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 -65:sc= 0.566 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 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.032) 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+ 172:sc= 0 (180deg=-0.0757) 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 29:sc= 0.0145 USER MOD ----------------------------------------------------------------- ATOM 69 N GLU A 6 -6.066 -15.384 -2.615 1.00 0.00 N ATOM 70 CA GLU A 6 -6.855 -14.435 -3.555 1.00 0.00 C ATOM 71 C GLU A 6 -6.301 -12.955 -3.606 1.00 0.00 C ATOM 72 O GLU A 6 -6.222 -12.273 -2.562 1.00 0.00 O ATOM 73 CB GLU A 6 -8.498 -14.552 -3.424 1.00 0.00 C ATOM 74 CG GLU A 6 -9.194 -14.336 -1.994 1.00 0.00 C ATOM 75 CD GLU A 6 -10.729 -14.494 -1.999 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.441 -13.476 -2.207 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.219 -15.633 -1.767 1.00 0.00 O ATOM 0 HA GLU A 6 -6.648 -14.822 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.933 -13.827 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.785 -15.541 -3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.770 -15.049 -1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.945 -13.339 -1.630 1.00 0.00 H new ATOM 84 N TYR A 7 -5.909 -12.510 -4.884 1.00 0.00 N ATOM 85 CA TYR A 7 -5.291 -11.130 -5.224 1.00 0.00 C ATOM 86 C TYR A 7 -6.286 -10.179 -6.006 1.00 0.00 C ATOM 87 O TYR A 7 -7.126 -10.668 -6.841 1.00 0.00 O ATOM 88 CB TYR A 7 -3.920 -11.306 -6.063 1.00 0.00 C ATOM 89 CG TYR A 7 -2.723 -12.129 -5.434 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.649 -13.537 -5.537 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.682 -11.479 -4.794 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.586 -14.243 -5.025 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.597 -12.192 -4.269 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.557 -13.569 -4.395 1.00 0.00 C ATOM 95 OH TYR A 7 0.510 -14.272 -3.881 1.00 0.00 O ATOM 0 H TYR A 7 -6.013 -13.100 -5.710 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.075 -10.650 -4.269 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.176 -11.776 -7.013 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.546 -10.308 -6.291 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.447 -14.071 -6.030 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.707 -10.404 -4.698 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.555 -15.319 -5.115 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.205 -11.669 -3.768 1.00 0.00 H new ATOM 0 HH TYR A 7 1.146 -13.649 -3.472 1.00 0.00 H new ATOM 105 N GLU A 8 -6.173 -8.778 -5.696 1.00 0.00 N ATOM 106 CA GLU A 8 -7.050 -7.662 -6.309 1.00 0.00 C ATOM 107 C GLU A 8 -6.147 -6.452 -6.854 1.00 0.00 C ATOM 108 O GLU A 8 -5.172 -6.017 -6.174 1.00 0.00 O ATOM 109 CB GLU A 8 -8.211 -7.176 -5.229 1.00 0.00 C ATOM 110 CG GLU A 8 -9.514 -6.367 -5.742 1.00 0.00 C ATOM 111 CD GLU A 8 -10.576 -7.188 -6.545 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.464 -7.257 -7.794 1.00 0.00 O ATOM 113 OE2 GLU A 8 -11.517 -7.732 -5.913 1.00 0.00 O ATOM 0 H GLU A 8 -5.486 -8.421 -5.032 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.576 -8.060 -7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.567 -8.068 -4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.717 -6.553 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.007 -5.929 -4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.177 -5.541 -6.368 1.00 0.00 H new ATOM 120 N GLU A 9 -6.518 -5.953 -8.137 1.00 0.00 N ATOM 121 CA GLU A 9 -5.892 -4.759 -8.865 1.00 0.00 C ATOM 122 C GLU A 9 -6.856 -3.472 -8.887 1.00 0.00 C ATOM 123 O GLU A 9 -7.976 -3.528 -9.504 1.00 0.00 O ATOM 124 CB GLU A 9 -5.241 -5.145 -10.323 1.00 0.00 C ATOM 125 CG GLU A 9 -6.152 -5.820 -11.472 1.00 0.00 C ATOM 126 CD GLU A 9 -5.398 -6.127 -12.784 1.00 0.00 C ATOM 127 OE1 GLU A 9 -5.361 -5.243 -13.682 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.870 -7.263 -12.924 1.00 0.00 O ATOM 0 H GLU A 9 -7.266 -6.385 -8.680 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.032 -4.458 -8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.821 -4.230 -10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.407 -5.821 -10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.576 -6.747 -11.085 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.987 -5.156 -11.694 1.00 0.00 H new ATOM 135 N ILE A 10 -6.402 -2.339 -8.154 1.00 0.00 N ATOM 136 CA ILE A 10 -7.191 -0.999 -8.011 1.00 0.00 C ATOM 137 C ILE A 10 -6.400 0.211 -8.782 1.00 0.00 C ATOM 138 O ILE A 10 -5.140 0.270 -8.764 1.00 0.00 O ATOM 139 CB ILE A 10 -7.559 -0.663 -6.360 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.422 -1.849 -5.664 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.266 0.778 -6.066 1.00 0.00 C ATOM 142 CD1 ILE A 10 -8.053 -2.175 -4.176 1.00 0.00 C ATOM 0 H ILE A 10 -5.509 -2.329 -7.662 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.158 -1.093 -8.504 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.571 -0.607 -5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.477 -1.578 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.302 -2.756 -6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.451 0.881 -4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.608 1.581 -6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.212 0.836 -6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.690 -2.981 -3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.009 -2.484 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.203 -1.288 -3.561 1.00 0.00 H new ATOM 154 N THR A 11 -7.246 1.135 -9.457 1.00 0.00 N ATOM 155 CA THR A 11 -6.826 2.472 -10.095 1.00 0.00 C ATOM 156 C THR A 11 -7.434 3.725 -9.360 1.00 0.00 C ATOM 157 O THR A 11 -8.693 3.845 -9.183 1.00 0.00 O ATOM 158 CB THR A 11 -7.016 2.610 -11.698 1.00 0.00 C ATOM 159 OG1 THR A 11 -8.050 1.766 -12.242 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.693 2.472 -12.470 1.00 0.00 C ATOM 0 H THR A 11 -8.244 0.957 -9.566 1.00 0.00 H new ATOM 0 HA THR A 11 -5.747 2.455 -9.944 1.00 0.00 H new ATOM 0 HB THR A 11 -7.365 3.632 -11.846 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.109 1.903 -13.211 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.883 2.573 -13.539 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.002 3.251 -12.149 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.256 1.494 -12.270 1.00 0.00 H new ATOM 168 N LEU A 12 -6.457 4.631 -8.908 1.00 0.00 N ATOM 169 CA LEU A 12 -6.680 5.973 -8.223 1.00 0.00 C ATOM 170 C LEU A 12 -6.025 7.166 -9.018 1.00 0.00 C ATOM 171 O LEU A 12 -4.984 6.985 -9.729 1.00 0.00 O ATOM 172 CB LEU A 12 -6.140 5.983 -6.669 1.00 0.00 C ATOM 173 CG LEU A 12 -6.918 5.241 -5.500 1.00 0.00 C ATOM 174 CD1 LEU A 12 -6.009 5.185 -4.312 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.236 5.965 -5.069 1.00 0.00 C ATOM 0 H LEU A 12 -5.464 4.428 -9.020 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.760 6.116 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.131 5.571 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.053 7.029 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.199 4.254 -5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.516 4.680 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.104 4.637 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.745 6.198 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.715 5.403 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.001 6.970 -4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.912 6.028 -5.922 1.00 0.00 H new ATOM 284 N GLY A 20 -6.766 9.792 0.648 1.00 0.00 N ATOM 285 CA GLY A 20 -7.421 9.342 1.917 1.00 0.00 C ATOM 286 C GLY A 20 -6.902 8.024 2.538 1.00 0.00 C ATOM 287 O GLY A 20 -7.734 7.161 2.912 1.00 0.00 O ATOM 0 HA2 GLY A 20 -7.309 10.134 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.489 9.232 1.728 1.00 0.00 H new ATOM 291 N PHE A 21 -5.455 7.878 2.639 1.00 0.00 N ATOM 292 CA PHE A 21 -4.679 6.760 3.349 1.00 0.00 C ATOM 293 C PHE A 21 -3.148 7.238 3.679 1.00 0.00 C ATOM 294 O PHE A 21 -2.738 8.363 3.256 1.00 0.00 O ATOM 295 CB PHE A 21 -4.747 5.308 2.513 1.00 0.00 C ATOM 296 CG PHE A 21 -3.968 5.112 1.116 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.392 5.739 -0.085 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.864 4.263 1.054 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.731 5.524 -1.291 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.199 4.047 -0.159 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.636 4.677 -1.324 1.00 0.00 C ATOM 0 H PHE A 21 -4.828 8.560 2.213 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.168 6.566 4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.386 4.534 3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.800 5.099 2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.247 