USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot -124:sc= -0.0465 USER MOD Set 1.2: A 20 SER OG : rot 52:sc= 0.0508 USER MOD Set 1.3: A 21 SER OG : rot 180:sc= 0.222 USER MOD Set 2.1: A 8 GLN : amide:sc= 0.635 K(o=1.2,f=0.28) USER MOD Set 2.2: A 89 THR OG1 : rot 180:sc= 0.579 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 35:sc= 1.08 USER MOD Single : A 30 ASN : amide:sc= -0.692 K(o=-0.69,f=-4.8) USER MOD Single : A 31 SER OG : rot 46:sc= 1.09 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 124:sc= 1.23 USER MOD Single : A 40 THR OG1 : rot 14:sc= 0.85 USER MOD Single : A 57 SER OG : rot 180:sc= -0.166 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc=-0.00934 USER MOD Single : A 62 TYR OH : rot -168:sc= 1.27 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 73 TYR OH : rot 4:sc= 0.331 USER MOD Single : A 76 SER OG : rot -4:sc= 0.459 USER MOD Single : A 79 THR OG1 : rot 130:sc= -0.0242 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 SER OG : rot -119:sc= 0.729 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0153 USER MOD Single : A 92 THR OG1 : rot 158:sc= 0.673 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.094) USER MOD Single : A 95 THR OG1 : rot 50:sc= 0.26 USER MOD ----------------------------------------------------------------- ATOM 77 N VAL A 6 -14.885 5.140 2.766 1.00 0.00 N ATOM 78 CA VAL A 6 -13.986 6.293 2.654 1.00 0.00 C ATOM 79 C VAL A 6 -13.146 6.246 1.361 1.00 0.00 C ATOM 80 O VAL A 6 -12.598 5.186 1.056 1.00 0.00 O ATOM 81 CB VAL A 6 -13.139 6.316 3.948 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.983 7.320 3.915 1.00 0.00 C ATOM 83 CG2 VAL A 6 -13.996 6.586 5.199 1.00 0.00 C ATOM 0 HA VAL A 6 -14.543 7.226 2.567 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.711 5.315 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.437 7.277 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.310 7.073 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.378 8.325 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.358 6.593 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.489 7.553 5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.748 5.804 5.301 1.00 0.00 H new ATOM 93 N PRO A 7 -13.001 7.344 0.596 1.00 0.00 N ATOM 94 CA PRO A 7 -12.339 7.306 -0.702 1.00 0.00 C ATOM 95 C PRO A 7 -10.869 6.899 -0.545 1.00 0.00 C ATOM 96 O PRO A 7 -10.142 7.439 0.299 1.00 0.00 O ATOM 97 CB PRO A 7 -12.525 8.703 -1.302 1.00 0.00 C ATOM 98 CG PRO A 7 -12.762 9.600 -0.090 1.00 0.00 C ATOM 99 CD PRO A 7 -13.517 8.676 0.863 1.00 0.00 C ATOM 0 HA PRO A 7 -12.765 6.558 -1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.645 9.016 -1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.369 8.732 -1.991 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.826 9.952 0.343 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.347 10.483 -0.347 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.350 8.961 1.902 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.592 8.724 0.688 1.00 0.00 H new ATOM 107 N GLN A 8 -10.446 5.915 -1.340 1.00 0.00 N ATOM 108 CA GLN A 8 -9.103 5.344 -1.328 1.00 0.00 C ATOM 109 C GLN A 8 -8.255 5.920 -2.465 1.00 0.00 C ATOM 110 O GLN A 8 -8.732 6.695 -3.298 1.00 0.00 O ATOM 111 CB GLN A 8 -9.211 3.804 -1.353 1.00 0.00 C ATOM 112 CG GLN A 8 -9.604 3.223 -2.720 1.00 0.00 C ATOM 113 CD GLN A 8 -10.679 2.148 -2.573 1.00 0.00 C ATOM 114 OE1 GLN A 8 -11.870 2.453 -2.546 1.00 0.00 O ATOM 115 NE2 GLN A 8 -10.316 0.882 -2.465 1.00 0.00 N ATOM 0 H GLN A 8 -11.053 5.480 -2.034 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.582 5.619 -0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.254 3.379 -1.052 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.947 3.490 -0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.970 4.021 -3.366 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.725 2.798 -3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.328 0.631 -2.488 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.024 0.156 -2.359 1.00 0.00 H new ATOM 124 N LEU A 9 -6.995 5.494 -2.533 1.00 0.00 N ATOM 125 CA LEU A 9 -6.167 5.651 -3.714 1.00 0.00 C ATOM 126 C LEU A 9 -6.679 4.689 -4.779 1.00 0.00 C ATOM 127 O LEU A 9 -6.184 3.571 -4.939 1.00 0.00 O ATOM 128 CB LEU A 9 -4.690 5.380 -3.404 1.00 0.00 C ATOM 129 CG LEU A 9 -4.032 6.435 -2.505 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.717 5.848 -1.976 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.813 7.738 -3.277 1.00 0.00 C ATOM 0 H LEU A 9 -6.521 5.027 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.230 6.679 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.604 4.405 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.138 5.323 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.678 6.682 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.226 6.578 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.926 4.943 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.064 5.606 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.345 8.474 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.165 7.549 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.772 8.120 -3.626 1.00 0.00 H new ATOM 143 N THR A 10 -7.655 5.142 -5.546 1.00 0.00 N ATOM 144 CA THR A 10 -8.204 4.451 -6.704 1.00 0.00 C ATOM 145 C THR A 10 -7.111 4.173 -7.759 1.00 0.00 C ATOM 146 O THR A 10 -7.245 3.247 -8.562 1.00 0.00 O ATOM 147 CB THR A 10 -9.365 5.326 -7.211 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.160 5.681 -6.096 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.272 4.637 -8.225 1.00 0.00 C ATOM 0 H THR A 10 -8.107 6.040 -5.373 1.00 0.00 H new ATOM 0 HA THR A 10 -8.584 3.460 -6.455 1.00 0.00 H new ATOM 0 HB THR A 10 -8.917 6.182 -7.715 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.907 6.241 -6.392 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.063 5.322 -8.530 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.687 4.346 -9.098 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.715 3.750 -7.773 1.00 0.00 H new ATOM 157 N ASP A 11 -5.990 4.905 -7.713 1.00 0.00 N ATOM 158 CA ASP A 11 -4.806 4.714 -8.561 1.00 0.00 C ATOM 159 C ASP A 11 -3.735 3.816 -7.927 1.00 0.00 C ATOM 160 O ASP A 11 -2.625 3.715 -8.440 1.00 0.00 O ATOM 161 CB ASP A 11 -4.207 6.089 -8.883 1.00 0.00 C ATOM 162 CG ASP A 11 -3.089 6.062 -9.937 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.125 5.229 -10.878 1.00 0.00 O ATOM 164 OD2 ASP A 11 -2.191 6.924 -9.813 1.00 0.00 O ATOM 0 H ASP A 11 -5.879 5.678 -7.057 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.133 4.202 -9.466 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.003 6.746 -9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.814 6.525 -7.965 1.00 0.00 H new ATOM 169 N LEU A 12 -4.011 3.205 -6.771 1.00 0.00 N ATOM 170 CA LEU A 12 -3.048 2.315 -6.124 1.00 0.00 C ATOM 171 C LEU A 12 -2.714 1.152 -7.049 1.00 0.00 C ATOM 172 O LEU A 12 -3.536 0.242 -7.209 1.00 0.00 O ATOM 173 CB LEU A 12 -3.566 1.814 -4.767 1.00 0.00 C ATOM 174 CG LEU A 12 -2.568 1.012 -3.904 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.317 -0.442 -4.347 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.243 1.773 -3.762 1.00 0.00 C ATOM 0 H LEU A 12 -4.891 3.311 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.136 2.880 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.901 2.676 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.442 1.190 -4.945 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.057 0.920 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.601 -0.910 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.255 -0.997 -4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.917 -0.450 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.553 1.191 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.808 1.933 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.426 2.736 -3.286 1.00 0.00 H new ATOM 188 N SER A 13 -1.514 1.173 -7.619 1.00 0.00 N ATOM 189 CA SER A 13 -0.968 0.100 -8.422 1.00 0.00 C ATOM 190 C SER A 13 0.521 -0.030 -8.172 1.00 0.00 C ATOM 191 O SER A 13 1.140 0.856 -7.595 1.00 0.00 O ATOM 192 CB SER A 13 -1.289 0.347 -9.900 1.00 0.00 C ATOM 193 OG SER A 13 -2.673 0.176 -10.164 1.00 0.00 O ATOM 0 H SER A 13 -0.879 1.966 -7.528 1.00 0.00 H new ATOM 0 HA SER A 13 -1.427 -0.847 -8.138 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.986 1.357 -10.176 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.711 -0.339 -10.519 1.00 0.00 H new ATOM 0 HG SER A 13 -2.848 0.342 -11.114 1.00 0.00 H new ATOM 199 N PHE A 14 1.107 -1.154 -8.568 1.00 0.00 N ATOM 200 CA PHE A 14 2.523 -1.419 -8.394 1.00 0.00 C ATOM 201 C PHE A 14 3.181 -1.362 -9.767 1.00 0.00 C ATOM 202 O PHE A 14 2.507 -1.407 -10.802 1.00 0.00 O ATOM 203 CB PHE A 14 2.689 -2.745 -7.652 1.00 0.00 C ATOM 204 CG PHE A 14 1.951 -2.841 -6.320 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.613 -1.702 -5.554 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.585 -4.107 -5.835 1.00 0.00 C ATOM 207 CE1 PHE A 14 0.851 -1.824 -4.381 1.00 0.00 C ATOM 208 CE2 PHE A 14 0.868 -4.222 -4.635 1.00 0.00 C ATOM 209 CZ PHE A 14 0.468 -3.086 -3.920 1.00 0.00 C ATOM 0 H PHE A 14 0.602 -1.914 -9.024 1.00 0.00 H new ATOM 0 HA PHE A 14 3.024 -0.673 -7.777 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.343 -3.551 -8.299 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.751 -2.913 -7.474 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.945 -0.726 -5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.856 -4.994 -6.387 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.560 -0.940 -3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.620 -5.203 -4.256 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.128 -3.184 -3.025 1.00 0.00 H new ATOM 219 N VAL A 15 4.486 -1.165 -9.788 1.00 0.00 N ATOM 220 CA VAL A 15 5.321 -1.024 -10.966 1.00 0.00 C ATOM 221 C VAL A 15 6.676 -1.649 -10.633 1.00 0.00 C ATOM 222 O VAL A 15 6.951 -1.907 -9.464 1.00 0.00 O ATOM 223 CB VAL A 15 5.440 0.466 -11.356 