USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 648 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 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 52:sc= 0.0128 USER MOD Single : A 35 THR OG1 : rot -52:sc= 0.127 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 42 GLN : amide:sc= -0.0142 X(o=-0.014,f=-0.023) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 134:sc= 1.96 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -33:sc= 0.208 USER MOD Single : A 75 SER OG : rot -83:sc= 0.502 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -160:sc= -0.285 USER MOD Single : A 84 ASN : amide:sc= -0.0571 K(o=-0.057,f=-1.2) USER MOD Single : A 85 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.4) USER MOD Single : A 87 SER OG : rot 74:sc=0.000411 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 31 11.100 -20.805 -4.401 1.00 0.00 N ATOM 2 CA GLY A 31 9.813 -21.319 -3.893 1.00 0.00 C ATOM 3 C GLY A 31 8.943 -21.740 -5.060 1.00 0.00 C ATOM 4 O GLY A 31 8.874 -21.008 -6.041 1.00 0.00 O ATOM 0 HA2 GLY A 31 9.984 -22.166 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.308 -20.551 -3.307 1.00 0.00 H new ATOM 8 N ASN A 32 8.362 -22.941 -4.984 1.00 0.00 N ATOM 9 CA ASN A 32 7.484 -23.540 -5.992 1.00 0.00 C ATOM 10 C ASN A 32 6.644 -24.649 -5.331 1.00 0.00 C ATOM 11 O ASN A 32 7.109 -25.273 -4.375 1.00 0.00 O ATOM 12 CB ASN A 32 8.321 -24.105 -7.163 1.00 0.00 C ATOM 13 CG ASN A 32 9.116 -25.358 -6.808 1.00 0.00 C ATOM 14 OD1 ASN A 32 8.788 -26.459 -7.215 1.00 0.00 O ATOM 15 ND2 ASN A 32 10.178 -25.230 -6.039 1.00 0.00 N ATOM 0 H ASN A 32 8.498 -23.551 -4.178 1.00 0.00 H new ATOM 0 HA ASN A 32 6.815 -22.780 -6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.655 -24.333 -7.995 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.011 -23.335 -7.508 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.725 -26.052 -5.784 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.453 -24.309 -5.698 1.00 0.00 H new ATOM 22 N GLY A 33 5.439 -24.908 -5.856 1.00 0.00 N ATOM 23 CA GLY A 33 4.523 -25.920 -5.323 1.00 0.00 C ATOM 24 C GLY A 33 4.120 -25.698 -3.856 1.00 0.00 C ATOM 25 O GLY A 33 4.339 -24.632 -3.281 1.00 0.00 O ATOM 0 H GLY A 33 5.071 -24.415 -6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.622 -25.937 -5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.990 -26.901 -5.415 1.00 0.00 H new ATOM 29 N SER A 34 3.504 -26.722 -3.257 1.00 0.00 N ATOM 30 CA SER A 34 3.040 -26.735 -1.866 1.00 0.00 C ATOM 31 C SER A 34 3.657 -27.911 -1.096 1.00 0.00 C ATOM 32 O SER A 34 3.009 -28.923 -0.834 1.00 0.00 O ATOM 33 CB SER A 34 1.504 -26.695 -1.814 1.00 0.00 C ATOM 34 OG SER A 34 0.892 -27.708 -2.602 1.00 0.00 O ATOM 0 H SER A 34 3.308 -27.596 -3.745 1.00 0.00 H new ATOM 0 HA SER A 34 3.386 -25.835 -1.357 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.179 -26.802 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.160 -25.719 -2.157 1.00 0.00 H new ATOM 0 HG SER A 34 1.276 -28.579 -2.371 1.00 0.00 H new ATOM 40 N THR A 35 4.940 -27.757 -0.738 1.00 0.00 N ATOM 41 CA THR A 35 5.773 -28.758 -0.038 1.00 0.00 C ATOM 42 C THR A 35 6.255 -28.261 1.336 1.00 0.00 C ATOM 43 O THR A 35 7.302 -28.667 1.837 1.00 0.00 O ATOM 44 CB THR A 35 6.913 -29.226 -0.961 1.00 0.00 C ATOM 45 OG1 THR A 35 7.456 -30.438 -0.488 1.00 0.00 O ATOM 46 CG2 THR A 35 8.036 -28.195 -1.142 1.00 0.00 C ATOM 0 H THR A 35 5.451 -26.897 -0.935 1.00 0.00 H new ATOM 0 HA THR A 35 5.159 -29.630 0.187 1.00 0.00 H new ATOM 0 HB THR A 35 6.461 -29.365 -1.943 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.693 -30.343 0.458 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.799 -28.601 -1.805 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.626 -27.283 -1.576 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.481 -27.968 -0.173 1.00 0.00 H new ATOM 54 N ILE A 36 5.499 -27.346 1.952 1.00 0.00 N ATOM 55 CA ILE A 36 5.803 -26.783 3.270 1.00 0.00 C ATOM 56 C ILE A 36 4.859 -27.394 4.323 1.00 0.00 C ATOM 57 O ILE A 36 3.769 -27.869 4.000 1.00 0.00 O ATOM 58 CB ILE A 36 5.740 -25.237 3.219 1.00 0.00 C ATOM 59 CG1 ILE A 36 6.518 -24.622 2.020 1.00 0.00 C ATOM 60 CG2 ILE A 36 6.285 -24.637 4.530 1.00 0.00 C ATOM 61 CD1 ILE A 36 5.621 -24.190 0.847 1.00 0.00 C ATOM 0 H ILE A 36 4.644 -26.970 1.541 1.00 0.00 H new ATOM 0 HA ILE A 36 6.820 -27.040 3.564 1.00 0.00 H new ATOM 0 HB ILE A 36 4.688 -24.985 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.081 -23.757 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.244 -25.350 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.235 -23.549 4.481 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.685 -24.990 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.321 -24.947 4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.238 -23.772 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.077 -25.055 0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.911 -23.437 1.190 1.00 0.00 H new ATOM 73 N THR A 37 5.288 -27.409 5.590 1.00 0.00 N ATOM 74 CA THR A 37 4.501 -27.824 6.759 1.00 0.00 C ATOM 75 C THR A 37 3.289 -26.913 6.998 1.00 0.00 C ATOM 76 O THR A 37 3.134 -25.892 6.345 1.00 0.00 O ATOM 77 CB THR A 37 5.386 -27.843 8.031 1.00 0.00 C ATOM 78 OG1 THR A 37 6.750 -27.583 7.769 1.00 0.00 O ATOM 79 CG2 THR A 37 5.308 -29.208 8.709 1.00 0.00 C ATOM 0 H THR A 37 6.234 -27.120 5.840 1.00 0.00 H new ATOM 0 HA THR A 37 4.132 -28.828 6.549 1.00 0.00 H new ATOM 0 HB THR A 37 4.996 -27.050 8.669 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.255 -27.607 8.609 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.934 -29.207 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.276 -29.416 8.990 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.658 -29.977 8.020 1.00 0.00 H new ATOM 87 N PHE A 38 2.438 -27.233 7.981 1.00 0.00 N ATOM 88 CA PHE A 38 1.294 -26.388 8.357 1.00 0.00 C ATOM 89 C PHE A 38 1.680 -25.172 9.226 1.00 0.00 C ATOM 90 O PHE A 38 0.868 -24.263 9.402 1.00 0.00 O ATOM 91 CB PHE A 38 0.239 -27.257 9.059 1.00 0.00 C ATOM 92 CG PHE A 38 -0.507 -28.187 8.118 1.00 0.00 C ATOM 93 CD1 PHE A 38 0.061 -29.415 7.723 1.00 0.00 C ATOM 94 CD2 PHE A 38 -1.772 -27.815 7.622 1.00 0.00 C ATOM 95 CE1 PHE A 38 -0.625 -30.258 6.831 1.00 0.00 C ATOM 96 CE2 PHE A 38 -2.461 -28.660 6.734 1.00 0.00 C ATOM 97 CZ PHE A 38 -1.886 -29.880 6.335 1.00 0.00 C ATOM 0 H PHE A 38 2.522 -28.083 8.538 1.00 0.00 H new ATOM 0 HA PHE A 38 0.885 -25.965 7.440 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.726 -27.851 9.833 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.479 -26.608 9.560 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.027 -29.709 8.107 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.214 -26.877 7.925 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.184 -31.196 6.527 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.432 -28.372 6.358 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.412 -30.526 5.648 1.00 0.00 H new ATOM 107 N ASP A 39 2.916 -25.120 9.742 1.00 0.00 N ATOM 108 CA ASP A 39 3.410 -24.031 10.595 1.00 0.00 C ATOM 109 C ASP A 39 3.310 -22.651 9.913 1.00 0.00 C ATOM 110 O ASP A 39 3.026 -21.654 10.581 1.00 0.00 O ATOM 111 CB ASP A 39 4.863 -24.321 11.014 1.00 0.00 C ATOM 112 CG ASP A 39 5.012 -25.526 11.963 1.00 0.00 C ATOM 113 OD1 ASP A 39 4.240 -25.619 12.945 1.00 0.00 O ATOM 114 OD2 ASP A 39 5.910 -26.360 11.719 1.00 0.00 O ATOM 0 H ASP A 39 3.612 -25.846 9.575 1.00 0.00 H new ATOM 0 HA ASP A 39 2.772 -23.990 11.478 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.460 -24.500 10.119 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.274 -23.436 11.500 1.00 0.00 H new ATOM 119 N GLU A 40 3.483 -22.590 8.583 1.00 0.00 N ATOM 120 CA GLU A 40 3.264 -21.373 7.789 1.00 0.00 C ATOM 121 C GLU A 40 1.853 -20.811 7.989 1.00 0.00 C ATOM 122 O GLU A 40 1.720 -19.640 8.336 1.00 0.00 O ATOM 123 CB GLU A 40 3.591 -21.598 6.298 1.00 0.00 C ATOM 124 CG GLU A 40 2.742 -22.681 5.608 1.00 0.00 C ATOM 125 CD GLU A 40 3.132 -22.961 4.152 1.00 0.00 C ATOM 126 OE1 GLU A 40 4.147 -22.390 3.692 1.00 0.00 O ATOM 127 OE2 GLU A 40 2.383 -23.723 3.499 1.00 0.00 O ATOM 0 H GLU A 40 3.781 -23.390 8.025 1.00 0.00 H new ATOM 0 HA GLU A 40 3.960 -20.619 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.457 -20.657 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.643 -21.869 6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.824 -23.607 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.695 -22.379 5.639 1.00 0.00 H new ATOM 134 N LEU A 41 0.814 -21.644 7.822 1.00 0.00 N ATOM 135 CA LEU A 41 -0.599 -21.284 7.947 1.00 0.00 C ATOM 136 C LEU A 41 -0.912 -20.776 9.354 1.00 0.00 C ATOM 137 O LEU A 41 -1.603 -19.766 9.495 1.00 0.00 O ATOM 138 CB LEU A 41 -1.493 -22.497 7.632 1.00 0.00 C ATOM 139 CG LEU A 41 -1.613 -22.856 6.140 1.00 0.00 C ATOM 140 CD1 LEU A 41 -2.371 -24.182 6.019 1.00 0.00 C ATOM 141 CD2 LEU A 41 -2.353 -21.759 5.361 1.00 0.00 C ATOM 0 H LEU A 41 0.946 -22.628 7.586 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.803 -20.488 7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.104 -23.363 8.167 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.492 -22.303 8.024 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.614 -22.947 5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.466 -24.452 4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.824 -24.963 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.363 -24.075 6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.422 -22.042 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.356 -21.636 5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.808 -20.819 5.449 