6.398 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.519 3.768 1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.069 6.013 -2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.343 3.389 -0.193 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.118 4.504 -2.256 1.00 0.00 H new ATOM 311 N SER A 22 -2.341 6.381 4.526 1.00 0.00 N ATOM 312 CA SER A 22 -0.823 6.477 4.727 1.00 0.00 C ATOM 313 C SER A 22 -0.187 5.016 4.796 1.00 0.00 C ATOM 314 O SER A 22 -0.832 4.072 5.389 1.00 0.00 O ATOM 315 CB SER A 22 -0.433 7.330 5.996 1.00 0.00 C ATOM 316 OG SER A 22 -0.814 8.695 5.890 1.00 0.00 O ATOM 0 H SER A 22 -2.755 5.623 5.068 1.00 0.00 H new ATOM 0 HA SER A 22 -0.410 7.003 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.904 6.895 6.877 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.645 7.271 6.149 1.00 0.00 H new ATOM 0 HG SER A 22 -0.316 9.118 5.160 1.00 0.00 H new ATOM 322 N ILE A 23 1.108 4.829 4.180 1.00 0.00 N ATOM 323 CA ILE A 23 1.840 3.455 4.095 1.00 0.00 C ATOM 324 C ILE A 23 3.135 3.291 4.976 1.00 0.00 C ATOM 325 O ILE A 23 4.020 4.200 4.973 1.00 0.00 O ATOM 326 CB ILE A 23 2.025 2.816 2.582 1.00 0.00 C ATOM 327 CG1 ILE A 23 3.087 3.497 1.442 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.686 2.359 1.997 1.00 0.00 C ATOM 329 CD1 ILE A 23 2.976 4.998 0.935 1.00 0.00 C ATOM 0 H ILE A 23 1.633 5.594 3.756 1.00 0.00 H new ATOM 0 HA ILE A 23 1.093 2.827 4.580 1.00 0.00 H new ATOM 0 HB ILE A 23 2.658 1.962 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.091 3.383 1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.031 2.867 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.846 1.944 1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.249 1.597 2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.008 3.210 1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.765 5.197 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.005 5.152 0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.082 5.677 1.781 1.00 0.00 H new ATOM 341 N ALA A 24 3.204 2.067 5.754 1.00 0.00 N ATOM 342 CA ALA A 24 4.374 1.666 6.636 1.00 0.00 C ATOM 343 C ALA A 24 5.222 0.520 5.960 1.00 0.00 C ATOM 344 O ALA A 24 4.705 -0.614 5.690 1.00 0.00 O ATOM 345 CB ALA A 24 3.896 1.302 8.091 1.00 0.00 C ATOM 0 H ALA A 24 2.450 1.380 5.758 1.00 0.00 H new ATOM 0 HA ALA A 24 5.038 2.524 6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.757 1.019 8.697 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.405 2.166 8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.195 0.469 8.046 1.00 0.00 H new ATOM 351 N GLY A 25 6.532 0.883 5.691 1.00 0.00 N ATOM 352 CA GLY A 25 7.546 0.038 4.967 1.00 0.00 C ATOM 353 C GLY A 25 8.970 0.583 5.062 1.00 0.00 C ATOM 354 O GLY A 25 9.159 1.832 5.256 1.00 0.00 O ATOM 0 H GLY A 25 6.910 1.785 5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.524 -0.972 5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.263 -0.036 3.917 1.00 0.00 H new ATOM 358 N GLY A 26 9.980 -0.369 4.892 1.00 0.00 N ATOM 359 CA GLY A 26 11.434 -0.035 5.131 1.00 0.00 C ATOM 360 C GLY A 26 12.464 -1.155 5.012 1.00 0.00 C ATOM 361 O GLY A 26 12.211 -2.312 5.451 1.00 0.00 O ATOM 0 H GLY A 26 9.811 -1.332 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.714 0.750 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.517 0.388 6.132 1.00 0.00 H new ATOM 365 N THR A 27 13.660 -0.757 4.394 1.00 0.00 N ATOM 366 CA THR A 27 15.002 -1.548 4.392 1.00 0.00 C ATOM 367 C THR A 27 16.060 -1.000 5.448 1.00 0.00 C ATOM 368 O THR A 27 16.803 -1.825 6.067 1.00 0.00 O ATOM 369 CB THR A 27 15.697 -1.785 2.956 1.00 0.00 C ATOM 370 OG1 THR A 27 15.698 -0.616 2.117 1.00 0.00 O ATOM 371 CG2 THR A 27 15.144 -3.013 2.225 1.00 0.00 C ATOM 0 H THR A 27 13.729 0.121 3.880 1.00 0.00 H new ATOM 0 HA THR A 27 14.674 -2.538 4.709 1.00 0.00 H new ATOM 0 HB THR A 27 16.743 -1.994 3.180 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.134 -0.825 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.648 -3.123 1.265 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.316 -3.904 2.829 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.074 -2.887 2.060 1.00 0.00 H new ATOM 379 N ASP A 28 16.070 0.419 5.653 1.00 0.00 N ATOM 380 CA ASP A 28 16.954 1.171 6.659 1.00 0.00 C ATOM 381 C ASP A 28 16.156 1.653 7.965 1.00 0.00 C ATOM 382 O ASP A 28 16.725 1.594 9.098 1.00 0.00 O ATOM 383 CB ASP A 28 17.779 2.386 5.990 1.00 0.00 C ATOM 384 CG ASP A 28 18.921 1.973 5.021 1.00 0.00 C ATOM 385 OD1 ASP A 28 20.072 1.796 5.490 1.00 0.00 O ATOM 386 OD2 ASP A 28 18.656 1.846 3.801 1.00 0.00 O ATOM 0 H ASP A 28 15.465 1.045 5.121 1.00 0.00 H new ATOM 0 HA ASP A 28 17.687 0.436 6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.079 3.021 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.207 2.993 6.788 1.00 0.00 H new ATOM 391 N ASN A 29 14.791 2.097 7.761 1.00 0.00 N ATOM 392 CA ASN A 29 13.832 2.608 8.810 1.00 0.00 C ATOM 393 C ASN A 29 12.734 1.414 9.240 1.00 0.00 C ATOM 394 O ASN A 29 11.935 0.991 8.348 1.00 0.00 O ATOM 395 CB ASN A 29 13.147 3.990 8.294 1.00 0.00 C ATOM 396 CG ASN A 29 12.459 4.891 9.378 1.00 0.00 C ATOM 397 OD1 ASN A 29 11.270 4.730 9.674 1.00 0.00 O ATOM 398 ND2 ASN A 29 13.210 5.845 9.937 1.00 0.00 N ATOM 0 H ASN A 29 14.368 2.090 6.833 1.00 0.00 H new ATOM 0 HA ASN A 29 14.367 2.851 9.728 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.914 4.584 7.797 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.401 3.738 7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.805 6.470 10.633 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.188 5.947 9.667 1.00 0.00 H new ATOM 501 N SER A 37 9.208 -6.069 4.602 1.00 0.00 N ATOM 502 CA SER A 37 7.853 -5.970 3.824 1.00 0.00 C ATOM 503 C SER A 37 6.966 -4.667 4.143 1.00 0.00 C ATOM 504 O SER A 37 6.947 -4.179 5.321 1.00 0.00 O ATOM 505 CB SER A 37 7.014 -7.298 4.018 1.00 0.00 C ATOM 506 OG SER A 37 7.662 -8.431 3.439 1.00 0.00 O ATOM 0 HA SER A 37 8.130 -5.852 2.776 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.857 -7.475 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.030 -7.174 3.567 1.00 0.00 H new ATOM 0 HG SER A 37 7.113 -9.230 3.582 1.00 0.00 H new ATOM 512 N ILE A 38 6.237 -4.111 3.019 1.00 0.00 N ATOM 513 CA ILE A 38 5.331 -2.847 3.053 1.00 0.00 C ATOM 514 C ILE A 38 3.784 -3.294 3.229 1.00 0.00 C ATOM 515 O ILE A 38 3.259 -4.129 2.442 1.00 0.00 O ATOM 516 CB ILE A 38 5.535 -1.757 1.720 1.00 0.00 C ATOM 517 CG1 ILE A 38 7.002 -1.667 0.910 1.00 0.00 C ATOM 518 CG2 ILE A 38 5.003 -0.281 1.979 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.407 -1.773 1.663 1.00 0.00 C ATOM 0 H ILE A 38 6.276 -4.535 2.092 1.00 0.00 H new ATOM 0 HA ILE A 38 5.654 -2.265 3.916 1.00 0.00 H new ATOM 0 HB ILE A 38 4.887 -2.299 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.991 -2.455 0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.005 -0.717 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.173 0.328 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.936 -0.312 2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.535 0.154 2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.216 -1.688 0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.490 -0.969 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.475 -2.734 2.172 1.00 0.00 H new ATOM 531 N PHE A 39 3.124 -2.697 4.328 1.00 0.00 N ATOM 532 CA PHE A 39 1.674 -2.938 4.816 1.00 0.00 C ATOM 533 C PHE A 39 0.941 -1.606 5.337 1.00 0.00 C ATOM 534 O PHE A 39 1.631 -0.581 5.706 1.00 0.00 O ATOM 535 CB PHE A 39 1.516 -4.255 5.850 1.00 0.00 C ATOM 536 CG PHE A 39 2.511 -4.469 7.072 1.00 0.00 C ATOM 537 CD1 PHE A 39 3.694 -5.217 6.912 1.00 0.00 C ATOM 538 CD2 PHE A 39 2.226 -3.972 8.352 1.00 0.00 C ATOM 539 CE1 PHE A 39 4.552 -5.443 7.978 1.00 0.00 C ATOM 540 CE2 PHE A 39 3.087 -4.210 9.414 1.00 0.00 C ATOM 541 CZ PHE A 39 4.246 -4.940 9.225 1.00 0.00 C ATOM 0 H PHE A 39 3.604 -2.014 4.914 1.00 0.00 H new ATOM 0 HA PHE A 39 1.121 -3.226 3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.508 -4.215 6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.572 -5.152 5.233 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.937 -5.622 5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.326 -3.397 8.513 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.458 -6.012 7.832 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.850 -3.823 10.394 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.913 -5.117 10.056 1.00 0.00 H new ATOM 551 N ILE A 40 -0.506 -1.642 5.330 1.00 0.00 N ATOM 552 CA ILE A 40 -1.470 -0.505 5.763 1.00 0.00 C ATOM 553 C ILE A 40 -1.702 -0.515 7.347 1.00 0.00 C ATOM 554 O ILE A 40 -1.775 -1.600 8.003 1.00 0.00 O ATOM 555 CB ILE A 40 -2.978 -0.513 4.955 1.00 0.00 C ATOM 556 CG1 ILE A 40 -3.046 -1.189 3.451 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.742 0.903 