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.267 0.925 -12.231 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.526 1.429 -10.159 1.00 0.00 C ATOM 0 H VAL A 15 5.026 -1.095 -8.926 1.00 0.00 H new ATOM 0 HA VAL A 15 4.891 -1.533 -11.829 1.00 0.00 H new ATOM 0 HB VAL A 15 6.380 0.513 -11.906 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.391 1.978 -12.482 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.243 0.334 -13.147 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.332 0.789 -11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.607 2.454 -10.522 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.629 1.330 -9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.403 1.186 -9.559 1.00 0.00 H new ATOM 235 N ASP A 16 7.526 -1.852 -11.644 1.00 0.00 N ATOM 236 CA ASP A 16 8.890 -2.364 -11.535 1.00 0.00 C ATOM 237 C ASP A 16 8.926 -3.517 -10.543 1.00 0.00 C ATOM 238 O ASP A 16 9.594 -3.447 -9.511 1.00 0.00 O ATOM 239 CB ASP A 16 9.896 -1.239 -11.208 1.00 0.00 C ATOM 240 CG ASP A 16 9.997 -0.173 -12.296 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.642 -0.456 -13.465 1.00 0.00 O ATOM 242 OD2 ASP A 16 10.374 0.979 -11.981 1.00 0.00 O ATOM 0 H ASP A 16 7.265 -1.652 -12.610 1.00 0.00 H new ATOM 0 HA ASP A 16 9.206 -2.757 -12.501 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.605 -0.764 -10.271 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.881 -1.679 -11.049 1.00 0.00 H new ATOM 247 N ILE A 17 8.151 -4.562 -10.853 1.00 0.00 N ATOM 248 CA ILE A 17 8.016 -5.779 -10.073 1.00 0.00 C ATOM 249 C ILE A 17 9.250 -6.644 -10.411 1.00 0.00 C ATOM 250 O ILE A 17 9.159 -7.687 -11.060 1.00 0.00 O ATOM 251 CB ILE A 17 6.661 -6.454 -10.421 1.00 0.00 C ATOM 252 CG1 ILE A 17 5.448 -5.541 -10.735 1.00 0.00 C ATOM 253 CG2 ILE A 17 6.277 -7.491 -9.358 1.00 0.00 C ATOM 254 CD1 ILE A 17 4.844 -4.768 -9.570 1.00 0.00 C ATOM 0 H ILE A 17 7.577 -4.574 -11.696 1.00 0.00 H new ATOM 0 HA ILE A 17 7.994 -5.607 -8.997 1.00 0.00 H new ATOM 0 HB ILE A 17 6.877 -6.921 -11.382 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.753 -4.823 -11.496 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.664 -6.158 -11.175 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.325 -7.950 -9.624 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.048 -8.260 -9.305 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.185 -7.001 -8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.005 -4.170 -9.926 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.494 -5.468 -8.811 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.600 -4.112 -9.138 1.00 0.00 H new ATOM 266 N THR A 18 10.427 -6.105 -10.117 1.00 0.00 N ATOM 267 CA THR A 18 11.732 -6.733 -10.270 1.00 0.00 C ATOM 268 C THR A 18 11.932 -7.797 -9.183 1.00 0.00 C ATOM 269 O THR A 18 11.082 -8.028 -8.329 1.00 0.00 O ATOM 270 CB THR A 18 12.804 -5.626 -10.323 1.00 0.00 C ATOM 271 OG1 THR A 18 14.113 -6.141 -10.470 1.00 0.00 O ATOM 272 CG2 THR A 18 12.810 -4.709 -9.107 1.00 0.00 C ATOM 0 H THR A 18 10.499 -5.159 -9.742 1.00 0.00 H new ATOM 0 HA THR A 18 11.817 -7.282 -11.208 1.00 0.00 H new ATOM 0 HB THR A 18 12.521 -5.047 -11.202 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.676 -5.818 -9.736 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.592 -3.958 -9.221 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.842 -4.215 -9.019 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.000 -5.297 -8.209 1.00 0.00 H new ATOM 280 N ASP A 19 13.050 -8.514 -9.263 1.00 0.00 N ATOM 281 CA ASP A 19 13.512 -9.468 -8.249 1.00 0.00 C ATOM 282 C ASP A 19 14.185 -8.779 -7.052 1.00 0.00 C ATOM 283 O ASP A 19 14.567 -9.438 -6.084 1.00 0.00 O ATOM 284 CB ASP A 19 14.500 -10.451 -8.898 1.00 0.00 C ATOM 285 CG ASP A 19 15.944 -9.940 -8.932 1.00 0.00 C ATOM 286 OD1 ASP A 19 16.325 -9.300 -9.947 1.00 0.00 O ATOM 287 OD2 ASP A 19 16.747 -10.233 -8.020 1.00 0.00 O ATOM 0 H ASP A 19 13.683 -8.447 -10.060 1.00 0.00 H new ATOM 0 HA ASP A 19 12.637 -9.993 -7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.471 -11.395 -8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.174 -10.661 -9.917 1.00 0.00 H new ATOM 292 N SER A 20 14.355 -7.458 -7.127 1.00 0.00 N ATOM 293 CA SER A 20 15.203 -6.663 -6.252 1.00 0.00 C ATOM 294 C SER A 20 14.446 -5.739 -5.311 1.00 0.00 C ATOM 295 O SER A 20 15.044 -5.150 -4.407 1.00 0.00 O ATOM 296 CB SER A 20 16.213 -5.913 -7.132 1.00 0.00 C ATOM 297 OG SER A 20 15.627 -4.844 -7.859 1.00 0.00 O ATOM 0 H SER A 20 13.882 -6.893 -7.832 1.00 0.00 H new ATOM 0 HA SER A 20 15.722 -7.337 -5.570 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.014 -5.522 -6.504 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.669 -6.614 -7.831 1.00 0.00 H new ATOM 0 HG SER A 20 15.130 -4.264 -7.245 1.00 0.00 H new ATOM 303 N SER A 21 13.156 -5.568 -5.557 1.00 0.00 N ATOM 304 CA SER A 21 12.325 -4.520 -5.027 1.00 0.00 C ATOM 305 C SER A 21 10.955 -4.616 -5.690 1.00 0.00 C ATOM 306 O SER A 21 10.776 -5.348 -6.665 1.00 0.00 O ATOM 307 CB SER A 21 12.981 -3.139 -5.242 1.00 0.00 C ATOM 308 OG SER A 21 13.586 -2.978 -6.519 1.00 0.00 O ATOM 0 H SER A 21 12.639 -6.199 -6.169 1.00 0.00 H new ATOM 0 HA SER A 21 12.206 -4.638 -3.950 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.225 -2.365 -5.109 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.736 -2.983 -4.471 1.00 0.00 H new ATOM 0 HG SER A 21 13.978 -2.082 -6.584 1.00 0.00 H new ATOM 314 N ILE A 22 10.010 -3.835 -5.180 1.00 0.00 N ATOM 315 CA ILE A 22 8.793 -3.507 -5.912 1.00 0.00 C ATOM 316 C ILE A 22 8.632 -1.989 -5.855 1.00 0.00 C ATOM 317 O ILE A 22 9.053 -1.356 -4.881 1.00 0.00 O ATOM 318 CB ILE A 22 7.591 -4.306 -5.350 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.453 -4.383 -6.381 1.00 0.00 C ATOM 320 CG2 ILE A 22 7.089 -3.735 -4.020 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.234 -5.228 -5.966 1.00 0.00 C ATOM 0 H ILE A 22 10.065 -3.413 -4.253 1.00 0.00 H new ATOM 0 HA ILE A 22 8.847 -3.801 -6.960 1.00 0.00 H new ATOM 0 HB ILE A 22 7.943 -5.318 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.114 -3.370 -6.597 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.855 -4.789 -7.309 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.246 -4.328 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.892 -3.768 -3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.772 -2.702 -4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.493 -5.214 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.549 -6.255 -5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.796 -4.814 -5.058 1.00 0.00 H new ATOM 333 N GLY A 23 8.020 -1.399 -6.875 1.00 0.00 N ATOM 334 CA GLY A 23 7.629 -0.004 -6.893 1.00 0.00 C ATOM 335 C GLY A 23 6.119 0.105 -6.755 1.00 0.00 C ATOM 336 O GLY A 23 5.370 -0.816 -7.087 1.00 0.00 O ATOM 0 H GLY A 23 7.778 -1.895 -7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.118 0.532 -6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.954 0.463 -7.823 1.00 0.00 H new ATOM 340 N LEU A 24 5.660 1.275 -6.334 1.00 0.00 N ATOM 341 CA LEU A 24 4.259 1.633 -6.201 1.00 0.00 C ATOM 342 C LEU A 24 4.017 2.894 -6.997 1.00 0.00 C ATOM 343 O LEU A 24 4.860 3.794 -6.983 1.00 0.00 O ATOM 344 CB LEU A 24 3.900 1.929 -4.744 1.00 0.00 C ATOM 345 CG LEU A 24 3.974 0.696 -3.832 1.00 0.00 C ATOM 346 CD1 LEU A 24 5.215 0.744 -2.947 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.743 0.606 -2.935 1.00 0.00 C ATOM 0 H LEU A 24 6.285 2.034 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 24 3.652 0.800 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.574 2.695 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.892 2.341 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 24 4.021 -0.179 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.243 -0.141 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.107 0.770 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.183 1.638 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.820 -0.276 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.681 1.498 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.848 0.531 -3.552 1.00 0.00 H new ATOM 359 N ARG A 25 2.827 3.022 -7.580 1.00 0.00 N ATOM 360 CA ARG A 25 2.310 4.323 -7.957 1.00 0.00 C ATOM 361 C ARG A 25 0.959 4.497 -7.296 1.00 0.00 C ATOM 362 O ARG A 25 0.275 3.520 -6.986 1.00 0.00 O ATOM 363 CB ARG A 25 2.203 4.471 -9.485 1.00 0.00 C ATOM 364 CG ARG A 25 1.197 3.515 -10.166 1.00 0.00 C ATOM 365 CD ARG A 25 0.975 3.966 -11.612 1.00 0.00 C ATOM 366 NE ARG A 25 0.180 3.014 -12.412 1.00 0.00 N ATOM 367 CZ ARG A 25 -0.766 3.383 -13.284 1.00 0.00 C ATOM 368 NH1 ARG A 25 -1.529 4.447 -13.051 1.00 0.00 N ATOM 369 NH2 ARG A 25 -0.931 2.698 -14.408 1.00 0.00 N ATOM 0 H ARG A 25 2.209 2.240 -7.798 1.00 0.00 H new ATOM 0 HA ARG A 25 2.996 5.101 -7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.919 5.498 -9.716 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.189 4.307 -9.921 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.576 2.493 -10.145 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.252 3.515 -9.623 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.473 4.933 -11.609 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.943 4.111 -12.091 1.00 0.00 H new ATOM 0 HE ARG A 25 0.362 2.017 -12.294 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.397 4.993 -12.199 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.246 4.717 -13.724 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.338 1.892 -14.606 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.651 2.977 -15.074 1.00 0.00 H new ATOM 383 N TRP A 26 0.564 5.743 -7.127 1.00 0.00 N ATOM 384 CA TRP A 26 -0.778 6.175 -6.838 1.00 0.00 C ATOM 385 C TRP A 26 -0.854 7.667 -7.190 1.00 0.00 C ATOM 386 O TRP A 26 0.074 8.244 -7.761 1.00 0.00 O ATOM 387 CB TRP A 26 -1.132 5.813 -5.387 1.00 0.00 C ATOM 388 CG TRP A 26 -0.317 6.439 -4.299 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.487 7.683 -3.802 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.785 5.850 -3.534 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.392 7.882 -2.763 1.00 0.00 N ATOM 392 CE2 TRP A 26 1.221 6.804 -2.571 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.463 4.611 -3.542 1.00 0.00 C ATOM 394 CZ2 TRP A 26 2.285 6.565 -1.690 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.572 4.385 -2.700 1.00 0.00 C ATOM 396 CH2 TRP A 26 3.006 5.365 -1.795 1.00 0.00 C ATOM 0 H TRP A 26 1.216 6.525 -7.193 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.536 5.668 -7.435 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.176 6.078 -5.220 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.057 4.731 -5.283 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.201 8.408 -4.164 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.424 8.732 -2.200 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.127 3.825 -4.