1.00 0.00 H new ATOM 153 N GLN A 42 -0.380 -21.464 10.372 1.00 0.00 N ATOM 154 CA GLN A 42 -0.504 -21.075 11.775 1.00 0.00 C ATOM 155 C GLN A 42 0.006 -19.645 11.978 1.00 0.00 C ATOM 156 O GLN A 42 -0.782 -18.767 12.325 1.00 0.00 O ATOM 157 CB GLN A 42 0.245 -22.068 12.683 1.00 0.00 C ATOM 158 CG GLN A 42 -0.322 -23.494 12.651 1.00 0.00 C ATOM 159 CD GLN A 42 -1.656 -23.592 13.379 1.00 0.00 C ATOM 160 OE1 GLN A 42 -2.724 -23.401 12.821 1.00 0.00 O ATOM 161 NE2 GLN A 42 -1.644 -23.889 14.664 1.00 0.00 N ATOM 0 H GLN A 42 0.157 -22.321 10.237 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.558 -21.101 12.052 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.293 -22.098 12.384 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.216 -21.700 13.708 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.449 -23.811 11.616 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.392 -24.179 13.108 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.757 -24.051 15.142 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.521 -23.957 15.180 1.00 0.00 H new ATOM 170 N GLY A 43 1.298 -19.391 11.718 1.00 0.00 N ATOM 171 CA GLY A 43 1.886 -18.054 11.851 1.00 0.00 C ATOM 172 C GLY A 43 1.172 -16.994 10.995 1.00 0.00 C ATOM 173 O GLY A 43 0.948 -15.874 11.460 1.00 0.00 O ATOM 0 H GLY A 43 1.959 -20.104 11.411 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.852 -17.751 12.897 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.937 -18.096 11.565 1.00 0.00 H new ATOM 177 N LEU A 44 0.749 -17.375 9.781 1.00 0.00 N ATOM 178 CA LEU A 44 -0.004 -16.542 8.845 1.00 0.00 C ATOM 179 C LEU A 44 -1.297 -15.985 9.454 1.00 0.00 C ATOM 180 O LEU A 44 -1.477 -14.767 9.553 1.00 0.00 O ATOM 181 CB LEU A 44 -0.323 -17.343 7.567 1.00 0.00 C ATOM 182 CG LEU A 44 0.572 -17.005 6.363 1.00 0.00 C ATOM 183 CD1 LEU A 44 0.576 -18.183 5.383 1.00 0.00 C ATOM 184 CD2 LEU A 44 0.067 -15.729 5.671 1.00 0.00 C ATOM 0 H LEU A 44 0.932 -18.309 9.414 1.00 0.00 H new ATOM 0 HA LEU A 44 0.626 -15.687 8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.229 -18.406 7.787 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.363 -17.165 7.292 1.00 0.00 H new ATOM 0 HG LEU A 44 1.591 -16.827 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.210 -17.944 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.961 -19.071 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.440 -18.373 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.708 -15.499 4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.955 -15.883 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.089 -14.899 6.377 1.00 0.00 H new ATOM 196 N VAL A 45 -2.235 -16.869 9.815 1.00 0.00 N ATOM 197 CA VAL A 45 -3.521 -16.442 10.381 1.00 0.00 C ATOM 198 C VAL A 45 -3.383 -15.871 11.796 1.00 0.00 C ATOM 199 O VAL A 45 -4.160 -14.994 12.169 1.00 0.00 O ATOM 200 CB VAL A 45 -4.580 -17.552 10.276 1.00 0.00 C ATOM 201 CG1 VAL A 45 -4.273 -18.768 11.162 1.00 0.00 C ATOM 202 CG2 VAL A 45 -5.987 -17.008 10.572 1.00 0.00 C ATOM 0 H VAL A 45 -2.129 -17.880 9.726 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.880 -15.612 9.772 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.547 -17.902 9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.059 -19.514 11.041 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.315 -19.199 10.870 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.227 -18.456 12.205 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.714 -17.816 10.490 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.013 -16.597 11.581 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.233 -16.225 9.855 1.00 0.00 H new ATOM 212 N ASN A 46 -2.350 -16.292 12.538 1.00 0.00 N ATOM 213 CA ASN A 46 -1.998 -15.762 13.853 1.00 0.00 C ATOM 214 C ASN A 46 -1.730 -14.250 13.801 1.00 0.00 C ATOM 215 O ASN A 46 -2.372 -13.491 14.526 1.00 0.00 O ATOM 216 CB ASN A 46 -0.798 -16.565 14.391 1.00 0.00 C ATOM 217 CG ASN A 46 -0.295 -16.123 15.755 1.00 0.00 C ATOM 218 OD1 ASN A 46 -1.045 -15.996 16.709 1.00 0.00 O ATOM 219 ND2 ASN A 46 1.002 -15.930 15.900 1.00 0.00 N ATOM 0 H ASN A 46 -1.721 -17.032 12.227 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.835 -15.880 14.541 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.078 -17.617 14.446 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.021 -16.490 13.676 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.381 -15.674 16.812 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.626 -16.037 15.100 1.00 0.00 H new ATOM 226 N SER A 47 -0.787 -13.801 12.958 1.00 0.00 N ATOM 227 CA SER A 47 -0.360 -12.393 12.951 1.00 0.00 C ATOM 228 C SER A 47 0.272 -11.934 11.628 1.00 0.00 C ATOM 229 O SER A 47 1.259 -11.202 11.608 1.00 0.00 O ATOM 230 CB SER A 47 0.546 -12.125 14.163 1.00 0.00 C ATOM 231 OG SER A 47 1.682 -12.969 14.164 1.00 0.00 O ATOM 0 H SER A 47 -0.308 -14.389 12.276 1.00 0.00 H new ATOM 0 HA SER A 47 -1.258 -11.782 13.037 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.867 -11.083 14.154 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.021 -12.277 15.082 1.00 0.00 H new ATOM 0 HG SER A 47 2.236 -12.770 14.947 1.00 0.00 H new ATOM 237 N THR A 48 -0.307 -12.329 10.490 1.00 0.00 N ATOM 238 CA THR A 48 0.126 -11.877 9.157 1.00 0.00 C ATOM 239 C THR A 48 -1.076 -11.474 8.308 1.00 0.00 C ATOM 240 O THR A 48 -1.202 -10.302 7.959 1.00 0.00 O ATOM 241 CB THR A 48 0.980 -12.951 8.470 1.00 0.00 C ATOM 242 OG1 THR A 48 2.043 -13.332 9.310 1.00 0.00 O ATOM 243 CG2 THR A 48 1.599 -12.513 7.149 1.00 0.00 C ATOM 0 H THR A 48 -1.095 -12.976 10.464 1.00 0.00 H new ATOM 0 HA THR A 48 0.752 -10.992 9.275 1.00 0.00 H new ATOM 0 HB THR A 48 0.289 -13.769 8.268 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.582 -14.019 8.865 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.185 -13.332 6.733 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.809 -12.240 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.247 -11.653 7.318 1.00 0.00 H new ATOM 251 N VAL A 49 -1.998 -12.408 8.019 1.00 0.00 N ATOM 252 CA VAL A 49 -3.181 -12.108 7.194 1.00 0.00 C ATOM 253 C VAL A 49 -4.089 -11.082 7.880 1.00 0.00 C ATOM 254 O VAL A 49 -4.548 -10.143 7.238 1.00 0.00 O ATOM 255 CB VAL A 49 -3.943 -13.393 6.795 1.00 0.00 C ATOM 256 CG1 VAL A 49 -4.912 -13.904 7.869 1.00 0.00 C ATOM 257 CG2 VAL A 49 -4.723 -13.174 5.495 1.00 0.00 C ATOM 0 H VAL A 49 -1.947 -13.374 8.343 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.831 -11.656 6.266 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.174 -14.154 6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.407 -14.807 7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.359 -14.129 8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.660 -13.139 8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.253 -14.089 5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.441 -12.366 5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.031 -12.911 4.695 1.00 0.00 H new ATOM 267 N THR A 50 -4.293 -11.223 9.200 1.00 0.00 N ATOM 268 CA THR A 50 -5.154 -10.340 9.998 1.00 0.00 C ATOM 269 C THR A 50 -4.622 -8.908 10.023 1.00 0.00 C ATOM 270 O THR A 50 -5.413 -7.968 10.031 1.00 0.00 O ATOM 271 CB THR A 50 -5.351 -10.896 11.423 1.00 0.00 C ATOM 272 OG1 THR A 50 -6.462 -10.280 12.038 1.00 0.00 O ATOM 273 CG2 THR A 50 -4.140 -10.716 12.343 1.00 0.00 C ATOM 0 H THR A 50 -3.858 -11.964 9.749 1.00 0.00 H new ATOM 0 HA THR A 50 -6.132 -10.310 9.517 1.00 0.00 H new ATOM 0 HB THR A 50 -5.505 -11.967 11.291 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.578 -10.642 12.941 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.363 -11.134 13.324 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.279 -11.231 11.916 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.914 -9.654 12.444 1.00 0.00 H new ATOM 281 N GLN A 51 -3.293 -8.735 10.010 1.00 0.00 N ATOM 282 CA GLN A 51 -2.644 -7.429 10.044 1.00 0.00 C ATOM 283 C GLN A 51 -2.879 -6.647 8.743 1.00 0.00 C ATOM 284 O GLN A 51 -2.990 -5.421 8.778 1.00 0.00 O ATOM 285 CB GLN A 51 -1.146 -7.615 10.338 1.00 0.00 C ATOM 286 CG GLN A 51 -0.513 -6.334 10.904 1.00 0.00 C ATOM 287 CD GLN A 51 0.996 -6.486 11.066 1.00 0.00 C ATOM 288 OE1 GLN A 51 1.775 -6.197 10.171 1.00 0.00 O ATOM 289 NE2 GLN A 51 1.467 -6.945 12.208 1.00 0.00 N ATOM 0 H GLN A 51 -2.635 -9.513 9.975 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.086 -6.833 10.842 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.013 -8.431 11.049 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.629 -7.902 9.423 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.727 -5.496 10.240 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.963 -6.099 11.869 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.826 -7.190 12.963 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.473 -7.056 12.337 1.00 0.00 H new ATOM 298 N ALA A 52 -3.020 -7.352 7.612 1.00 0.00 N ATOM 299 CA ALA A 52 -3.243 -6.763 6.295 1.00 0.00 C ATOM 300 C ALA A 52 -4.536 -5.936 6.240 1.00 0.00 C ATOM 301 O ALA A 52 -4.516 -4.788 5.789 1.00 0.00 O ATOM 302 CB ALA A 52 -3.255 -7.882 5.246 1.00 0.00 C ATOM 0 H ALA A 52 -2.980 -8.371 7.593 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.430 -6.069 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.421 -7.453 4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.298 -8.403 5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.055 -8.586 5.475 1.00 0.00 H new ATOM 308 N ILE A 53 -5.652 -6.508 6.728 1.00 0.00 N ATOM 309 CA ILE A 53 -6.953 -5.825 6.806 1.00 0.00 C ATOM 310 C ILE A 53 -6.819 -4.555 7.653 1.00 0.00 C ATOM 311 O ILE A 53 -7.140 -3.463 7.182 1.00 0.00 O ATOM 312 CB ILE A 53 -8.071 -6.753 7.350 1.00 0.00 C ATOM 313 CG1 ILE A 53 -8.161 -8.092 6.576 1.00 0.00 C ATOM 314 CG2 ILE A 53 -9.434 -6.043 7.280 1.00 0.00 C ATOM 315 CD1 ILE A 53 -7.573 -9.249 7.386 1.00 0.00 C ATOM 0 H ILE A 53 -5.675 -7.465 7.082 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.251 -5.547 5.795 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.813 -6.979 8.385 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -9.203 -8.306 6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.629 -8.002 5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.209 -6.705 7.665 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.402 -5.134 7.881 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -9.657 -5.786 6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.653 -10.172 6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.524 -9.046 7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.122 -9.354 8.322 1.00 0.00 H new ATOM 327 N LEU A 54 -6.299 -4.694 8.881 1.00 0.00 N ATOM 328 CA LEU A 54 -6.107 -3.598 9.835 1.00 0.00 C ATOM 329 C LEU A 54 -5.301 -2.455 9.213 1.00 0.00 C ATOM 330 O LEU A 54 -5.704 -1.294 9.325 1.00 0.00 O ATOM 331 CB LEU A 54 -5.359 -4.096 11.084 1.00 0.00 C ATOM 332 CG LEU A 54 -5.993 -5.274 11.844 1.00 0.00 C ATOM 333 CD1 LEU A 54 -4.959 -5.898 12.793 1.00 0.00 C ATOM 334 CD2 LEU A 54 -7.263 -4.880 12.606 1.00 0.00 C ATOM 0 H LEU A 54 -5.993 -5.596 9.245 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.097 -3.234 10.111 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.352 -4.387 10.785 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.257 -3.260 11.776 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.300 -6.011 11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.413 -6.732 13.329 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.107 -6.258 12.217 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.622 -5.148 13.508 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.663 -5.753 13.122 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.024 -4.106 13.335 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.006 -4.501 11.904 1.00 0.00 H new ATOM 346 N PHE A 55 -4.158 -2.792 8.594 1.00 0.00 N ATOM 347 CA PHE A 55 -3.261 -1.859 7.921 1.00 0.00 C ATOM 348 C PHE A 55 -3.968 -1.139 6.772 1.00 0.00 C ATOM 349 O PHE A 55 -3.917 0.086 6.715 1.00 0.00 O ATOM 350 CB PHE A 55 -2.001 -2.587 7.432 1.00 0.00 C ATOM 351 CG PHE A 55 -0.873 -1.646 7.050 1.00 0.00 C ATOM 352 CD1 PHE A 55 -0.136 -0.999 8.060 1.00 0.00 C ATOM 353 CD2 PHE A 55 -0.548 -1.425 5.699 1.00 0.00 C ATOM 354 CE1 PHE A 55 0.914 -0.126 7.725 1.00 0.00 C ATOM 355 CE2 PHE A 55 0.521 -0.576 5.365 1.00 0.00 C ATOM 356 CZ PHE A 55 1.243 0.086 6.375 1.00 0.00 C ATOM 0 H PHE A 55 -3.828 -3.756 8.551 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.958 -1.099 8.641 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.653 -3.261 8.214 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -2.258 -3.204 6.571 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.378 -1.174 9.098 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.119 -1.907 4.920 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.466 0.380 8.503 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.789 -0.431 4.329 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.049 0.756 6.113 1.00 0.00 H new ATOM 366 N GLY A 56 -4.665 -1.872 5.893 1.00 0.00 N ATOM 367 CA GLY A 56 -5.442 -1.290 4.796 1.00 0.00 C ATOM 368 C GLY A 56 -6.511 -0.294 5.267 1.00 0.00 C ATOM 369 O GLY A 56 -6.664 0.768 4.660 1.00 0.00 O ATOM 0 H GLY A 56 -4.704 -2.891 5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.764 -0.785 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.924 -2.092 4.237 1.00 0.00 H new ATOM 373 N VAL A 57 -7.212 -0.610 6.366 1.00 0.00 N ATOM 374 CA VAL A 57 -8.239 0.257 6.970 1.00 0.00 C ATOM 375 C VAL A 57 -7.622 1.581 7.426 1.00 0.00 C ATOM 376 O VAL A 57 -7.981 2.646 6.915 1.00 0.00 O ATOM 377 CB VAL A 57 -8.949 -0.450 8.148 1.00 0.00 C ATOM 378 CG1 VAL A 57 -9.942 0.486 8.855 1.00 0.00 C ATOM 379 CG2 VAL A 57 -9.705 -1.714 7.708 1.00 0.00 C ATOM 0 H VAL A 57 -7.081 -1.488 6.869 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.990 0.468 6.209 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.154 -0.736 8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.421 -0.046 9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.410 1.353 9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.700 0.815 8.145 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.185 -2.171 8.574 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.463 -1.447 6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.004 -2.422 7.266 1.00 0.00 H new ATOM 389 N ARG A 58 -6.688 1.519 8.389 1.00 0.00 N ATOM 390 CA ARG A 58 -6.008 2.711 8.910 1.00 0.00 C ATOM 391 C ARG A 58 -5.234 3.457 7.824 1.00 0.00 C ATOM 392 O ARG A 58 -5.198 4.675 7.885 1.00 0.00 O ATOM 393 CB ARG A 58 -5.139 2.379 10.133 1.00 0.00 C ATOM 394 CG ARG A 58 -3.984 1.411 9.824 1.00 0.00 C ATOM 395 CD ARG A 58 -3.466 0.686 11.071 1.00 0.00 C ATOM 396 NE ARG A 58 -4.503 -0.171 11.680 1.00 0.00 N ATOM 397 CZ ARG A 58 -4.564 -0.572 12.945 1.00 0.00 C ATOM 398 NH1 ARG A 58 -3.583 -0.329 13.783 1.00 0.00 N ATOM 399 NH2 ARG A 58 -5.606 -1.231 13.395 1.00 0.00 N ATOM 0 H ARG A 58 -6.386 0.647 8.824 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.782 3.397 9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.728 3.304 10.538 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.769 1.944 10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.319 0.674 9.094 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.165 1.965 9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.602 0.077 10.804 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.126 1.419 11.802 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.252 -0.489 11.064 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.755 0.176 13.467 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.649 -0.645 14.751 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.384 -1.442 12.771 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.637 -1.532 14.369 1.00 0.00 H new ATOM 413 N SER A 59 -4.699 2.766 6.811 1.00 0.00 N ATOM 414 CA SER A 59 -4.064 3.363 5.631 1.00 0.00 C ATOM 415 C SER A 59 -5.012 4.315 4.897 1.00 0.00 C ATOM 416 O SER A 59 -4.764 5.522 4.863 1.00 0.00 O ATOM 417 CB SER A 59 -3.558 2.263 4.689 1.00 0.00 C ATOM 418 OG SER A 59 -3.224 2.816 3.437 1.00 0.00 O ATOM 0 H SER A 59 -4.696 1.746 6.789 1.00 0.00 H new ATOM 0 HA SER A 59 -3.214 3.954 5.971 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.686 1.773 5.124 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.325 1.498 4.565 1.00 0.00 H new ATOM 0 HG SER A 59 -2.357 2.464 3.145 1.00 0.00 H new ATOM 424 N GLY A 60 -6.113 3.789 4.335 1.00 0.00 N ATOM 425 CA GLY A 60 -7.052 4.602 3.565 1.00 0.00 C ATOM 426 C GLY A 60 -7.671 5.721 4.405 1.00 0.00 C ATOM 427 O GLY A 60 -7.797 6.850 3.927 1.00 0.00 O ATOM 0 H GLY A 60 -6.369 2.804 4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.537 5.036 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.844 3.965 3.171 1.00 0.00 H new ATOM 431 N ALA A 61 -8.007 5.428 5.668 1.00 0.00 N ATOM 432 CA ALA A 61 -8.536 6.414 6.605 1.00 0.00 C ATOM 433 C ALA A 61 -7.519 7.528 6.912 1.00 0.00 C ATOM 434 O ALA A 61 -7.859 8.706 6.776 1.00 0.00 O ATOM 435 CB ALA A 61 -9.006 5.697 7.876 1.00 0.00 C ATOM 0 H ALA A 61 -7.917 4.493 6.066 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.389 6.913 6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.403 6.428 8.581 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.785 4.979 7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.165 5.174 8.331 1.00 0.00 H new ATOM 441 N ALA A 62 -6.279 7.171 7.289 1.00 0.00 N ATOM 442 CA ALA A 62 -5.187 8.111 7.545 1.00 0.00 C ATOM 443 C ALA A 62 -4.876 8.970 6.310 1.00 0.00 C ATOM 444 O ALA A 62 -4.688 10.177 6.436 1.00 0.00 O ATOM 445 CB ALA A 62 -3.935 7.374 8.032 1.00 0.00 C ATOM 0 H ALA A 62 -6.008 6.197 7.426 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.514 8.786 8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.137 8.094 8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.162 6.841 8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.613 6.662 7.272 1.00 0.00 H new ATOM 451 N ALA A 63 -4.874 8.383 5.108 1.00 0.00 N ATOM 452 CA ALA A 63 -4.731 9.138 3.868 1.00 0.00 C ATOM 453 C ALA A 63 -5.894 10.122 3.653 1.00 0.00 C ATOM 454 O ALA A 63 -5.648 11.306 3.435 1.00 0.00 O ATOM 455 CB ALA A 63 -4.541 8.172 2.698 1.00 0.00 C ATOM 0 H ALA A 63 -4.971 7.377 4.972 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.839 9.761 3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.434 8.738 1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.645 7.573 2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.408 7.515 2.624 1.00 0.00 H new ATOM 461 N LEU A 64 -7.149 9.672 3.759 1.00 0.00 N ATOM 462 CA LEU A 64 -8.324 10.539 3.631 1.00 0.00 C ATOM 463 C LEU A 64 -8.270 11.733 4.595 1.00 0.00 C ATOM 464 O LEU A 64 -8.432 12.871 4.146 1.00 0.00 O ATOM 465 CB LEU A 64 -9.591 9.678 3.778 1.00 0.00 C ATOM 466 CG LEU A 64 -10.915 10.472 3.868 1.00 0.00 C ATOM 467 CD1 LEU A 64 -12.039 9.695 3.174 1.00 0.00 C ATOM 468 CD2 LEU A 64 -11.325 10.736 5.324 1.00 0.00 C ATOM 0 H LEU A 64 -7.378 8.694 3.936 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.340 10.995 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.650 8.998 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.492 9.063 4.673 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.752 11.430 