4.965 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.157 -0.615 2.310 1.00 0.00 C ATOM 0 H ILE A 40 -1.012 -2.471 5.020 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.968 0.416 5.468 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.517 -1.213 5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.799 -2.245 3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.082 -1.136 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.688 0.810 4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.934 1.206 5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.122 1.654 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.331 -1.180 1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.409 0.432 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.107 -0.695 2.592 1.00 0.00 H new ATOM 570 N THR A 41 -1.841 0.767 7.876 1.00 0.00 N ATOM 571 CA THR A 41 -2.043 1.172 9.357 1.00 0.00 C ATOM 572 C THR A 41 -2.920 2.464 9.544 1.00 0.00 C ATOM 573 O THR A 41 -3.647 2.547 10.596 1.00 0.00 O ATOM 574 CB THR A 41 -0.710 1.232 10.305 1.00 0.00 C ATOM 575 OG1 THR A 41 0.414 1.835 9.647 1.00 0.00 O ATOM 576 CG2 THR A 41 -0.328 -0.145 10.881 1.00 0.00 C ATOM 0 H THR A 41 -1.816 1.585 7.268 1.00 0.00 H new ATOM 0 HA THR A 41 -2.601 0.313 9.729 1.00 0.00 H new ATOM 0 HB THR A 41 -0.983 1.875 11.142 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.182 1.848 10.256 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.563 -0.045 11.501 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.150 -0.527 11.486 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.126 -0.838 10.064 1.00 0.00 H new ATOM 584 N LYS A 42 -2.906 3.483 8.478 1.00 0.00 N ATOM 585 CA LYS A 42 -3.709 4.754 8.557 1.00 0.00 C ATOM 586 C LYS A 42 -4.701 4.883 7.319 1.00 0.00 C ATOM 587 O LYS A 42 -4.283 4.756 6.121 1.00 0.00 O ATOM 588 CB LYS A 42 -2.714 6.036 8.750 1.00 0.00 C ATOM 589 CG LYS A 42 -3.201 7.298 9.568 1.00 0.00 C ATOM 590 CD LYS A 42 -4.041 8.345 8.742 1.00 0.00 C ATOM 591 CE LYS A 42 -4.350 9.631 9.526 1.00 0.00 C ATOM 592 NZ LYS A 42 -5.447 9.505 10.573 1.00 0.00 N ATOM 0 H LYS A 42 -2.356 3.394 7.624 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.351 4.728 9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.804 5.671 9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.435 6.383 7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.802 6.956 10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.328 7.802 9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.495 8.603 7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.978 7.884 8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.437 9.965 10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.634 10.410 8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.582 10.421 11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.335 9.219 10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.175 8.789 11.276 1.00 0.00 H new ATOM 606 N ILE A 43 -6.048 5.066 7.695 1.00 0.00 N ATOM 607 CA ILE A 43 -7.221 5.363 6.783 1.00 0.00 C ATOM 608 C ILE A 43 -7.920 6.726 7.288 1.00 0.00 C ATOM 609 O ILE A 43 -8.257 6.857 8.511 1.00 0.00 O ATOM 610 CB ILE A 43 -8.314 4.004 6.615 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.665 2.630 5.939 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.790 4.276 6.031 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.961 2.696 4.505 1.00 0.00 C ATOM 0 H ILE A 43 -6.335 5.005 8.672 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.869 5.521 5.764 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.468 3.817 7.678 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.930 2.240 6.643 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.465 1.893 5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.343 3.338 5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.315 4.977 6.680 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.713 4.697 5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.600 1.705 4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.681 3.038 3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.121 3.390 4.543 1.00 0.00 H new ATOM 625 N ILE A 44 -8.122 7.711 6.286 1.00 0.00 N ATOM 626 CA ILE A 44 -8.908 9.035 6.464 1.00 0.00 C ATOM 627 C ILE A 44 -10.567 8.788 6.338 1.00 0.00 C ATOM 628 O ILE A 44 -10.980 8.076 5.385 1.00 0.00 O ATOM 629 CB ILE A 44 -8.275 10.311 5.482 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.829 10.820 5.896 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.158 11.594 5.256 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.648 10.009 5.403 1.00 0.00 C ATOM 0 H ILE A 44 -7.746 7.605 5.344 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.755 9.390 7.483 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.253 9.763 4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.713 11.842 5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.782 10.860 6.984 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.621 12.298 4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.094 11.311 4.774 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.371 12.063 6.217 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.722 10.464 5.755 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.721 8.991 5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.650 9.988 4.313 1.00 0.00 H new ATOM 644 N PRO A 45 -11.536 9.421 7.350 1.00 0.00 N ATOM 645 CA PRO A 45 -13.093 9.273 7.289 1.00 0.00 C ATOM 646 C PRO A 45 -13.874 9.968 6.024 1.00 0.00 C ATOM 647 O PRO A 45 -15.005 9.498 5.665 1.00 0.00 O ATOM 648 CB PRO A 45 -13.572 9.858 8.679 1.00 0.00 C ATOM 649 CG PRO A 45 -12.337 9.933 9.549 1.00 0.00 C ATOM 650 CD PRO A 45 -11.190 10.243 8.618 1.00 0.00 C ATOM 0 HA PRO A 45 -13.348 8.227 7.116 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.021 10.843 8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.329 9.218 9.131 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.442 10.707 10.310 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.171 8.992 10.073 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.123 11.309 8.402 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.232 9.943 9.044 1.00 0.00 H new ATOM 658 N GLY A 46 -13.200 11.050 5.377 1.00 0.00 N ATOM 659 CA GLY A 46 -13.725 11.804 4.180 1.00 0.00 C ATOM 660 C GLY A 46 -12.716 11.992 3.003 1.00 0.00 C ATOM 661 O GLY A 46 -12.641 13.126 2.456 1.00 0.00 O ATOM 0 H GLY A 46 -12.293 11.392 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.604 11.282 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.057 12.788 4.510 1.00 0.00 H new ATOM 665 N GLY A 47 -11.931 10.851 2.631 1.00 0.00 N ATOM 666 CA GLY A 47 -10.972 10.783 1.453 1.00 0.00 C ATOM 667 C GLY A 47 -11.506 10.036 0.177 1.00 0.00 C ATOM 668 O GLY A 47 -12.685 9.575 0.138 1.00 0.00 O ATOM 0 H GLY A 47 -11.968 9.977 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.703 11.800 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.057 10.291 1.782 1.00 0.00 H new ATOM 672 N ALA A 48 -10.565 9.937 -0.881 1.00 0.00 N ATOM 673 CA ALA A 48 -10.768 9.319 -2.275 1.00 0.00 C ATOM 674 C ALA A 48 -10.660 7.716 -2.353 1.00 0.00 C ATOM 675 O ALA A 48 -11.410 7.104 -3.136 1.00 0.00 O ATOM 676 CB ALA A 48 -9.828 10.021 -3.309 1.00 0.00 C ATOM 0 H ALA A 48 -9.618 10.301 -0.770 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.810 9.509 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.976 9.579 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.062 11.085 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.790 9.889 -3.005 1.00 0.00 H new ATOM 682 N ALA A 49 -9.702 7.061 -1.491 1.00 0.00 N ATOM 683 CA ALA A 49 -9.461 5.530 -1.370 1.00 0.00 C ATOM 684 C ALA A 49 -10.492 4.720 -0.431 1.00 0.00 C ATOM 685 O ALA A 49 -10.695 3.468 -0.637 1.00 0.00 O ATOM 686 CB ALA A 49 -8.002 5.261 -0.983 1.00 0.00 C ATOM 0 H ALA A 49 -9.090 7.595 -0.874 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.667 5.128 -2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.840 4.186 -0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.341 5.670 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.786 5.736 -0.026 1.00 0.00 H new ATOM 692 N ALA A 50 -11.171 5.490 0.581 1.00 0.00 N ATOM 693 CA ALA A 50 -12.224 4.988 1.570 1.00 0.00 C ATOM 694 C ALA A 50 -13.728 5.028 0.989 1.00 0.00 C ATOM 695 O ALA A 50 -14.497 4.048 1.211 1.00 0.00 O ATOM 696 CB ALA A 50 -12.088 5.753 2.938 1.00 0.00 C ATOM 0 H ALA A 50 -10.977 6.483 0.707 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.025 3.930 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.842 5.388 3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.095 5.581 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.232 6.821 2.774 1.00 0.00 H new ATOM 702 N GLN A 51 -14.101 6.195 0.216 1.00 0.00 N ATOM 703 CA GLN A 51 -15.451 6.453 -0.478 