATOM 1606 C SER B 8 1.722 9.219 3.282 1.00 0.00 C ATOM 1607 O SER B 8 0.764 9.881 3.784 1.00 0.00 O ATOM 1608 CB SER B 8 3.556 7.462 4.134 1.00 0.00 C ATOM 1609 OG SER B 8 4.845 7.288 4.711 1.00 0.00 O ATOM 0 HA SER B 8 3.845 9.600 3.618 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.830 6.867 4.687 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.564 7.085 3.111 1.00 0.00 H new ATOM 0 HG SER B 8 4.990 6.339 4.907 1.00 0.00 H new ATOM 1615 N VAL B 9 1.685 8.654 1.946 1.00 0.00 N ATOM 1616 CA VAL B 9 0.516 8.721 0.947 1.00 0.00 C ATOM 1617 C VAL B 9 -0.086 7.226 0.810 1.00 0.00 C ATOM 1618 O VAL B 9 -0.948 6.903 1.601 1.00 0.00 O ATOM 1619 CB VAL B 9 0.937 9.441 -0.575 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.280 9.919 -1.367 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.904 10.666 -0.487 1.00 0.00 C ATOM 1622 OXT VAL B 9 0.334 6.448 -0.069 1.00 0.00 O ATOM 0 H VAL B 9 2.483 8.146 1.564 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.251 9.395 1.328 1.00 0.00 H new ATOM 0 HB VAL B 9 1.445 8.617 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.049 10.359 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -0.936 9.073 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.821 10.666 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL B 9 2.105 11.043 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.442 11.452 0.110 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.840 10.358 -0.020 1.00 0.00 H new