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.968 10.261 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.783 9.543 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.167 8.728 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.260 11.296 5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.460 9.786 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.546 11.313 5.822 1.00 0.00 H new ATOM 480 N THR A 65 -8.011 11.499 5.892 1.00 0.00 N ATOM 481 CA THR A 65 -7.885 12.594 6.870 1.00 0.00 C ATOM 482 C THR A 65 -6.731 13.535 6.510 1.00 0.00 C ATOM 483 O THR A 65 -6.937 14.748 6.536 1.00 0.00 O ATOM 484 CB THR A 65 -7.814 12.109 8.332 1.00 0.00 C ATOM 485 OG1 THR A 65 -7.790 13.188 9.240 1.00 0.00 O ATOM 486 CG2 THR A 65 -6.587 11.275 8.643 1.00 0.00 C ATOM 0 H THR A 65 -7.885 10.567 6.287 1.00 0.00 H new ATOM 0 HA THR A 65 -8.809 13.168 6.806 1.00 0.00 H new ATOM 0 HB THR A 65 -8.711 11.500 8.446 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.746 12.843 10.156 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.609 10.972 9.690 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.579 10.389 8.008 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.689 11.864 8.455 1.00 0.00 H new ATOM 494 N LEU A 66 -5.560 13.013 6.099 1.00 0.00 N ATOM 495 CA LEU A 66 -4.422 13.848 5.698 1.00 0.00 C ATOM 496 C LEU A 66 -4.753 14.706 4.468 1.00 0.00 C ATOM 497 O LEU A 66 -4.336 15.857 4.404 1.00 0.00 O ATOM 498 CB LEU A 66 -3.126 13.020 5.554 1.00 0.00 C ATOM 499 CG LEU A 66 -2.595 12.767 4.123 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.768 13.952 3.595 1.00 0.00 C ATOM 501 CD2 LEU A 66 -1.739 11.500 4.059 1.00 0.00 C ATOM 0 H LEU A 66 -5.381 12.011 6.037 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.225 14.556 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.341 13.522 6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.291 12.052 6.028 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.475 12.643 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.416 13.730 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.389 14.848 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.913 14.119 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.383 11.353 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.886 11.603 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.338 10.641 4.362 1.00 0.00 H new ATOM 513 N ILE A 67 -5.511 14.175 3.502 1.00 0.00 N ATOM 514 CA ILE A 67 -5.877 14.903 2.284 1.00 0.00 C ATOM 515 C ILE A 67 -6.849 16.030 2.637 1.00 0.00 C ATOM 516 O ILE A 67 -6.568 17.192 2.340 1.00 0.00 O ATOM 517 CB ILE A 67 -6.451 13.941 1.223 1.00 0.00 C ATOM 518 CG1 ILE A 67 -5.370 12.948 0.734 1.00 0.00 C ATOM 519 CG2 ILE A 67 -7.003 14.717 0.013 1.00 0.00 C ATOM 520 CD1 ILE A 67 -5.961 11.638 0.187 1.00 0.00 C ATOM 0 H ILE A 67 -5.888 13.228 3.544 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.987 15.353 1.844 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.263 13.388 1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.773 13.424 -0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.695 12.719 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.401 14.014 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.797 15.387 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.202 15.300 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.153 10.983 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.535 11.143 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.614 11.858 -0.657 1.00 0.00 H new ATOM 532 N VAL A 68 -7.972 15.705 3.294 1.00 0.00 N ATOM 533 CA VAL A 68 -8.980 16.716 3.643 1.00 0.00 C ATOM 534 C VAL A 68 -8.378 17.808 4.534 1.00 0.00 C ATOM 535 O VAL A 68 -8.606 18.989 4.264 1.00 0.00 O ATOM 536 CB VAL A 68 -10.270 16.112 4.246 1.00 0.00 C ATOM 537 CG1 VAL A 68 -10.851 14.982 3.374 1.00 0.00 C ATOM 538 CG2 VAL A 68 -10.098 15.604 5.680 1.00 0.00 C ATOM 0 H VAL A 68 -8.204 14.758 3.592 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.292 17.182 2.708 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.973 16.945 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.755 14.591 3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.092 15.373 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.117 14.182 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.043 15.195 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.334 14.826 5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.794 16.429 6.324 1.00 0.00 H new ATOM 548 N VAL A 69 -7.565 17.432 5.542 1.00 0.00 N ATOM 549 CA VAL A 69 -6.891 18.383 6.435 1.00 0.00 C ATOM 550 C VAL A 69 -5.851 19.212 5.679 1.00 0.00 C ATOM 551 O VAL A 69 -5.803 20.422 5.870 1.00 0.00 O ATOM 552 CB VAL A 69 -6.308 17.719 7.700 1.00 0.00 C ATOM 553 CG1 VAL A 69 -4.980 17.006 7.459 1.00 0.00 C ATOM 554 CG2 VAL A 69 -6.075 18.743 8.814 1.00 0.00 C ATOM 0 H VAL A 69 -7.360 16.456 5.756 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.657 19.069 6.797 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.058 16.983 7.991 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.630 16.563 8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.118 16.222 6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.242 17.723 7.099 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.664 18.241 9.690 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.374 19.503 8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.021 19.216 9.078 1.00 0.00 H new ATOM 564 N TRP A 70 -5.058 18.609 4.784 1.00 0.00 N ATOM 565 CA TRP A 70 -4.077 19.333 3.977 1.00 0.00 C ATOM 566 C TRP A 70 -4.742 20.407 3.116 1.00 0.00 C ATOM 567 O TRP A 70 -4.204 21.510 3.034 1.00 0.00 O ATOM 568 CB TRP A 70 -3.264 18.354 3.120 1.00 0.00 C ATOM 569 CG TRP A 70 -2.453 18.961 2.019 1.00 0.00 C ATOM 570 CD1 TRP A 70 -1.646 20.039 2.130 1.00 0.00 C ATOM 571 CD2 TRP A 70 -2.422 18.590 0.611 1.00 0.00 C ATOM 572 NE1 TRP A 70 -1.107 20.355 0.902 1.00 0.00 N ATOM 573 CE2 TRP A 70 -1.568 19.502 -0.078 1.00 0.00 C ATOM 574 CE3 TRP A 70 -3.060 17.592 -0.158 1.00 0.00 C ATOM 575 CZ2 TRP A 70 -1.358 19.429 -1.462 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -2.867 17.518 -1.548 1.00 0.00 C ATOM 577 CH2 TRP A 70 -2.017 18.431 -2.200 1.00 0.00 C ATOM 0 H TRP A 70 -5.081 17.606 4.602 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.393 19.845 4.654 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.592 17.800 3.776 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.951 17.630 2.681 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.452 20.575 3.047 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -0.452 21.120 0.739 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.705 16.876 0.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.699 20.129 -1.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -3.374 16.755 -2.120 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.871 18.365 -3.268 1.00 0.00 H new ATOM 588 N ILE A 71 -5.912 20.126 2.526 1.00 0.00 N ATOM 589 CA ILE A 71 -6.651 21.109 1.726 1.00 0.00 C ATOM 590 C ILE A 71 -7.186 22.244 2.607 1.00 0.00 C ATOM 591 O ILE A 71 -6.911 23.403 2.314 1.00 0.00 O ATOM 592 CB ILE A 71 -7.748 20.436 0.859 1.00 0.00 C ATOM 593 CG1 ILE A 71 -7.165 19.961 -0.493 1.00 0.00 C ATOM 594 CG2 ILE A 71 -8.910 21.398 0.535 1.00 0.00 C ATOM 595 CD1 ILE A 71 -6.261 18.731 -0.403 1.00 0.00 C ATOM 0 H ILE A 71 -6.369 19.217 2.590 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.957 21.566 1.021 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.118 19.596 1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.989 19.740 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.598 20.780 -0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.652 20.881 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.373 21.735 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.528 22.259 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.899 18.472 -1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.413 18.950 0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.826 17.894 0.007 1.00 0.00 H new ATOM 607 N THR A 72 -7.959 21.944 3.658 1.00 0.00 N ATOM 608 CA THR A 72 -8.566 22.981 4.516 1.00 0.00 C ATOM 609 C THR A 72 -7.526 23.766 5.330 1.00 0.00 C ATOM 610 O THR A 72 -7.544 24.998 5.343 1.00 0.00 O ATOM 611 CB THR A 72 -9.662 22.380 5.411 1.00 0.00 C ATOM 612 OG1 THR A 72 -10.286 23.408 6.142 1.00 0.00 O ATOM 613 CG2 THR A 72 -9.159 21.322 6.390 1.00 0.00 C ATOM 0 H THR A 72 -8.182 20.989 3.939 1.00 0.00 H new ATOM 0 HA THR A 72 -9.035 23.708 3.853 1.00 0.00 H new ATOM 0 HB THR A 72 -10.359 21.881 4.738 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.986 23.026 6.712 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.994 20.949 6.983 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.711 20.497 5.836 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.413 21.763 7.051 1.00 0.00 H new ATOM 621 N SER A 73 -6.577 23.063 5.961 1.00 0.00 N ATOM 622 CA SER A 73 -5.498 23.637 6.771 1.00 0.00 C ATOM 623 C SER A 73 -4.356 24.215 5.932 1.00 0.00 C ATOM 624 O SER A 73 -3.507 24.911 6.489 1.00 0.00 O ATOM 625 CB SER A 73 -4.920 22.559 7.696 1.00 0.00 C ATOM 626 OG SER A 73 -4.154 23.136 8.731 1.00 0.00 O ATOM 0 H SER A 73 -6.539 22.045 5.919 1.00 0.00 H new ATOM 0 HA SER A 73 -5.940 24.455 7.339 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.731 21.970 8.124 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.299 21.874 7.118 1.00 0.00 H new ATOM 0 HG SER A 73 -3.719 23.950 8.401 1.00 0.00 H new ATOM 632 N ARG A 74 -4.322 23.912 4.623 1.00 0.00 N ATOM 633 CA ARG A 74 -3.341 24.380 3.633 1.00 0.00 C ATOM 634 