1.00 0.00 C ATOM 704 C GLN A 51 -15.531 5.941 -2.005 1.00 0.00 C ATOM 705 O GLN A 51 -16.433 5.113 -2.310 1.00 0.00 O ATOM 706 CB GLN A 51 -15.929 7.989 -0.359 1.00 0.00 C ATOM 707 CG GLN A 51 -16.113 8.567 1.096 1.00 0.00 C ATOM 708 CD GLN A 51 -16.834 9.944 1.180 1.00 0.00 C ATOM 709 OE1 GLN A 51 -18.071 10.009 1.279 1.00 0.00 O ATOM 710 NE2 GLN A 51 -16.057 11.047 1.197 1.00 0.00 N ATOM 0 H GLN A 51 -13.449 6.966 0.076 1.00 0.00 H new ATOM 0 HA GLN A 51 -16.153 5.835 0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.203 8.612 -0.882 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.877 8.091 -0.887 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.675 7.845 1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.130 8.661 1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.044 10.959 1.114 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.482 11.969 1.293 1.00 0.00 H new ATOM 719 N ASP A 52 -14.541 6.448 -2.951 1.00 0.00 N ATOM 720 CA ASP A 52 -14.513 6.193 -4.467 1.00 0.00 C ATOM 721 C ASP A 52 -13.681 4.915 -4.996 1.00 0.00 C ATOM 722 O ASP A 52 -14.134 4.272 -5.996 1.00 0.00 O ATOM 723 CB ASP A 52 -14.088 7.523 -5.237 1.00 0.00 C ATOM 724 CG ASP A 52 -15.194 8.604 -5.393 1.00 0.00 C ATOM 725 OD1 ASP A 52 -15.310 9.477 -4.497 1.00 0.00 O ATOM 726 OD2 ASP A 52 -15.922 8.576 -6.417 1.00 0.00 O ATOM 0 H ASP A 52 -13.765 7.035 -2.646 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.540 5.913 -4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.244 7.969 -4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.735 7.247 -6.231 1.00 0.00 H new ATOM 731 N GLY A 53 -12.497 4.532 -4.270 1.00 0.00 N ATOM 732 CA GLY A 53 -11.491 3.443 -4.702 1.00 0.00 C ATOM 733 C GLY A 53 -11.795 1.967 -4.284 1.00 0.00 C ATOM 734 O GLY A 53 -11.736 1.066 -5.148 1.00 0.00 O ATOM 0 H GLY A 53 -12.239 4.975 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.409 3.474 -5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.514 3.711 -4.301 1.00 0.00 H new ATOM 738 N ARG A 54 -12.131 1.747 -2.906 1.00 0.00 N ATOM 739 CA ARG A 54 -12.476 0.409 -2.135 1.00 0.00 C ATOM 740 C ARG A 54 -11.231 -0.398 -1.520 1.00 0.00 C ATOM 741 O ARG A 54 -10.969 -1.625 -1.828 1.00 0.00 O ATOM 742 CB ARG A 54 -13.669 -0.512 -2.733 1.00 0.00 C ATOM 743 CG ARG A 54 -15.100 0.042 -2.581 1.00 0.00 C ATOM 744 CD ARG A 54 -16.141 -0.914 -3.164 1.00 0.00 C ATOM 745 NE ARG A 54 -17.560 -0.388 -3.006 1.00 0.00 N ATOM 746 CZ ARG A 54 -18.800 -0.991 -3.359 1.00 0.00 C ATOM 747 NH1 ARG A 54 -18.920 -2.229 -3.941 1.00 0.00 N ATOM 748 NH2 ARG A 54 -19.913 -0.315 -3.110 1.00 0.00 N ATOM 0 H ARG A 54 -12.171 2.542 -2.268 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.957 0.829 -1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.476 -0.676 -3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.626 -1.487 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.314 0.213 -1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.172 1.008 -3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.931 -1.075 -4.221 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.058 -1.883 -2.671 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.634 0.537 -2.583 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -18.086 -2.779 -4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.843 -2.599 -4.167 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.863 0.608 -2.678 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.819 -0.718 -3.350 1.00 0.00 H new ATOM 762 N LEU A 55 -10.369 0.418 -0.740 1.00 0.00 N ATOM 763 CA LEU A 55 -9.217 -0.019 0.107 1.00 0.00 C ATOM 764 C LEU A 55 -9.510 0.189 1.674 1.00 0.00 C ATOM 765 O LEU A 55 -9.939 1.298 2.134 1.00 0.00 O ATOM 766 CB LEU A 55 -7.868 0.713 -0.441 1.00 0.00 C ATOM 767 CG LEU A 55 -6.481 0.630 0.309 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.487 -0.287 -0.373 1.00 0.00 C ATOM 769 CD2 LEU A 55 -5.961 2.008 0.398 1.00 0.00 C ATOM 0 H LEU A 55 -10.494 1.430 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.063 -1.094 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.698 0.335 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.107 1.772 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.630 0.195 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.555 -0.299 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.896 -1.296 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.293 0.073 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.999 2.002 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.834 2.415 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.665 2.627 0.954 1.00 0.00 H new ATOM 781 N ARG A 56 -9.288 -0.961 2.419 1.00 0.00 N ATOM 782 CA ARG A 56 -9.266 -1.112 3.943 1.00 0.00 C ATOM 783 C ARG A 56 -7.776 -1.444 4.458 1.00 0.00 C ATOM 784 O ARG A 56 -6.914 -1.947 3.666 1.00 0.00 O ATOM 785 CB ARG A 56 -10.328 -2.232 4.449 1.00 0.00 C ATOM 786 CG ARG A 56 -11.807 -1.874 4.400 1.00 0.00 C ATOM 787 CD ARG A 56 -12.571 -3.054 4.913 1.00 0.00 C ATOM 788 NE ARG A 56 -14.071 -2.814 5.001 1.00 0.00 N ATOM 789 CZ ARG A 56 -15.095 -3.636 5.553 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.872 -4.848 6.158 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.346 -3.200 5.487 1.00 0.00 N ATOM 0 H ARG A 56 -9.111 -1.852 1.956 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.572 -0.160 4.377 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.180 -3.130 3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.079 -2.491 5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.009 -0.992 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.110 -1.634 3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.385 -3.908 4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.195 -3.319 5.901 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.392 -1.931 4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.923 -5.213 6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.656 -5.383 6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.550 -2.301 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.104 -3.764 5.873 1.00 0.00 H new ATOM 805 N VAL A 57 -7.500 -1.193 5.834 1.00 0.00 N ATOM 806 CA VAL A 57 -6.134 -1.532 6.654 1.00 0.00 C ATOM 807 C VAL A 57 -5.607 -3.050 6.554 1.00 0.00 C ATOM 808 O VAL A 57 -4.368 -3.329 6.592 1.00 0.00 O ATOM 809 CB VAL A 57 -6.097 -1.044 8.231 1.00 0.00 C ATOM 810 CG1 VAL A 57 -5.814 0.420 8.351 1.00 0.00 C ATOM 811 CG2 VAL A 57 -7.379 -1.375 9.045 1.00 0.00 C ATOM 0 H VAL A 57 -8.196 -0.751 6.434 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.436 -0.905 6.098 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.283 -1.625 8.665 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.798 0.702 9.404 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.846 0.642 7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.591 0.984 7.836 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.263 -1.017 10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.238 -0.887 8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.536 -2.454 9.054 1.00 0.00 H new ATOM 821 N ASN A 58 -6.656 -3.959 6.376 1.00 0.00 N ATOM 822 CA ASN A 58 -6.603 -5.422 6.276 1.00 0.00 C ATOM 823 C ASN A 58 -6.432 -5.937 4.700 1.00 0.00 C ATOM 824 O ASN A 58 -6.459 -7.191 4.450 1.00 0.00 O ATOM 825 CB ASN A 58 -7.924 -5.953 7.047 1.00 0.00 C ATOM 826 CG ASN A 58 -7.893 -7.426 7.574 1.00 0.00 C ATOM 827 OD1 ASN A 58 -7.455 -7.686 8.700 1.00 0.00 O ATOM 828 ND2 ASN A 58 -8.390 -8.369 6.765 1.00 0.00 N ATOM 0 H ASN A 58 -7.616 -3.624 6.297 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.718 -5.847 6.750 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.110 -5.293 7.895 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.774 -5.852 6.372 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.416 -9.342 7.071 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.742 -8.115 5.842 1.00 0.00 H new ATOM 835 N ASP A 59 -6.176 -4.911 3.651 1.00 0.00 N ATOM 836 CA ASP A 59 -5.956 -5.251 2.155 1.00 0.00 C ATOM 837 C ASP A 59 -4.447 -5.530 1.738 1.00 0.00 C ATOM 838 O ASP A 59 -4.194 -6.424 0.862 1.00 0.00 O ATOM 839 CB ASP A 59 -6.672 -4.236 1.169 1.00 0.00 C ATOM 840 CG ASP A 59 -8.180 -4.510 0.927 1.00 0.00 C ATOM 841 OD1 ASP A 59 -9.019 -4.020 1.716 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.509 -5.201 -0.069 1.00 0.00 O ATOM 0 H ASP A 59 -6.129 -3.912 3.852 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.456 -6.213 2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.561 -3.227 1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.155 -4.259 0.210 1.00 0.00 H new ATOM 847 N SER A 60 -3.403 -4.731 2.407 1.00 0.00 N ATOM 848 CA SER A 60 -1.818 -4.830 2.281 1.00 0.00 C ATOM 849 C SER A 60 -1.229 -4.947 0.800 1.00 0.00 C ATOM 850 O SER A 60 -1.515 -5.955 0.078 1.00 0.00 O ATOM 851 CB