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.547 7.296 -0.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.096 3.442 -2.753 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.883 5.199 -1.187 1.00 0.00 H new ATOM 407 N THR A 27 -1.977 8.304 -6.882 1.00 0.00 N ATOM 408 CA THR A 27 -2.262 9.683 -7.228 1.00 0.00 C ATOM 409 C THR A 27 -2.087 10.503 -5.948 1.00 0.00 C ATOM 410 O THR A 27 -2.840 10.262 -5.007 1.00 0.00 O ATOM 411 CB THR A 27 -3.651 9.758 -7.874 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.589 9.197 -9.176 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.180 11.187 -8.013 1.00 0.00 C ATOM 0 H THR A 27 -2.736 7.857 -6.368 1.00 0.00 H new ATOM 0 HA THR A 27 -1.584 10.100 -7.973 1.00 0.00 H new ATOM 0 HB THR A 27 -4.326 9.210 -7.217 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.956 8.449 -9.180 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.166 11.166 -8.477 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.253 11.646 -7.027 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.499 11.768 -8.634 1.00 0.00 H new ATOM 421 N PRO A 28 -1.021 11.317 -5.808 1.00 0.00 N ATOM 422 CA PRO A 28 -0.766 12.039 -4.568 1.00 0.00 C ATOM 423 C PRO A 28 -1.960 12.948 -4.262 1.00 0.00 C ATOM 424 O PRO A 28 -2.340 13.783 -5.088 1.00 0.00 O ATOM 425 CB PRO A 28 0.526 12.828 -4.809 1.00 0.00 C ATOM 426 CG PRO A 28 0.675 12.926 -6.321 1.00 0.00 C ATOM 427 CD PRO A 28 -0.129 11.753 -6.872 1.00 0.00 C ATOM 0 HA PRO A 28 -0.647 11.384 -3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.470 13.818 -4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.382 12.322 -4.363 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.294 13.876 -6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.721 12.863 -6.620 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.696 12.053 -7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.531 10.942 -7.179 1.00 0.00 H new ATOM 435 N LEU A 29 -2.556 12.795 -3.076 1.00 0.00 N ATOM 436 CA LEU A 29 -3.785 13.493 -2.689 1.00 0.00 C ATOM 437 C LEU A 29 -3.518 14.789 -1.941 1.00 0.00 C ATOM 438 O LEU A 29 -4.409 15.638 -1.885 1.00 0.00 O ATOM 439 CB LEU A 29 -4.719 12.590 -1.864 1.00 0.00 C ATOM 440 CG LEU A 29 -4.924 11.176 -2.439 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.765 10.335 -1.481 1.00 0.00 C ATOM 442 CD2 LEU A 29 -5.633 11.242 -3.796 1.00 0.00 C ATOM 0 H LEU A 29 -2.195 12.176 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.283 13.750 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.318 12.502 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.691 13.077 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.943 10.719 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.903 9.337 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.256 10.259 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.737 10.807 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.768 10.233 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.606 11.718 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.029 11.822 -4.494 1.00 0.00 H new ATOM 454 N ASN A 30 -2.309 14.947 -1.385 1.00 0.00 N ATOM 455 CA ASN A 30 -1.740 16.158 -0.775 1.00 0.00 C ATOM 456 C ASN A 30 -2.723 16.908 0.131 1.00 0.00 C ATOM 457 O ASN A 30 -2.703 18.139 0.217 1.00 0.00 O ATOM 458 CB ASN A 30 -1.170 17.067 -1.877 1.00 0.00 C ATOM 459 CG ASN A 30 -0.031 16.445 -2.665 1.00 0.00 C ATOM 460 OD1 ASN A 30 0.327 15.294 -2.458 1.00 0.00 O ATOM 461 ND2 ASN A 30 0.553 17.185 -3.585 1.00 0.00 N ATOM 0 H ASN A 30 -1.650 14.169 -1.347 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.934 15.843 -0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.972 17.332 -2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.820 17.994 -1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.318 16.800 -4.139 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.240 18.143 -3.743 1.00 0.00 H new ATOM 468 N SER A 31 -3.645 16.173 0.745 1.00 0.00 N ATOM 469 CA SER A 31 -4.804 16.710 1.416 1.00 0.00 C ATOM 470 C SER A 31 -4.383 17.009 2.843 1.00 0.00 C ATOM 471 O SER A 31 -4.258 16.079 3.625 1.00 0.00 O ATOM 472 CB SER A 31 -5.916 15.662 1.348 1.00 0.00 C ATOM 473 OG SER A 31 -6.446 15.625 0.035 1.00 0.00 O ATOM 0 H SER A 31 -3.596 15.155 0.785 1.00 0.00 H new ATOM 0 HA SER A 31 -5.180 17.625 0.958 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.525 14.682 1.622 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.703 15.903 2.063 1.00 0.00 H new ATOM 0 HG SER A 31 -5.712 15.616 -0.614 1.00 0.00 H new ATOM 479 N SER A 32 -4.188 18.286 3.162 1.00 0.00 N ATOM 480 CA SER A 32 -3.689 18.917 4.390 1.00 0.00 C ATOM 481 C SER A 32 -4.165 18.390 5.766 1.00 0.00 C ATOM 482 O SER A 32 -3.764 18.934 6.799 1.00 0.00 O ATOM 483 CB SER A 32 -4.053 20.399 4.242 1.00 0.00 C ATOM 484 OG SER A 32 -5.431 20.539 3.911 1.00 0.00 O ATOM 0 H SER A 32 -4.406 19.004 2.471 1.00 0.00 H new ATOM 0 HA SER A 32 -2.626 18.681 4.443 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.840 20.927 5.171 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.438 20.856 3.467 1.00 0.00 H new ATOM 0 HG SER A 32 -5.651 21.490 3.821 1.00 0.00 H new ATOM 490 N THR A 33 -5.048 17.397 5.802 1.00 0.00 N ATOM 491 CA THR A 33 -5.782 16.837 6.922 1.00 0.00 C ATOM 492 C THR A 33 -5.506 15.340 7.103 1.00 0.00 C ATOM 493 O THR A 33 -5.897 14.736 8.100 1.00 0.00 O ATOM 494 CB THR A 33 -7.261 17.112 6.620 1.00 0.00 C ATOM 495 OG1 THR A 33 -7.993 17.380 7.801 1.00 0.00 O ATOM 496 CG2 THR A 33 -7.977 16.058 5.771 1.00 0.00 C ATOM 0 H THR A 33 -5.292 16.910 4.940 1.00 0.00 H new ATOM 0 HA THR A 33 -5.474 17.292 7.863 1.00 0.00 H new ATOM 0 HB THR A 33 -7.233 18.003 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.930 17.552 7.573 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.015 16.355 5.621 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.481 15.971 4.804 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.946 15.096 6.283 1.00 0.00 H new ATOM 504 N ILE A 34 -4.913 14.730 6.083 1.00 0.00 N ATOM 505 CA ILE A 34 -4.531 13.327 6.000 1.00 0.00 C ATOM 506 C ILE A 34 -3.523 12.961 7.107 1.00 0.00 C ATOM 507 O ILE A 34 -2.849 13.844 7.643 1.00 0.00 O ATOM 508 CB ILE A 34 -4.017 13.079 4.559 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.085 11.603 4.161 1.00 0.00 C ATOM 510 CG2 ILE A 34 -2.592 13.611 4.390 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.911 11.323 2.669 1.00 0.00 C ATOM 0 H ILE A 34 -4.670 15.239 5.233 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.378 12.665 6.181 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.681 13.626 3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.315 11.060 4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.047 11.201 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.253 13.426 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.578 14.683 4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.929 13.104 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.975 10.250 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.696 11.831 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.938 11.688 2.341 1.00 0.00 H new ATOM 523 N ILE A 35 -3.362 11.667 7.407 1.00 0.00 N ATOM 524 CA ILE A 35 -2.244 11.189 8.224 1.00 0.00 C ATOM 525 C ILE A 35 -1.148 10.643 7.310 1.00 0.00 C ATOM 526 O ILE A 35 0.023 10.972 7.503 1.00 0.00 O ATOM 527 CB ILE A 35 -2.666 10.151 9.273 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.725 10.725 10.232 1.00 0.00 C ATOM 529 CG2 ILE A 35 -1.488 9.639 10.109 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.940 9.817 10.256 1.00 0.00 C ATOM 0 H ILE A 35 -3.995 10.931 7.094 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.859 12.037 8.790 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.081 9.317 8.707 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.309 10.818 11.235 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.014 11.726 9.913 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.847 8.908 10.834 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.753 9.170 9.454 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.025 10.474 10.635 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.687 10.227 10.936 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.362 9.747 9.253 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.646 8.824 10.596 1.00 0.00 H new ATOM 542 N GLY A 36 -1.504 9.797 6.338 1.00 0.00 N ATOM 543 CA GLY A 36 -0.516 9.119 5.510 1.00 0.00 C ATOM 544 C GLY A 36 -1.148 8.027 4.633 1.00 0.00 C ATOM 545 O GLY A 36 -2.371 7.988 4.442 1.00 0.00 O ATOM 0 H GLY A 36 -2.472 9.569 6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.014 9.849 4.874 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.247 8.674 6.148 1.00 0.00 H new ATOM 549 N TYR A 37 -0.303 7.191 4.032 1.00 0.00 N ATOM 550 CA TYR A 37 -0.624 5.982 3.294 1.00 0.00 C ATOM 551 C TYR A 37 0.259 4.922 3.967 1.00 0.00 C ATOM 552 O TYR A 37 1.488 4.989 3.895 1.00 0.00 O ATOM 553 CB TYR A 37 -0.328 6.096 1.771 1.00 0.00 C ATOM 554 CG TYR A 37 -0.688 7.405 1.074 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.028 7.752 0.821 1.00 0.00 C ATOM 556 