C ARG A 74 -1.910 24.164 4.130 1.00 0.00 C ATOM 635 O ARG A 74 -1.117 25.100 4.195 1.00 0.00 O ATOM 636 CB ARG A 74 -3.648 25.840 3.250 1.00 0.00 C ATOM 637 CG ARG A 74 -5.073 26.049 2.711 1.00 0.00 C ATOM 638 CD ARG A 74 -5.212 25.665 1.231 1.00 0.00 C ATOM 639 NE ARG A 74 -4.828 26.784 0.352 1.00 0.00 N ATOM 640 CZ ARG A 74 -5.573 27.856 0.096 1.00 0.00 C ATOM 641 NH1 ARG A 74 -6.771 28.007 0.620 1.00 0.00 N ATOM 642 NH2 ARG A 74 -5.119 28.800 -0.693 1.00 0.00 N ATOM 0 H ARG A 74 -5.020 23.298 4.205 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.424 23.787 2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.503 26.474 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.932 26.167 2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.771 25.456 3.302 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.355 27.094 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.585 24.799 1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.241 25.373 1.023 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.914 26.732 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.150 27.291 1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.320 28.840 0.406 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.193 28.713 -1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.692 29.621 -0.888 1.00 0.00 H new ATOM 656 N SER A 75 -1.593 22.914 4.502 1.00 0.00 N ATOM 657 CA SER A 75 -0.289 22.554 5.079 1.00 0.00 C ATOM 658 C SER A 75 0.846 23.059 4.187 1.00 0.00 C ATOM 659 O SER A 75 0.911 22.644 3.025 1.00 0.00 O ATOM 660 CB SER A 75 -0.146 21.035 5.326 1.00 0.00 C ATOM 661 OG SER A 75 0.597 20.370 4.315 1.00 0.00 O ATOM 0 H SER A 75 -2.233 22.125 4.411 1.00 0.00 H new ATOM 0 HA SER A 75 -0.227 23.041 6.052 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.339 20.874 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.139 20.589 5.391 1.00 0.00 H new ATOM 0 HG SER A 75 0.009 20.164 3.559 1.00 0.00 H new ATOM 667 N ARG A 76 1.751 23.874 4.746 1.00 0.00 N ATOM 668 CA ARG A 76 2.925 24.442 4.062 1.00 0.00 C ATOM 669 C ARG A 76 3.645 23.460 3.132 1.00 0.00 C ATOM 670 O ARG A 76 3.978 23.824 2.011 1.00 0.00 O ATOM 671 CB ARG A 76 3.881 25.070 5.095 1.00 0.00 C ATOM 672 CG ARG A 76 4.355 24.098 6.202 1.00 0.00 C ATOM 673 CD ARG A 76 4.339 24.742 7.595 1.00 0.00 C ATOM 674 NE ARG A 76 4.231 23.734 8.668 1.00 0.00 N ATOM 675 CZ ARG A 76 5.179 22.935 9.147 1.00 0.00 C ATOM 676 NH1 ARG A 76 6.408 22.959 8.687 1.00 0.00 N ATOM 677 NH2 ARG A 76 4.903 22.095 10.116 1.00 0.00 N ATOM 0 H ARG A 76 1.685 24.167 5.721 1.00 0.00 H new ATOM 0 HA ARG A 76 2.556 25.222 3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.755 25.460 4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.383 25.919 5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.714 23.216 6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.365 23.757 5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.249 25.325 7.735 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.502 25.436 7.664 1.00 0.00 H new ATOM 0 HE ARG A 76 3.311 23.638 9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.660 23.605 7.939 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.111 22.332 9.078 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.960 22.054 10.503 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.631 21.482 10.483 1.00 0.00 H new ATOM 691 N LYS A 77 3.876 22.232 3.612 1.00 0.00 N ATOM 692 CA LYS A 77 4.491 21.097 2.919 1.00 0.00 C ATOM 693 C LYS A 77 4.310 19.840 3.774 1.00 0.00 C ATOM 694 O LYS A 77 4.063 19.933 4.978 1.00 0.00 O ATOM 695 CB LYS A 77 5.984 21.390 2.639 1.00 0.00 C ATOM 696 CG LYS A 77 6.807 21.618 3.922 1.00 0.00 C ATOM 697 CD LYS A 77 8.080 22.458 3.723 1.00 0.00 C ATOM 698 CE LYS A 77 9.321 21.582 3.503 1.00 0.00 C ATOM 699 NZ LYS A 77 10.516 22.143 4.186 1.00 0.00 N ATOM 0 H LYS A 77 3.617 21.989 4.568 1.00 0.00 H new ATOM 0 HA LYS A 77 4.007 20.935 1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.413 20.557 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.062 22.272 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.175 22.109 4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.087 20.649 4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.947 23.119 2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.235 23.093 4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.127 20.576 3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.520 21.494 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.335 21.525 4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.715 23.093 3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.335 22.204 5.208 1.00 0.00 H new ATOM 713 N THR A 78 4.476 18.674 3.155 1.00 0.00 N ATOM 714 CA THR A 78 4.417 17.352 3.796 1.00 0.00 C ATOM 715 C THR A 78 5.711 16.573 3.520 1.00 0.00 C ATOM 716 O THR A 78 6.412 16.876 2.552 1.00 0.00 O ATOM 717 CB THR A 78 3.188 16.542 3.322 1.00 0.00 C ATOM 718 OG1 THR A 78 2.666 17.028 2.111 1.00 0.00 O ATOM 719 CG2 THR A 78 2.045 16.590 4.334 1.00 0.00 C ATOM 0 H THR A 78 4.663 18.616 2.154 1.00 0.00 H new ATOM 0 HA THR A 78 4.314 17.506 4.870 1.00 0.00 H new ATOM 0 HB THR A 78 3.556 15.523 3.201 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.741 16.721 2.007 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.203 16.008 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.382 16.173 5.283 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.734 17.624 4.482 1.00 0.00 H new ATOM 727 N PRO A 79 6.053 15.572 4.355 1.00 0.00 N ATOM 728 CA PRO A 79 7.246 14.759 4.159 1.00 0.00 C ATOM 729 C PRO A 79 7.100 13.865 2.922 1.00 0.00 C ATOM 730 O PRO A 79 6.024 13.332 2.639 1.00 0.00 O ATOM 731 CB PRO A 79 7.407 13.945 5.450 1.00 0.00 C ATOM 732 CG PRO A 79 5.991 13.851 6.011 1.00 0.00 C ATOM 733 CD PRO A 79 5.329 15.145 5.543 1.00 0.00 C ATOM 0 HA PRO A 79 8.132 15.367 3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.822 12.957 5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.081 14.438 6.150 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.467 12.974 5.631 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.995 13.774 7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.275 14.982 5.318 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.375 15.908 6.320 1.00 0.00 H new ATOM 741 N ILE A 80 8.219 13.637 2.225 1.00 0.00 N ATOM 742 CA ILE A 80 8.312 12.745 1.059 1.00 0.00 C ATOM 743 C ILE A 80 7.680 11.372 1.317 1.00 0.00 C ATOM 744 O ILE A 80 6.980 10.844 0.458 1.00 0.00 O ATOM 745 CB ILE A 80 9.780 12.594 0.587 1.00 0.00 C ATOM 746 CG1 ILE A 80 10.745 12.195 1.733 1.00 0.00 C ATOM 747 CG2 ILE A 80 10.246 13.880 -0.116 1.00 0.00 C ATOM 748 CD1 ILE A 80 12.197 11.988 1.294 1.00 0.00 C ATOM 0 H ILE A 80 9.108 14.078 2.460 1.00 0.00 H new ATOM 0 HA ILE A 80 7.738 13.215 0.261 1.00 0.00 H new ATOM 0 HB ILE A 80 9.807 11.771 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.717 12.968 2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.383 11.276 2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.279 13.762 -0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.611 14.072 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.179 14.718 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.802 11.711 2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.242 11.193 0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.582 12.912 0.862 1.00 0.00 H new ATOM 760 N PHE A 81 7.886 10.822 2.521 1.00 0.00 N ATOM 761 CA PHE A 81 7.370 9.524 2.935 1.00 0.00 C ATOM 762 C PHE A 81 5.835 9.483 2.907 1.00 0.00 C ATOM 763 O PHE A 81 5.270 8.511 2.411 1.00 0.00 O ATOM 764 CB PHE A 81 7.940 9.174 4.322 1.00 0.00 C ATOM 765 CG PHE A 81 8.271 7.704 4.495 1.00 0.00 C ATOM 766 CD1 PHE A 81 9.256 7.116 3.677 1.00 0.00 C ATOM 767 CD2 PHE A 81 7.628 6.929 5.478 1.00 0.00 C ATOM 768 CE1 PHE A 81 9.578 5.756 3.822 1.00 0.00 C ATOM 769 CE2 PHE A 81 7.956 5.568 5.628 1.00 0.00 C ATOM 770 CZ PHE A 81 8.925 4.981 4.795 1.00 0.00 C ATOM 0 H PHE A 81 8.431 11.285 3.248 1.00 0.00 H new ATOM 0 HA PHE A 81 7.697 8.766 2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.842 9.762 4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.219 9.467 5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.766 7.713 2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.883 7.378 6.118 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.327 5.307 3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.463 4.974 6.384 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.167 3.934 4.903 1.00 0.00 H new ATOM 780 N ILE A 82 5.170 10.555 3.370 1.00 0.00 N ATOM 781 CA ILE A 82 3.717 10.724 3.247 1.00 0.00 C ATOM 782 C ILE A 82 3.320 10.689 1.767 1.00 0.00 C ATOM 783 O ILE A 82 2.507 9.850 1.381 1.00 0.00 O ATOM 784 CB ILE A 82 3.222 12.000 3.994 1.00 0.00 C ATOM 785 CG1 ILE A 82 2.975 11.652 5.482 1.00 0.00 C ATOM 786 CG2 ILE A 82 1.961 12.607 3.349 1.00 0.00 C ATOM 787 CD1 ILE A 82 2.621 12.840 6.396 1.00 0.00 C ATOM 0 H ILE A 82 5.631 11.332 3.843 1.00 0.00 H new ATOM 0 HA ILE A 82 3.212 9.893 3.739 1.00 0.00 H new ATOM 0 HB ILE A 82 3.997 12.762 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.167 10.922 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.869 11.168 5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.657 13.493 3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.178 12.884 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.155 11.874 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.469 12.483 7.415 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.435 13.564 6.383 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.708 13.315 6.038 1.00 