SER A 60 -1.191 -5.919 3.269 1.00 0.00 C ATOM 852 OG SER A 60 -1.495 -5.640 4.630 1.00 0.00 O ATOM 0 H SER A 60 -3.667 -3.991 3.057 1.00 0.00 H new ATOM 0 HA SER A 60 -1.485 -3.845 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.570 -6.907 3.008 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.109 -5.948 3.138 1.00 0.00 H new ATOM 0 HG SER A 60 -1.096 -6.328 5.202 1.00 0.00 H new ATOM 858 N ILE A 61 -0.375 -3.900 0.374 1.00 0.00 N ATOM 859 CA ILE A 61 0.223 -3.779 -1.065 1.00 0.00 C ATOM 860 C ILE A 61 1.590 -4.646 -1.192 1.00 0.00 C ATOM 861 O ILE A 61 2.501 -4.545 -0.321 1.00 0.00 O ATOM 862 CB ILE A 61 0.442 -2.167 -1.628 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.852 -1.209 -1.344 1.00 0.00 C ATOM 864 CG2 ILE A 61 0.725 -2.156 -3.224 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.607 0.348 -1.204 1.00 0.00 C ATOM 0 H ILE A 61 -0.088 -3.140 0.992 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.533 -4.198 -1.729 1.00 0.00 H new ATOM 0 HB ILE A 61 1.294 -1.773 -1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.566 -1.363 -2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.329 -1.556 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.861 -1.129 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.626 -2.731 -3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.122 -2.601 -3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.556 0.850 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.072 0.536 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.168 0.731 -2.125 1.00 0.00 H new ATOM 877 N LEU A 62 1.638 -5.495 -2.338 1.00 0.00 N ATOM 878 CA LEU A 62 2.877 -6.220 -2.841 1.00 0.00 C ATOM 879 C LEU A 62 3.613 -5.430 -3.975 1.00 0.00 C ATOM 880 O LEU A 62 4.872 -5.322 -3.931 1.00 0.00 O ATOM 881 CB LEU A 62 2.627 -7.798 -3.223 1.00 0.00 C ATOM 882 CG LEU A 62 1.558 -8.263 -4.322 1.00 0.00 C ATOM 883 CD1 LEU A 62 1.927 -9.616 -4.818 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.149 -8.349 -3.764 1.00 0.00 C ATOM 0 H LEU A 62 0.815 -5.676 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 62 3.554 -6.248 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.591 -8.198 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.359 -8.304 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 62 1.572 -7.517 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.203 -9.939 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.921 -9.581 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.928 -10.321 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.535 -8.668 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.125 -9.070 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.156 -7.370 -3.393 1.00 0.00 H new ATOM 896 N PHE A 63 2.766 -4.875 -5.017 1.00 0.00 N ATOM 897 CA PHE A 63 3.295 -4.159 -6.271 1.00 0.00 C ATOM 898 C PHE A 63 2.606 -2.811 -6.542 1.00 0.00 C ATOM 899 O PHE A 63 1.362 -2.755 -6.677 1.00 0.00 O ATOM 900 CB PHE A 63 3.317 -5.154 -7.580 1.00 0.00 C ATOM 901 CG PHE A 63 4.419 -6.293 -7.558 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.226 -7.493 -6.856 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.620 -6.121 -8.209 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.181 -8.473 -6.816 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.589 -7.081 -8.188 1.00 0.00 C ATOM 906 CZ PHE A 63 6.380 -8.278 -7.494 1.00 0.00 C ATOM 0 H PHE A 63 1.748 -4.926 -4.983 1.00 0.00 H new ATOM 0 HA PHE A 63 4.333 -3.900 -6.062 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.338 -5.623 -7.673 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.466 -4.547 -8.473 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.295 -7.648 -6.331 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.799 -5.203 -8.750 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.006 -9.385 -6.265 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.521 -6.917 -8.709 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.142 -9.043 -7.485 1.00 0.00 H new ATOM 916 N VAL A 64 3.457 -1.673 -6.591 1.00 0.00 N ATOM 917 CA VAL A 64 2.908 -0.226 -6.765 1.00 0.00 C ATOM 918 C VAL A 64 3.451 0.485 -8.033 1.00 0.00 C ATOM 919 O VAL A 64 4.607 0.509 -8.226 1.00 0.00 O ATOM 920 CB VAL A 64 2.899 0.643 -5.368 1.00 0.00 C ATOM 921 CG1 VAL A 64 4.110 1.395 -4.790 1.00 0.00 C ATOM 922 CG2 VAL A 64 1.547 1.065 -4.876 1.00 0.00 C ATOM 0 H VAL A 64 4.473 -1.726 -6.516 1.00 0.00 H new ATOM 0 HA VAL A 64 1.844 -0.313 -6.984 1.00 0.00 H new ATOM 0 HB VAL A 64 3.291 -0.229 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.824 1.884 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.918 0.689 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.447 2.145 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.657 1.631 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.065 1.690 -5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.935 0.182 -4.691 1.00 0.00 H new ATOM 932 N ASN A 65 2.503 1.097 -8.905 1.00 0.00 N ATOM 933 CA ASN A 65 2.733 1.729 -10.381 1.00 0.00 C ATOM 934 C ASN A 65 2.963 0.534 -11.521 1.00 0.00 C ATOM 935 O ASN A 65 3.123 0.818 -12.746 1.00 0.00 O ATOM 936 CB ASN A 65 4.010 2.840 -10.434 1.00 0.00 C ATOM 937 CG ASN A 65 3.993 3.936 -11.571 1.00 0.00 C ATOM 938 OD1 ASN A 65 2.934 4.404 -12.035 1.00 0.00 O ATOM 939 ND2 ASN A 65 5.183 4.328 -12.009 1.00 0.00 N ATOM 0 H ASN A 65 1.527 1.181 -8.622 1.00 0.00 H new ATOM 0 HA ASN A 65 1.821 2.276 -10.618 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.044 3.355 -9.474 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.939 2.277 -10.527 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.249 5.031 -12.745 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.031 3.926 -11.609 1.00 0.00 H new ATOM 946 N GLU A 66 2.847 -0.823 -11.024 1.00 0.00 N ATOM 947 CA GLU A 66 3.356 -2.190 -11.614 1.00 0.00 C ATOM 948 C GLU A 66 4.918 -2.493 -11.217 1.00 0.00 C ATOM 949 O GLU A 66 5.559 -3.471 -11.744 1.00 0.00 O ATOM 950 CB GLU A 66 2.967 -2.539 -13.175 1.00 0.00 C ATOM 951 CG GLU A 66 1.454 -2.839 -13.445 1.00 0.00 C ATOM 952 CD GLU A 66 1.129 -3.272 -14.895 1.00 0.00 C ATOM 953 OE1 GLU A 66 0.842 -2.386 -15.744 1.00 0.00 O ATOM 954 OE2 GLU A 66 1.130 -4.503 -15.173 1.00 0.00 O ATOM 0 H GLU A 66 2.361 -0.986 -10.142 1.00 0.00 H new ATOM 0 HA GLU A 66 2.742 -2.927 -11.097 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.270 -1.701 -13.802 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.552 -3.402 -13.492 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.126 -3.624 -12.764 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.873 -1.948 -13.208 1.00 0.00 H new ATOM 961 N VAL A 67 5.474 -1.671 -10.127 1.00 0.00 N ATOM 962 CA VAL A 67 6.900 -1.722 -9.585 1.00 0.00 C ATOM 963 C VAL A 67 7.057 -2.700 -8.377 1.00 0.00 C ATOM 964 O VAL A 67 6.093 -2.870 -7.547 1.00 0.00 O ATOM 965 CB VAL A 67 7.684 -0.227 -9.310 1.00 0.00 C ATOM 966 CG1 VAL A 67 7.599 0.728 -10.437 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.600 0.506 -7.876 1.00 0.00 C ATOM 0 H VAL A 67 4.905 -0.978 -9.641 1.00 0.00 H new ATOM 0 HA VAL A 67 7.449 -2.134 -10.432 1.00 0.00 H new ATOM 0 HB VAL A 67 8.695 -0.629 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.123 1.647 -10.175 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.058 0.288 -11.322 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.553 0.953 -10.645 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.163 1.439 -7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.558 0.720 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.022 -0.144 -7.110 1.00 0.00 H new ATOM 977 N ASP A 68 8.375 -3.166 -8.221 1.00 0.00 N ATOM 978 CA ASP A 68 8.853 -4.096 -7.177 1.00 0.00 C ATOM 979 C ASP A 68 9.292 -3.301 -5.850 1.00 0.00 C ATOM 980 O ASP A 68 10.395 -2.662 -5.774 1.00 0.00 O ATOM 981 CB ASP A 68 9.924 -5.124 -7.787 1.00 0.00 C ATOM 982 CG ASP A 68 10.378 -6.354 -6.927 1.00 0.00 C ATOM 983 OD1 ASP A 68 11.332 -6.203 -6.125 1.00 0.00 O ATOM 984 OD2 ASP A 68 9.793 -7.444 -7.087 1.00 0.00 O ATOM 0 H ASP A 68 9.123 -2.876 -8.852 1.00 0.00 H new ATOM 0 HA ASP A 68 8.039 -4.734 -6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.514 -5.510 -8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.817 -4.554 -8.042 1.00 0.00 H new ATOM 989 N VAL A 69 8.300 -3.329 -4.887 1.00 0.00 N ATOM 990 CA VAL A 69 8.396 -2.719 -3.456 1.00 0.00 C ATOM 991 C VAL A 69 8.877 -3.693 -2.289 1.00 0.00 C ATOM 992 O VAL A 69 9.352 -3.198 -1.235 1.00 0.00 O ATOM 993 CB VAL A 69 7.208 -1.669 -2.981 1.00 0.00 C ATOM 994 CG1 VAL A 69 7.172 -0.397 -3.737 1.00 0.00 C ATOM 995 CG2 VAL A 69 5.771 -2.233 -2.689 1.00 0.00 C ATOM 0 H VAL A 69 7.398 -3.772 -5.060 1.00 0.00 H new ATOM 0 HA VAL A 69 9.248 -2.063 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 69 7.571 -1.449 -1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.364 