USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=22 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 Single : A 32 ASN : amide:sc=-0.00591 X(o=-0.0059,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -49:sc= 1.12 USER MOD Single : A 37 THR OG1 : rot 69:sc= 0.173 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 47 SER OG : rot 38:sc= 0.324 USER MOD Single : A 48 THR OG1 : rot -170:sc= -0.0533 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 90:sc= 0.0109 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 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.081) USER MOD Single : A 78 THR OG1 : rot -91:sc= 0.288 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 85 GLN : amide:sc= -0.0874 X(o=-0.087,f=-0.54) USER MOD Single : A 87 SER OG : rot 180:sc= 0 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 66:sc= 1.2 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) 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 9.768 -31.829 3.480 1.00 0.00 N ATOM 2 CA GLY A 31 8.303 -31.829 3.693 1.00 0.00 C ATOM 3 C GLY A 31 7.721 -30.429 3.538 1.00 0.00 C ATOM 4 O GLY A 31 8.484 -29.473 3.392 1.00 0.00 O ATOM 0 HA2 GLY A 31 7.830 -32.503 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.078 -32.210 4.689 1.00 0.00 H new ATOM 8 N ASN A 32 6.385 -30.312 3.549 1.00 0.00 N ATOM 9 CA ASN A 32 5.670 -29.032 3.603 1.00 0.00 C ATOM 10 C ASN A 32 4.230 -29.227 4.123 1.00 0.00 C ATOM 11 O ASN A 32 3.414 -29.872 3.459 1.00 0.00 O ATOM 12 CB ASN A 32 5.676 -28.364 2.211 1.00 0.00 C ATOM 13 CG ASN A 32 5.405 -26.871 2.301 1.00 0.00 C ATOM 14 OD1 ASN A 32 4.378 -26.374 1.865 1.00 0.00 O ATOM 15 ND2 ASN A 32 6.325 -26.122 2.881 1.00 0.00 N ATOM 0 H ASN A 32 5.762 -31.119 3.520 1.00 0.00 H new ATOM 0 HA ASN A 32 6.184 -28.373 4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.641 -28.530 1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.922 -28.833 1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.182 -25.116 2.969 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.178 -26.550 3.241 1.00 0.00 H new ATOM 22 N GLY A 33 3.933 -28.694 5.316 1.00 0.00 N ATOM 23 CA GLY A 33 2.623 -28.795 5.959 1.00 0.00 C ATOM 24 C GLY A 33 2.519 -27.942 7.228 1.00 0.00 C ATOM 25 O GLY A 33 3.498 -27.342 7.675 1.00 0.00 O ATOM 0 H GLY A 33 4.612 -28.171 5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.852 -28.485 5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.425 -29.837 6.210 1.00 0.00 H new ATOM 29 N SER A 34 1.322 -27.913 7.820 1.00 0.00 N ATOM 30 CA SER A 34 0.938 -27.071 8.957 1.00 0.00 C ATOM 31 C SER A 34 0.698 -27.913 10.218 1.00 0.00 C ATOM 32 O SER A 34 -0.425 -28.080 10.687 1.00 0.00 O ATOM 33 CB SER A 34 -0.278 -26.212 8.573 1.00 0.00 C ATOM 34 OG SER A 34 -1.265 -26.980 7.901 1.00 0.00 O ATOM 0 H SER A 34 0.555 -28.506 7.503 1.00 0.00 H new ATOM 0 HA SER A 34 1.758 -26.396 9.201 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.709 -25.768 9.470 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.043 -25.390 7.933 1.00 0.00 H new ATOM 0 HG SER A 34 -2.026 -26.406 7.672 1.00 0.00 H new ATOM 40 N THR A 35 1.788 -28.434 10.792 1.00 0.00 N ATOM 41 CA THR A 35 1.778 -29.317 11.975 1.00 0.00 C ATOM 42 C THR A 35 2.740 -28.850 13.078 1.00 0.00 C ATOM 43 O THR A 35 3.268 -29.665 13.840 1.00 0.00 O ATOM 44 CB THR A 35 2.021 -30.781 11.559 1.00 0.00 C ATOM 45 OG1 THR A 35 1.920 -31.597 12.701 1.00 0.00 O ATOM 46 CG2 THR A 35 3.392 -31.014 10.905 1.00 0.00 C ATOM 0 H THR A 35 2.728 -28.252 10.441 1.00 0.00 H new ATOM 0 HA THR A 35 0.784 -29.257 12.419 1.00 0.00 H new ATOM 0 HB THR A 35 1.267 -31.030 10.812 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.462 -31.217 13.424 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.494 -32.066 10.638 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.475 -30.402 10.007 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.181 -30.739 11.606 1.00 0.00 H new ATOM 54 N ILE A 36 3.001 -27.543 13.146 1.00 0.00 N ATOM 55 CA ILE A 36 3.907 -26.965 14.139 1.00 0.00 C ATOM 56 C ILE A 36 3.255 -26.980 15.533 1.00 0.00 C ATOM 57 O ILE A 36 2.032 -27.029 15.673 1.00 0.00 O ATOM 58 CB ILE A 36 4.359 -25.549 13.708 1.00 0.00 C ATOM 59 CG1 ILE A 36 4.749 -25.444 12.213 1.00 0.00 C ATOM 60 CG2 ILE A 36 5.549 -25.079 14.562 1.00 0.00 C ATOM 61 CD1 ILE A 36 5.801 -26.460 11.736 1.00 0.00 C ATOM 0 H ILE A 36 2.590 -26.856 12.514 1.00 0.00 H new ATOM 0 HA ILE A 36 4.807 -27.577 14.201 1.00 0.00 H new ATOM 0 HB ILE A 36 3.491 -24.908 13.864 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.849 -25.567 11.610 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.126 -24.439 12.022 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.853 -24.082 14.245 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.256 -25.052 15.611 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.383 -25.770 14.436 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.004 -26.303 10.677 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.721 -26.326 12.306 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.425 -27.472 11.887 1.00 0.00 H new ATOM 73 N THR A 37 4.088 -26.939 16.573 1.00 0.00 N ATOM 74 CA THR A 37 3.714 -26.838 17.983 1.00 0.00 C ATOM 75 C THR A 37 2.856 -25.599 18.271 1.00 0.00 C ATOM 76 O THR A 37 2.912 -24.589 17.565 1.00 0.00 O ATOM 77 CB THR A 37 4.990 -26.826 18.863 1.00 0.00 C ATOM 78 OG1 THR A 37 6.173 -26.802 18.082 1.00 0.00 O ATOM 79 CG2 THR A 37 5.071 -28.081 19.729 1.00 0.00 C ATOM 0 H THR A 37 5.099 -26.978 16.446 1.00 0.00 H new ATOM 0 HA THR A 37 3.107 -27.710 18.227 1.00 0.00 H new ATOM 0 HB THR A 37 4.919 -25.926 19.474 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.250 -25.935 17.631 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.976 -28.046 20.336 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.199 -28.130 20.380 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.097 -28.963 19.089 1.00 0.00 H new ATOM 87 N PHE A 38 2.094 -25.658 19.371 1.00 0.00 N ATOM 88 CA PHE A 38 1.234 -24.557 19.818 1.00 0.00 C ATOM 89 C PHE A 38 2.019 -23.296 20.213 1.00 0.00 C ATOM 90 O PHE A 38 1.426 -22.223 20.263 1.00 0.00 O ATOM 91 CB PHE A 38 0.344 -25.016 20.983 1.00 0.00 C ATOM 92 CG PHE A 38 -0.834 -25.876 20.565 1.00 0.00 C ATOM 93 CD1 PHE A 38 -0.667 -27.256 20.338 1.00 0.00 C ATOM 94 CD2 PHE A 38 -2.107 -25.292 20.402 1.00 0.00 C ATOM 95 CE1 PHE A 38 -1.763 -28.045 19.947 1.00 0.00 C ATOM 96 CE2 PHE A 38 -3.204 -26.085 20.020 1.00 0.00 C ATOM 97 CZ PHE A 38 -3.032 -27.460 19.791 1.00 0.00 C ATOM 0 H PHE A 38 2.057 -26.476 19.979 1.00 0.00 H new ATOM 0 HA PHE A 38 0.613 -24.282 18.965 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.954 -25.575 21.693 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.030 -24.137 21.508 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.305 -27.709 20.465 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.240 -24.234 20.571 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.630 -29.101 19.766 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.179 -25.636 19.903 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.874 -28.068 19.495 1.00 0.00 H new ATOM 107 N ASP A 39 3.333 -23.407 20.447 1.00 0.00 N ATOM 108 CA ASP A 39 4.239 -22.305 20.787 1.00 0.00 C ATOM 109 C ASP A 39 4.126 -21.168 19.747 1.00 0.00 C ATOM 110 O ASP A 39 3.756 -20.036 20.078 1.00 0.00 O ATOM 111 CB ASP A 39 5.697 -22.831 20.899 1.00 0.00 C ATOM 112 CG ASP A 39 5.952 -23.966 21.919 1.00 0.00 C ATOM 113 OD1 ASP A 39 5.092 -24.159 22.808 1.00 0.00 O ATOM 114 OD2 ASP A 39 7.014 -24.640 21.816 1.00 0.00 O ATOM 0 H ASP A 39 3.813 -24.306 20.402 1.00 0.00 H new ATOM 0 HA ASP A 39 3.952 -21.894 21.755 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.008 -23.182 19.915 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.342 -21.991 21.157 1.00 0.00 H new ATOM 119 N GLU A 40 4.372 -21.491 18.471 1.00 0.00 N ATOM 120 CA GLU A 40 4.321 -20.542 17.355 1.00 0.00 C ATOM 121 C GLU A 40 2.903 -19.970 17.161 1.00 0.00 C ATOM 122 O GLU A 40 2.748 -18.797 16.829 1.00 0.00 O ATOM 123 CB GLU A 40 4.813 -21.212 16.056 1.00 0.00 C ATOM 124 CG GLU A 40 6.117 -22.025 16.162 1.00 0.00 C ATOM 125 CD GLU A 40 7.313 -21.267 16.754 1.00 0.00 C ATOM 126 OE1 GLU A 40 7.476 -21.326 17.993 1.00 0.00 O ATOM 127 OE2 GLU A 40 8.081 -20.677 15.960 1.00 0.00 O ATOM 0 H GLU A 40 4.617 -22.438 18.181 1.00 0.00 H new ATOM 0 HA GLU A 40 4.983 -19.711 17.597 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.026 -21.873 15.692 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.953 -20.437 15.302 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.928 -22.907 16.773 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.388 -22.379 15.167 1.00 0.00 H new ATOM 134 N LEU A 41 1.866 -20.779 17.418 1.00 0.00 N ATOM 135 CA LEU A 41 0.455 -20.379 17.389 1.00 0.00 C ATOM 136 C LEU A 41 0.139 -19.338 18.466 1.00 0.00 C ATOM 137 O LEU A 41 -0.351 -18.253 18.158 1.00 0.00 O ATOM 138 CB LEU A 41 -0.445 -21.619 17.556 1.00 0.00 C ATOM 139 CG LEU A 41 -0.994 -22.204 16.246 1.00 0.00 C ATOM 140 CD1 LEU A 41 0.106 -22.550 15.237 1.00 0.00 C ATOM 141 CD2 LEU A 41 -1.797 -23.471 16.566 1.00 0.00 C ATOM 0 H LEU A 41 1.992 -21.762 17.660 1.00 0.00 H new ATOM 0 HA LEU A 41 0.256 -19.917 16.422 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.122 -22.394 18.073 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.285 -21.356 18.199 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.622 -21.440 15.787 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.345 -22.959 14.333 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.667 -21.649 14.987 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.780 -23.288 15.672 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.192 -23.895 15.642 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.148 -24.200 17.052 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.623 -23.220 17.232 1.00 0.00 H new ATOM 153 N GLN A 42 0.424 -19.657 19.731 1.00 0.00 N ATOM 154 CA GLN A 42 0.226 -18.738 20.849 1.00 0.00 C ATOM 155 C GLN A 42 0.969 -17.421 20.580 1.00 0.00 C ATOM 156 O GLN A 42 0.381 -16.357 20.748 1.00 0.00 O ATOM 157 CB GLN A 42 0.685 -19.399 22.159 1.00 0.00 C ATOM 158 CG GLN A 42 -0.158 -20.625 22.562 1.00 0.00 C ATOM 159 CD GLN A 42 -1.366 -20.278 23.429 1.00 0.00 C ATOM 160 OE1 GLN A 42 -2.137 -19.375 23.145 1.00 0.00 O ATOM 161 NE2 GLN A 42 -1.585 -21.008 24.508 1.00 0.00 N ATOM 0 H GLN A 42 0.800 -20.564 20.007 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.834 -18.505 20.951 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.727 -19.703 22.057 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.645 -18.662 22.961 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.502 -21.131 21.660 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.475 -21.330 23.101 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.945 -21.764 24.751 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.394 -20.816 25.098 1.00 0.00 H new ATOM 170 N GLY A 43 2.212 -17.480 20.078 1.00 0.00 N ATOM 171 CA GLY A 43 2.998 -16.302 19.696 1.00 0.00 C ATOM 172 C GLY A 43 2.402 -15.487 18.537 1.00 0.00 C ATOM 173 O GLY A 43 2.342 -14.253 18.617 1.00 0.00 O ATOM 0 H GLY A 43 2.704 -18.360 19.925 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.101 -15.652 20.565 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.001 -16.625 19.418 1.00 0.00 H new ATOM 177 N LEU A 44 1.926 -16.143 17.466 1.00 0.00 N ATOM 178 CA LEU A 44 1.289 -15.436 16.349 1.00 0.00 C ATOM 179 C LEU A 44 0.056 -14.641 16.822 1.00 0.00 C ATOM 180 O LEU A 44 -0.167 -13.508 16.386 1.00 0.00 O ATOM 181 CB LEU A 44 1.027 -16.370 15.140 1.00 0.00 C ATOM 182 CG LEU A 44 -0.364 -17.035 15.050 1.00 0.00 C ATOM 183 CD1 LEU A 44 -1.402 -16.134 14.374 1.00 0.00 C ATOM 184 CD2 LEU A 44 -0.349 -18.364 14.294 1.00 0.00 C ATOM 0 H LEU A 44 1.971 -17.156 17.353 1.00 0.00 H new ATOM 0 HA LEU A 44 1.990 -14.691 15.972 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.186 -15.795 14.228 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.779 -17.159 15.154 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.640 -17.212 16.090 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.362 -16.649 14.336 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.508 -15.210 14.943 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.076 -15.900 13.361 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.357 -18.779 14.267 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.003 -18.199 13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.317 -19.063 14.800 1.00 0.00 H new ATOM 196 N VAL A 45 -0.736 -15.220 17.734 1.00 0.00 N ATOM 197 CA VAL A 45 -1.944 -14.576 18.270 1.00 0.00 C ATOM 198 C VAL A 45 -1.623 -13.576 19.390 1.00 0.00 C ATOM 199 O VAL A 45 -2.340 -12.587 19.521 1.00 0.00 O ATOM 200 CB VAL A 45 -2.995 -15.623 18.699 1.00 0.00 C ATOM 201 CG1 VAL A 45 -4.282 -14.943 19.193 1.00 0.00 C ATOM 202 CG2 VAL A 45 -3.365 -16.544 17.523 1.00 0.00 C ATOM 0 H VAL A 45 -0.558 -16.147 18.121 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.384 -13.992 17.462 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.551 -16.207 19.505 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.005 -15.703 19.489 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.053 -14.308 20.049 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.702 -14.335 18.392 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.107 -17.272 17.851 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.777 -15.947 16.709 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.473 -17.066 17.175 1.00 0.00 H new ATOM 212 N ASN A 46 -0.527 -13.777 20.138 1.00 0.00 N ATOM 213 CA ASN A 46 -0.049 -12.885 21.197 1.00 0.00 C ATOM 214 C ASN A 46 0.098 -11.440 20.689 1.00 0.00 C ATOM 215 O ASN A 46 -0.561 -10.547 21.216 1.00 0.00 O ATOM 216 CB ASN A 46 1.259 -13.454 21.789 1.00 0.00 C ATOM 217 CG ASN A 46 1.802 -12.651 22.961 1.00 0.00 C ATOM 218 OD1 ASN A 46 2.559 -11.709 22.795 1.00 0.00 O ATOM 219 ND2 ASN A 46 1.466 -13.032 24.178 1.00 0.00 N ATOM 0 H ASN A 46 0.069 -14.595 20.015 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.786 -12.839 21.998 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.084 -14.480 22.113 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.015 -13.492 21.005 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.840 -12.538 24.988 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.832 -13.821 24.309 1.00 0.00 H new ATOM 226 N SER A 47 0.927 -11.225 19.656 1.00 0.00 N ATOM 227 CA SER A 47 1.215 -9.892 19.095 1.00 0.00 C ATOM 228 C SER A 47 1.774 -9.947 17.658 1.00 0.00 C ATOM 229 O SER A 47 2.704 -9.214 17.325 1.00 0.00 O ATOM 230 CB SER A 47 2.162 -9.115 20.041 1.00 0.00 C ATOM 231 OG SER A 47 1.455 -8.354 21.001 1.00 0.00 O ATOM 0 H SER A 47 1.423 -11.979 19.180 1.00 0.00 H new ATOM 0 HA SER A 47 0.267 -9.359 19.022 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.820 -9.819 20.551 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.798 -8.453 19.452 1.00 0.00 H new ATOM 0 HG SER A 47 0.672 -8.858 21.306 1.00 0.00 H new ATOM 237 N THR A 48 1.200 -10.783 16.779 1.00 0.00 N ATOM 238 CA THR A 48 1.664 -10.889 15.380 1.00 0.00 C ATOM 239 C THR A 48 0.510 -10.656 14.403 1.00 0.00 C ATOM 240 O THR A 48 0.477 -9.633 13.720 1.00 0.00 O ATOM 241 CB THR A 48 2.406 -12.217 15.122 1.00 0.00 C ATOM 242 OG1 THR A 48 3.258 -12.554 16.200 1.00 0.00 O ATOM 243 CG2 THR A 48 3.274 -12.173 13.867 1.00 0.00 C ATOM 0 H THR A 48 0.416 -11.395 17.007 1.00 0.00 H new ATOM 0 HA THR A 48 2.394 -10.098 15.205 1.00 0.00 H new ATOM 0 HB THR A 48 1.618 -12.961 15.000 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.828 -13.309 15.943 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.772 -13.134 13.735 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.648 -11.967 12.999 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.023 -11.387 13.970 1.00 0.00 H new ATOM 251 N VAL A 49 -0.482 -11.558 14.369 1.00 0.00 N ATOM 252 CA VAL A 49 -1.652 -11.428 13.483 1.00 0.00 C ATOM 253 C VAL A 49 -2.557 -10.268 13.911 1.00 0.00 C ATOM 254 O VAL A 49 -2.989 -9.481 13.072 1.00 0.00 O ATOM 255 CB VAL A 49 -2.425 -12.762 13.385 1.00 0.00 C ATOM 256 CG1 VAL A 49 -3.336 -13.057 14.588 1.00 0.00 C ATOM 257 CG2 VAL A 49 -3.241 -12.840 12.086 1.00 0.00 C ATOM 0 H VAL A 49 -0.498 -12.395 14.952 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.289 -11.190 12.483 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.653 -13.531 13.385 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.840 -14.011 14.437 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.735 -13.104 15.496 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.079 -12.265 14.684 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.773 -13.790 12.047 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.959 -12.021 12.058 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.570 -12.764 11.230 1.00 0.00 H new ATOM 267 N THR A 50 -2.810 -10.135 15.222 1.00 0.00 N ATOM 268 CA THR A 50 -3.704 -9.118 15.793 1.00 0.00 C ATOM 269 C THR A 50 -3.185 -7.707 15.506 1.00 0.00 C ATOM 270 O THR A 50 -3.953 -6.806 15.162 1.00 0.00 O ATOM 271 CB THR A 50 -3.934 -9.384 17.293 1.00 0.00 C ATOM 272 OG1 THR A 50 -5.096 -8.715 17.719 1.00 0.00 O ATOM 273 CG2 THR A 50 -2.774 -8.983 18.208 1.00 0.00 C ATOM 0 H THR A 50 -2.391 -10.742 15.927 1.00 0.00 H new ATOM 0 HA THR A 50 -4.678 -9.188 15.308 1.00 0.00 H new ATOM 0 HB THR A 50 -4.030 -10.466 17.380 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.241 -8.887 18.673 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.032 -9.209 19.243 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.880 -9.539 17.927 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.584 -7.915 18.107 1.00 0.00 H new ATOM 281 N GLN A 51 -1.854 -7.546 15.561 1.00 0.00 N ATOM 282 CA GLN A 51 -1.170 -6.293 15.286 1.00 0.00 C ATOM 283 C GLN A 51 -1.281 -5.898 13.809 1.00 0.00 C ATOM 284 O GLN A 51 -1.414 -4.715 13.519 1.00 0.00 O ATOM 285 CB GLN A 51 0.291 -6.392 15.752 1.00 0.00 C ATOM 286 CG GLN A 51 0.891 -5.005 16.024 1.00 0.00 C ATOM 287 CD GLN A 51 2.282 -5.123 16.639 1.00 0.00 C ATOM 288 OE1 GLN A 51 2.439 -5.272 17.841 1.00 0.00 O ATOM 289 NE2 GLN A 51 3.325 -5.078 15.833 1.00 0.00 N ATOM 0 H GLN A 51 -1.218 -8.306 15.804 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.656 -5.496 15.848 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.345 -6.997 16.657 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.882 -6.903 14.992 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.947 -4.440 15.093 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.238 -4.448 16.696 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.189 -4.953 14.830 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.267 -5.168 16.213 1.00 0.00 H new ATOM 298 N ALA A 52 -1.293 -6.863 12.877 1.00 0.00 N ATOM 299 CA ALA A 52 -1.438 -6.593 11.446 1.00 0.00 C ATOM 300 C ALA A 52 -2.786 -5.933 11.105 1.00 0.00 C ATOM 301 O ALA A 52 -2.824 -4.980 10.324 1.00 0.00 O ATOM 302 CB ALA A 52 -1.251 -7.901 10.669 1.00 0.00 C ATOM 0 H ALA A 52 -1.202 -7.854 13.099 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.669 -5.878 11.153 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.358 -7.708 9.601 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.258 -8.303 10.868 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.005 -8.623 10.985 1.00 