USER MOD reduce.3.24.130724 H: found=0, std=0, add=230, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 231 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 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 ASN : amide:sc= -0.0482 X(o=-0.048,f=-0.048) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 140 CYS SG : rot -87:sc= -0.968! USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 93:sc= 0.64 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0.0488! USER MOD Single : A 149 SER OG : rot 180:sc= -0.24 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 14.146 -28.294 0.576 1.00 0.00 N ATOM 2 CA LEU A 125 14.023 -29.732 0.785 1.00 0.00 C ATOM 3 C LEU A 125 13.664 -30.431 -0.523 1.00 0.00 C ATOM 4 O LEU A 125 14.517 -31.042 -1.165 1.00 0.00 O ATOM 5 CB LEU A 125 12.944 -30.015 1.836 1.00 0.00 C ATOM 6 CG LEU A 125 12.920 -31.511 2.181 1.00 0.00 C ATOM 7 CD1 LEU A 125 14.239 -31.923 2.844 1.00 0.00 C ATOM 8 CD2 LEU A 125 11.764 -31.788 3.146 1.00 0.00 C ATOM 0 HA LEU A 125 14.980 -30.116 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.139 -29.430 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.969 -29.705 1.460 1.00 0.00 H new ATOM 0 HG LEU A 125 12.787 -32.085 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 125 14.209 -32.986 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.066 -31.728 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.381 -31.348 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 125 11.743 -32.849 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 125 11.903 -31.205 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.822 -31.507 2.675 1.00 0.00 H new ATOM 20 N PHE A 126 12.396 -30.337 -0.909 1.00 0.00 N ATOM 21 CA PHE A 126 11.935 -30.964 -2.143 1.00 0.00 C ATOM 22 C PHE A 126 10.507 -30.534 -2.464 1.00 0.00 C ATOM 23 O PHE A 126 9.599 -31.363 -2.535 1.00 0.00 O ATOM 24 CB PHE A 126 11.992 -32.487 -2.006 1.00 0.00 C ATOM 25 CG PHE A 126 11.584 -33.126 -3.311 1.00 0.00 C ATOM 26 CD1 PHE A 126 12.465 -33.118 -4.399 1.00 0.00 C ATOM 27 CD2 PHE A 126 10.326 -33.726 -3.434 1.00 0.00 C ATOM 28 CE1 PHE A 126 12.088 -33.710 -5.610 1.00 0.00 C ATOM 29 CE2 PHE A 126 9.948 -34.320 -4.645 1.00 0.00 C ATOM 30 CZ PHE A 126 10.829 -34.312 -5.733 1.00 0.00 C ATOM 0 H PHE A 126 11.674 -29.837 -0.390 1.00 0.00 H new ATOM 0 HA PHE A 126 12.588 -30.646 -2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 126 13.000 -32.801 -1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 126 11.330 -32.816 -1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 126 13.436 -32.655 -4.304 1.00 0.00 H new ATOM 0 HD2 PHE A 126 9.646 -33.731 -2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 126 12.768 -33.703 -6.449 1.00 0.00 H new ATOM 0 HE2 PHE A 126 8.977 -34.784 -4.739 1.00 0.00 H new ATOM 0 HZ PHE A 126 10.538 -34.770 -6.667 1.00 0.00 H new ATOM 40 N PRO A 127 10.295 -29.260 -2.655 1.00 0.00 N ATOM 41 CA PRO A 127 8.948 -28.705 -2.975 1.00 0.00 C ATOM 42 C PRO A 127 8.530 -29.005 -4.413 1.00 0.00 C ATOM 43 O PRO A 127 9.371 -29.111 -5.305 1.00 0.00 O ATOM 44 CB PRO A 127 9.115 -27.201 -2.758 1.00 0.00 C ATOM 45 CG PRO A 127 10.568 -26.928 -2.969 1.00 0.00 C ATOM 46 CD PRO A 127 11.320 -28.205 -2.588 1.00 0.00 C ATOM 0 HA PRO A 127 8.166 -29.145 -2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 127 8.503 -26.633 -3.458 1.00 0.00 H new ATOM 0 HB3 PRO A 127 8.803 -26.912 -1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 127 10.764 -26.660 -4.007 1.00 0.00 H new ATOM 0 HG3 PRO A 127 10.896 -26.089 -2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 127 12.142 -28.404 -3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 127 11.751 -28.131 -1.590 1.00 0.00 H new ATOM 54 N GLN A 128 7.226 -29.140 -4.628 1.00 0.00 N ATOM 55 CA GLN A 128 6.707 -29.427 -5.960 1.00 0.00 C ATOM 56 C GLN A 128 6.548 -28.139 -6.762 1.00 0.00 C ATOM 57 O GLN A 128 7.146 -27.982 -7.826 1.00 0.00 O ATOM 58 CB GLN A 128 5.354 -30.134 -5.853 1.00 0.00 C ATOM 59 CG GLN A 128 5.575 -31.643 -5.737 1.00 0.00 C ATOM 60 CD GLN A 128 4.256 -32.340 -5.423 1.00 0.00 C ATOM 61 OE1 GLN A 128 3.837 -32.386 -4.266 1.00 0.00 O ATOM 62 NE2 GLN A 128 3.572 -32.889 -6.388 1.00 0.00 N ATOM 0 H GLN A 128 6.514 -29.056 -3.903 1.00 0.00 H new ATOM 0 HA GLN A 128 7.416 -30.076 -6.473 1.00 0.00 H new ATOM 0 HB2 GLN A 128 4.808 -29.768 -4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 128 4.745 -29.911 -6.729 1.00 0.00 H new ATOM 0 HG2 GLN A 128 5.988 -32.031 -6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 128 6.303 -31.853 -4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 128 3.920 -32.850 -7.346 1.00 0.00 H new ATOM 0 HE22 GLN A 128 2.689 -33.357 -6.185 1.00 0.00 H new ATOM 71 N ILE A 129 5.738 -27.222 -6.246 1.00 0.00 N ATOM 72 CA ILE A 129 5.507 -25.951 -6.922 1.00 0.00 C ATOM 73 C ILE A 129 6.827 -25.224 -7.162 1.00 0.00 C ATOM 74 O ILE A 129 7.422 -24.676 -6.234 1.00 0.00 O ATOM 75 CB ILE A 129 4.584 -25.070 -6.080 1.00 0.00 C ATOM 76 CG1 ILE A 129 3.255 -25.796 -5.854 1.00 0.00 C ATOM 77 CG2 ILE A 129 4.326 -23.753 -6.813 1.00 0.00 C ATOM 78 CD1 ILE A 129 2.417 -25.023 -4.833 1.00 0.00 C ATOM 0 H ILE A 129 5.233 -27.333 -5.367 1.00 0.00 H new ATOM 0 HA ILE A 129 5.036 -26.154 -7.884 1.00 0.00 H new ATOM 0 HB ILE A 129 5.055 -24.864 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 129 2.712 -25.883 -6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 129 3.438 -26.809 -5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 129 3.668 -23.125 -6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 129 5.272 -23.236 -6.976 1.00 0.00 H new ATOM 0 HG23 ILE A 129 3.854 -23.958 -7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 129 1.471 -25.540 -4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 129 2.960 -24.959 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 129 2.222 -24.018 -5.208 1.00 0.00 H new ATOM 90 N ASN A 130 7.279 -25.226 -8.412 1.00 0.00 N ATOM 91 CA ASN A 130 8.531 -24.564 -8.761 1.00 0.00 C ATOM 92 C ASN A 130 8.391 -23.051 -8.629 1.00 0.00 C ATOM 93 O ASN A 130 9.347 -22.359 -8.275 1.00 0.00 O ATOM 94 CB ASN A 130 8.925 -24.919 -10.197 1.00 0.00 C ATOM 95 CG ASN A 130 8.877 -26.429 -10.393 1.00 0.00 C ATOM 96 OD1 ASN A 130 8.157 -26.921 -11.262 1.00 0.00 O ATOM 97 ND2 ASN A 130 9.606 -27.201 -9.633 1.00 0.00 N ATOM 0 H ASN A 130 6.802 -25.674 -9.194 1.00 0.00 H new ATOM 0 HA ASN A 130 9.306 -24.907 -8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 130 8.249 -24.431 -10.899 1.00 0.00 H new ATOM 0 HB3 ASN A 130 9.928 -24.548 -10.410 1.00 0.00 H new ATOM 