0.228 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.121 0.125 -3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.005 -0.606 -4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.114 -1.417 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.376 -2.706 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.825 -2.968 -1.886 1.00 0.00 H new ATOM 1005 N ARG A 70 8.813 -5.091 -2.551 1.00 0.00 N ATOM 1006 CA ARG A 70 9.167 -6.274 -1.551 1.00 0.00 C ATOM 1007 C ARG A 70 10.533 -6.153 -0.633 1.00 0.00 C ATOM 1008 O ARG A 70 10.599 -6.729 0.494 1.00 0.00 O ATOM 1009 CB ARG A 70 8.946 -7.738 -2.201 1.00 0.00 C ATOM 1010 CG ARG A 70 9.735 -8.164 -3.496 1.00 0.00 C ATOM 1011 CD ARG A 70 9.394 -9.600 -3.901 1.00 0.00 C ATOM 1012 NE ARG A 70 10.153 -10.051 -5.139 1.00 0.00 N ATOM 1013 CZ ARG A 70 10.199 -11.330 -5.764 1.00 0.00 C ATOM 1014 NH1 ARG A 70 9.531 -12.439 -5.308 1.00 0.00 N ATOM 1015 NH2 ARG A 70 10.938 -11.462 -6.857 1.00 0.00 N ATOM 0 H ARG A 70 8.515 -5.442 -3.461 1.00 0.00 H new ATOM 0 HA ARG A 70 8.408 -6.132 -0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.176 -8.471 -1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.884 -7.834 -2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.492 -7.485 -4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.807 -8.078 -3.317 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.623 -10.272 -3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.323 -9.677 -4.087 1.00 0.00 H new ATOM 0 HE ARG A 70 10.714 -9.328 -5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.955 -12.378 -4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.611 -13.324 -5.808 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.451 -10.661 -7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.993 -12.364 -7.330 1.00 0.00 H new ATOM 1029 N GLU A 71 11.577 -5.328 -1.189 1.00 0.00 N ATOM 1030 CA GLU A 71 12.904 -4.935 -0.594 1.00 0.00 C ATOM 1031 C GLU A 71 13.270 -3.451 -1.078 1.00 0.00 C ATOM 1032 O GLU A 71 14.021 -3.220 -2.109 1.00 0.00 O ATOM 1033 CB GLU A 71 14.075 -5.988 -0.888 1.00 0.00 C ATOM 1034 CG GLU A 71 14.199 -7.210 0.086 1.00 0.00 C ATOM 1035 CD GLU A 71 15.345 -8.193 -0.255 1.00 0.00 C ATOM 1036 OE1 GLU A 71 15.103 -9.158 -1.031 1.00 0.00 O ATOM 1037 OE2 GLU A 71 16.473 -8.015 0.281 1.00 0.00 O ATOM 0 H GLU A 71 11.463 -4.920 -2.117 1.00 0.00 H new ATOM 0 HA GLU A 71 12.807 -4.944 0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.937 -6.374 -1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 71 15.023 -5.451 -0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.348 -6.836 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.256 -7.757 0.083 1.00 0.00 H new ATOM 1044 N VAL A 72 12.577 -2.429 -0.378 1.00 0.00 N ATOM 1045 CA VAL A 72 12.731 -0.898 -0.579 1.00 0.00 C ATOM 1046 C VAL A 72 12.647 -0.123 0.831 1.00 0.00 C ATOM 1047 O VAL A 72 12.083 -0.665 1.804 1.00 0.00 O ATOM 1048 CB VAL A 72 11.682 -0.181 -1.768 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.725 -0.773 -3.174 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.191 0.189 -1.354 1.00 0.00 C ATOM 0 H VAL A 72 11.893 -2.652 0.345 1.00 0.00 H new ATOM 0 HA VAL A 72 13.727 -0.774 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 72 12.199 0.778 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.026 -0.237 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.733 -0.679 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.447 -1.826 -3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.674 0.625 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.668 -0.712 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.209 0.908 -0.535 1.00 0.00 H new ATOM 1060 N THR A 73 13.147 1.204 0.830 1.00 0.00 N ATOM 1061 CA THR A 73 12.944 2.284 1.951 1.00 0.00 C ATOM 1062 C THR A 73 11.472 2.959 1.866 1.00 0.00 C ATOM 1063 O THR A 73 10.778 2.799 0.821 1.00 0.00 O ATOM 1064 CB THR A 73 14.085 3.448 1.933 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.416 3.924 0.610 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.344 3.076 2.697 1.00 0.00 C ATOM 0 H THR A 73 13.704 1.560 0.053 1.00 0.00 H new ATOM 0 HA THR A 73 13.039 1.747 2.895 1.00 0.00 H new ATOM 0 HB THR A 73 13.614 4.276 2.462 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.103 4.620 0.675 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.059 3.897 2.642 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.093 2.882 3.740 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.785 2.181 2.258 1.00 0.00 H new ATOM 1074 N HIS A 74 11.003 3.705 3.005 1.00 0.00 N ATOM 1075 CA HIS A 74 9.634 4.522 3.098 1.00 0.00 C ATOM 1076 C HIS A 74 9.421 5.588 1.890 1.00 0.00 C ATOM 1077 O HIS A 74 8.431 5.472 1.075 1.00 0.00 O ATOM 1078 CB HIS A 74 9.379 5.161 4.592 1.00 0.00 C ATOM 1079 CG HIS A 74 10.335 6.310 5.151 1.00 0.00 C ATOM 1080 ND1 HIS A 74 9.953 7.647 5.213 1.00 0.00 N ATOM 1081 CD2 HIS A 74 11.600 6.278 5.670 1.00 0.00 C ATOM 1082 CE1 HIS A 74 10.937 8.377 5.741 1.00 0.00 C ATOM 1083 NE2 HIS A 74 11.942 7.569 6.024 1.00 0.00 N ATOM 0 H HIS A 74 11.545 3.760 3.867 1.00 0.00 H new ATOM 0 HA HIS A 74 8.844 3.785 2.950 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.362 5.553 4.606 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.413 4.337 5.305 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.220 5.401 5.783 1.00 0.00 H new ATOM 0 HE1 HIS A 74 10.915 9.444 5.908 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.830 7.853 6.438 1.00 0.00 H new ATOM 1092 N SER A 75 10.547 6.476 1.692 1.00 0.00 N ATOM 1093 CA SER A 75 10.717 7.552 0.578 1.00 0.00 C ATOM 1094 C SER A 75 10.602 6.972 -0.922 1.00 0.00 C ATOM 1095 O SER A 75 9.890 7.554 -1.744 1.00 0.00 O ATOM 1096 CB SER A 75 12.030 8.427 0.803 1.00 0.00 C ATOM 1097 OG SER A 75 13.237 7.645 0.897 1.00 0.00 O ATOM 0 H SER A 75 11.354 6.448 2.315 1.00 0.00 H new ATOM 0 HA SER A 75 9.861 8.219 0.677 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.129 9.135 -0.019 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.914 9.012 1.715 1.00 0.00 H new ATOM 0 HG SER A 75 14.003 8.241 1.033 1.00 0.00 H new ATOM 1103 N ALA A 76 11.194 5.668 -1.120 1.00 0.00 N ATOM 1104 CA ALA A 76 11.182 4.785 -2.370 1.00 0.00 C ATOM 1105 C ALA A 76 9.729 4.126 -2.719 1.00 0.00 C ATOM 1106 O ALA A 76 9.460 3.796 -3.917 1.00 0.00 O ATOM 1107 CB ALA A 76 12.267 3.705 -2.188 1.00 0.00 C ATOM 0 H ALA A 76 11.705 5.217 -0.361 1.00 0.00 H new ATOM 0 HA ALA A 76 11.395 5.416 -3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.285 3.056 -3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.240 4.183 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.044 3.111 -1.301 1.00 0.00 H new ATOM 1113 N ALA A 77 8.787 4.002 -1.612 1.00 0.00 N ATOM 1114 CA ALA A 77 7.325 3.530 -1.684 1.00 0.00 C ATOM 1115 C ALA A 77 6.277 4.731 -1.920 1.00 0.00 C ATOM 1116 O ALA A 77 5.209 4.516 -2.566 1.00 0.00 O ATOM 1117 CB ALA A 77 6.991 2.690 -0.430 1.00 0.00 C ATOM 0 H ALA A 77 9.062 4.237 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 77 7.221 2.899 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.955 2.356 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.650 1.823 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.132 3.298 0.463 1.00 0.00 H new ATOM 1123 N VAL A 78 6.654 6.019 -1.398 1.00 0.00 N ATOM 1124 CA VAL A 78 5.901 7.406 -1.593 1.00 0.00 C ATOM 1125 C VAL A 78 6.207 8.023 -3.096 1.00 0.00 C ATOM 1126 O VAL A 78 5.276 8.488 -3.743 1.00 0.00 O ATOM 1127 CB VAL A 78 6.271 8.475 -0.315 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.593 9.865 -0.351 1.00 0.00 C ATOM 1129 CG2 VAL A 78 5.833 7.918 1.017 1.00 0.00 C ATOM 0 H VAL A 78 7.493 6.126 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 78 4.823 7.249 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 78 7.348 8.585 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.910 10.447 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.880 10.386 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.510 9.742 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.084 8.625 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.755 7.754 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.342 6.972 1.201 1.00 0.00 H new ATOM 1139 N GLU A 79 7.547 7.908 -3.598 1.00 0.00 N ATOM 1140 CA GLU A 79 8.133 8.372 -5.007 1.00 0.00 C ATOM 1141 C GLU A 79 7.517 7.648 -6.286 1.00 0.00 C ATOM 1142 O GLU A 79 7.550 8.204 -7.401 1.00 0.00 O ATOM 1143 CB GLU A 79 9.697 8.285 -5.058 1.00 0.00 C ATOM 1144 CG GLU A 79 10.446 9.431 -4.319 1.00 0.00 C ATOM 1145 CD GLU A 79 11.991 9.379 -4.417 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.633 8.750 -3.531 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.559 9.994 -5.361 1.00 0.00 O ATOM 0 H GLU A 79 8.274 7.480 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 79 7.816 9.413 