0.00 H new ATOM 308 N ILE A 53 -3.884 -6.421 11.709 1.00 0.00 N ATOM 309 CA ILE A 53 -5.230 -5.865 11.514 1.00 0.00 C ATOM 310 C ILE A 53 -5.264 -4.412 11.994 1.00 0.00 C ATOM 311 O ILE A 53 -5.433 -3.506 11.176 1.00 0.00 O ATOM 312 CB ILE A 53 -6.309 -6.736 12.202 1.00 0.00 C ATOM 313 CG1 ILE A 53 -6.342 -8.166 11.604 1.00 0.00 C ATOM 314 CG2 ILE A 53 -7.704 -6.091 12.079 1.00 0.00 C ATOM 315 CD1 ILE A 53 -6.269 -9.237 12.694 1.00 0.00 C ATOM 0 H ILE A 53 -3.860 -7.215 12.348 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.465 -5.875 10.450 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.043 -6.804 13.257 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.256 -8.297 11.025 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.507 -8.291 10.914 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.442 -6.724 12.571 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.694 -5.110 12.553 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.963 -5.983 11.026 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.295 -10.225 12.235 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.342 -9.122 13.256 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.118 -9.128 13.369 1.00 0.00 H new ATOM 327 N LEU A 54 -5.075 -4.187 13.305 1.00 0.00 N ATOM 328 CA LEU A 54 -5.127 -2.850 13.910 1.00 0.00 C ATOM 329 C LEU A 54 -4.166 -1.864 13.231 1.00 0.00 C ATOM 330 O LEU A 54 -4.515 -0.694 13.077 1.00 0.00 O ATOM 331 CB LEU A 54 -4.918 -2.936 15.437 1.00 0.00 C ATOM 332 CG LEU A 54 -3.480 -3.274 15.879 1.00 0.00 C ATOM 333 CD1 LEU A 54 -2.544 -2.051 15.941 1.00 0.00 C ATOM 334 CD2 LEU A 54 -3.474 -3.973 17.240 1.00 0.00 C ATOM 0 H LEU A 54 -4.881 -4.931 13.975 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.125 -2.444 13.741 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.205 -1.983 15.882 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.593 -3.692 15.839 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.094 -3.941 15.108 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.551 -2.369 16.259 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.479 -1.592 14.954 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.939 -1.326 16.653 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.448 -4.200 17.528 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.924 -3.319 17.987 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.046 -4.899 17.176 1.00 0.00 H new ATOM 346 N PHE A 55 -2.986 -2.336 12.797 1.00 0.00 N ATOM 347 CA PHE A 55 -2.018 -1.554 12.037 1.00 0.00 C ATOM 348 C PHE A 55 -2.655 -0.997 10.764 1.00 0.00 C ATOM 349 O PHE A 55 -2.715 0.221 10.596 1.00 0.00 O ATOM 350 CB PHE A 55 -0.786 -2.417 11.729 1.00 0.00 C ATOM 351 CG PHE A 55 0.211 -1.771 10.797 1.00 0.00 C ATOM 352 CD1 PHE A 55 0.871 -0.596 11.196 1.00 0.00 C ATOM 353 CD2 PHE A 55 0.469 -2.332 9.531 1.00 0.00 C ATOM 354 CE1 PHE A 55 1.785 0.024 10.329 1.00 0.00 C ATOM 355 CE2 PHE A 55 1.390 -1.713 8.667 1.00 0.00 C ATOM 356 CZ PHE A 55 2.045 -0.534 9.065 1.00 0.00 C ATOM 0 H PHE A 55 -2.679 -3.293 12.972 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.694 -0.700 12.633 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.285 -2.660 12.666 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.117 -3.359 11.291 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.675 -0.170 12.169 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.039 -3.235 9.225 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.288 0.930 10.633 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.594 -2.143 7.698 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.749 -0.057 8.399 1.00 0.00 H new ATOM 366 N GLY A 56 -3.186 -1.872 9.901 1.00 0.00 N ATOM 367 CA GLY A 56 -3.869 -1.447 8.681 1.00 0.00 C ATOM 368 C GLY A 56 -5.078 -0.544 8.949 1.00 0.00 C ATOM 369 O GLY A 56 -5.294 0.390 8.176 1.00 0.00 O ATOM 0 H GLY A 56 -3.153 -2.883 10.030 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.162 -0.917 8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.197 -2.328 8.130 1.00 0.00 H new ATOM 373 N VAL A 57 -5.823 -0.775 10.044 1.00 0.00 N ATOM 374 CA VAL A 57 -6.963 0.067 10.457 1.00 0.00 C ATOM 375 C VAL A 57 -6.531 1.523 10.644 1.00 0.00 C ATOM 376 O VAL A 57 -6.967 2.395 9.889 1.00 0.00 O ATOM 377 CB VAL A 57 -7.684 -0.471 11.719 1.00 0.00 C ATOM 378 CG1 VAL A 57 -8.824 0.468 12.147 1.00 0.00 C ATOM 379 CG2 VAL A 57 -8.237 -1.888 11.495 1.00 0.00 C ATOM 0 H VAL A 57 -5.650 -1.558 10.674 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.690 0.025 9.646 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.941 -0.513 12.515 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.312 0.066 13.035 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.418 1.454 12.371 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.551 0.550 11.339 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.736 -2.232 12.401 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.951 -1.874 10.671 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.417 -2.564 11.253 1.00 0.00 H new ATOM 389 N ARG A 58 -5.667 1.791 11.637 1.00 0.00 N ATOM 390 CA ARG A 58 -5.191 3.153 11.919 1.00 0.00 C ATOM 391 C ARG A 58 -4.444 3.754 10.731 1.00 0.00 C ATOM 392 O ARG A 58 -4.701 4.906 10.401 1.00 0.00 O ATOM 393 CB ARG A 58 -4.366 3.202 13.215 1.00 0.00 C ATOM 394 CG ARG A 58 -3.075 2.372 13.143 1.00 0.00 C ATOM 395 CD ARG A 58 -2.448 2.163 14.518 1.00 0.00 C ATOM 396 NE ARG A 58 -1.680 3.343 14.952 1.00 0.00 N ATOM 397 CZ ARG A 58 -0.943 3.428 16.049 1.00 0.00 C ATOM 398 NH1 ARG A 58 -0.916 2.447 16.923 1.00 0.00 N ATOM 399 NH2 ARG A 58 -0.218 4.496 16.286 1.00 0.00 N ATOM 0 H ARG A 58 -5.284 1.079 12.259 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.069 3.779 12.078 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.112 4.238 13.437 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.978 2.840 14.041 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.292 1.403 12.693 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.359 2.872 12.491 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.231 1.950 15.246 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.793 1.292 14.491 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.719 4.168 14.354 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.468 1.605 16.761 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.343 2.528 17.763 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.219 5.271 15.622 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.346 4.552 17.134 1.00 0.00 H new ATOM 413 N SER A 59 -3.566 2.988 10.068 1.00 0.00 N ATOM 414 CA SER A 59 -2.798 3.458 8.911 1.00 0.00 C ATOM 415 C SER A 59 -3.707 3.891 7.758 1.00 0.00 C ATOM 416 O SER A 59 -3.552 5.004 7.256 1.00 0.00 O ATOM 417 CB SER A 59 -1.816 2.378 8.445 1.00 0.00 C ATOM 418 OG SER A 59 -0.729 2.292 9.342 1.00 0.00 O ATOM 0 H SER A 59 -3.369 2.020 10.322 1.00 0.00 H new ATOM 0 HA SER A 59 -2.235 4.336 9.228 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.324 1.416 8.383 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.454 2.612 7.444 1.00 0.00 H new ATOM 0 HG SER A 59 -0.935 1.639 10.044 1.00 0.00 H new ATOM 424 N GLY A 60 -4.666 3.048 7.353 1.00 0.00 N ATOM 425 CA GLY A 60 -5.608 3.362 6.281 1.00 0.00 C ATOM 426 C GLY A 60 -6.499 4.563 6.611 1.00 0.00 C ATOM 427 O GLY A 60 -6.625 5.479 5.795 1.00 0.00 O ATOM 0 H GLY A 60 -4.807 2.125 7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.054 3.566 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.235 2.492 6.087 1.00 0.00 H new ATOM 431 N ALA A 61 -7.086 4.590 7.817 1.00 0.00 N ATOM 432 CA ALA A 61 -7.883 5.726 8.283 1.00 0.00 C ATOM 433 C ALA A 61 -7.066 7.027 8.336 1.00 0.00 C ATOM 434 O ALA A 61 -7.507 8.040 7.791 1.00 0.00 O ATOM 435 CB ALA A 61 -8.506 5.395 9.644 1.00 0.00 C ATOM 0 H ALA A 61 -7.020 3.827 8.491 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.682 5.900 7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.099 6.242 9.989 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.147 4.519 9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.715 5.188 10.365 1.00 0.00 H new ATOM 441 N ALA A 62 -5.875 6.996 8.953 1.00 0.00 N ATOM 442 CA ALA A 62 -4.955 8.131 9.010 1.00 0.00 C ATOM 443 C ALA A 62 -4.572 8.629 7.610 1.00 0.00 C ATOM 444 O ALA A 62 -4.545 9.838 7.386 1.00 0.00 O ATOM 445 CB ALA A 62 -3.714 7.763 9.827 1.00 0.00 C ATOM 0 H ALA A 62 -5.523 6.167 9.432 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.468 8.954 9.507 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.036 8.616 9.863 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.012 7.494 10.840 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.209 6.917 9.361 1.00 0.00 H new ATOM 451 N ALA A 63 -4.325 7.720 6.658 1.00 0.00 N ATOM 452 CA ALA A 63 -4.106 8.093 5.265 1.00 0.00 C ATOM 453 C ALA A 63 -5.320 8.838 4.690 1.00 0.00 C ATOM 454 O ALA A 63 -5.164 9.959 4.211 1.00 0.00 O ATOM 455 CB ALA A 63 -3.711 6.862 4.443 1.00 0.00 C ATOM 0 H ALA A 63 -4.273 6.717 6.834 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.273 8.794 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.550 7.154 3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.793 6.435 4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.508 6.120 4.492 1.00 0.00 H new ATOM 461 N LEU A 64 -6.530 8.263 4.774 1.00 0.00 N ATOM 462 CA LEU A 64 -7.768 8.879 4.272 1.00 0.00 C ATOM 463 C LEU A 64 -7.974 10.310 4.787 1.00 0.00 C ATOM 464 O LEU A 64 -8.183 11.217 3.978 1.00 0.00 O ATOM 465 CB LEU A 64 -8.957 7.953 4.570 1.00 0.00 C ATOM 466 CG LEU A 64 -10.340 8.589 4.283 1.00 0.00 C ATOM 467 CD1 LEU A 64 -11.250 7.602 3.551 1.00 0.00 C ATOM 468 CD2 LEU A 64 -11.025 9.044 5.579 1.00 0.00 C ATOM 0 H LEU A 