0.00 H new ATOM 799 N ILE A 83 3.893 11.573 0.939 1.00 0.00 N ATOM 800 CA ILE A 83 3.495 11.727 -0.471 1.00 0.00 C ATOM 801 C ILE A 83 3.684 10.431 -1.274 1.00 0.00 C ATOM 802 O ILE A 83 2.806 10.042 -2.054 1.00 0.00 O ATOM 803 CB ILE A 83 4.249 12.903 -1.131 1.00 0.00 C ATOM 804 CG1 ILE A 83 4.028 14.248 -0.404 1.00 0.00 C ATOM 805 CG2 ILE A 83 3.842 13.026 -2.613 1.00 0.00 C ATOM 806 CD1 ILE A 83 2.567 14.720 -0.380 1.00 0.00 C ATOM 0 H ILE A 83 4.644 12.201 1.225 1.00 0.00 H new ATOM 0 HA ILE A 83 2.429 11.953 -0.480 1.00 0.00 H new ATOM 0 HB ILE A 83 5.313 12.678 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.385 14.156 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.637 15.013 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.379 13.858 -3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.090 12.103 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.769 13.205 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.500 15.671 0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.209 14.847 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.953 13.977 0.130 1.00 0.00 H new ATOM 818 N ASN A 84 4.822 9.760 -1.068 1.00 0.00 N ATOM 819 CA ASN A 84 5.137 8.485 -1.702 1.00 0.00 C ATOM 820 C ASN A 84 4.086 7.424 -1.345 1.00 0.00 C ATOM 821 O ASN A 84 3.515 6.792 -2.239 1.00 0.00 O ATOM 822 CB ASN A 84 6.561 8.064 -1.291 1.00 0.00 C ATOM 823 CG ASN A 84 7.211 7.108 -2.282 1.00 0.00 C ATOM 824 OD1 ASN A 84 6.662 6.758 -3.314 1.00 0.00 O ATOM 825 ND2 ASN A 84 8.434 6.698 -2.018 1.00 0.00 N ATOM 0 H ASN A 84 5.558 10.096 -0.446 1.00 0.00 H new ATOM 0 HA ASN A 84 5.109 8.589 -2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.182 8.954 -1.193 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.525 7.591 -0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.921 6.089 -2.676 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.895 6.989 -1.156 1.00 0.00 H new ATOM 832 N GLN A 85 3.771 7.299 -0.045 1.00 0.00 N ATOM 833 CA GLN A 85 2.713 6.421 0.446 1.00 0.00 C ATOM 834 C GLN A 85 1.380 6.732 -0.222 1.00 0.00 C ATOM 835 O GLN A 85 0.750 5.801 -0.718 1.00 0.00 O ATOM 836 CB GLN A 85 2.587 6.496 1.979 1.00 0.00 C ATOM 837 CG GLN A 85 3.288 5.329 2.686 1.00 0.00 C ATOM 838 CD GLN A 85 4.794 5.254 2.428 1.00 0.00 C ATOM 839 OE1 GLN A 85 5.254 4.952 1.337 1.00 0.00 O ATOM 840 NE2 GLN A 85 5.605 5.481 3.440 1.00 0.00 N ATOM 0 H GLN A 85 4.251 7.811 0.695 1.00 0.00 H new ATOM 0 HA GLN A 85 2.991 5.400 0.183 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.012 7.436 2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.532 6.501 2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.118 5.414 3.759 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.828 4.395 2.364 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.224 5.733 4.352 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.614 5.405 3.312 1.00 0.00 H new ATOM 849 N VAL A 86 0.970 8.011 -0.272 1.00 0.00 N ATOM 850 CA VAL A 86 -0.275 8.423 -0.936 1.00 0.00 C ATOM 851 C VAL A 86 -0.303 7.880 -2.365 1.00 0.00 C ATOM 852 O VAL A 86 -1.234 7.164 -2.717 1.00 0.00 O ATOM 853 CB VAL A 86 -0.488 9.955 -0.940 1.00 0.00 C ATOM 854 CG1 VAL A 86 -1.886 10.314 -1.464 1.00 0.00 C ATOM 855 CG2 VAL A 86 -0.322 10.606 0.443 1.00 0.00 C ATOM 0 H VAL A 86 1.490 8.783 0.145 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.097 8.001 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 86 0.290 10.345 -1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.010 11.397 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.999 9.943 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.642 9.858 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.486 11.681 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.048 10.180 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.686 10.420 0.814 1.00 0.00 H new ATOM 865 N SER A 87 0.717 8.179 -3.177 1.00 0.00 N ATOM 866 CA SER A 87 0.769 7.740 -4.578 1.00 0.00 C ATOM 867 C SER A 87 0.635 6.221 -4.700 1.00 0.00 C ATOM 868 O SER A 87 -0.278 5.741 -5.374 1.00 0.00 O ATOM 869 CB SER A 87 2.049 8.228 -5.259 1.00 0.00 C ATOM 870 OG SER A 87 2.062 9.642 -5.280 1.00 0.00 O ATOM 0 H SER A 87 1.525 8.728 -2.885 1.00 0.00 H new ATOM 0 HA SER A 87 -0.083 8.188 -5.090 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.923 7.854 -4.726 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.104 7.838 -6.275 1.00 0.00 H new ATOM 0 HG SER A 87 2.254 9.981 -4.381 1.00 0.00 H new ATOM 876 N LEU A 88 1.506 5.468 -4.013 1.00 0.00 N ATOM 877 CA LEU A 88 1.463 4.006 -3.987 1.00 0.00 C ATOM 878 C LEU A 88 0.072 3.505 -3.587 1.00 0.00 C ATOM 879 O LEU A 88 -0.573 2.823 -4.385 1.00 0.00 O ATOM 880 CB LEU A 88 2.578 3.460 -3.066 1.00 0.00 C ATOM 881 CG LEU A 88 3.884 3.054 -3.782 1.00 0.00 C ATOM 882 CD1 LEU A 88 3.718 1.766 -4.600 1.00 0.00 C ATOM 883 CD2 LEU A 88 4.439 4.156 -4.686 1.00 0.00 C ATOM 0 H LEU A 88 2.264 5.863 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 88 1.651 3.624 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.813 4.218 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.192 2.593 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 88 4.602 2.879 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.662 1.519 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.426 0.950 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.948 1.913 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.357 3.809 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.705 4.402 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.651 5.043 -4.090 1.00 0.00 H new ATOM 895 N PHE A 89 -0.413 3.865 -2.392 1.00 0.00 N ATOM 896 CA PHE A 89 -1.727 3.450 -1.903 1.00 0.00 C ATOM 897 C PHE A 89 -2.852 3.768 -2.889 1.00 0.00 C ATOM 898 O PHE A 89 -3.666 2.886 -3.134 1.00 0.00 O ATOM 899 CB PHE A 89 -2.024 4.058 -0.524 1.00 0.00 C ATOM 900 CG PHE A 89 -1.350 3.357 0.645 1.00 0.00 C ATOM 901 CD1 PHE A 89 -1.560 1.979 0.859 1.00 0.00 C ATOM 902 CD2 PHE A 89 -0.567 4.088 1.557 1.00 0.00 C ATOM 903 CE1 PHE A 89 -0.974 1.335 1.963 1.00 0.00 C ATOM 904 CE2 PHE A 89 0.018 3.448 2.662 1.00 0.00 C ATOM 905 CZ PHE A 89 -0.184 2.074 2.864 1.00 0.00 C ATOM 0 H PHE A 89 0.100 4.455 -1.737 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.690 2.365 -1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.714 5.103 -0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.102 4.046 -0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.174 1.416 0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.415 5.147 1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.129 0.278 2.119 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.623 4.013 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.268 1.582 3.713 1.00 0.00 H new ATOM 915 N LEU A 90 -2.889 4.970 -3.480 1.00 0.00 N ATOM 916 CA LEU A 90 -3.885 5.386 -4.479 1.00 0.00 C ATOM 917 C LEU A 90 -3.935 4.427 -5.676 1.00 0.00 C ATOM 918 O LEU A 90 -5.000 3.887 -5.983 1.00 0.00 O ATOM 919 CB LEU A 90 -3.576 6.819 -4.958 1.00 0.00 C ATOM 920 CG LEU A 90 -4.301 7.970 -4.228 1.00 0.00 C ATOM 921 CD1 LEU A 90 -4.436 7.806 -2.706 1.00 0.00 C ATOM 922 CD2 LEU A 90 -3.604 9.288 -4.599 1.00 0.00 C ATOM 0 H LEU A 90 -2.208 5.701 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.865 5.361 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.502 6.983 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.820 6.882 -6.018 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.336 7.963 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.959 8.668 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.000 6.899 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.445 7.734 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.100 10.117 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.560 9.247 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.657 9.437 -5.678 1.00 0.00 H new ATOM 934 N ILE A 91 -2.800 4.227 -6.364 1.00 0.00 N ATOM 935 CA ILE A 91 -2.739 3.337 -7.532 1.00 0.00 C ATOM 936 C ILE A 91 -3.064 1.894 -7.135 1.00 0.00 C ATOM 937 O ILE A 91 -3.878 1.248 -7.798 1.00 0.00 O ATOM 938 CB ILE A 91 -1.365 3.425 -8.234 1.00 0.00 C ATOM 939 CG1 ILE A 91 -1.121 4.833 -8.839 1.00 0.00 C ATOM 940 CG2 ILE A 91 -1.266 2.371 -9.356 1.00 0.00 C ATOM 941 CD1 ILE A 91 0.171 5.514 -8.364 1.00 0.00 C ATOM 0 H ILE A 91 -1.912 4.671 -6.131 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.494 3.669 -8.245 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.603 3.234 -7.478 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.094 4.748 -9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.967 5.473 -8.590 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.293 2.446 -9.841 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.384 1.374 -8.930 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.052 2.547 -10.091 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.261 6.492 -8.836 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.142 5.635 -7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.028 4.899 -8.637 1.00 0.00 H new ATOM 953 N ILE A 92 -2.448 1.394 -6.054 1.00 0.00 N ATOM 954 CA ILE A 92 -2.671 0.037 -5.543 1.00 0.00 C ATOM 955 C ILE A 92 -4.158 -0.182 -5.232 1.00 0.00 C ATOM 956 O ILE A 92 -4.719 -1.199 -5.643 1.00 0.00 O ATOM 957 CB ILE A 92 -1.780 -0.230 -4.311 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.278 -0.219 -4.676 1.00 0.00 C ATOM 959 CG2 ILE A 92 -2.121 -1.586 -3.666 1.00 0.00 C ATOM 960 CD1 ILE A 92 0.619 -0.010 -3.446 1.00 0.00 C ATOM 0 H ILE A 92 -1.774 1.928 -5.505 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.388 -0.682 -6.312 