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.007 7.333 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.011 8.280 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.104 10.385 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.164 9.409 -3.266 1.00 0.00 H new ATOM 1154 N ALA A 80 6.905 6.386 -6.051 1.00 0.00 N ATOM 1155 CA ALA A 80 6.044 5.586 -7.029 1.00 0.00 C ATOM 1156 C ALA A 80 4.572 6.246 -7.200 1.00 0.00 C ATOM 1157 O ALA A 80 3.946 6.132 -8.296 1.00 0.00 O ATOM 1158 CB ALA A 80 5.978 4.102 -6.570 1.00 0.00 C ATOM 0 H ALA A 80 7.010 5.906 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 80 6.504 5.615 -8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.364 3.532 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.984 3.683 -6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.539 4.049 -5.574 1.00 0.00 H new ATOM 1164 N LEU A 81 4.086 6.990 -6.041 1.00 0.00 N ATOM 1165 CA LEU A 81 2.775 7.738 -5.908 1.00 0.00 C ATOM 1166 C LEU A 81 2.815 9.272 -6.284 1.00 0.00 C ATOM 1167 O LEU A 81 1.872 9.770 -6.938 1.00 0.00 O ATOM 1168 CB LEU A 81 2.056 7.432 -4.478 1.00 0.00 C ATOM 1169 CG LEU A 81 1.974 5.918 -3.887 1.00 0.00 C ATOM 1170 CD1 LEU A 81 1.180 5.871 -2.652 1.00 0.00 C ATOM 1171 CD2 LEU A 81 1.483 4.831 -4.872 1.00 0.00 C ATOM 0 H LEU A 81 4.643 7.054 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 81 2.137 7.327 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.564 8.040 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.033 7.803 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 81 3.014 5.666 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.144 4.847 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.639 6.513 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.168 6.219 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.469 3.864 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.478 5.077 -5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.156 4.785 -5.728 1.00 0.00 H new ATOM 1183 N LYS A 82 3.987 9.981 -5.900 1.00 0.00 N ATOM 1184 CA LYS A 82 4.320 11.473 -6.132 1.00 0.00 C ATOM 1185 C LYS A 82 4.836 11.784 -7.622 1.00 0.00 C ATOM 1186 O LYS A 82 4.491 12.867 -8.180 1.00 0.00 O ATOM 1187 CB LYS A 82 5.405 12.003 -5.043 1.00 0.00 C ATOM 1188 CG LYS A 82 5.026 12.010 -3.467 1.00 0.00 C ATOM 1189 CD LYS A 82 4.134 13.207 -2.878 1.00 0.00 C ATOM 1190 CE LYS A 82 4.861 14.595 -2.553 1.00 0.00 C ATOM 1191 NZ LYS A 82 5.274 15.392 -3.769 1.00 0.00 N ATOM 0 H LYS A 82 4.742 9.506 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 82 3.382 12.013 -6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.304 11.398 -5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.670 13.024 -5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.505 11.077 -3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.960 11.991 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.333 13.408 -3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.664 12.853 -1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.193 15.205 -1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.746 14.393 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.611 16.330 -3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.037 14.892 -4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.458 15.503 -4.405 1.00 0.00 H new ATOM 1205 N GLU A 83 5.640 10.764 -8.254 1.00 0.00 N ATOM 1206 CA GLU A 83 6.296 10.887 -9.700 1.00 0.00 C ATOM 1207 C GLU A 83 5.470 10.466 -10.970 1.00 0.00 C ATOM 1208 O GLU A 83 5.744 11.028 -12.100 1.00 0.00 O ATOM 1209 CB GLU A 83 7.733 10.329 -9.768 1.00 0.00 C ATOM 1210 CG GLU A 83 8.728 11.243 -9.074 1.00 0.00 C ATOM 1211 CD GLU A 83 10.225 10.843 -9.184 1.00 0.00 C ATOM 1212 OE1 GLU A 83 10.719 10.098 -8.293 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.906 11.303 -10.142 1.00 0.00 O ATOM 0 H GLU A 83 5.845 9.874 -7.801 1.00 0.00 H new ATOM 0 HA GLU A 83 6.305 11.974 -9.786 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.762 9.343 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.024 10.201 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.612 12.247 -9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.465 11.295 -8.018 1.00 0.00 H new ATOM 1220 N ALA A 84 4.391 9.531 -10.803 1.00 0.00 N ATOM 1221 CA ALA A 84 3.438 9.025 -11.971 1.00 0.00 C ATOM 1222 C ALA A 84 2.590 10.197 -12.723 1.00 0.00 C ATOM 1223 O ALA A 84 2.185 10.041 -13.925 1.00 0.00 O ATOM 1224 CB ALA A 84 2.555 7.865 -11.494 1.00 0.00 C ATOM 0 H ALA A 84 4.161 9.120 -9.898 1.00 0.00 H new ATOM 0 HA ALA A 84 4.101 8.650 -12.751 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.912 7.537 -12.311 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.186 7.036 -11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.939 8.197 -10.658 1.00 0.00 H new ATOM 1230 N GLY A 85 2.394 11.369 -11.936 1.00 0.00 N ATOM 1231 CA GLY A 85 1.924 12.706 -12.417 1.00 0.00 C ATOM 1232 C GLY A 85 0.483 13.130 -12.204 1.00 0.00 C ATOM 1233 O GLY A 85 0.241 14.338 -11.948 1.00 0.00 O ATOM 0 H GLY A 85 2.574 11.368 -10.932 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.556 13.459 -11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.119 12.751 -13.488 1.00 0.00 H new ATOM 1237 N SER A 86 -0.502 12.109 -12.284 1.00 0.00 N ATOM 1238 CA SER A 86 -2.046 12.275 -12.266 1.00 0.00 C ATOM 1239 C SER A 86 -2.779 10.881 -12.063 1.00 0.00 C ATOM 1240 O SER A 86 -3.865 10.869 -11.453 1.00 0.00 O ATOM 1241 CB SER A 86 -2.566 12.996 -13.626 1.00 0.00 C ATOM 1242 OG SER A 86 -3.944 13.409 -13.591 1.00 0.00 O ATOM 0 H SER A 86 -0.232 11.129 -12.364 1.00 0.00 H new ATOM 0 HA SER A 86 -2.296 12.912 -11.417 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.943 13.869 -13.821 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.426 12.311 -14.462 1.00 0.00 H new ATOM 0 HG SER A 86 -4.180 13.834 -14.442 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.159 9.706 -12.628 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.761 8.289 -12.613 1.00 0.00 C ATOM 1250 C ILE A 87 -1.722 7.279 -11.974 1.00 0.00 C ATOM 1251 O ILE A 87 -0.616 7.020 -12.531 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.424 7.789 -14.128 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.431 8.900 -14.861 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -4.083 6.323 -14.155 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.763 9.428 -14.145 1.00 0.00 C ATOM 0 H ILE A 87 -1.250 9.742 -13.089 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.642 8.298 -11.971 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.519 7.727 -14.733 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.824 9.777 -15.085 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.735 8.470 -15.815 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.466 6.115 -15.154 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.329 5.580 -13.893 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.901 6.279 -13.436 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.267 10.143 -14.796 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.427 8.587 -13.946 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.502 9.914 -13.205 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.197 6.718 -10.790 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.490 5.779 -9.841 1.00 0.00 C ATOM 1269 C VAL A 88 -2.288 4.394 -9.677 1.00 0.00 C ATOM 1270 O VAL A 88 -3.496 4.379 -9.311 1.00 0.00 O ATOM 1271 CB VAL A 88 -1.066 6.641 -8.478 1.00 0.00 C ATOM 1272 CG1 VAL A 88 -1.534 6.291 -7.014 1.00 0.00 C ATOM 1273 CG2 VAL A 88 0.340 7.167 -8.561 1.00 0.00 C ATOM 0 H VAL A 88 -3.140 6.928 -10.463 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.541 5.410 -10.230 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.828 7.413 -8.589 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.113 7.014 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.622 6.326 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.191 5.290 -6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.575 7.722 -7.653 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.035 6.334 -8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.431 7.827 -9.424 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.519 3.276 -9.946 1.00 0.00 N ATOM 1284 CA ARG A 89 -2.014 1.793 -9.998 1.00 0.00 C ATOM 1285 C ARG A 89 -1.364 0.808 -8.925 1.00 0.00 C ATOM 1286 O ARG A 89 -0.216 0.330 -9.099 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.142 1.162 -11.531 1.00 0.00 C ATOM 1288 CG ARG A 89 -0.933 1.211 -12.499 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.393 0.699 -13.832 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.337 0.827 -14.921 1.00 0.00 N ATOM 1291 CZ ARG A 89 -0.473 0.762 -16.338 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -1.662 0.555 -16.992 1.00 0.00 N ATOM 1293 NH2 ARG