64 -6.678 7.347 5.197 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.685 8.990 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.855 7.046 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.917 7.653 5.617 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.170 9.461 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.216 8.070 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.791 7.317 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.393 6.714 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.993 9.486 5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.168 8.186 6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.401 9.784 6.080 1.00 0.00 H new ATOM 480 N THR A 65 -7.914 10.522 6.108 1.00 0.00 N ATOM 481 CA THR A 65 -8.070 11.869 6.682 1.00 0.00 C ATOM 482 C THR A 65 -6.991 12.832 6.167 1.00 0.00 C ATOM 483 O THR A 65 -7.322 13.954 5.787 1.00 0.00 O ATOM 484 CB THR A 65 -8.158 11.847 8.217 1.00 0.00 C ATOM 485 OG1 THR A 65 -8.334 13.147 8.734 1.00 0.00 O ATOM 486 CG2 THR A 65 -6.929 11.261 8.898 1.00 0.00 C ATOM 0 H THR A 65 -7.760 9.786 6.797 1.00 0.00 H new ATOM 0 HA THR A 65 -9.029 12.254 6.334 1.00 0.00 H new ATOM 0 HB THR A 65 -9.015 11.208 8.431 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.389 13.106 9.712 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.068 11.281 9.979 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.787 10.232 8.569 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.051 11.851 8.634 1.00 0.00 H new ATOM 494 N LEU A 66 -5.726 12.397 6.061 1.00 0.00 N ATOM 495 CA LEU A 66 -4.661 13.236 5.503 1.00 0.00 C ATOM 496 C LEU A 66 -4.950 13.590 4.030 1.00 0.00 C ATOM 497 O LEU A 66 -4.786 14.745 3.640 1.00 0.00 O ATOM 498 CB LEU A 66 -3.274 12.593 5.775 1.00 0.00 C ATOM 499 CG LEU A 66 -2.536 11.993 4.560 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.820 13.098 3.779 1.00 0.00 C ATOM 501 CD2 LEU A 66 -1.521 10.910 4.947 1.00 0.00 C ATOM 0 H LEU A 66 -5.419 11.470 6.355 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.635 14.200 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.631 13.350 6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.404 11.805 6.517 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.298 11.520 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.303 12.663 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.550 13.827 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.097 13.592 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.036 10.528 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.770 11.336 5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.035 10.095 5.456 1.00 0.00 H new ATOM 513 N ILE A 67 -5.411 12.627 3.220 1.00 0.00 N ATOM 514 CA ILE A 67 -5.691 12.822 1.793 1.00 0.00 C ATOM 515 C ILE A 67 -6.681 13.973 1.624 1.00 0.00 C ATOM 516 O ILE A 67 -6.363 14.964 0.966 1.00 0.00 O ATOM 517 CB ILE A 67 -6.189 11.510 1.146 1.00 0.00 C ATOM 518 CG1 ILE A 67 -5.042 10.481 1.046 1.00 0.00 C ATOM 519 CG2 ILE A 67 -6.771 11.759 -0.261 1.00 0.00 C ATOM 520 CD1 ILE A 67 -5.564 9.040 1.078 1.00 0.00 C ATOM 0 H ILE A 67 -5.602 11.679 3.543 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.773 13.091 1.271 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.978 11.115 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.486 10.645 0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.345 10.633 1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.111 10.815 -0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.612 12.449 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.002 12.189 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.725 8.348 1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.098 8.867 2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.241 8.879 0.239 1.00 0.00 H new ATOM 532 N VAL A 68 -7.859 13.872 2.252 1.00 0.00 N ATOM 533 CA VAL A 68 -8.873 14.931 2.171 1.00 0.00 C ATOM 534 C VAL A 68 -8.327 16.264 2.685 1.00 0.00 C ATOM 535 O VAL A 68 -8.497 17.271 2.001 1.00 0.00 O ATOM 536 CB VAL A 68 -10.206 14.559 2.846 1.00 0.00 C ATOM 537 CG1 VAL A 68 -10.876 13.399 2.096 1.00 0.00 C ATOM 538 CG2 VAL A 68 -10.067 14.197 4.326 1.00 0.00 C ATOM 0 H VAL A 68 -8.133 13.070 2.820 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.105 15.047 1.112 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.826 15.454 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.817 13.146 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.070 13.696 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.217 12.531 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.047 13.947 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.401 13.340 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.654 15.046 4.871 1.00 0.00 H new ATOM 548 N VAL A 69 -7.598 16.284 3.814 1.00 0.00 N ATOM 549 CA VAL A 69 -6.969 17.504 4.350 1.00 0.00 C ATOM 550 C VAL A 69 -6.086 18.174 3.291 1.00 0.00 C ATOM 551 O VAL A 69 -6.170 19.389 3.114 1.00 0.00 O ATOM 552 CB VAL A 69 -6.179 17.204 5.644 1.00 0.00 C ATOM 553 CG1 VAL A 69 -5.338 18.400 6.117 1.00 0.00 C ATOM 554 CG2 VAL A 69 -7.106 16.815 6.806 1.00 0.00 C ATOM 0 H VAL A 69 -7.428 15.454 4.382 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.761 18.206 4.611 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.524 16.373 5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.805 18.132 7.029 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.620 18.669 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.992 19.249 6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.509 16.613 7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.796 17.633 7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.671 15.922 6.538 1.00 0.00 H new ATOM 564 N TRP A 70 -5.281 17.412 2.544 1.00 0.00 N ATOM 565 CA TRP A 70 -4.469 17.956 1.454 1.00 0.00 C ATOM 566 C TRP A 70 -5.281 18.362 0.217 1.00 0.00 C ATOM 567 O TRP A 70 -4.834 19.239 -0.514 1.00 0.00 O ATOM 568 CB TRP A 70 -3.350 16.977 1.080 1.00 0.00 C ATOM 569 CG TRP A 70 -2.051 17.257 1.768 1.00 0.00 C ATOM 570 CD1 TRP A 70 -0.920 17.659 1.145 1.00 0.00 C ATOM 571 CD2 TRP A 70 -1.738 17.250 3.197 1.00 0.00 C ATOM 572 NE1 TRP A 70 0.069 17.881 2.080 1.00 0.00 N ATOM 573 CE2 TRP A 70 -0.389 17.673 3.361 1.00 0.00 C ATOM 574 CE3 TRP A 70 -2.457 16.966 4.377 1.00 0.00 C ATOM 575 CZ2 TRP A 70 0.204 17.824 4.622 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -1.864 17.072 5.649 1.00 0.00 C ATOM 577 CH2 TRP A 70 -0.529 17.493 5.773 1.00 0.00 C ATOM 0 H TRP A 70 -5.175 16.406 2.678 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.031 18.879 1.833 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.669 15.964 1.324 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.195 17.011 0.002 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -0.808 17.787 0.078 1.00 0.00 H new ATOM 0 HE1 TRP A 70 1.022 18.164 1.851 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.490 16.659 4.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.216 18.192 4.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.436 16.829 6.532 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.069 17.562 6.748 1.00 0.00 H new ATOM 588 N ILE A 71 -6.464 17.789 -0.018 1.00 0.00 N ATOM 589 CA ILE A 71 -7.356 18.173 -1.123 1.00 0.00 C ATOM 590 C ILE A 71 -8.043 19.529 -0.864 1.00 0.00 C ATOM 591 O ILE A 71 -8.258 20.292 -1.806 1.00 0.00 O ATOM 592 CB ILE A 71 -8.351 17.016 -1.414 1.00 0.00 C ATOM 593 CG1 ILE A 71 -7.824 16.097 -2.539 1.00 0.00 C ATOM 594 CG2 ILE A 71 -9.761 17.495 -1.811 1.00 0.00 C ATOM 595 CD1 ILE A 71 -6.573 15.287 -2.181 1.00 0.00 C ATOM 0 H ILE A 71 -6.837 17.035 0.559 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.765 18.329 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.430 16.472 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.617 15.406 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.604 16.709 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.399 16.632 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -10.184 18.090 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -9.698 18.103 -2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.280 14.674 -3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.760 15.967 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.788 14.644 -1.328 1.00 0.00 H new ATOM 607 N THR A 72 -8.373 19.849 0.395 1.00 0.00 N ATOM 608 CA THR A 72 -9.067 21.095 0.779 1.00 0.00 C ATOM 609 C THR A 72 -8.124 22.101 1.444 1.00 0.00 C ATOM 610 O THR A 72 -7.916 23.190 0.908 1.00 0.00 O ATOM 611 CB THR A 72 -10.342 20.830 1.617 1.00 0.00 C ATOM 612 OG1 THR A 72 -10.679 21.947 2.404 1.00 0.00 O ATOM 613 CG2 THR A 72 -10.269 19.629 2.560 1.00 0.00 C ATOM 0 H THR A 72 -8.164 19.244 1.189 1.00 0.00 H new ATOM 0 HA THR A 72 -9.407 21.558 -0.147 1.00 0.00 H new ATOM 0 HB THR A 72 -11.096 20.616 0.859 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.488 21.751 2.921 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.211 19.532 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.086 18.723 1.982 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.457 19.775 3.272 1.00 0.00 H new ATOM 621 N SER A 73 -7.550 21.742 2.597 1.00 0.00 N ATOM 622 CA SER A 73 -6.672 22.601 3.398 1.00 0.00 C ATOM 623 C SER A 73 -5.297 22.800 2.753 1.00 0.00 C ATOM 624 O SER A 73 -4.684 23.848 2.939 1.00 0.00 O ATOM 625 CB SER A 73 -6.509 22.000 4.799 1.00 0.00 C ATOM 626 OG SER A 73 -6.223 23.025 5.723 1.00 0.00 O ATOM 0 H SER A 73 -7.687 20.820 3.010 1.00 0.00 H new ATOM 0 HA SER A 73 -7.141 23.583 3.460 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.421 21.478 5.090 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.706 21.263 4.798 1.00 0.00 H