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.979 0.575 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.016 -1.161 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.088 0.573 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.479 -1.749 -2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.164 -1.586 -3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.962 -2.384 -4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.665 -0.010 -3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.378 0.945 -2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.451 -0.816 -2.732 1.00 0.00 H new ATOM 972 N LEU A 93 -4.803 0.792 -4.572 1.00 0.00 N ATOM 973 CA LEU A 93 -6.243 0.814 -4.339 1.00 0.00 C ATOM 974 C LEU A 93 -7.008 0.717 -5.654 1.00 0.00 C ATOM 975 O LEU A 93 -7.809 -0.198 -5.794 1.00 0.00 O ATOM 976 CB LEU A 93 -6.661 2.071 -3.550 1.00 0.00 C ATOM 977 CG LEU A 93 -6.659 1.859 -2.025 1.00 0.00 C ATOM 978 CD1 LEU A 93 -6.638 3.209 -1.301 1.00 0.00 C ATOM 979 CD2 LEU A 93 -7.916 1.081 -1.608 1.00 0.00 C ATOM 0 H LEU A 93 -4.321 1.601 -4.179 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.496 -0.057 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.984 2.889 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.659 2.376 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.768 1.293 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.637 3.044 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.741 3.760 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.521 3.785 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.911 0.933 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.804 1.645 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.926 0.112 -2.107 1.00 0.00 H new ATOM 991 N HIS A 94 -6.762 1.615 -6.616 1.00 0.00 N ATOM 992 CA HIS A 94 -7.478 1.608 -7.895 1.00 0.00 C ATOM 993 C HIS A 94 -7.336 0.257 -8.616 1.00 0.00 C ATOM 994 O HIS A 94 -8.336 -0.318 -9.049 1.00 0.00 O ATOM 995 CB HIS A 94 -6.998 2.777 -8.772 1.00 0.00 C ATOM 996 CG HIS A 94 -8.032 3.310 -9.740 1.00 0.00 C ATOM 997 ND1 HIS A 94 -8.108 4.619 -10.167 1.00 0.00 N ATOM 998 CD2 HIS A 94 -9.084 2.635 -10.306 1.00 0.00 C ATOM 999 CE1 HIS A 94 -9.187 4.729 -10.963 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -9.800 3.544 -11.085 1.00 0.00 N ATOM 0 H HIS A 94 -6.069 2.358 -6.531 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.541 1.743 -7.697 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.675 3.591 -8.123 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.124 2.454 -9.337 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.316 1.589 -10.172 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.513 5.643 -11.437 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.631 3.345 -11.641 1.00 0.00 H new ATOM 1008 N SER A 95 -6.108 -0.271 -8.701 1.00 0.00 N ATOM 1009 CA SER A 95 -5.804 -1.561 -9.323 1.00 0.00 C ATOM 1010 C SER A 95 -6.549 -2.715 -8.632 1.00 0.00 C ATOM 1011 O SER A 95 -7.310 -3.436 -9.281 1.00 0.00 O ATOM 1012 CB SER A 95 -4.285 -1.784 -9.317 1.00 0.00 C ATOM 1013 OG SER A 95 -3.924 -2.726 -10.304 1.00 0.00 O ATOM 0 H SER A 95 -5.282 0.199 -8.330 1.00 0.00 H new ATOM 0 HA SER A 95 -6.153 -1.544 -10.355 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.771 -0.840 -9.500 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.966 -2.135 -8.336 1.00 0.00 H new ATOM 0 HG SER A 95 -2.953 -2.858 -10.291 1.00 0.00 H new ATOM 1019 N ALA A 96 -6.378 -2.863 -7.309 1.00 0.00 N ATOM 1020 CA ALA A 96 -7.016 -3.914 -6.516 1.00 0.00 C ATOM 1021 C ALA A 96 -8.554 -3.815 -6.528 1.00 0.00 C ATOM 1022 O ALA A 96 -9.242 -4.834 -6.632 1.00 0.00 O ATOM 1023 CB ALA A 96 -6.470 -3.850 -5.085 1.00 0.00 C ATOM 0 H ALA A 96 -5.784 -2.245 -6.757 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.776 -4.878 -6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.937 -4.629 -4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.391 -4.002 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.693 -2.874 -4.654 1.00 0.00 H new ATOM 1029 N LEU A 97 -9.093 -2.589 -6.458 1.00 0.00 N ATOM 1030 CA LEU A 97 -10.520 -2.303 -6.581 1.00 0.00 C ATOM 1031 C LEU A 97 -11.061 -2.774 -7.929 1.00 0.00 C ATOM 1032 O LEU A 97 -11.991 -3.578 -7.964 1.00 0.00 O ATOM 1033 CB LEU A 97 -10.802 -0.800 -6.397 1.00 0.00 C ATOM 1034 CG LEU A 97 -10.852 -0.335 -4.930 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -10.957 1.194 -4.905 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -12.042 -0.965 -4.187 1.00 0.00 C ATOM 0 H LEU A 97 -8.530 -1.751 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 97 -11.032 -2.852 -5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.032 -0.232 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.753 -0.561 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.943 -0.656 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.993 1.539 -3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.089 1.627 -5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.864 1.505 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.051 -0.618 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -12.972 -0.673 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -11.948 -2.051 -4.204 1.00 0.00 H new ATOM 1048 N TYR A 98 -10.492 -2.280 -9.035 1.00 0.00 N ATOM 1049 CA TYR A 98 -10.944 -2.660 -10.369 1.00 0.00 C ATOM 1050 C TYR A 98 -10.818 -4.172 -10.587 1.00 0.00 C ATOM 1051 O TYR A 98 -11.742 -4.796 -11.100 1.00 0.00 O ATOM 1052 CB TYR A 98 -10.188 -1.862 -11.439 1.00 0.00 C ATOM 1053 CG TYR A 98 -11.022 -1.590 -12.674 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -11.974 -0.551 -12.644 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -10.855 -2.357 -13.843 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -12.758 -0.276 -13.779 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -11.630 -2.080 -14.985 1.00 0.00 C ATOM 1058 CZ TYR A 98 -12.587 -1.040 -14.953 1.00 0.00 C ATOM 1059 OH TYR A 98 -13.345 -0.774 -16.051 1.00 0.00 O ATOM 0 H TYR A 98 -9.718 -1.616 -9.027 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.002 -2.414 -10.458 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.860 -0.914 -11.013 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.291 -2.410 -11.727 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.102 0.036 -11.746 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.132 -3.159 -13.863 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.489 0.518 -13.752 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.494 -2.661 -15.885 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.102 -1.390 -16.773 1.00 0.00 H new ATOM 1069 N PHE A 99 -9.729 -4.789 -10.111 1.00 0.00 N ATOM 1070 CA PHE A 99 -9.553 -6.239 -10.149 1.00 0.00 C ATOM 1071 C PHE A 99 -10.721 -6.985 -9.490 1.00 0.00 C ATOM 1072 O PHE A 99 -11.376 -7.803 -10.146 1.00 0.00 O ATOM 1073 CB PHE A 99 -8.215 -6.624 -9.502 1.00 0.00 C ATOM 1074 CG PHE A 99 -8.019 -8.122 -9.359 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -8.207 -8.968 -10.470 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -7.697 -8.678 -8.107 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -8.074 -10.360 -10.331 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -7.550 -10.070 -7.970 1.00 0.00 C ATOM 1079 CZ PHE A 99 -7.739 -10.910 -9.081 1.00 0.00 C ATOM 0 H PHE A 99 -8.945 -4.292 -9.688 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.541 -6.544 -11.195 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.401 -6.215 -10.100 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -8.151 -6.162 -8.517 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.454 -8.545 -11.432 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.563 -8.035 -7.250 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.229 -11.006 -11.182 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.292 -10.494 -7.011 1.00 0.00 H new ATOM 0 HZ PHE A 99 -7.627 -11.979 -8.974 1.00 0.00 H new ATOM 1089 N LYS A 100 -11.013 -6.690 -8.212 1.00 0.00 N ATOM 1090 CA LYS A 100 -12.134 -7.324 -7.506 1.00 0.00 C ATOM 1091 C LYS A 100 -13.474 -7.054 -8.201 1.00 0.00 C ATOM 1092 O LYS A 100 -14.324 -7.936 -8.215 1.00 0.00 O ATOM 1093 CB LYS A 100 -12.115 -6.957 -6.009 1.00 0.00 C ATOM 1094 CG LYS A 100 -13.049 -5.806 -5.587 1.00 0.00 C ATOM 1095 CD LYS A 100 -12.595 -5.139 -4.280 1.00 0.00 C ATOM 1096 CE LYS A 100 -13.767 -4.854 -3.335 1.00 0.00 C ATOM 1097 NZ LYS A 100 -14.573 -3.686 -3.754 1.00 0.00 N ATOM 0 H LYS A 100 -10.489 -6.019 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 100 -12.008 -8.406 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -12.380 -7.844 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.095 -6.691 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -13.084 -5.060 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -14.062 -6.189 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.874 -5.784 -3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.082 -4.205 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.409 -5.733 -3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.383 -4.682 -2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.351 -3.541 -3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.971 -2.838 -3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.965 -3.857 -4.702 1.00 0.00 H new ATOM 1111 N TYR A 101 -13.637 -5.875 -8.810 1.00 0.00 N ATOM 1112 CA TYR A 101 -14.842 -5.463 -9.528 1.00 0.00 C ATOM 1113 C TYR A 101 -15.045 -6.195 -10.864 1.00 0.00 C ATOM 1114 O TYR A 101 -16.180 -6.397 -11.292 1.00 0.00 O ATOM 1115 CB TYR A 101 -14.780 -3.947 -9.754 1.00 0.00 C ATOM 1116 CG TYR A 101 -16.087 -3.358 -10.240 