CD2 TYR A 37 0.330 8.281 0.657 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.348 8.964 0.174 1.00 0.00 C ATOM 558 CE2 TYR A 37 0.021 9.509 0.047 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.322 9.864 -0.201 1.00 0.00 C ATOM 560 OH TYR A 37 -1.614 11.119 -0.643 1.00 0.00 O ATOM 0 H TYR A 37 0.703 7.360 4.053 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.688 5.750 3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.737 5.919 1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.859 5.290 1.265 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.820 7.083 1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.364 8.006 0.808 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.379 9.206 -0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.816 10.184 -0.233 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.142 11.778 -0.092 1.00 0.00 H new ATOM 570 N ARG A 38 -0.335 4.026 4.750 1.00 0.00 N ATOM 571 CA ARG A 38 0.361 2.968 5.476 1.00 0.00 C ATOM 572 C ARG A 38 0.506 1.805 4.515 1.00 0.00 C ATOM 573 O ARG A 38 -0.512 1.322 4.017 1.00 0.00 O ATOM 574 CB ARG A 38 -0.464 2.590 6.712 1.00 0.00 C ATOM 575 CG ARG A 38 -0.066 1.286 7.430 1.00 0.00 C ATOM 576 CD ARG A 38 -1.301 0.382 7.477 1.00 0.00 C ATOM 577 NE ARG A 38 -1.050 -0.903 8.128 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.924 -1.901 8.275 1.00 0.00 C ATOM 579 NH1 ARG A 38 -3.203 -1.757 7.923 1.00 0.00 N ATOM 580 NH2 ARG A 38 -1.498 -3.050 8.775 1.00 0.00 N ATOM 0 H ARG A 38 -1.344 4.016 4.901 1.00 0.00 H new ATOM 0 HA ARG A 38 1.346 3.278 5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.399 3.408 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.509 2.510 6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.749 0.792 6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.291 1.498 8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.102 0.899 8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.652 0.205 6.461 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.115 -1.051 8.507 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.528 -0.872 7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.855 -2.532 8.043 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.519 -3.159 9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.149 -3.826 8.896 1.00 0.00 H new ATOM 594 N ILE A 39 1.729 1.359 4.248 1.00 0.00 N ATOM 595 CA ILE A 39 1.963 0.122 3.514 1.00 0.00 C ATOM 596 C ILE A 39 2.204 -0.974 4.547 1.00 0.00 C ATOM 597 O ILE A 39 2.689 -0.731 5.651 1.00 0.00 O ATOM 598 CB ILE A 39 3.076 0.298 2.450 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.547 1.201 1.310 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.537 -1.036 1.831 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.958 2.671 1.447 1.00 0.00 C ATOM 0 H ILE A 39 2.581 1.842 4.533 1.00 0.00 H new ATOM 0 HA ILE A 39 1.100 -0.172 2.917 1.00 0.00 H new ATOM 0 HB ILE A 39 3.932 0.743 2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.912 0.818 0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.459 1.138 1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.317 -0.845 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.929 -1.684 2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.691 -1.524 1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.551 3.242 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.571 3.071 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.045 2.747 1.442 1.00 0.00 H new ATOM 613 N THR A 40 1.791 -2.190 4.226 1.00 0.00 N ATOM 614 CA THR A 40 2.040 -3.380 5.009 1.00 0.00 C ATOM 615 C THR A 40 2.220 -4.542 4.040 1.00 0.00 C ATOM 616 O THR A 40 1.263 -5.102 3.513 1.00 0.00 O ATOM 617 CB THR A 40 0.912 -3.517 6.044 1.00 0.00 C ATOM 618 OG1 THR A 40 1.155 -2.541 7.039 1.00 0.00 O ATOM 619 CG2 THR A 40 0.845 -4.882 6.732 1.00 0.00 C ATOM 0 H THR A 40 1.253 -2.377 3.380 1.00 0.00 H new ATOM 0 HA THR A 40 2.958 -3.346 5.596 1.00 0.00 H new ATOM 0 HB THR A 40 -0.034 -3.393 5.517 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.820 -1.899 6.712 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.021 -4.890 7.445 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.685 -5.659 5.984 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.781 -5.071 7.257 1.00 0.00 H new ATOM 627 N VAL A 41 3.462 -4.917 3.760 1.00 0.00 N ATOM 628 CA VAL A 41 3.728 -6.211 3.146 1.00 0.00 C ATOM 629 C VAL A 41 3.553 -7.306 4.195 1.00 0.00 C ATOM 630 O VAL A 41 4.042 -7.198 5.326 1.00 0.00 O ATOM 631 CB VAL A 41 5.084 -6.276 2.404 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.870 -6.518 0.915 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.872 -4.953 2.443 1.00 0.00 C ATOM 0 H VAL A 41 4.291 -4.352 3.945 1.00 0.00 H new ATOM 0 HA VAL A 41 2.998 -6.373 2.353 1.00 0.00 H new ATOM 0 HB VAL A 41 5.627 -7.073 2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.835 -6.560 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.344 -7.462 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.277 -5.705 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.811 -5.073 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.283 -4.165 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.080 -4.684 3.479 1.00 0.00 H new ATOM 643 N VAL A 42 2.853 -8.365 3.811 1.00 0.00 N ATOM 644 CA VAL A 42 2.843 -9.654 4.482 1.00 0.00 C ATOM 645 C VAL A 42 3.193 -10.682 3.398 1.00 0.00 C ATOM 646 O VAL A 42 3.127 -10.365 2.204 1.00 0.00 O ATOM 647 CB VAL A 42 1.521 -9.898 5.244 1.00 0.00 C ATOM 648 CG1 VAL A 42 0.998 -8.655 5.968 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.400 -10.317 4.316 1.00 0.00 C ATOM 0 H VAL A 42 2.251 -8.346 2.988 1.00 0.00 H new ATOM 0 HA VAL A 42 3.579 -9.724 5.283 1.00 0.00 H new ATOM 0 HB VAL A 42 1.777 -10.681 5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.068 -8.898 6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.737 -8.319 6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.816 -7.861 5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.510 -10.478 4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.227 -9.534 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.675 -11.241 3.808 1.00 0.00 H new ATOM 659 N ALA A 43 3.549 -11.904 3.775 1.00 0.00 N ATOM 660 CA ALA A 43 3.696 -12.962 2.795 1.00 0.00 C ATOM 661 C ALA A 43 2.280 -13.357 2.403 1.00 0.00 C ATOM 662 O ALA A 43 1.409 -13.507 3.269 1.00 0.00 O ATOM 663 CB ALA A 43 4.441 -14.153 3.403 1.00 0.00 C ATOM 0 H ALA A 43 3.738 -12.180 4.739 1.00 0.00 H new ATOM 0 HA ALA A 43 4.274 -12.636 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.543 -14.939 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.430 -13.834 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.881 -14.535 4.256 1.00 0.00 H new ATOM 669 N ALA A 44 2.023 -13.550 1.119 1.00 0.00 N ATOM 670 CA ALA A 44 0.799 -14.214 0.717 1.00 0.00 C ATOM 671 C ALA A 44 0.812 -15.641 1.277 1.00 0.00 C ATOM 672 O ALA A 44 1.865 -16.192 1.613 1.00 0.00 O ATOM 673 CB ALA A 44 0.670 -14.232 -0.806 1.00 0.00 C ATOM 0 H ALA A 44 2.633 -13.262 0.354 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.060 -13.672 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.255 -14.735 -1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.656 -13.209 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.518 -14.765 -1.237 1.00 0.00 H new ATOM 708 N ILE A 48 2.081 -15.000 8.056 1.00 0.00 N ATOM 709 CA ILE A 48 3.411 -14.403 8.141 1.00 0.00 C ATOM 710 C ILE A 48 3.383 -12.909 7.757 1.00 0.00 C ATOM 711 O ILE A 48 3.218 -12.593 6.574 1.00 0.00 O ATOM 712 CB ILE A 48 4.399 -15.246 7.294 1.00 0.00 C ATOM 713 CG1 ILE A 48 4.687 -16.570 8.033 1.00 0.00 C ATOM 714 CG2 ILE A 48 5.708 -14.504 6.989 1.00 0.00 C ATOM 715 CD1 ILE A 48 5.557 -17.543 7.236 1.00 0.00 C ATOM 0 HA ILE A 48 3.764 -14.422 9.172 1.00 0.00 H new ATOM 0 HB ILE A 48 3.930 -15.443 6.330 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.180 -16.348 8.979 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.741 -17.055 8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.359 -15.144 6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.489 -13.592 6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.207 -14.248 7.923 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.717 -18.450 7.819 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.057 -17.796 6.301 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.518 -17.077 7.019 1.00 0.00 H new ATOM 727 N PRO A 49 3.498 -11.978 8.725 1.00 0.00 N ATOM 728 CA PRO A 49 3.848 -10.599 8.422 1.00 0.00 C ATOM 729 C PRO A 49 5.231 -10.510 7.755 1.00 0.00 C ATOM 730 O PRO A 49 6.077 -11.391 7.921 1.00 0.00 O ATOM 731 CB PRO A 49 3.878 -9.881 9.776 1.00 0.00 C ATOM 732 CG PRO A 49 3.217 -10.836 10.764 1.00 0.00 C ATOM 733 CD PRO A 49 3.538 -12.193 10.159 1.00 0.00 C ATOM 0 HA PRO A 49 3.134 -10.155 7.729 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.901 -9.654 10.076 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.341 -8.933 9.729 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.626 -10.731 11.769 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.143 -10.667 10.838 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.518 -12.547 10.479 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.812 -12.945 10.467 1.00 0.00 H new ATOM 741 N ILE A 50 5.497 -9.388 7.082 1.00 0.00 N ATOM 742 CA ILE A 50 6.834 -9.019 6.632 1.00 0.00 C ATOM 743 C ILE A 50 7.166 -7.757 7.426 1.00 0.00 C ATOM 744 O ILE A 50 7.670 -7.899 8.538 1.00 0.00 O ATOM 745 CB ILE A 50 6.932 -8.949 5.088 1.00 0.00 C ATOM 746 CG1 ILE A 50 6.497 -10.240 4.374 1.00 0.00 C ATOM 747 CG2 ILE A 50 8.304 -8.464 4.601 1.00 0.00 C ATOM 748 CD1 ILE A 50 7.556 -11.321 4.418 1.00 0.00 C ATOM 0 H ILE A 50 4.781 -8.706 6.834 1.00 0.00 H new ATOM 0 HA ILE A 50 7.602 -9.765 6.835 1.00 0.00 H new ATOM 0 HB ILE A 50 6.202 -8.192 4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.583 -10.614 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.260 -10.013 