new ATOM 0 HG SER A 73 -6.121 22.639 6.618 1.00 0.00 H new ATOM 632 N ARG A 74 -4.838 21.812 1.962 1.00 0.00 N ATOM 633 CA ARG A 74 -3.572 21.837 1.206 1.00 0.00 C ATOM 634 C ARG A 74 -2.372 22.136 2.120 1.00 0.00 C ATOM 635 O ARG A 74 -1.542 22.998 1.826 1.00 0.00 O ATOM 636 CB ARG A 74 -3.688 22.827 0.026 1.00 0.00 C ATOM 637 CG ARG A 74 -4.738 22.447 -1.037 1.00 0.00 C ATOM 638 CD ARG A 74 -4.136 21.660 -2.210 1.00 0.00 C ATOM 639 NE ARG A 74 -3.203 22.479 -3.008 1.00 0.00 N ATOM 640 CZ ARG A 74 -2.238 22.028 -3.800 1.00 0.00 C ATOM 641 NH1 ARG A 74 -2.077 20.747 -4.030 1.00 0.00 N ATOM 642 NH2 ARG A 74 -1.408 22.865 -4.376 1.00 0.00 N ATOM 0 H ARG A 74 -5.357 20.944 1.827 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.387 20.846 0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.932 23.813 0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.715 22.909 -0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.523 21.852 -0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.209 23.354 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.612 20.784 -1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.939 21.296 -2.852 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.310 23.491 -2.945 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.702 20.068 -3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.326 20.429 -4.643 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.502 23.868 -4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.668 22.513 -4.984 1.00 0.00 H new ATOM 656 N SER A 75 -2.288 21.406 3.241 1.00 0.00 N ATOM 657 CA SER A 75 -1.175 21.513 4.192 1.00 0.00 C ATOM 658 C SER A 75 0.182 21.156 3.562 1.00 0.00 C ATOM 659 O SER A 75 0.280 20.695 2.425 1.00 0.00 O ATOM 660 CB SER A 75 -1.446 20.669 5.449 1.00 0.00 C ATOM 661 OG SER A 75 -1.850 21.513 6.506 1.00 0.00 O ATOM 0 H SER A 75 -2.994 20.722 3.514 1.00 0.00 H new ATOM 0 HA SER A 75 -1.111 22.560 4.487 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.220 19.930 5.244 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.548 20.120 5.731 1.00 0.00 H new ATOM 0 HG SER A 75 -2.024 20.975 7.306 1.00 0.00 H new ATOM 667 N ARG A 76 1.263 21.392 4.313 1.00 0.00 N ATOM 668 CA ARG A 76 2.651 21.229 3.861 1.00 0.00 C ATOM 669 C ARG A 76 3.581 21.062 5.065 1.00 0.00 C ATOM 670 O ARG A 76 3.887 22.046 5.734 1.00 0.00 O ATOM 671 CB ARG A 76 3.051 22.422 2.962 1.00 0.00 C ATOM 672 CG ARG A 76 2.802 23.820 3.580 1.00 0.00 C ATOM 673 CD ARG A 76 1.936 24.746 2.710 1.00 0.00 C ATOM 674 NE ARG A 76 2.733 25.514 1.731 1.00 0.00 N ATOM 675 CZ ARG A 76 2.358 26.629 1.102 1.00 0.00 C ATOM 676 NH1 ARG A 76 1.161 27.150 1.224 1.00 0.00 N ATOM 677 NH2 ARG A 76 3.175 27.276 0.308 1.00 0.00 N ATOM 0 H ARG A 76 1.196 21.711 5.280 1.00 0.00 H new ATOM 0 HA ARG A 76 2.743 20.324 3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.109 22.333 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.499 22.352 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.321 23.696 4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.763 24.302 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.192 24.150 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.391 25.438 3.353 1.00 0.00 H new ATOM 0 HE ARG A 76 3.663 25.156 1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.468 26.700 1.822 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.923 28.005 0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.123 26.929 0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.863 28.126 -0.161 1.00 0.00 H new ATOM 691 N LYS A 77 3.947 19.812 5.393 1.00 0.00 N ATOM 692 CA LYS A 77 4.811 19.469 6.544 1.00 0.00 C ATOM 693 C LYS A 77 5.145 17.980 6.666 1.00 0.00 C ATOM 694 O LYS A 77 6.210 17.627 7.165 1.00 0.00 O ATOM 695 CB LYS A 77 4.150 19.935 7.864 1.00 0.00 C ATOM 696 CG LYS A 77 4.990 21.010 8.576 1.00 0.00 C ATOM 697 CD LYS A 77 6.160 20.417 9.380 1.00 0.00 C ATOM 698 CE LYS A 77 5.670 19.749 10.672 1.00 0.00 C ATOM 699 NZ LYS A 77 5.268 20.757 11.682 1.00 0.00 N ATOM 0 H LYS A 77 3.648 18.995 4.860 1.00 0.00 H new ATOM 0 HA LYS A 77 5.751 19.990 6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.157 20.331 7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.018 19.079 8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.381 21.708 7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.348 21.582 9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.690 19.686 8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.872 21.205 9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.825 19.098 10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.460 19.118 11.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.104 20.287 12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.024 21.464 11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.394 21.228 11.373 1.00 0.00 H new ATOM 713 N THR A 78 4.219 17.104 6.275 1.00 0.00 N ATOM 714 CA THR A 78 4.407 15.650 6.242 1.00 0.00 C ATOM 715 C THR A 78 5.520 15.246 5.267 1.00 0.00 C ATOM 716 O THR A 78 5.787 15.956 4.294 1.00 0.00 O ATOM 717 CB THR A 78 3.093 14.938 5.851 1.00 0.00 C ATOM 718 OG1 THR A 78 2.253 15.822 5.147 1.00 0.00 O ATOM 719 CG2 THR A 78 2.335 14.420 7.077 1.00 0.00 C ATOM 0 H THR A 78 3.291 17.392 5.964 1.00 0.00 H new ATOM 0 HA THR A 78 4.700 15.341 7.245 1.00 0.00 H new ATOM 0 HB THR A 78 3.366 14.089 5.225 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.668 16.291 5.779 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.418 13.927 6.756 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.960 13.709 7.617 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.087 15.256 7.732 1.00 0.00 H new ATOM 727 N PRO A 79 6.160 14.086 5.500 1.00 0.00 N ATOM 728 CA PRO A 79 7.240 13.602 4.655 1.00 0.00 C ATOM 729 C PRO A 79 6.721 13.248 3.256 1.00 0.00 C ATOM 730 O PRO A 79 5.776 12.471 3.105 1.00 0.00 O ATOM 731 CB PRO A 79 7.837 12.397 5.394 1.00 0.00 C ATOM 732 CG PRO A 79 6.703 11.909 6.289 1.00 0.00 C ATOM 733 CD PRO A 79 5.907 13.168 6.602 1.00 0.00 C ATOM 0 HA PRO A 79 8.007 14.359 4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.157 11.622 4.698 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.712 12.682 5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 79 6.088 11.165 5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.085 11.443 7.197 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.843 12.946 6.689 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.220 13.602 7.551 1.00 0.00 H new ATOM 741 N ILE A 80 7.383 13.780 2.222 1.00 0.00 N ATOM 742 CA ILE A 80 7.081 13.505 0.807 1.00 0.00 C ATOM 743 C ILE A 80 6.949 12.008 0.509 1.00 0.00 C ATOM 744 O ILE A 80 6.066 11.612 -0.247 1.00 0.00 O ATOM 745 CB ILE A 80 8.135 14.137 -0.132 1.00 0.00 C ATOM 746 CG1 ILE A 80 9.589 13.817 0.297 1.00 0.00 C ATOM 747 CG2 ILE A 80 7.901 15.650 -0.255 1.00 0.00 C ATOM 748 CD1 ILE A 80 10.652 14.261 -0.711 1.00 0.00 C ATOM 0 H ILE A 80 8.161 14.428 2.345 1.00 0.00 H new ATOM 0 HA ILE A 80 6.113 13.967 0.614 1.00 0.00 H new ATOM 0 HB ILE A 80 8.007 13.685 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.788 14.299 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.681 12.743 0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.650 16.081 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.907 15.832 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.980 16.112 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.641 14.000 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.482 13.759 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 80 10.591 15.340 -0.853 1.00 0.00 H new ATOM 760 N PHE A 81 7.785 11.176 1.141 1.00 0.00 N ATOM 761 CA PHE A 81 7.767 9.726 0.997 1.00 0.00 C ATOM 762 C PHE A 81 6.400 9.137 1.375 1.00 0.00 C ATOM 763 O PHE A 81 5.892 8.283 0.653 1.00 0.00 O ATOM 764 CB PHE A 81 8.909 9.124 1.830 1.00 0.00 C ATOM 765 CG PHE A 81 9.237 7.689 1.462 1.00 0.00 C ATOM 766 CD1 PHE A 81 8.491 6.626 2.005 1.00 0.00 C ATOM 767 CD2 PHE A 81 10.276 7.417 0.550 1.00 0.00 C ATOM 768 CE1 PHE A 81 8.774 5.301 1.630 1.00 0.00 C ATOM 769 CE2 PHE A 81 10.560 6.091 0.175 1.00 0.00 C ATOM 770 CZ PHE A 81 9.804 5.034 0.710 1.00 0.00 C ATOM 0 H PHE A 81 8.508 11.506 1.781 1.00 0.00 H new ATOM 0 HA PHE A 81 7.926 9.467 -0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.802 9.736 1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.640 9.167 2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.699 6.829 2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.856 8.229 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.200 4.487 2.049 1.00 0.00 H new ATOM 0 HE2 PHE A 81 11.358 5.886 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 81 10.014 4.017 0.415 1.00 0.00 H new ATOM 780 N ILE A 82 5.774 9.630 2.456 1.00 0.00 N ATOM 781 CA ILE A 82 4.424 9.229 2.869 1.00 0.00 C ATOM 782 C ILE A 82 3.399 9.662 1.827 1.00 0.00 C ATOM 783 O ILE A 82 2.644 8.815 1.349 1.00 0.00 O ATOM 784 CB ILE A 82 4.083 9.770 4.281 1.00 0.00 C ATOM 785 CG1 ILE A 82 4.794 8.931 5.366 1.00 0.00 C ATOM 786 CG2 ILE A 82 2.575 9.879 4.578 1.00 0.00 C ATOM 787 CD1 ILE A 82 4.266 7.499 5.541 1.00 0.00 C ATOM 0 H ILE A 82 6.197 10.324 3.072 1.00 0.00 H new ATOM 0 HA ILE A 82 4.391 8.141 2.934 1.00 0.00 H new ATOM 0 HB ILE A 82 4.455 10.794 4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.856 8.882 5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.707 9.452 6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.430 10.266 5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.111 10.555 3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.116 8.894 4.498 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.831 6.996 6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.212 