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -17.204 -3.359 -9.383 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -16.195 -2.843 -11.546 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -18.443 -2.875 -9.839 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -17.430 -2.345 -12.003 1.00 0.00 C ATOM 1121 CZ TYR A 101 -18.560 -2.377 -11.157 1.00 0.00 C ATOM 1122 OH TYR A 101 -19.770 -1.967 -11.624 1.00 0.00 O ATOM 0 H TYR A 101 -12.909 -5.160 -8.815 1.00 0.00 H new ATOM 0 HA TYR A 101 -15.700 -5.733 -8.912 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -14.495 -3.459 -8.822 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.998 -3.727 -10.481 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -17.109 -3.732 -8.374 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -15.332 -2.830 -12.196 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -19.302 -2.884 -9.185 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -17.513 -1.939 -13.000 1.00 0.00 H new ATOM 0 HH TYR A 101 -19.675 -1.652 -12.547 1.00 0.00 H new ATOM 1132 N LEU A 102 -13.959 -6.618 -11.516 1.00 0.00 N ATOM 1133 CA LEU A 102 -14.024 -7.483 -12.690 1.00 0.00 C ATOM 1134 C LEU A 102 -14.300 -8.938 -12.289 1.00 0.00 C ATOM 1135 O LEU A 102 -15.158 -9.582 -12.896 1.00 0.00 O ATOM 1136 CB LEU A 102 -12.732 -7.337 -13.514 1.00 0.00 C ATOM 1137 CG LEU A 102 -12.542 -5.951 -14.171 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -11.237 -5.948 -14.978 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -13.719 -5.558 -15.070 1.00 0.00 C ATOM 0 H LEU A 102 -13.009 -6.368 -11.242 1.00 0.00 H new ATOM 0 HA LEU A 102 -14.859 -7.174 -13.319 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.879 -7.538 -12.866 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -12.726 -8.098 -14.294 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.495 -5.210 -13.373 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.099 -4.972 -15.443 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.398 -6.155 -14.314 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.286 -6.715 -15.751 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.532 -4.576 -15.505 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.829 -6.293 -15.867 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -14.634 -5.525 -14.478 1.00 0.00 H new ATOM 1151 N LEU A 103 -13.612 -9.458 -11.261 1.00 0.00 N ATOM 1152 CA LEU A 103 -13.816 -10.840 -10.815 1.00 0.00 C ATOM 1153 C LEU A 103 -15.208 -11.049 -10.182 1.00 0.00 C ATOM 1154 O LEU A 103 -15.812 -12.095 -10.411 1.00 0.00 O ATOM 1155 CB LEU A 103 -12.618 -11.310 -9.949 1.00 0.00 C ATOM 1156 CG LEU A 103 -12.829 -11.277 -8.420 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -13.506 -12.563 -7.916 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -11.510 -11.081 -7.662 1.00 0.00 C ATOM 0 H LEU A 103 -12.913 -8.943 -10.726 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.828 -11.499 -11.683 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.365 -12.330 -10.238 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.756 -10.688 -10.190 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.479 -10.425 -8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.639 -12.505 -6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.478 -12.674 -8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -12.881 -13.422 -8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.706 -11.064 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.832 -11.902 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.054 -10.138 -7.963 1.00 0.00 H new ATOM 1170 N SER A 104 -15.736 -10.062 -9.439 1.00 0.00 N ATOM 1171 CA SER A 104 -17.010 -10.143 -8.707 1.00 0.00 C ATOM 1172 C SER A 104 -18.193 -10.518 -9.599 1.00 0.00 C ATOM 1173 O SER A 104 -19.065 -11.276 -9.175 1.00 0.00 O ATOM 1174 CB SER A 104 -17.332 -8.808 -8.017 1.00 0.00 C ATOM 1175 OG SER A 104 -17.405 -7.772 -8.976 1.00 0.00 O ATOM 0 H SER A 104 -15.274 -9.159 -9.328 1.00 0.00 H new ATOM 0 HA SER A 104 -16.873 -10.934 -7.970 1.00 0.00 H new ATOM 0 HB2 SER A 104 -18.278 -8.885 -7.481 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.565 -8.577 -7.278 1.00 0.00 H new ATOM 0 HG SER A 104 -17.612 -6.925 -8.528 1.00 0.00 H new ATOM 1181 N ASN A 105 -18.226 -9.978 -10.824 1.00 0.00 N ATOM 1182 CA ASN A 105 -19.252 -10.278 -11.815 1.00 0.00 C ATOM 1183 C ASN A 105 -19.069 -11.698 -12.376 1.00 0.00 C ATOM 1184 O ASN A 105 -20.031 -12.462 -12.428 1.00 0.00 O ATOM 1185 CB ASN A 105 -19.217 -9.205 -12.920 1.00 0.00 C ATOM 1186 CG ASN A 105 -20.580 -8.966 -13.565 1.00 0.00 C ATOM 1187 OD1 ASN A 105 -21.464 -9.810 -13.595 1.00 0.00 O ATOM 1188 ND2 ASN A 105 -20.794 -7.778 -14.091 1.00 0.00 N ATOM 0 H ASN A 105 -17.528 -9.311 -11.153 1.00 0.00 H new ATOM 0 HA ASN A 105 -20.236 -10.253 -11.347 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -18.852 -8.269 -12.498 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.506 -9.507 -13.689 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.694 -7.565 -14.521 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -20.060 -7.070 -14.068 1.00 0.00 H new ATOM 1195 N TYR A 106 -17.829 -12.062 -12.746 1.00 0.00 N ATOM 1196 CA TYR A 106 -17.484 -13.396 -13.247 1.00 0.00 C ATOM 1197 C TYR A 106 -17.872 -14.512 -12.271 1.00 0.00 C ATOM 1198 O TYR A 106 -18.527 -15.471 -12.676 1.00 0.00 O ATOM 1199 CB TYR A 106 -15.982 -13.490 -13.570 1.00 0.00 C ATOM 1200 CG TYR A 106 -15.564 -12.940 -14.920 1.00 0.00 C ATOM 1201 CD1 TYR A 106 -16.183 -13.419 -16.092 1.00 0.00 C ATOM 1202 CD2 TYR A 106 -14.520 -11.999 -15.013 1.00 0.00 C ATOM 1203 CE1 TYR A 106 -15.784 -12.940 -17.352 1.00 0.00 C ATOM 1204 CE2 TYR A 106 -14.104 -11.529 -16.272 1.00 0.00 C ATOM 1205 CZ TYR A 106 -14.742 -11.991 -17.442 1.00 0.00 C ATOM 1206 OH TYR A 106 -14.349 -11.532 -18.659 1.00 0.00 O ATOM 0 H TYR A 106 -17.031 -11.428 -12.704 1.00 0.00 H new ATOM 0 HA TYR A 106 -18.063 -13.539 -14.160 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -15.429 -12.960 -12.795 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -15.682 -14.537 -13.516 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -16.968 -14.158 -16.022 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -14.038 -11.638 -14.116 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -16.272 -13.296 -18.247 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -13.297 -10.815 -16.343 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.623 -10.884 -18.545 1.00 0.00 H new ATOM 1216 N SER A 107 -17.455 -14.412 -11.004 1.00 0.00 N ATOM 1217 CA SER A 107 -17.825 -15.379 -9.970 1.00 0.00 C ATOM 1218 C SER A 107 -17.831 -14.726 -8.584 1.00 0.00 C ATOM 1219 O SER A 107 -17.032 -13.833 -8.304 1.00 0.00 O ATOM 1220 CB SER A 107 -16.855 -16.566 -10.010 1.00 0.00 C ATOM 1221 OG SER A 107 -17.383 -17.649 -9.270 1.00 0.00 O ATOM 0 H SER A 107 -16.853 -13.660 -10.669 1.00 0.00 H new ATOM 0 HA SER A 107 -18.835 -15.738 -10.167 1.00 0.00 H new ATOM 0 HB2 SER A 107 -16.683 -16.870 -11.042 1.00 0.00 H new ATOM 0 HB3 SER A 107 -15.889 -16.271 -9.599 1.00 0.00 H new ATOM 0 HG SER A 107 -16.758 -18.403 -9.302 1.00 0.00 H new ATOM 1227 N SER A 108 -18.728 -15.183 -7.704 1.00 0.00 N ATOM 1228 CA SER A 108 -18.923 -14.606 -6.373 1.00 0.00 C ATOM 1229 C SER A 108 -19.044 -15.698 -5.312 1.00 0.00 C ATOM 1230 O SER A 108 -20.071 -16.367 -5.218 1.00 0.00 O ATOM 1231 CB SER A 108 -20.154 -13.697 -6.373 1.00 0.00 C ATOM 1232 OG SER A 108 -20.068 -12.784 -5.300 1.00 0.00 O ATOM 0 H SER A 108 -19.344 -15.972 -7.899 1.00 0.00 H new ATOM 0 HA SER A 108 -18.048 -14.006 -6.123 1.00 0.00 H new ATOM 0 HB2 SER A 108 -20.221 -13.158 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 108 -21.061 -14.295 -6.283 1.00 0.00 H new ATOM 0 HG SER A 108 -20.856 -12.201 -5.302 1.00 0.00 H new ATOM 1238 N VAL A 109 -17.973 -15.901 -4.539 1.00 0.00 N ATOM 1239 CA VAL A 109 -17.870 -16.919 -3.487 1.00 0.00 C ATOM 1240 C VAL A 109 -16.697 -16.587 -2.550 1.00 0.00 C ATOM 1241 O VAL A 109 -15.572 -16.405 -3.013 1.00 0.00 O ATOM 1242 CB VAL A 109 -17.757 -18.334 -4.108 1.00 0.00 C ATOM 1243 CG1 VAL A 109 -16.649 -18.500 -5.170 1.00 0.00 C ATOM 1244 CG2 VAL A 109 -17.630 -19.412 -3.024 1.00 0.00 C ATOM 0 H VAL A 109 -17.124 -15.343 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 109 -18.778 -16.915 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 109 -18.694 -18.467 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.653 -19.524 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -16.831 -17.813 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.680 -18.280 -4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -17.553 -20.393 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -16.738 -19.224 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -18.509 -19.386 -2.380 1.00 0.00 H new ATOM 1254 N THR A 110 -16.966 -16.477 -1.242 1.00 0.00 N ATOM 1255 CA THR A 110 -15.965 -16.308 -0.168 1.00 0.00 C ATOM 1256 C THR A 110 -15.864 -17.572 0.705 1.00 0.00 C ATOM 1257 O THR A 110 -16.882 -18.293 0.798 1.00 0.00 O ATOM 1258 CB THR A 110 -16.290 -15.068 0.682 1.00 0.00 C ATOM 1259 OG1 THR A 110 -16.333 -13.930 -0.150 1.00 0.00 O ATOM 1260 CG2 THR A 110 -15.219 -14.788 1.740 1.00 0.00 C ATOM 0 H THR A 110 -17.921 -16.504 -0.885 1.00 0.00 H new ATOM 0 HA THR A 110 -14.991 -16.155 -0.633 1.00 0.00 H new ATOM 0 HB THR A 110 -17.244 -15.267 1.171 1.00 0.00 H new ATOM 0 HG1 THR A 110 -16.542 -13.138 0.389 1.00 0.00 H new ATOM 0 HG21 THR A 110 -15.496 -13.903 2.313 1.00 0.00 H new ATOM 0 HG22 THR A 110 -15.138 -15.643 2.411 1.00 0.00 H new ATOM 0 HG23 THR A 110 -14.260 -14.618 1.251 1.00 0.00 H new TER 1268 THR A 110