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.314 -8.435 3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.497 -7.465 4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.077 -9.147 4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.193 -12.208 3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.463 -10.962 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.776 -11.573 5.455 1.00 0.00 H new ATOM 760 N PHE A 51 6.808 -6.544 6.988 1.00 0.00 N ATOM 761 CA PHE A 51 6.975 -5.330 7.799 1.00 0.00 C ATOM 762 C PHE A 51 5.831 -4.350 7.540 1.00 0.00 C ATOM 763 O PHE A 51 5.055 -4.531 6.599 1.00 0.00 O ATOM 764 CB PHE A 51 8.368 -4.715 7.587 1.00 0.00 C ATOM 765 CG PHE A 51 8.531 -3.796 6.395 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.532 -4.305 5.083 1.00 0.00 C ATOM 767 CD2 PHE A 51 8.741 -2.421 6.604 1.00 0.00 C ATOM 768 CE1 PHE A 51 8.727 -3.444 3.990 1.00 0.00 C ATOM 769 CE2 PHE A 51 8.939 -1.563 5.513 1.00 0.00 C ATOM 770 CZ PHE A 51 8.925 -2.071 4.203 1.00 0.00 C ATOM 0 H PHE A 51 6.398 -6.376 6.069 1.00 0.00 H new ATOM 0 HA PHE A 51 6.921 -5.594 8.855 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.634 -4.158 8.485 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.088 -5.528 7.491 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.382 -5.361 4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.750 -2.025 7.609 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.725 -3.839 2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.103 -0.509 5.680 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.066 -1.407 3.363 1.00 0.00 H new ATOM 780 N GLU A 52 5.706 -3.312 8.361 1.00 0.00 N ATOM 781 CA GLU A 52 4.739 -2.223 8.212 1.00 0.00 C ATOM 782 C GLU A 52 5.530 -0.941 7.942 1.00 0.00 C ATOM 783 O GLU A 52 6.658 -0.821 8.425 1.00 0.00 O ATOM 784 CB GLU A 52 3.869 -2.096 9.472 1.00 0.00 C ATOM 785 CG GLU A 52 3.046 -3.359 9.768 1.00 0.00 C ATOM 786 CD GLU A 52 1.922 -3.066 10.763 1.00 0.00 C ATOM 787 OE1 GLU A 52 2.161 -3.058 11.989 1.00 0.00 O ATOM 788 OE2 GLU A 52 0.751 -2.877 10.355 1.00 0.00 O ATOM 0 H GLU A 52 6.299 -3.199 9.183 1.00 0.00 H new ATOM 0 HA GLU A 52 4.059 -2.419 7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.509 -1.878 10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.193 -1.249 9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.623 -3.746 8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.698 -4.135 10.170 1.00 0.00 H new ATOM 795 N ASP A 53 4.988 -0.018 7.146 1.00 0.00 N ATOM 796 CA ASP A 53 5.697 1.140 6.607 1.00 0.00 C ATOM 797 C ASP A 53 4.723 2.315 6.468 1.00 0.00 C ATOM 798 O ASP A 53 3.501 2.131 6.446 1.00 0.00 O ATOM 799 CB ASP A 53 6.292 0.766 5.245 1.00 0.00 C ATOM 800 CG ASP A 53 7.467 1.642 4.805 1.00 0.00 C ATOM 801 OD1 ASP A 53 7.742 2.687 5.427 1.00 0.00 O ATOM 802 OD2 ASP A 53 8.097 1.293 3.775 1.00 0.00 O ATOM 0 H ASP A 53 4.013 -0.059 6.850 1.00 0.00 H new ATOM 0 HA ASP A 53 6.503 1.437 7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.622 -0.272 5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.507 0.826 4.491 1.00 0.00 H new ATOM 807 N PHE A 54 5.246 3.529 6.337 1.00 0.00 N ATOM 808 CA PHE A 54 4.486 4.774 6.273 1.00 0.00 C ATOM 809 C PHE A 54 5.167 5.697 5.269 1.00 0.00 C ATOM 810 O PHE A 54 6.392 5.642 5.144 1.00 0.00 O ATOM 811 CB PHE A 54 4.541 5.432 7.669 1.00 0.00 C ATOM 812 CG PHE A 54 3.217 5.614 8.373 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.521 4.496 8.870 1.00 0.00 C ATOM 814 CD2 PHE A 54 2.719 6.911 8.604 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.321 4.670 9.581 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.532 7.082 9.335 1.00 0.00 C ATOM 817 CZ PHE A 54 0.828 5.965 9.809 1.00 0.00 C ATOM 0 H PHE A 54 6.253 3.680 6.270 1.00 0.00 H new ATOM 0 HA PHE A 54 3.454 4.590 5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.188 4.829 8.307 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.013 6.409 7.569 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.910 3.502 8.705 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.248 7.771 8.220 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.780 3.811 9.950 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.160 8.076 9.533 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.096 6.101 10.351 1.00 0.00 H new ATOM 827 N VAL A 55 4.443 6.615 4.638 1.00 0.00 N ATOM 828 CA VAL A 55 5.034 7.723 3.905 1.00 0.00 C ATOM 829 C VAL A 55 4.424 9.039 4.416 1.00 0.00 C ATOM 830 O VAL A 55 3.546 9.025 5.285 1.00 0.00 O ATOM 831 CB VAL A 55 4.885 7.460 2.384 1.00 0.00 C ATOM 832 CG1 VAL A 55 6.230 7.018 1.790 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.819 6.431 1.966 1.00 0.00 C ATOM 0 H VAL A 55 3.423 6.609 4.622 1.00 0.00 H new ATOM 0 HA VAL A 55 6.106 7.814 4.077 1.00 0.00 H new ATOM 0 HB VAL A 55 4.544 8.418 1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.114 6.836 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.972 7.801 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.561 6.102 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.811 6.336 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.051 5.465 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.839 6.763 2.308 1.00 0.00 H new ATOM 843 N ASP A 56 4.801 10.170 3.811 1.00 0.00 N ATOM 844 CA ASP A 56 4.640 11.497 4.407 1.00 0.00 C ATOM 845 C ASP A 56 3.192 11.921 4.609 1.00 0.00 C ATOM 846 O ASP A 56 2.780 12.277 5.708 1.00 0.00 O ATOM 847 CB ASP A 56 5.344 12.540 3.525 1.00 0.00 C ATOM 848 CG ASP A 56 5.542 13.888 4.227 1.00 0.00 C ATOM 849 OD1 ASP A 56 5.953 13.889 5.413 1.00 0.00 O ATOM 850 OD2 ASP A 56 5.449 14.939 3.546 1.00 0.00 O ATOM 0 H ASP A 56 5.230 10.189 2.886 1.00 0.00 H new ATOM 0 HA ASP A 56 5.088 11.438 5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.315 12.151 3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.760 12.692 2.617 1.00 0.00 H new ATOM 855 N SER A 57 2.463 11.946 3.493 1.00 0.00 N ATOM 856 CA SER A 57 1.140 12.521 3.225 1.00 0.00 C ATOM 857 C SER A 57 0.993 12.878 1.739 1.00 0.00 C ATOM 858 O SER A 57 -0.062 12.691 1.124 1.00 0.00 O ATOM 859 CB SER A 57 0.780 13.708 4.139 1.00 0.00 C ATOM 860 OG SER A 57 1.885 14.552 4.382 1.00 0.00 O ATOM 0 H SER A 57 2.831 11.509 2.648 1.00 0.00 H new ATOM 0 HA SER A 57 0.414 11.746 3.469 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.022 14.286 3.680 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.399 13.330 5.088 1.00 0.00 H new ATOM 0 HG SER A 57 1.610 15.291 4.964 1.00 0.00 H new ATOM 866 N SER A 58 2.069 13.386 1.144 1.00 0.00 N ATOM 867 CA SER A 58 2.066 14.052 -0.153 1.00 0.00 C ATOM 868 C SER A 58 2.659 13.193 -1.275 1.00 0.00 C ATOM 869 O SER A 58 2.852 13.658 -2.398 1.00 0.00 O ATOM 870 CB SER A 58 2.776 15.395 0.032 1.00 0.00 C ATOM 871 OG SER A 58 4.125 15.156 0.387 1.00 0.00 O ATOM 0 H SER A 58 2.997 13.343 1.566 1.00 0.00 H new ATOM 0 HA SER A 58 1.042 14.220 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.726 15.978 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.280 15.980 0.807 1.00 0.00 H new ATOM 0 HG SER A 58 4.588 16.011 0.506 1.00 0.00 H new ATOM 877 N VAL A 59 3.028 11.955 -0.957 1.00 0.00 N ATOM 878 CA VAL A 59 3.701 11.064 -1.896 1.00 0.00 C ATOM 879 C VAL A 59 2.668 10.530 -2.898 1.00 0.00 C ATOM 880 O VAL A 59 1.498 10.379 -2.544 1.00 0.00 O ATOM 881 CB VAL A 59 4.399 9.959 -1.079 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.072 8.887 -1.951 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.478 10.568 -0.170 1.00 0.00 C ATOM 0 H VAL A 59 2.868 11.541 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 59 4.466 11.574 -2.481 1.00 0.00 H new ATOM 0 HB VAL A 59 3.610 9.482 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.544 8.141 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.322 8.405 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.828 9.354 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.962 9.776 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.221 11.081 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.017 11.279 0.515 1.00 0.00 H new ATOM 893 N GLY A 60 3.100 10.222 -4.122 1.00 0.00 N ATOM 894 CA GLY A 60 2.343 9.557 -5.181 1.00 0.00 C ATOM 895 C GLY A 60 3.056 8.330 -5.752 1.00 0.00 C ATOM 896 O GLY A 60 2.542 7.662 -6.643 1.00 0.00 O ATOM 0 H GLY A 60 4.050 10.446 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.371 9.255 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.156 10.268 -5.986 1.00 0.00 H new ATOM 900 N TYR A 61 4.264 8.034 -5.295 1.00 0.00 N ATOM 901 CA TYR A 61 5.129 7.009 -5.862 1.00 0.00 C ATOM 902 C TYR A 61 6.170 6.644 -4.814 1.00 0.00 C ATOM 903 O TYR A 61 6.819 7.551 -4.285 1.00 0.00 O ATOM 904 CB TYR A 61 5.804 7.571 -7.122 1.00 0.00 C ATOM 905 CG TYR A 61 6.388 6.502 -8.010 1.00 0.00 C ATOM 906 CD1 TYR A 61 7.545 5.807 -7.613 1.00 0.00 C ATOM 907 CD2 TYR A 61 5.727 6.158 -9.204 1.00 0.00 C ATOM 908 CE1 TYR A 61 8.027 4.752 -8.399 1.00 0.00 C ATOM 909 CE2 TYR A 61 6.234 5.136 -10.019 1.00 0.00 C ATOM 910 CZ TYR A 61 7.394 4.438 -9.623 1.00 0.00 C ATOM 911 OH TYR A 61 7.916 3.504 -10.461 1.00 0.00 O ATOM 0 H TYR A 61 4.681 8.513 -4.497 1.00 0.00 H new ATOM 0 HA TYR A 61 4.562 6.120 -6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.075 8.148 -7.690 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.595 8.260 -6.826 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.060 6.086 -6.705 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.828 6.682 -9.493 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.881 4.179 -8.070 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.739 4.884 -10.945 1.00 0.00 H new ATOM 0 HH TYR A 61 8.398 2.829 -9.939 1.00 0.00 H new ATOM 921 N TYR A 62 6.353 5.358 -4.505 1.00 0.00 N ATOM 922 CA TYR A 62 7.379 4.943 -3.535 1.00 0.00 C ATOM 923 C TYR A 62 7.880 3.537 -3.905 1.00 0.00 C ATOM 924 O TYR A 62 7.293 2.886 -4.768 1.00 0.00 O ATOM 925 CB TYR A 62 6.816 5.124 -2.110 1.00 0.00 C ATOM 926 CG TYR A 62 7.551 4.500 -0.940 1.00 0.00 C ATOM 927 CD1 TYR A 62 8.920 4.777 -0.746 1.00 