7.531 5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.379 6.952 4.605 1.00 0.00 H new ATOM 799 N ILE A 83 3.374 10.955 1.473 1.00 0.00 N ATOM 800 CA ILE A 83 2.400 11.507 0.520 1.00 0.00 C ATOM 801 C ILE A 83 2.488 10.794 -0.838 1.00 0.00 C ATOM 802 O ILE A 83 1.463 10.449 -1.426 1.00 0.00 O ATOM 803 CB ILE A 83 2.552 13.040 0.378 1.00 0.00 C ATOM 804 CG1 ILE A 83 2.473 13.787 1.730 1.00 0.00 C ATOM 805 CG2 ILE A 83 1.487 13.592 -0.590 1.00 0.00 C ATOM 806 CD1 ILE A 83 1.183 13.542 2.517 1.00 0.00 C ATOM 0 H ILE A 83 4.028 11.647 1.839 1.00 0.00 H new ATOM 0 HA ILE A 83 1.403 11.322 0.919 1.00 0.00 H new ATOM 0 HB ILE A 83 3.550 13.218 -0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.321 13.488 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.574 14.857 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.604 14.672 -0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.610 13.129 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.493 13.366 -0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.214 14.104 3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.328 13.868 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.087 12.479 2.737 1.00 0.00 H new ATOM 818 N ASN A 84 3.704 10.518 -1.315 1.00 0.00 N ATOM 819 CA ASN A 84 3.935 9.769 -2.545 1.00 0.00 C ATOM 820 C ASN A 84 3.480 8.304 -2.415 1.00 0.00 C ATOM 821 O ASN A 84 2.766 7.823 -3.296 1.00 0.00 O ATOM 822 CB ASN A 84 5.416 9.885 -2.938 1.00 0.00 C ATOM 823 CG ASN A 84 5.832 11.296 -3.349 1.00 0.00 C ATOM 824 OD1 ASN A 84 5.035 12.157 -3.700 1.00 0.00 O ATOM 825 ND2 ASN A 84 7.124 11.562 -3.356 1.00 0.00 N ATOM 0 H ASN A 84 4.563 10.813 -0.851 1.00 0.00 H new ATOM 0 HA ASN A 84 3.330 10.199 -3.343 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.032 9.564 -2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.619 9.201 -3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.454 12.480 -3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.793 10.849 -3.065 1.00 0.00 H new ATOM 832 N GLN A 85 3.834 7.611 -1.320 1.00 0.00 N ATOM 833 CA GLN A 85 3.388 6.238 -1.057 1.00 0.00 C ATOM 834 C GLN A 85 1.861 6.120 -1.099 1.00 0.00 C ATOM 835 O GLN A 85 1.330 5.323 -1.879 1.00 0.00 O ATOM 836 CB GLN A 85 3.932 5.737 0.295 1.00 0.00 C ATOM 837 CG GLN A 85 5.349 5.153 0.201 1.00 0.00 C ATOM 838 CD GLN A 85 5.349 3.786 -0.477 1.00 0.00 C ATOM 839 OE1 GLN A 85 5.367 3.661 -1.689 1.00 0.00 O ATOM 840 NE2 GLN A 85 5.304 2.705 0.279 1.00 0.00 N ATOM 0 H GLN A 85 4.439 7.991 -0.592 1.00 0.00 H new ATOM 0 HA GLN A 85 3.790 5.607 -1.850 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.933 6.563 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.259 4.977 0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.989 5.837 -0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.774 5.064 1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.288 2.794 1.295 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.285 1.781 -0.153 1.00 0.00 H new ATOM 849 N VAL A 86 1.153 6.914 -0.282 1.00 0.00 N ATOM 850 CA VAL A 86 -0.319 6.898 -0.253 1.00 0.00 C ATOM 851 C VAL A 86 -0.897 7.268 -1.619 1.00 0.00 C ATOM 852 O VAL A 86 -1.797 6.575 -2.078 1.00 0.00 O ATOM 853 CB VAL A 86 -0.934 7.764 0.871 1.00 0.00 C ATOM 854 CG1 VAL A 86 -0.482 7.271 2.253 1.00 0.00 C ATOM 855 CG2 VAL A 86 -0.640 9.259 0.730 1.00 0.00 C ATOM 0 H VAL A 86 1.576 7.576 0.368 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.602 5.872 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.013 7.647 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.928 7.896 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.801 6.238 2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.604 7.328 2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.104 9.800 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.438 9.421 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.044 9.622 -0.215 1.00 0.00 H new ATOM 865 N SER A 87 -0.358 8.295 -2.294 1.00 0.00 N ATOM 866 CA SER A 87 -0.797 8.718 -3.627 1.00 0.00 C ATOM 867 C SER A 87 -0.793 7.552 -4.614 1.00 0.00 C ATOM 868 O SER A 87 -1.842 7.213 -5.166 1.00 0.00 O ATOM 869 CB SER A 87 0.075 9.873 -4.132 1.00 0.00 C ATOM 870 OG SER A 87 -0.267 10.208 -5.462 1.00 0.00 O ATOM 0 H SER A 87 0.405 8.861 -1.922 1.00 0.00 H new ATOM 0 HA SER A 87 -1.826 9.070 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.054 10.742 -3.487 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.127 9.591 -4.081 1.00 0.00 H new ATOM 0 HG SER A 87 0.298 10.948 -5.769 1.00 0.00 H new ATOM 876 N LEU A 88 0.360 6.893 -4.788 1.00 0.00 N ATOM 877 CA LEU A 88 0.471 5.727 -5.663 1.00 0.00 C ATOM 878 C LEU A 88 -0.524 4.638 -5.254 1.00 0.00 C ATOM 879 O LEU A 88 -1.300 4.192 -6.100 1.00 0.00 O ATOM 880 CB LEU A 88 1.922 5.207 -5.691 1.00 0.00 C ATOM 881 CG LEU A 88 2.818 5.819 -6.788 1.00 0.00 C ATOM 882 CD1 LEU A 88 2.448 5.297 -8.184 1.00 0.00 C ATOM 883 CD2 LEU A 88 2.803 7.350 -6.808 1.00 0.00 C ATOM 0 H LEU A 88 1.233 7.153 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 88 0.213 6.028 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.379 5.401 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.901 4.125 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 88 3.828 5.499 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.102 5.752 -8.928 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.567 4.214 -8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.412 5.554 -8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.455 7.710 -7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.787 7.702 -6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.157 7.730 -5.850 1.00 0.00 H new ATOM 895 N PHE A 89 -0.554 4.254 -3.970 1.00 0.00 N ATOM 896 CA PHE A 89 -1.507 3.263 -3.466 1.00 0.00 C ATOM 897 C PHE A 89 -2.962 3.600 -3.809 1.00 0.00 C ATOM 898 O PHE A 89 -3.667 2.712 -4.285 1.00 0.00 O ATOM 899 CB PHE A 89 -1.325 3.037 -1.956 1.00 0.00 C ATOM 900 CG PHE A 89 -0.332 1.942 -1.612 1.00 0.00 C ATOM 901 CD1 PHE A 89 -0.569 0.624 -2.052 1.00 0.00 C ATOM 902 CD2 PHE A 89 0.811 2.222 -0.839 1.00 0.00 C ATOM 903 CE1 PHE A 89 0.342 -0.401 -1.740 1.00 0.00 C ATOM 904 CE2 PHE A 89 1.719 1.196 -0.523 1.00 0.00 C ATOM 905 CZ PHE A 89 1.486 -0.115 -0.977 1.00 0.00 C ATOM 0 H PHE A 89 0.078 4.620 -3.258 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.282 2.329 -3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.996 3.969 -1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.291 2.788 -1.517 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.453 0.401 -2.631 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.991 3.227 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.162 -1.408 -2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.596 1.414 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.187 -0.902 -0.739 1.00 0.00 H new ATOM 915 N LEU A 90 -3.403 4.853 -3.630 1.00 0.00 N ATOM 916 CA LEU A 90 -4.755 5.310 -3.980 1.00 0.00 C ATOM 917 C LEU A 90 -5.078 5.069 -5.458 1.00 0.00 C ATOM 918 O LEU A 90 -6.106 4.463 -5.767 1.00 0.00 O ATOM 919 CB LEU A 90 -4.917 6.808 -3.671 1.00 0.00 C ATOM 920 CG LEU A 90 -4.928 7.169 -2.179 1.00 0.00 C ATOM 921 CD1 LEU A 90 -4.641 8.671 -2.018 1.00 0.00 C ATOM 922 CD2 LEU A 90 -6.256 6.774 -1.519 1.00 0.00 C ATOM 0 H LEU A 90 -2.821 5.589 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.450 4.728 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.106 7.352 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.847 7.157 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.146 6.605 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.648 8.931 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.664 8.902 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.407 9.246 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.232 7.043 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.076 7.299 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.405 5.699 -1.616 1.00 0.00 H new ATOM 934 N ILE A 91 -4.219 5.547 -6.367 1.00 0.00 N ATOM 935 CA ILE A 91 -4.446 5.382 -7.808 1.00 0.00 C ATOM 936 C ILE A 91 -4.424 3.901 -8.187 1.00 0.00 C ATOM 937 O ILE A 91 -5.345 3.440 -8.857 1.00 0.00 O ATOM 938 CB ILE A 91 -3.431 6.192 -8.641 1.00 0.00 C ATOM 939 CG1 ILE A 91 -3.578 7.715 -8.375 1.00 0.00 C ATOM 940 CG2 ILE A 91 -3.634 5.915 -10.143 1.00 0.00 C ATOM 941 CD1 ILE A 91 -2.284 8.407 -7.923 1.00 0.00 C ATOM 0 H ILE A 91 -3.363 6.049 -6.131 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.435 5.778 -8.040 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.430 5.880 -8.343 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.935 8.198 -9.285 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -4.342 7.866 -7.613 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.912 6.492 -10.720 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.490 4.853 -10.340 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.644 6.204 -10.433 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.476 9.467 -7.760 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.934 7.955 -6.995 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.521 8.291 -8.693 1.00 0.00 H new ATOM 953 N ILE A 92 -3.402 3.154 -7.751 1.00 0.00 N ATOM 954 CA ILE A 92 -3.246 1.725 -8.055 1.00 0.00 C ATOM 955 C ILE A 92 -4.470 0.935 -7.567 1.00 0.00 C ATOM 956 O ILE A 92 -5.003 0.115 -8.314 1.00 0.00 O ATOM 957 CB ILE A 92 -1.928 1.185 -7.455 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.689 1.876 -8.074 1.00 0.00 C ATOM 959 CG2 ILE A 92 -1.825 -0.338 -7.663 1.00 0.00 C ATOM 960 CD1 ILE A 92 0.546 1.782 -7.166 1.00 0.00 C ATOM 0 H ILE A 92 -2.651 3.529 -7.171 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.187 1.596 -9.136 