A 89 0.620 0.909 -17.075 1.00 0.00 N ATOM 0 H ARG A 89 -0.520 3.353 -10.139 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.045 1.871 -9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.430 0.116 -11.427 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.970 1.673 -12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.557 2.230 -12.590 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.113 0.602 -12.118 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.678 -0.348 -13.733 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.286 1.245 -14.135 1.00 0.00 H new ATOM 0 HE ARG A 89 0.613 0.983 -14.585 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.523 0.436 -16.459 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.684 0.520 -18.011 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.522 1.063 -16.624 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.558 0.868 -18.092 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.184 0.515 -7.808 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.844 -0.397 -6.632 1.00 0.00 C ATOM 1309 C LEU A 90 -2.391 -1.887 -6.789 1.00 0.00 C ATOM 1310 O LEU A 90 -3.561 -2.098 -7.237 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.271 0.303 -5.165 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.758 0.748 -4.709 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.532 1.730 -5.545 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -4.563 -0.384 -4.178 1.00 0.00 C ATOM 0 H LEU A 90 -3.114 0.923 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.759 -0.503 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.926 -0.391 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.659 1.201 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.521 1.412 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.505 1.910 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.981 2.669 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.672 1.324 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.550 -0.024 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.667 -1.149 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.063 -0.810 -3.308 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.479 -2.895 -6.402 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.733 -4.384 -6.383 1.00 0.00 C ATOM 1328 C TYR A 91 -1.621 -4.949 -4.923 1.00 0.00 C ATOM 1329 O TYR A 91 -0.464 -5.031 -4.325 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.776 -5.168 -7.456 1.00 0.00 C ATOM 1331 CG TYR A 91 -1.132 -6.663 -7.873 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.391 -7.033 -8.399 1.00 0.00 C ATOM 1333 CD2 TYR A 91 -0.192 -7.658 -7.707 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.676 -8.307 -8.734 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.460 -8.958 -8.039 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.707 -9.293 -8.558 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.978 -10.598 -8.908 1.00 0.00 O ATOM 0 H TYR A 91 -0.535 -2.665 -6.093 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.757 -4.567 -6.709 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.750 -4.571 -8.368 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.235 -5.174 -7.049 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.146 -6.273 -8.536 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.778 -7.405 -7.306 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.646 -8.561 -9.135 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.292 -9.720 -7.899 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.194 -11.156 -8.721 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.859 -5.393 -4.424 1.00 0.00 N ATOM 1348 CA VAL A 92 -3.147 -5.899 -2.974 1.00 0.00 C ATOM 1349 C VAL A 92 -3.356 -7.528 -2.826 1.00 0.00 C ATOM 1350 O VAL A 92 -3.747 -8.226 -3.819 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.373 -5.033 -2.198 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -4.063 -3.540 -2.007 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.796 -5.226 -2.821 1.00 0.00 C ATOM 0 H VAL A 92 -3.693 -5.414 -5.011 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.217 -5.688 -2.446 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.398 -5.487 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.899 -3.056 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.162 -3.430 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.908 -3.073 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.521 -4.635 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.785 -4.899 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.074 -6.279 -2.775 1.00 0.00 H new ATOM 1363 N MET A 93 -3.161 -8.016 -1.505 1.00 0.00 N ATOM 1364 CA MET A 93 -3.178 -9.502 -1.021 1.00 0.00 C ATOM 1365 C MET A 93 -4.210 -9.790 0.175 1.00 0.00 C ATOM 1366 O MET A 93 -4.067 -9.231 1.309 1.00 0.00 O ATOM 1367 CB MET A 93 -1.660 -10.135 -0.767 1.00 0.00 C ATOM 1368 CG MET A 93 -0.678 -9.450 0.276 1.00 0.00 C ATOM 1369 SD MET A 93 0.907 -10.305 0.402 1.00 0.00 S ATOM 1370 CE MET A 93 1.745 -9.291 1.620 1.00 0.00 C ATOM 0 H MET A 93 -2.984 -7.374 -0.732 1.00 0.00 H new ATOM 0 HA MET A 93 -3.580 -10.063 -1.864 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.789 -11.172 -0.458 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.150 -10.151 -1.730 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.506 -8.415 -0.019 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.154 -9.428 1.257 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.741 -9.693 1.805 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.829 -8.270 1.248 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.175 -9.292 2.549 1.00 0.00 H new ATOM 1380 N ARG A 94 -5.243 -10.698 -0.147 1.00 0.00 N ATOM 1381 CA ARG A 94 -6.349 -11.207 0.754 1.00 0.00 C ATOM 1382 C ARG A 94 -6.150 -12.796 0.970 1.00 0.00 C ATOM 1383 O ARG A 94 -5.669 -13.534 0.047 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.826 -10.803 0.106 1.00 0.00 C ATOM 1385 CG ARG A 94 -9.165 -10.893 0.991 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.371 -9.717 1.998 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.652 -9.871 2.804 1.00 0.00 N ATOM 1388 CZ ARG A 94 -11.230 -9.003 3.768 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -10.686 -7.803 4.155 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -12.372 -9.375 4.335 1.00 0.00 N ATOM 0 H ARG A 94 -5.311 -11.098 -1.083 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.309 -10.740 1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.748 -9.777 -0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.976 -11.437 -0.768 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.024 -10.932 0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -9.152 -11.830 1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.520 -9.669 2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.398 -8.774 1.452 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.175 -10.728 2.625 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.809 -7.484 3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.159 -7.231 4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.806 -10.260 4.074 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.815 -8.775 5.031 1.00 0.00 H new ATOM 1604 N SER B 8 2.933 9.574 5.506 1.00 0.00 N ATOM 1605 CA SER B 8 2.928 9.082 4.040 1.00 0.00 C ATOM 1606 C SER B 8 1.534 9.372 3.221 1.00 0.00 C ATOM 1607 O SER B 8 0.650 10.111 3.742 1.00 0.00 O ATOM 1608 CB SER B 8 3.387 7.551 4.002 1.00 0.00 C ATOM 1609 OG SER B 8 4.692 7.351 4.550 1.00 0.00 O ATOM 0 HA SER B 8 3.652 9.682 3.488 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.669 6.947 4.556 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.373 7.197 2.971 1.00 0.00 H new ATOM 0 HG SER B 8 4.867 8.031 5.234 1.00 0.00 H new ATOM 1615 N VAL B 9 1.409 8.799 1.909 1.00 0.00 N ATOM 1616 CA VAL B 9 0.252 9.029 0.901 1.00 0.00 C ATOM 1617 C VAL B 9 -0.527 7.644 0.646 1.00 0.00 C ATOM 1618 O VAL B 9 0.108 6.612 0.407 1.00 0.00 O ATOM 1619 CB VAL B 9 0.743 9.820 -0.561 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.417 10.448 -1.348 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.774 10.973 -0.364 1.00 0.00 C ATOM 1622 OXT VAL B 9 -1.758 7.687 0.633 1.00 0.00 O ATOM 0 H VAL B 9 2.118 8.167 1.538 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.445 9.736 1.352 1.00 0.00 H new ATOM 0 HB VAL B 9 1.194 8.992 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -0.030 10.924 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -1.131 9.672 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.915 11.194 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL B 9 2.022 11.408 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.343 11.740 0.279 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.678 10.577 0.099 1.00 0.00 H new