0.00 C ATOM 928 CD2 TYR A 62 6.839 3.824 0.067 1.00 0.00 C ATOM 929 CE1 TYR A 62 9.602 4.252 0.364 1.00 0.00 C ATOM 930 CE2 TYR A 62 7.498 3.373 1.224 1.00 0.00 C ATOM 931 CZ TYR A 62 8.892 3.551 1.359 1.00 0.00 C ATOM 932 OH TYR A 62 9.555 3.049 2.429 1.00 0.00 O ATOM 0 H TYR A 62 5.813 4.591 -4.905 1.00 0.00 H new ATOM 0 HA TYR A 62 8.272 5.568 -3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.744 6.195 -1.919 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.799 4.731 -2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.448 5.397 -1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.779 3.650 -0.049 1.00 0.00 H new ATOM 0 HE1 TYR A 62 10.670 4.386 0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.937 2.890 2.010 1.00 0.00 H new ATOM 0 HH TYR A 62 8.970 2.433 2.917 1.00 0.00 H new ATOM 942 N THR A 63 8.988 3.092 -3.313 1.00 0.00 N ATOM 943 CA THR A 63 9.680 1.843 -3.637 1.00 0.00 C ATOM 944 C THR A 63 10.014 1.075 -2.344 1.00 0.00 C ATOM 945 O THR A 63 10.470 1.664 -1.358 1.00 0.00 O ATOM 946 CB THR A 63 10.938 2.188 -4.468 1.00 0.00 C ATOM 947 OG1 THR A 63 10.566 2.709 -5.735 1.00 0.00 O ATOM 948 CG2 THR A 63 11.872 1.002 -4.723 1.00 0.00 C ATOM 0 H THR A 63 9.447 3.612 -2.565 1.00 0.00 H new ATOM 0 HA THR A 63 9.046 1.186 -4.232 1.00 0.00 H new ATOM 0 HB THR A 63 11.477 2.918 -3.864 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.372 2.925 -6.249 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.727 1.333 -5.312 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.220 0.602 -3.771 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.334 0.226 -5.268 1.00 0.00 H new ATOM 956 N VAL A 64 9.793 -0.242 -2.351 1.00 0.00 N ATOM 957 CA VAL A 64 10.159 -1.179 -1.290 1.00 0.00 C ATOM 958 C VAL A 64 11.517 -1.790 -1.663 1.00 0.00 C ATOM 959 O VAL A 64 11.966 -1.698 -2.806 1.00 0.00 O ATOM 960 CB VAL A 64 9.074 -2.269 -1.096 1.00 0.00 C ATOM 961 CG1 VAL A 64 9.092 -2.829 0.337 1.00 0.00 C ATOM 962 CG2 VAL A 64 7.615 -1.830 -1.334 1.00 0.00 C ATOM 0 H VAL A 64 9.332 -0.704 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 64 10.233 -0.658 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 64 9.348 -2.998 -1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.319 -3.591 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.067 -3.271 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.903 -2.022 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.949 -2.677 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.359 -1.027 -0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.504 -1.476 -2.359 1.00 0.00 H new ATOM 972 N THR A 65 12.197 -2.439 -0.725 1.00 0.00 N ATOM 973 CA THR A 65 13.313 -3.339 -1.005 1.00 0.00 C ATOM 974 C THR A 65 13.224 -4.502 0.011 1.00 0.00 C ATOM 975 O THR A 65 12.200 -4.653 0.689 1.00 0.00 O ATOM 976 CB THR A 65 14.645 -2.550 -0.938 1.00 0.00 C ATOM 977 OG1 THR A 65 14.526 -1.256 -1.516 1.00 0.00 O ATOM 978 CG2 THR A 65 15.820 -3.206 -1.665 1.00 0.00 C ATOM 0 H THR A 65 11.986 -2.354 0.269 1.00 0.00 H new ATOM 0 HA THR A 65 13.270 -3.760 -2.010 1.00 0.00 H new ATOM 0 HB THR A 65 14.848 -2.517 0.133 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.385 -0.789 -1.453 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.707 -2.580 -1.562 1.00 0.00 H new ATOM 0 HG22 THR A 65 16.015 -4.186 -1.230 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.577 -3.319 -2.721 1.00 0.00 H new ATOM 986 N GLY A 66 14.237 -5.366 0.091 1.00 0.00 N ATOM 987 CA GLY A 66 14.333 -6.449 1.070 1.00 0.00 C ATOM 988 C GLY A 66 13.360 -7.583 0.786 1.00 0.00 C ATOM 989 O GLY A 66 13.076 -8.395 1.672 1.00 0.00 O ATOM 0 H GLY A 66 15.036 -5.330 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.350 -6.841 1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.140 -6.051 2.066 1.00 0.00 H new ATOM 993 N LEU A 67 12.806 -7.616 -0.423 1.00 0.00 N ATOM 994 CA LEU A 67 11.943 -8.673 -0.895 1.00 0.00 C ATOM 995 C LEU A 67 12.782 -9.921 -1.138 1.00 0.00 C ATOM 996 O LEU A 67 13.991 -9.852 -1.369 1.00 0.00 O ATOM 997 CB LEU A 67 11.263 -8.179 -2.185 1.00 0.00 C ATOM 998 CG LEU A 67 9.828 -7.700 -1.899 1.00 0.00 C ATOM 999 CD1 LEU A 67 9.498 -6.400 -2.625 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.826 -8.781 -2.289 1.00 0.00 C ATOM 0 H LEU A 67 12.955 -6.882 -1.115 1.00 0.00 H new ATOM 0 HA LEU A 67 11.174 -8.927 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.843 -7.364 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.243 -8.983 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 67 9.760 -7.504 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.476 -6.103 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.186 -5.618 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.597 -6.549 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.815 -8.431 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.924 -9.001 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.022 -9.685 -1.712 1.00 0.00 H new ATOM 1012 N GLU A 68 12.123 -11.071 -1.151 1.00 0.00 N ATOM 1013 CA GLU A 68 12.715 -12.326 -1.554 1.00 0.00 C ATOM 1014 C GLU A 68 11.801 -12.899 -2.635 1.00 0.00 C ATOM 1015 O GLU A 68 10.677 -13.282 -2.308 1.00 0.00 O ATOM 1016 CB GLU A 68 12.911 -13.275 -0.368 1.00 0.00 C ATOM 1017 CG GLU A 68 14.382 -13.326 0.066 1.00 0.00 C ATOM 1018 CD GLU A 68 14.738 -14.687 0.640 1.00 0.00 C ATOM 1019 OE1 GLU A 68 15.153 -15.576 -0.145 1.00 0.00 O ATOM 1020 OE2 GLU A 68 14.690 -14.884 1.874 1.00 0.00 O ATOM 0 H GLU A 68 11.144 -11.153 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 68 13.721 -12.182 -1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.294 -12.948 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.575 -14.275 -0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.024 -13.109 -0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.571 -12.553 0.811 1.00 0.00 H new ATOM 1027 N PRO A 69 12.224 -12.883 -3.912 1.00 0.00 N ATOM 1028 CA PRO A 69 11.386 -13.280 -5.029 1.00 0.00 C ATOM 1029 C PRO A 69 11.094 -14.780 -4.981 1.00 0.00 C ATOM 1030 O PRO A 69 11.703 -15.550 -4.235 1.00 0.00 O ATOM 1031 CB PRO A 69 12.165 -12.869 -6.287 1.00 0.00 C ATOM 1032 CG PRO A 69 13.620 -12.953 -5.831 1.00 0.00 C ATOM 1033 CD PRO A 69 13.542 -12.492 -4.383 1.00 0.00 C ATOM 0 HA PRO A 69 10.408 -12.799 -5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.964 -13.539 -7.123 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.902 -11.863 -6.614 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.012 -13.967 -5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.269 -12.311 -6.426 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.325 -12.955 -3.783 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.680 -11.413 -4.308 1.00 0.00 H new ATOM 1041 N GLY A 70 10.144 -15.216 -5.802 1.00 0.00 N ATOM 1042 CA GLY A 70 9.665 -16.589 -5.853 1.00 0.00 C ATOM 1043 C GLY A 70 8.543 -16.805 -4.847 1.00 0.00 C ATOM 1044 O GLY A 70 7.637 -17.595 -5.110 1.00 0.00 O ATOM 0 H GLY A 70 9.674 -14.604 -6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.309 -16.818 -6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.486 -17.274 -5.642 1.00 0.00 H new ATOM 1048 N ILE A 71 8.553 -16.098 -3.719 1.00 0.00 N ATOM 1049 CA ILE A 71 7.437 -16.072 -2.787 1.00 0.00 C ATOM 1050 C ILE A 71 6.462 -14.999 -3.287 1.00 0.00 C ATOM 1051 O ILE A 71 6.828 -14.097 -4.049 1.00 0.00 O ATOM 1052 CB ILE A 71 7.975 -15.892 -1.345 1.00 0.00 C ATOM 1053 CG1 ILE A 71 8.471 -17.242 -0.775 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.930 -15.362 -0.344 1.00 0.00 C ATOM 1055 CD1 ILE A 71 9.649 -17.903 -1.500 1.00 0.00 C ATOM 0 H ILE A 71 9.344 -15.524 -3.427 1.00 0.00 H new ATOM 0 HA ILE A 71 6.877 -17.006 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 71 8.776 -15.159 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.755 -17.088 0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.634 -17.941 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.386 -15.264 0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.570 -14.388 -0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.093 -16.058 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.901 -18.841 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.373 -18.102 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.511 -17.237 -1.476 1.00 0.00 H new ATOM 1067 N ASP A 72 5.197 -15.154 -2.913 1.00 0.00 N ATOM 1068 CA ASP A 72 4.091 -14.260 -3.233 1.00 0.00 C ATOM 1069 C ASP A 72 3.809 -13.388 -2.006 1.00 0.00 C ATOM 1070 O ASP A 72 3.972 -13.854 -0.874 1.00 0.00 O ATOM 1071 CB ASP A 72 2.911 -15.129 -3.702 1.00 0.00 C ATOM 1072 CG ASP A 72 1.785 -14.372 -4.408 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.801 -13.125 -4.423 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.953 -15.075 -5.030 1.00 0.00 O ATOM 0 H ASP A 72 4.900 -15.950 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 72 4.310 -13.568 -4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.291 -15.896 -4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.494 -15.645 -2.837 1.00 0.00 H new ATOM 1079 N TYR A 73 3.465 -12.114 -2.210 1.00 0.00 N ATOM 1080 CA TYR A 73 3.504 -11.059 -1.194 1.00 0.00 C ATOM 1081 C TYR A 73 2.223 -10.240 -1.248 1.00 0.00 C ATOM 1082 O TYR A 73 1.943 -9.595 -2.261 1.00 0.00 O ATOM 1083 CB TYR A 73 4.695 -10.112 -1.421 1.00 0.00 C ATOM 1084 CG TYR A 73 6.022 -10.601 -0.884 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.700 -11.633 -1.550 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.610 -9.985 0.240 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.939 -12.082 -1.075 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.877 -10.398 0.691 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.531 -11.475 0.051 1.00 0.00 C ATOM 1090 OH TYR A 73 9.751 -11.893 0.478 1.00 0.00 O ATOM 0 H TYR A 73 3.141 -11.777 -3.117 1.00 0.00 H new ATOM 0 HA TYR A 73 3.609 -11.540 -0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.798 -9.935 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.467 -9.151 -0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.266 -12.082 -2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.086 -9.194 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.443 -12.897 -1.574 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.348 -9.894 1.522 1.00 0.00 H new ATOM 0 HH TYR A 73 10.099 -12.571 -0.138 1.00 0.00 H new ATOM 1100 N ASP A 74 1.468 -10.195 -0.148 1.00 0.00 N ATOM 1101 CA ASP A 74 0.295 -9.344 -0.041 1.00 0.00 C ATOM 1102 C ASP A 74 0.766 -7.972 0.398 1.00 0.00 C ATOM 1103 O ASP A 74 0.949 -7.719 1.593 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.739 -9.880 0.956 1.00 0.00 C ATOM 1105 CG ASP A 74 -1.835 -10.713 0.308 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -1.613 -11.907 0.015 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -2.962 -10.188 0.135 1.00 0.00 O ATOM 0 H ASP A 74 1.657 -10.748 0.688 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.202 -9.310 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.229 -10.485 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.195 -9.040 1.481 1.00 0.00 H new ATOM 1112 N ILE A 75 0.967 -7.074 -0.561 1.00 0.00 N ATOM 1113 CA ILE A 75 1.296 -5.691 -0.261 1.00 0.00 C ATOM 1114 C ILE A 75 -0.049 -4.987 -0.023 1.00 0.00 C ATOM 1115 O ILE A 75 -0.807 -4.762 -0.977 1.00 0.00 O ATOM 1116 CB ILE A 75 2.116 -5.044 -1.397 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.254 -5.940 -1.958 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.646 -3.697 -0.865 1.00 0.00 C ATOM 1119 CD1 ILE A 75 2.872 -6.637 -3.269 1.00 0.00 C ATOM 0 H ILE A 75 0.907 -7.284 -1.557 1.00 0.00 H new ATOM 0 HA ILE A 75 1.933 -5.608 0.619 1.00 0.00 H new ATOM 0 HB ILE A 75 1.464 -4.897 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.143 -5.330 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.517 -6.693 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.233 -3.205 -1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.806 -3.060 -0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.273 -3.872 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.706 -7.249 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.001 -7.271 -3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.637 -5.887 -4.024 1.00 0.00 H new ATOM 1131 N SER A 76 -0.386 -4.684 1.236 1.00 0.00 N ATOM 1132 CA SER A 76 -1.499 -3.793 1.561 1.00 0.00 C ATOM 1133 C SER A 76 -1.009 -2.366 1.607 1.00 0.00 C ATOM 1134 O SER A 76 0.139 -2.109 1.957 1.00 0.00 O ATOM 1135 CB SER A 76 -2.238 -4.192 2.854 1.00 0.00 C ATOM 1136 OG SER A 76 -1.400 -4.566 3.918 1.00 0.00 O ATOM 0 H SER A 76 0.104 -5.049 2.053 1.00 0.00 H new ATOM 0 HA SER A 76 -2.242 -3.888 0.769 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.858 -3.355 3.175 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.911 -5.020 2.631 1.00 0.00 H new ATOM 0 HG SER A 76 -0.467 -4.561 3.617 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.891 -1.449 1.224 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.687 -0.021 1.239 1.00 0.00 C ATOM 1144 C VAL A 77 -3.043 0.574 1.648 1.00 0.00 C ATOM 1145 O VAL A 77 -4.041 0.454 0.920 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.168 0.469 -0.129 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.871 1.987 -0.082 1.00 0.00 C ATOM 1148 CG2 VAL A 77 0.047 -0.352 -0.634 1.00 0.00 C ATOM 0 H VAL A 77 -2.815 -1.705 0.877 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.919 0.297 1.944 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.959 0.303 -0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.506 2.317 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.784 2.529 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.114 2.186 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.371 0.035 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.864 -0.271 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.240 -1.398 -0.740 1.00 0.00 H new ATOM 1158 N ILE A 78 -3.111 1.169 2.837 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.323 1.766 3.387 1.00 0.00 C ATOM 1160 C ILE A 78 -4.084 3.275 3.436 1.00 0.00 C ATOM 1161 O ILE A 78 -3.051 3.718 3.934 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.714 1.136 4.741 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.774 -0.406 4.579 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -6.063 1.737 5.189 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -5.711 -1.164 5.524 1.00 0.00 C ATOM 0 H ILE A 78 -2.306 1.251 3.458 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.190 1.565 2.758 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.977 1.355 5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.072 -0.629 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.767 -0.801 4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.355 1.303 6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.962 2.817 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.826 1.516 4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.660 -2.231 5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.407 -0.988 6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.733 -0.813 5.382 1.00 0.00 H new ATOM 1177 N THR A 79 -5.009 4.069 2.902 1.00 0.00 N ATOM 1178 CA THR A 79 -5.017 5.520 3.067 1.00 0.00 C ATOM 1179 C THR A 79 -5.670 5.847 4.414 1.00 0.00 C ATOM 1180 O THR A 79 -6.701 5.261 4.752 1.00 0.00 O ATOM 1181 CB THR A 79 -5.781 6.138 1.889 1.00 0.00 C ATOM 1182 OG1 THR A 79 -5.035 5.921 0.712 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.934 7.655 2.001 1.00 0.00 C ATOM 0 H THR A 79 -5.782 3.719 2.336 1.00 0.00 H new ATOM 0 HA THR A 79 -4.009 5.934 3.069 1.00 0.00 H new ATOM 0 HB THR A 79 -6.767 5.674 1.882 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.617 5.539 0.022 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.483 8.030 1.137 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.480 7.899 2.912 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.948 8.119 2.034 1.00 0.00 H new ATOM 1191 N LEU A 80 -5.072 6.757 5.192 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.558 7.194 6.494 1.00 0.00 C ATOM 1193 C LEU A 80 -5.705 8.710 6.410 1.00 0.00 C ATOM 1194 O LEU A 80 -4.715 9.414 6.217 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.621 6.789 7.654 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.277 6.113 7.343 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.371 6.125 8.577 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -3.425 4.652 6.919 1.00 0.00 C ATOM 0 H LEU A 80 -4.207 7.222 4.917 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.508 6.708 6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.408 7.689 8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.180 6.118 8.306 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.849 6.685 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.424 5.642 8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.186 7.155 8.883 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.857 5.587 9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.441 4.231 6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.901 4.087 7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.039 4.594 6.020 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.941 9.205 6.486 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.317 10.604 6.304 1.00 0.00 C ATOM 1212 C ILE A 81 -7.699 11.227 7.657 1.00 0.00 C ATOM 1213 O ILE A 81 -7.434 10.627 8.693 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.387 10.754 5.195 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.768 10.261 5.655 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.968 10.015 3.910 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.892 10.602 4.673 1.00 0.00 C ATOM 0 H ILE A 81 -7.745 8.610 6.686 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.462 11.176 5.943 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.464 11.820 4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.732 9.181 5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.998 10.700 6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.740 10.139 3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.028 10.428 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.839 8.954 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.839 10.225 5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.954 11.684 4.552 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.684 10.140 3.708 1.00 0.00 H new ATOM 1229 N ASN A 82 -8.306 12.424 7.658 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.941 12.991 8.850 1.00 0.00 C ATOM 1231 C ASN A 82 -9.764 11.916 9.563 1.00 0.00 C ATOM 1232 O ASN A 82 -10.787 11.491 9.025 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.840 14.192 8.500 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.889 14.428 9.587 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -10.576 14.883 10.683 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -12.142 14.098 9.331 1.00 0.00 N ATOM 0 H ASN A 82 -8.368 13.022 6.834 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.151 13.347 9.511 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.228 15.086 8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.335 14.014 7.545 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.858 14.221 10.047 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.394 13.721 8.417 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.286 11.495 10.738 1.00 0.00 N ATOM 1244 CA GLY A 83 -9.861 10.490 11.622 1.00 0.00 C ATOM 1245 C GLY A 83 -10.741 9.463 10.911 1.00 0.00 C ATOM 1246 O GLY A 83 -11.954 9.415 11.162 1.00 0.00 O ATOM 0 H GLY A 83 -8.422 11.880 11.120 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.053 9.968 12.134 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.453 10.991 12.388 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.153 8.679 10.015 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.851 7.728 9.178 1.00 0.00 C ATOM 1252 C GLY A 84 -9.846 7.109 8.220 1.00 0.00 C ATOM 