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.945 1.408 -6.388 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.464 1.419 -9.038 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.918 2.924 -8.265 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.891 -0.701 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.665 -0.830 -7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.846 -0.562 -8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.388 2.281 -7.645 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.333 2.263 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.794 0.734 -6.996 1.00 0.00 H new ATOM 972 N LEU A 93 -4.953 1.222 -6.350 1.00 0.00 N ATOM 973 CA LEU A 93 -6.212 0.710 -5.811 1.00 0.00 C ATOM 974 C LEU A 93 -7.382 1.037 -6.744 1.00 0.00 C ATOM 975 O LEU A 93 -8.063 0.117 -7.196 1.00 0.00 O ATOM 976 CB LEU A 93 -6.405 1.258 -4.382 1.00 0.00 C ATOM 977 CG LEU A 93 -7.824 1.174 -3.789 1.00 0.00 C ATOM 978 CD1 LEU A 93 -8.376 -0.254 -3.811 1.00 0.00 C ATOM 979 CD2 LEU A 93 -7.833 1.711 -2.352 1.00 0.00 C ATOM 0 H LEU A 93 -4.462 1.834 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.179 -0.378 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.728 0.721 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.096 2.303 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.470 1.789 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.378 -0.263 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.417 -0.612 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.726 -0.904 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.842 1.646 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.155 1.118 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.508 2.751 -2.350 1.00 0.00 H new ATOM 991 N HIS A 94 -7.625 2.324 -7.032 1.00 0.00 N ATOM 992 CA HIS A 94 -8.760 2.746 -7.853 1.00 0.00 C ATOM 993 C HIS A 94 -8.730 2.096 -9.244 1.00 0.00 C ATOM 994 O HIS A 94 -9.748 1.572 -9.696 1.00 0.00 O ATOM 995 CB HIS A 94 -8.804 4.278 -7.943 1.00 0.00 C ATOM 996 CG HIS A 94 -10.192 4.801 -8.212 1.00 0.00 C ATOM 997 ND1 HIS A 94 -11.044 5.308 -7.257 1.00 0.00 N ATOM 998 CD2 HIS A 94 -10.843 4.847 -9.417 1.00 0.00 C ATOM 999 CE1 HIS A 94 -12.181 5.665 -7.877 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -12.109 5.397 -9.190 1.00 0.00 N ATOM 0 H HIS A 94 -7.042 3.094 -6.703 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.676 2.404 -7.371 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.433 4.704 -7.011 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -8.134 4.612 -8.735 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.450 4.519 -10.368 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.036 6.107 -7.386 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.836 5.562 -9.887 1.00 0.00 H new ATOM 1008 N SER A 95 -7.560 2.074 -9.895 1.00 0.00 N ATOM 1009 CA SER A 95 -7.328 1.396 -11.171 1.00 0.00 C ATOM 1010 C SER A 95 -7.632 -0.099 -11.077 1.00 0.00 C ATOM 1011 O SER A 95 -8.459 -0.587 -11.846 1.00 0.00 O ATOM 1012 CB SER A 95 -5.890 1.619 -11.657 1.00 0.00 C ATOM 1013 OG SER A 95 -5.764 2.918 -12.202 1.00 0.00 O ATOM 0 H SER A 95 -6.727 2.541 -9.536 1.00 0.00 H new ATOM 0 HA SER A 95 -8.012 1.832 -11.899 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.193 1.493 -10.829 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.630 0.873 -12.408 1.00 0.00 H new ATOM 0 HG SER A 95 -4.844 3.056 -12.509 1.00 0.00 H new ATOM 1019 N ALA A 96 -7.003 -0.830 -10.144 1.00 0.00 N ATOM 1020 CA ALA A 96 -7.218 -2.269 -9.982 1.00 0.00 C ATOM 1021 C ALA A 96 -8.687 -2.605 -9.675 1.00 0.00 C ATOM 1022 O ALA A 96 -9.230 -3.550 -10.250 1.00 0.00 O ATOM 1023 CB ALA A 96 -6.284 -2.809 -8.893 1.00 0.00 C ATOM 0 H ALA A 96 -6.333 -0.437 -9.483 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.982 -2.757 -10.928 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.445 -3.880 -8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.248 -2.628 -9.179 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.494 -2.303 -7.950 1.00 0.00 H new ATOM 1029 N LEU A 97 -9.347 -1.809 -8.819 1.00 0.00 N ATOM 1030 CA LEU A 97 -10.783 -1.910 -8.563 1.00 0.00 C ATOM 1031 C LEU A 97 -11.599 -1.708 -9.839 1.00 0.00 C ATOM 1032 O LEU A 97 -12.420 -2.563 -10.153 1.00 0.00 O ATOM 1033 CB LEU A 97 -11.239 -0.914 -7.480 1.00 0.00 C ATOM 1034 CG LEU A 97 -11.241 -1.493 -6.054 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -11.690 -0.402 -5.076 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -12.184 -2.698 -5.922 1.00 0.00 C ATOM 0 H LEU A 97 -8.890 -1.072 -8.283 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.964 -2.921 -8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.586 -0.042 -7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -12.244 -0.567 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.230 -1.832 -5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.695 -0.802 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.001 0.441 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -12.694 -0.068 -5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.153 -3.074 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.201 -2.392 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -11.868 -3.484 -6.607 1.00 0.00 H new ATOM 1048 N TYR A 98 -11.388 -0.612 -10.578 1.00 0.00 N ATOM 1049 CA TYR A 98 -12.147 -0.356 -11.803 1.00 0.00 C ATOM 1050 C TYR A 98 -11.916 -1.466 -12.839 1.00 0.00 C ATOM 1051 O TYR A 98 -12.883 -1.994 -13.386 1.00 0.00 O ATOM 1052 CB TYR A 98 -11.835 1.041 -12.365 1.00 0.00 C ATOM 1053 CG TYR A 98 -13.042 1.749 -12.959 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -13.758 1.176 -14.029 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -13.464 2.982 -12.418 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -14.893 1.822 -14.555 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -14.592 3.638 -12.946 1.00 0.00 C ATOM 1058 CZ TYR A 98 -15.312 3.057 -14.012 1.00 0.00 C ATOM 1059 OH TYR A 98 -16.403 3.694 -14.517 1.00 0.00 O ATOM 0 H TYR A 98 -10.701 0.107 -10.349 1.00 0.00 H new ATOM 0 HA TYR A 98 -13.209 -0.369 -11.556 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.420 1.658 -11.568 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -11.066 0.950 -13.132 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.434 0.235 -14.448 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -12.920 3.424 -11.596 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.441 1.375 -15.371 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -14.907 4.586 -12.535 1.00 0.00 H new ATOM 0 HH TYR A 98 -16.550 4.529 -14.026 1.00 0.00 H new ATOM 1069 N PHE A 99 -10.655 -1.868 -13.062 1.00 0.00 N ATOM 1070 CA PHE A 99 -10.289 -2.976 -13.946 1.00 0.00 C ATOM 1071 C PHE A 99 -10.977 -4.286 -13.546 1.00 0.00 C ATOM 1072 O PHE A 99 -11.617 -4.921 -14.384 1.00 0.00 O ATOM 1073 CB PHE A 99 -8.761 -3.144 -14.016 1.00 0.00 C ATOM 1074 CG PHE A 99 -8.071 -2.238 -15.023 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -8.443 -2.288 -16.381 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -7.030 -1.376 -14.623 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -7.804 -1.465 -17.325 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -6.386 -0.556 -15.568 1.00 0.00 C ATOM 1079 CZ PHE A 99 -6.777 -0.596 -16.918 1.00 0.00 C ATOM 0 H PHE A 99 -9.850 -1.421 -12.623 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.647 -2.724 -14.944 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.342 -2.953 -13.028 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -8.533 -4.181 -14.264 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.224 -2.963 -16.699 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.725 -1.345 -13.587 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.102 -1.501 -18.362 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.591 0.105 -15.256 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.289 0.040 -17.641 1.00 0.00 H new ATOM 1089 N LYS A 100 -10.886 -4.697 -12.274 1.00 0.00 N ATOM 1090 CA LYS A 100 -11.548 -5.928 -11.835 1.00 0.00 C ATOM 1091 C LYS A 100 -13.074 -5.823 -11.887 1.00 0.00 C ATOM 1092 O LYS A 100 -13.715 -6.821 -12.198 1.00 0.00 O ATOM 1093 CB LYS A 100 -11.007 -6.401 -10.477 1.00 0.00 C ATOM 1094 CG LYS A 100 -11.777 -5.867 -9.261 1.00 0.00 C ATOM 1095 CD LYS A 100 -11.095 -6.258 -7.941 1.00 0.00 C ATOM 1096 CE LYS A 100 -12.146 -6.670 -6.897 1.00 0.00 C ATOM 1097 NZ LYS A 100 -11.585 -7.566 -5.851 1.00 0.00 N ATOM 0 H LYS A 100 -10.370 -4.205 -11.545 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.297 -6.710 -12.551 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.026 -7.491 -10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.963 -6.098 -10.391 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.851 -4.781 -9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -12.795 -6.257 -9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.401 -7.081 -8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.508 -5.420 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.555 -5.777 -6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.973 -7.173 -7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.331 -7.816 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.218 -8.432 -6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.813 -7.078 -5.354 1.00 0.00 H new ATOM 1111 N TYR A 101 -13.651 -4.643 -11.630 1.00 0.00 N ATOM 1112 CA TYR A 101 -15.085 -4.356 -11.734 1.00 0.00 C ATOM 1113 C TYR A 101 -15.588 -4.552 -13.172 1.00 0.00 C ATOM 1114 O TYR A 101 -16.549 -5.297 -13.388 1.00 0.00 O ATOM 1115 CB TYR A 101 -15.349 -2.936 -11.192 1.00 0.00 C ATOM 1116 CG TYR A 101 -16.568 -2.221 -11.739 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -17.833 -2.407 -11.152 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -16.421 -1.354 -12.841 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -18.955 -1.745 -11.686 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -17.540 -0.703 -13.386 1.00 0.00 C ATOM 1121 CZ TYR A 101 -18.815 -0.903 -12.811 1.00 0.00 C ATOM 1122 OH TYR A 101 -19.909 -0.293 -13.342 1.00 0.00 O ATOM 0 H TYR A 101 -13.110 -3.831 -11.332 1.00 0.00 H new ATOM 0 HA TYR A 101 -15.652 -5.062 -11.127 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -15.447 -2.997 -10.108 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -14.472 -2.323 -11.399 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -17.943 -3.055 -10.295 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -15.443 -1.190 -13.268 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -19.926 -1.882 -11.234 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -17.426 -0.053 -14.241 1.00 0.00 H new ATOM 0 HH TYR A 101 -19.639 0.252 -14.111 1.00 0.00 H new ATOM 1132 N LEU A 102 -14.921 -3.929 -14.156 1.00 0.00 N ATOM 1133 CA LEU A 102 -15.316 -4.035 -15.563 1.00 0.00 C ATOM 1134 C LEU A 102 -15.067 -5.436 -16.135 1.00 0.00 C ATOM 1135 O LEU A 102 -15.872 -5.900 -16.941 1.00 0.00 O ATOM 1136 CB LEU A 102 -14.692 -2.898 -16.404 1.00 0.00 C ATOM 1137 CG LEU A 102 -13.152 -2.862 -16.530 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -12.580 -3.881 -17.530 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -12.643 -1.454 -16.883 1.00 0.00 C ATOM 0 H LEU A 102 -14.101 -3.344 -13.998 1.00 0.00 H new ATOM 0 HA LEU A 102 -16.396 -3.898 -15.619 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.110 -2.956 -17.409 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.016 -1.949 -15.978 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.789 -3.146 -15.542 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.494 -3.791 -17.560 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.853 -4.889 -17.218 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.987 -3.685 -18.522 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.556 -1.469 -16.963 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.072 -1.140 -17.834 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.940 -0.754 -16.102 1.00 0.00 H new ATOM 1151 N LEU A 103 -14.005 -6.132 -15.698 1.00 0.00 N ATOM 1152 CA LEU A 103 -13.707 -7.487 -16.170 1.00 0.00 C ATOM 1153 C LEU A 103 -14.648 -8.521 -15.519 1.00 0.00 C ATOM 1154 O LEU A 103 -15.090 -9.452 -16.187 1.00 0.00 O ATOM 1155 CB LEU A 103 -12.193 -7.791 -16.036 1.00 0.00 C ATOM 1156 CG LEU A 103 -11.771 -8.685 -14.853 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -11.948 -10.175 -15.194 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -10.317 -8.433 -14.446 1.00 0.00 C ATOM 0 H LEU A 103 -13.338 -5.773 -15.015 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.917 -7.562 -17.237 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.858 -8.266 -16.958 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.661 -6.843 -15.954 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.420 -8.426 -14.017 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.643 -10.782 -14.342 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.995 -10.374 -15.425 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.332 -10.426 -16.058 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.056 -9.081 -13.609 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.661 -8.647 -15.290 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.198 -7.391 -14.149 1.00 0.00 H new ATOM 1170 N SER A 104 -15.009 -8.330 -14.240 1.00 0.00 N ATOM 1171 CA SER A 104 -15.865 -9.252 -13.478 1.00 0.00 C ATOM 1172 C SER A 104 -17.263 -9.375 -14.076 1.00 0.00 C ATOM 1173 O SER A 104 -17.808 -10.472 -14.120 1.00 0.00 O ATOM 1174 CB SER A 104 -16.005 -8.805 -12.020 1.00 0.00 C ATOM 1175 OG SER A 104 -14.774 -8.946 -11.349 1.00 0.00 O ATOM 0 H SER A 104 -14.710 -7.519 -13.699 1.00 0.00 H new ATOM 0 HA SER A 104 -15.372 -10.223 -13.527 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.333 -7.766 -11.980 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.770 -9.400 -11.521 1.00 0.00 H new ATOM 0 HG SER A 104 -14.122 -8.319 -11.726 1.00 0.00 H new ATOM 1181 N ASN A 105 -17.845 -8.261 -14.541 1.00 0.00 N ATOM 1182 CA ASN A 105 -19.115 -8.288 -15.269 1.00 0.00 C ATOM 1183 C ASN A 105 -18.962 -8.702 -16.745 1.00 0.00 C ATOM 1184 O ASN A 105 -19.948 -9.121 -17.344 1.00 0.00 O ATOM 1185 CB ASN A 105 -19.808 -6.918 -15.150 1.00 0.00 C ATOM 1186 CG ASN A 105 -20.848 -6.904 -14.039 1.00 0.00 C ATOM 1187 OD1 ASN A 105 -22.022 -7.146 -14.268 1.00 0.00 O ATOM 1188 ND2 ASN A 105 -20.457 -6.616 -12.814 1.00 0.00 N ATOM 0 H ASN A 105 -17.452 -7.327 -14.424 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.736 -9.056 -14.808 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -19.061 -6.148 -14.958 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -20.285 -6.669 -16.098 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.136 -6.595 -12.054 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -19.475 -6.414 -12.626 1.00 0.00 H new ATOM 1195 N TYR A 106 -17.756 -8.623 -17.328 1.00 0.00 N ATOM 1196 CA TYR A 106 -17.499 -8.992 -18.725 1.00 0.00 C ATOM 1197 C TYR A 106 -17.828 -10.468 -18.983 1.00 0.00 C ATOM 1198 O TYR A 106 -18.439 -10.799 -19.999 1.00 0.00 O ATOM 1199 CB TYR A 106 -16.031 -8.703 -19.082 1.00 0.00 C ATOM 1200 CG TYR A 106 -15.751 -8.278 -20.514 1.00 0.00 C ATOM 1201 CD1 TYR A 106 -16.158 -9.070 -21.607 1.00 0.00 C ATOM 1202 CD2 TYR A 106 -15.033 -7.087 -20.749 1.00 0.00 C ATOM 1203 CE1 TYR A 106 -15.863 -8.674 -22.926 1.00 0.00 C ATOM 1204 CE2 TYR A 106 -14.726 -6.691 -22.064 1.00 0.00 C ATOM 1205 CZ TYR A 106 -15.134 -7.486 -23.155 1.00 0.00 C ATOM 1206 OH TYR A 106 -14.808 -7.100 -24.419 1.00 0.00 O ATOM 0 H TYR A 106 -16.924 -8.297 -16.836 1.00 0.00 H new ATOM 0 HA TYR A 106 -18.149 -8.390 -19.360 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -15.666 -7.921 -18.417 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -15.446 -9.599 -18.872 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -16.700 -9.987 -21.432 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -14.717 -6.476 -19.916 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -16.193 -9.277 -23.759 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -14.177 -5.777 -22.238 1.00 0.00 H new ATOM 0 HH TYR A 106 -14.307 -6.258 -24.385 1.00 0.00 H new ATOM 1216 N SER A 107 -17.412 -11.357 -18.074 1.00 0.00 N ATOM 1217 CA SER A 107 -17.669 -12.789 -18.183 1.00 0.00 C ATOM 1218 C SER A 107 -17.861 -13.435 -16.814 1.00 0.00 C ATOM 1219 O SER A 107 -16.982 -13.373 -15.958 1.00 0.00 O ATOM 1220 CB SER A 107 -16.522 -13.478 -18.921 1.00 0.00 C ATOM 1221 OG SER A 107 -16.955 -14.765 -19.309 1.00 0.00 O ATOM 0 H SER A 107 -16.885 -11.097 -17.240 1.00 0.00 H new ATOM 0 HA SER A 107 -18.593 -12.913 -18.747 1.00 0.00 H new ATOM 0 HB2 SER A 107 -16.229 -12.896 -19.795 1.00 0.00 H new ATOM 0 HB3 SER A 107 -15.645 -13.550 -18.277 1.00 0.00 H new ATOM 0 HG SER A 107 -16.232 -15.223 -19.786 1.00 0.00 H new ATOM 1227 N SER A 108 -19.005 -14.097 -16.635 1.00 0.00 N ATOM 1228 CA SER A 108 -19.379 -14.816 -15.410 1.00 0.00 C ATOM 1229 C SER A 108 -18.956 -16.295 -15.426 1.00 0.00 C ATOM 1230 O SER A 108 -19.451 -17.082 -14.619 1.00 0.00 O ATOM 1231 CB SER A 108 -20.889 -14.665 -15.188 1.00 0.00 C ATOM 1232 OG SER A 108 -21.174 -13.317 -14.874 1.00 0.00 O ATOM 0 H SER A 108 -19.721 -14.151 -17.359 1.00 0.00 H new ATOM 0 HA SER A 108 -18.837 -14.371 -14.576 1.00 0.00 H new ATOM 0 HB2 SER A 108 -21.433 -14.967 -16.083 1.00 0.00 H new ATOM 0 HB3 SER A 108 -21.218 -15.318 -14.380 1.00 0.00 H new ATOM 0 HG SER A 108 -22.138 -13.211 -14.732 1.00 0.00 H new ATOM 1238 N VAL A 109 -18.067 -16.682 -16.351 1.00 0.00 N ATOM 1239 CA VAL A 109 -17.584 -18.054 -16.558 1.00 0.00 C ATOM 1240 C VAL A 109 -16.083 -18.069 -16.884 1.00 0.00 C ATOM 1241 O VAL A 109 -15.682 -17.773 -18.007 1.00 0.00 O ATOM 1242 CB VAL A 109 -18.400 -18.789 -17.649 1.00 0.00 C ATOM 1243 CG1 VAL A 109 -19.764 -19.249 -17.109 1.00 0.00 C ATOM 1244 CG2 VAL A 109 -18.647 -17.971 -18.932 1.00 0.00 C ATOM 0 H VAL A 109 -17.647 -16.019 -17.003 1.00 0.00 H new ATOM 0 HA VAL A 109 -17.730 -18.595 -15.623 1.00 0.00 H new ATOM 0 HB VAL A 109 -17.774 -19.639 -17.918 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -20.314 -19.762 -17.898 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -19.613 -19.930 -16.271 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -20.334 -18.382 -16.774 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -19.226 -18.567 -19.638 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -19.199 -17.064 -18.685 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -17.691 -17.703 -19.382 1.00 0.00 H new ATOM 1254 N THR A 110 -15.243 -18.390 -15.890 1.00 0.00 N ATOM 1255 CA THR A 110 -13.796 -18.611 -16.068 1.00 0.00 C ATOM 1256 C THR A 110 -13.529 -20.029 -16.583 1.00 0.00 C ATOM 1257 O THR A 110 -13.753 -20.970 -15.788 1.00 0.00 O ATOM 1258 CB THR A 110 -13.032 -18.365 -14.757 1.00 0.00 C ATOM 1259 OG1 THR A 110 -13.391 -17.104 -14.234 1.00 0.00 O ATOM 1260 CG2 THR A 110 -11.511 -18.385 -14.961 1.00 0.00 C ATOM 0 H THR A 110 -15.552 -18.506 -14.925 1.00 0.00 H new ATOM 0 HA THR A 110 -13.436 -17.896 -16.808 1.00 0.00 H new ATOM 0 HB THR A 110 -13.299 -19.168 -14.071 1.00 0.00 H new ATOM 0 HG1 THR A 110 -12.906 -16.947 -13.397 1.00 0.00 H new ATOM 0 HG21 THR A 110 -11.014 -18.207 -14.008 1.00 0.00 H new ATOM 0 HG22 THR A 110 -11.209 -19.357 -15.352 1.00 0.00 H new ATOM 0 HG23 THR A 110 -11.229 -17.606 -15.669 1.00 0.00 H new TER 1268 THR A 110