1253 O GLY A 84 -8.799 7.699 7.949 1.00 0.00 O ATOM 0 H GLY A 84 -9.146 8.693 9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.319 6.956 9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.649 8.223 8.624 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.149 5.933 7.680 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.261 5.209 6.782 1.00 0.00 C ATOM 1259 C GLU A 85 -10.097 4.609 5.667 1.00 0.00 C ATOM 1260 O GLU A 85 -11.254 4.240 5.895 1.00 0.00 O ATOM 1261 CB GLU A 85 -8.541 4.078 7.535 1.00 0.00 C ATOM 1262 CG GLU A 85 -7.502 4.554 8.562 1.00 0.00 C ATOM 1263 CD GLU A 85 -7.824 4.069 9.972 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -7.381 2.944 10.310 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -8.484 4.796 10.746 1.00 0.00 O ATOM 0 H GLU A 85 -11.030 5.451 7.857 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.513 5.893 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.286 3.468 8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.046 3.433 6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.515 4.194 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.459 5.643 8.555 1.00 0.00 H new ATOM 1272 N SER A 86 -9.502 4.458 4.490 1.00 0.00 N ATOM 1273 CA SER A 86 -10.171 3.897 3.328 1.00 0.00 C ATOM 1274 C SER A 86 -10.092 2.364 3.366 1.00 0.00 C ATOM 1275 O SER A 86 -9.552 1.762 4.306 1.00 0.00 O ATOM 1276 CB SER A 86 -9.579 4.481 2.045 1.00 0.00 C ATOM 1277 OG SER A 86 -9.078 5.796 2.228 1.00 0.00 O ATOM 0 H SER A 86 -8.533 4.725 4.316 1.00 0.00 H new ATOM 0 HA SER A 86 -11.227 4.168 3.346 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.775 3.835 1.693 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.343 4.492 1.268 1.00 0.00 H new ATOM 0 HG SER A 86 -9.558 6.414 1.638 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.638 1.723 2.336 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.715 0.275 2.225 1.00 0.00 C ATOM 1285 C ALA A 87 -9.304 -0.292 2.055 1.00 0.00 C ATOM 1286 O ALA A 87 -8.461 0.358 1.426 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.589 -0.113 1.026 1.00 0.00 C ATOM 0 H ALA A 87 -11.048 2.210 1.539 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.164 -0.137 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.641 -1.199 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.593 0.290 1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.155 0.294 0.113 1.00 0.00 H new ATOM 1293 N PRO A 88 -9.026 -1.513 2.539 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.745 -2.159 2.325 1.00 0.00 C ATOM 1295 C PRO A 88 -7.615 -2.480 0.834 1.00 0.00 C ATOM 1296 O PRO A 88 -8.238 -3.400 0.301 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.750 -3.408 3.208 1.00 0.00 C ATOM 1298 CG PRO A 88 -9.234 -3.744 3.352 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.938 -2.392 3.252 1.00 0.00 C ATOM 0 HA PRO A 88 -6.889 -1.539 2.591 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.197 -4.226 2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.287 -3.216 4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.566 -4.424 2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.441 -4.231 4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.885 -2.484 2.721 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.165 -1.997 4.242 1.00 0.00 H new ATOM 1307 N THR A 89 -6.837 -1.658 0.146 1.00 0.00 N ATOM 1308 CA THR A 89 -6.507 -1.795 -1.253 1.00 0.00 C ATOM 1309 C THR A 89 -5.212 -2.609 -1.262 1.00 0.00 C ATOM 1310 O THR A 89 -4.136 -2.075 -0.990 1.00 0.00 O ATOM 1311 CB THR A 89 -6.406 -0.378 -1.845 1.00 0.00 C ATOM 1312 OG1 THR A 89 -7.612 0.325 -1.589 1.00 0.00 O ATOM 1313 CG2 THR A 89 -6.204 -0.372 -3.354 1.00 0.00 C ATOM 0 H THR A 89 -6.401 -0.841 0.574 1.00 0.00 H new ATOM 0 HA THR A 89 -7.239 -2.313 -1.872 1.00 0.00 H new ATOM 0 HB THR A 89 -5.541 0.088 -1.374 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.550 1.228 -1.964 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.141 0.657 -3.709 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.281 -0.898 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.045 -0.871 -3.836 1.00 0.00 H new ATOM 1321 N THR A 90 -5.320 -3.929 -1.389 1.00 0.00 N ATOM 1322 CA THR A 90 -4.194 -4.864 -1.352 1.00 0.00 C ATOM 1323 C THR A 90 -4.090 -5.463 -2.761 1.00 0.00 C ATOM 1324 O THR A 90 -5.096 -5.506 -3.489 1.00 0.00 O ATOM 1325 CB THR A 90 -4.430 -5.904 -0.230 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.807 -5.249 0.974 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.221 -6.799 0.077 1.00 0.00 C ATOM 0 H THR A 90 -6.218 -4.393 -1.524 1.00 0.00 H new ATOM 0 HA THR A 90 -3.242 -4.392 -1.108 1.00 0.00 H new ATOM 0 HB THR A 90 -5.223 -6.550 -0.608 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.955 -5.916 1.677 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.478 -7.496 0.875 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.945 -7.357 -0.818 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.381 -6.180 0.392 1.00 0.00 H new ATOM 1335 N LEU A 91 -2.885 -5.830 -3.206 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.665 -6.247 -4.590 1.00 0.00 C ATOM 1337 C LEU A 91 -1.574 -7.322 -4.650 1.00 0.00 C ATOM 1338 O LEU A 91 -0.486 -7.107 -5.175 1.00 0.00 O ATOM 1339 CB LEU A 91 -2.400 -5.010 -5.473 1.00 0.00 C ATOM 1340 CG LEU A 91 -3.093 -5.045 -6.845 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -2.895 -3.684 -7.524 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -2.555 -6.154 -7.757 1.00 0.00 C ATOM 0 H LEU A 91 -2.047 -5.846 -2.625 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.559 -6.717 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.729 -4.120 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.325 -4.912 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.149 -5.257 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.381 -3.690 -8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.334 -2.901 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.830 -3.492 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.082 -6.129 -8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.489 -6.000 -7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.710 -7.123 -7.282 1.00 0.00 H new ATOM 1354 N THR A 92 -1.875 -8.506 -4.126 1.00 0.00 N ATOM 1355 CA THR A 92 -0.882 -9.560 -3.930 1.00 0.00 C ATOM 1356 C THR A 92 -0.499 -10.150 -5.291 1.00 0.00 C ATOM 1357 O THR A 92 -1.381 -10.363 -6.143 1.00 0.00 O ATOM 1358 CB THR A 92 -1.462 -10.606 -2.959 1.00 0.00 C ATOM 1359 OG1 THR A 92 -0.475 -11.431 -2.420 1.00 0.00 O ATOM 1360 CG2 THR A 92 -2.552 -11.529 -3.505 1.00 0.00 C ATOM 0 H THR A 92 -2.815 -8.763 -3.825 1.00 0.00 H new ATOM 0 HA THR A 92 0.033 -9.171 -3.485 1.00 0.00 H new ATOM 0 HB THR A 92 -1.925 -9.963 -2.210 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.801 -11.829 -1.586 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.873 -12.216 -2.722 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.402 -10.932 -3.835 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.159 -12.098 -4.348 1.00 0.00 H new ATOM 1368 N GLN A 93 0.803 -10.306 -5.523 1.00 0.00 N ATOM 1369 CA GLN A 93 1.429 -10.761 -6.765 1.00 0.00 C ATOM 1370 C GLN A 93 2.819 -11.312 -6.442 1.00 0.00 C ATOM 1371 O GLN A 93 3.557 -10.743 -5.630 1.00 0.00 O ATOM 1372 CB GLN A 93 1.566 -9.592 -7.765 1.00 0.00 C ATOM 1373 CG GLN A 93 0.448 -9.543 -8.817 1.00 0.00 C ATOM 1374 CD GLN A 93 0.751 -10.399 -10.048 1.00 0.00 C ATOM 1375 OE1 GLN A 93 1.449 -9.966 -10.964 1.00 0.00 O ATOM 1376 NE2 GLN A 93 0.217 -11.607 -10.127 1.00 0.00 N ATOM 0 H GLN A 93 1.495 -10.105 -4.801 1.00 0.00 H new ATOM 0 HA GLN A 93 0.807 -11.534 -7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.574 -8.652 -7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 93 2.527 -9.671 -8.273 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.484 -9.882 -8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.294 -8.510 -9.128 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.361 -11.960 -9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.383 -12.185 -10.951 1.00 0.00 H new ATOM 1385 N GLN A 94 3.196 -12.391 -7.126 1.00 0.00 N ATOM 1386 CA GLN A 94 4.434 -13.108 -6.883 1.00 0.00 C ATOM 1387 C GLN A 94 5.553 -12.560 -7.757 1.00 0.00 C ATOM 1388 O GLN A 94 5.294 -12.083 -8.868 1.00 0.00 O ATOM 1389 CB GLN A 94 4.182 -14.582 -7.191 1.00 0.00 C ATOM 1390 CG GLN A 94 5.320 -15.535 -6.809 1.00 0.00 C ATOM 1391 CD GLN A 94 4.907 -16.967 -7.079 1.00 0.00 C ATOM 1392 OE1 GLN A 94 4.469 -17.289 -8.181 1.00 0.00 O ATOM 1393 NE2 GLN A 94 5.020 -17.840 -6.105 1.00 0.00 N ATOM 0 H GLN A 94 2.635 -12.794 -7.877 1.00 0.00 H new ATOM 0 HA GLN A 94 4.745 -12.986 -5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.277 -14.896 -6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.987 -14.685 -8.258 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.216 -15.292 -7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.570 -15.412 -5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.387 -17.549 -5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.741 -18.810 -6.254 1.00 0.00 H new ATOM 1402 N THR A 95 6.798 -12.795 -7.324 1.00 0.00 N ATOM 1403 CA THR A 95 8.012 -12.379 -8.025 1.00 0.00 C ATOM 1404 C THR A 95 7.875 -10.900 -8.381 1.00 0.00 C ATOM 1405 O THR A 95 7.660 -10.132 -7.418 1.00 0.00 O ATOM 1406 CB THR A 95 8.341 -13.314 -9.215 1.00 0.00 C ATOM 1407 OG1 THR A 95 7.173 -13.755 -9.890 1.00 0.00 O ATOM 1408 CG2 THR A 95 9.084 -14.578 -8.792 1.00 0.00 C ATOM 1409 OXT THR A 95 7.975 -10.557 -9.577 1.00 0.00 O ATOM 0 H THR A 95 6.990 -13.292 -6.454 1.00 0.00 H new ATOM 0 HA THR A 95 8.885 -12.478 -7.380 1.00 0.00 H new ATOM 0 HB THR A 95 8.967 -12.703 -9.865 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.605 -12.984 -10.099 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.286 -15.192 -9.670 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.026 -14.304 -8.316 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.472 -15.142 -8.088 1.00 0.00 H new