0 HD21 ASN A 130 9.579 -28.213 -9.759 1.00 0.00 H new ATOM 0 HD22 ASN A 130 10.202 -26.792 -8.913 1.00 0.00 H new ATOM 104 N PHE A 131 7.196 -22.544 -8.913 1.00 0.00 N ATOM 105 CA PHE A 131 6.944 -21.111 -8.822 1.00 0.00 C ATOM 106 C PHE A 131 7.164 -20.618 -7.395 1.00 0.00 C ATOM 107 O PHE A 131 7.378 -19.428 -7.166 1.00 0.00 O ATOM 108 CB PHE A 131 5.508 -20.805 -9.254 1.00 0.00 C ATOM 109 CG PHE A 131 5.357 -21.080 -10.730 1.00 0.00 C ATOM 110 CD1 PHE A 131 5.174 -22.391 -11.183 1.00 0.00 C ATOM 111 CD2 PHE A 131 5.401 -20.023 -11.648 1.00 0.00 C ATOM 112 CE1 PHE A 131 5.034 -22.647 -12.553 1.00 0.00 C ATOM 113 CE2 PHE A 131 5.260 -20.278 -13.017 1.00 0.00 C ATOM 114 CZ PHE A 131 5.077 -21.589 -13.470 1.00 0.00 C ATOM 0 H PHE A 131 6.392 -23.100 -9.206 1.00 0.00 H new ATOM 0 HA PHE A 131 7.640 -20.596 -9.484 1.00 0.00 H new ATOM 0 HB2 PHE A 131 4.808 -21.417 -8.686 1.00 0.00 H new ATOM 0 HB3 PHE A 131 5.267 -19.764 -9.041 1.00 0.00 H new ATOM 0 HD1 PHE A 131 5.141 -23.206 -10.476 1.00 0.00 H new ATOM 0 HD2 PHE A 131 5.544 -19.011 -11.299 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.893 -23.659 -12.902 1.00 0.00 H new ATOM 0 HE2 PHE A 131 5.292 -19.462 -13.724 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.969 -21.785 -14.527 1.00 0.00 H new ATOM 124 N LEU A 132 7.110 -21.541 -6.441 1.00 0.00 N ATOM 125 CA LEU A 132 7.305 -21.188 -5.039 1.00 0.00 C ATOM 126 C LEU A 132 8.704 -20.619 -4.820 1.00 0.00 C ATOM 127 O LEU A 132 8.904 -19.748 -3.973 1.00 0.00 O ATOM 128 CB LEU A 132 7.112 -22.424 -4.158 1.00 0.00 C ATOM 129 CG LEU A 132 7.292 -22.037 -2.689 1.00 0.00 C ATOM 130 CD1 LEU A 132 6.098 -22.541 -1.878 1.00 0.00 C ATOM 131 CD2 LEU A 132 8.577 -22.671 -2.151 1.00 0.00 C ATOM 0 H LEU A 132 6.934 -22.531 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 132 6.570 -20.430 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 132 6.119 -22.844 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 132 7.832 -23.195 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 132 7.356 -20.952 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 132 6.227 -22.265 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 132 5.182 -22.092 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 132 6.033 -23.626 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 132 8.707 -22.397 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 132 8.511 -23.756 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 132 9.429 -22.313 -2.729 1.00 0.00 H new ATOM 143 N GLY A 133 9.667 -21.119 -5.587 1.00 0.00 N ATOM 144 CA GLY A 133 11.044 -20.652 -5.468 1.00 0.00 C ATOM 145 C GLY A 133 11.094 -19.137 -5.312 1.00 0.00 C ATOM 146 O GLY A 133 11.994 -18.598 -4.667 1.00 0.00 O ATOM 0 H GLY A 133 9.522 -21.842 -6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 133 11.520 -21.126 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.610 -20.949 -6.350 1.00 0.00 H new ATOM 150 N SER A 134 10.121 -18.452 -5.905 1.00 0.00 N ATOM 151 CA SER A 134 10.064 -16.997 -5.825 1.00 0.00 C ATOM 152 C SER A 134 9.781 -16.551 -4.394 1.00 0.00 C ATOM 153 O SER A 134 10.521 -15.747 -3.827 1.00 0.00 O ATOM 154 CB SER A 134 8.971 -16.466 -6.752 1.00 0.00 C ATOM 155 OG SER A 134 9.319 -16.753 -8.100 1.00 0.00 O ATOM 0 H SER A 134 9.366 -18.878 -6.443 1.00 0.00 H new ATOM 0 HA SER A 134 11.029 -16.596 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.014 -16.926 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.853 -15.391 -6.616 1.00 0.00 H new ATOM 0 HG SER A 134 8.619 -16.415 -8.697 1.00 0.00 H new ATOM 161 N LEU A 135 8.707 -17.078 -3.817 1.00 0.00 N ATOM 162 CA LEU A 135 8.335 -16.726 -2.451 1.00 0.00 C ATOM 163 C LEU A 135 9.382 -17.231 -1.463 1.00 0.00 C ATOM 164 O LEU A 135 9.530 -16.689 -0.368 1.00 0.00 O ATOM 165 CB LEU A 135 6.973 -17.331 -2.106 1.00 0.00 C ATOM 166 CG LEU A 135 5.929 -16.217 -2.010 1.00 0.00 C ATOM 167 CD1 LEU A 135 5.841 -15.481 -3.347 1.00 0.00 C ATOM 168 CD2 LEU A 135 4.566 -16.826 -1.673 1.00 0.00 C ATOM 0 H LEU A 135 8.082 -17.746 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 135 8.278 -15.640 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.681 -18.053 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.032 -17.871 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 135 6.219 -15.514 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.097 -14.688 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 135 6.812 -15.048 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 135 5.552 -16.182 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.821 -16.034 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.278 -17.528 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.627 -17.350 -0.719 1.00 0.00 H new ATOM 180 N LEU A 136 10.108 -18.272 -1.860 1.00 0.00 N ATOM 181 CA LEU A 136 11.139 -18.843 -1.001 1.00 0.00 C ATOM 182 C LEU A 136 12.257 -17.832 -0.763 1.00 0.00 C ATOM 183 O LEU A 136 12.982 -17.917 0.229 1.00 0.00 O ATOM 184 CB LEU A 136 11.718 -20.103 -1.647 1.00 0.00 C ATOM 185 CG LEU A 136 12.434 -20.938 -0.584 1.00 0.00 C ATOM 186 CD1 LEU A 136 11.450 -21.935 0.032 1.00 0.00 C ATOM 187 CD2 LEU A 136 13.592 -21.701 -1.232 1.00 0.00 C ATOM 0 H LEU A 136 10.003 -18.734 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 136 10.687 -19.101 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 136 10.921 -20.687 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 136 12.414 -19.831 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 136 12.820 -20.280 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.961 -22.530 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 136 10.624 -21.393 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 136 11.064 -22.593 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 136 14.104 -22.297 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 136 13.204 -22.358 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 136 14.294 -20.992 -1.672 1.00 0.00 H new ATOM 199 N ILE A 137 12.390 -16.878 -1.678 1.00 0.00 N ATOM 200 CA ILE A 137 13.424 -15.856 -1.556 1.00 0.00 C ATOM 201 C ILE A 137 13.132 -14.938 -0.374 1.00 0.00 C ATOM 202 O ILE A 137 13.937 -14.826 0.552 1.00 0.00 O ATOM 203 CB ILE A 137 13.494 -15.029 -2.841 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.000 -15.911 -3.985 1.00 0.00 C ATOM 205 CG2 ILE A 137 14.453 -13.854 -2.641 1.00 0.00 C ATOM 206 CD1 ILE A 137 13.762 -15.201 -5.320 1.00 0.00 C ATOM 0 H ILE A 137 11.800 -16.791 -2.506 1.00 0.00 H new ATOM 0 HA ILE A 137 14.381 -16.351 -1.390 1.00 0.00 H new ATOM 0 HB ILE A 137 12.502 -14.649 -3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 137 15.062 -16.119 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 137 13.484 -16.871 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 137 14.503 -13.265 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 137 14.094 -13.227 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 137 15.446 -14.232 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.122 -15.829 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 137 12.696 -15.016 -5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 137 14.299 -14.252 -5.328 1.00 0.00 H new ATOM 218 N ALA A 138 11.978 -14.281 -0.410 1.00 0.00 N ATOM 219 CA ALA A 138 11.591 -13.374 0.665 1.00 0.00 C ATOM 220 C ALA A 138 11.603 -14.099 2.007 1.00 0.00 C ATOM 221 O ALA A 138 11.688 -13.471 3.062 1.00 0.00 O ATOM 222 CB ALA A 138 10.192 -12.816 0.398 1.00 0.00 C ATOM 0 H ALA A 138 11.298 -14.358 -1.166 1.00 0.00 H new ATOM 0 HA ALA A 138 12.309 -12.555 0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 138 9.910 -12.140 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 138 10.191 -12.273 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 138 9.477 -13.637 0.346 1.00 0.00 H new ATOM 228 N GLY A 139 11.518 -15.425 1.959 1.00 0.00 N ATOM 229 CA GLY A 139 11.521 -16.225 3.178 1.00 0.00 C ATOM 230 C GLY A 139 12.876 -16.155 3.872 1.00 0.00 C ATOM 231 O GLY A 139 12.987 -16.430 5.067 1.00 0.00 O ATOM 0 H GLY A 139 11.447 -15.964 1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 139 10.743 -15.869 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 139 11.284 -17.262 2.938 1.00 0.00 H new ATOM 235 N CYS A 140 13.905 -15.787 3.116 1.00 0.00 N ATOM 236 CA CYS A 140 15.250 -15.684 3.669 1.00 0.00 C ATOM 237 C CYS A 140 15.319 -14.566 4.704 1.00 0.00 C ATOM 238 O CYS A 140 16.018 -14.681 5.711 1.00 0.00 O ATOM 239 CB CYS A 140 16.256 -15.410 2.550 1.00 0.00 C ATOM 240 SG CYS A 140 16.314 -13.633 2.213 1.00 0.00 S ATOM 0 H CYS A 140 13.834 -15.556 2.125 1.00 0.00 H new ATOM 0 HA CYS A 140 15.496 -16.628 4.154 1.00 0.00 H new ATOM 0 HB2 CYS A 140 17.244 -15.769 2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 140 15.971 -15.953 1.649 1.00 0.00 H new ATOM 0 HG CYS A 140 15.395 -13.325 1.346 1.00 0.00 H new ATOM 246 N ILE A 141 14.591 -13.484 4.448 1.00 0.00 N ATOM 247 CA ILE A 141 14.577 -12.350 5.365 1.00 0.00 C ATOM 248 C ILE A 141 13.975 -12.753 6.707 1.00 0.00 C ATOM 249 O ILE A 141 14.328 -12.200 7.748 1.00 0.00 O ATOM 250 CB ILE A 141 13.766 -11.202 4.764 1.00 0.00 C ATOM 251 CG1 ILE A 141 14.138 -11.034 3.289 1.00 0.00 C ATOM 252 CG2 ILE A 141 14.074 -9.908 5.517 1.00 0.00 C ATOM 253 CD1 ILE A 141 13.500 -9.754 2.744 1.00 0.00 C ATOM 0 H ILE A 141 14.007 -13.368 3.620 1.00 0.00 H new ATOM 0 HA ILE A 141 15.605 -12.024 5.524 1.00 0.00 H new ATOM 0 HB ILE A 141 12.703 -11.426 4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 141 15.221 -10.988 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 141 13.796 -11.896 2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 141 13.495 -9.090 5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 141 13.810 -10.027 6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 141 15.137 -9.683 5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 141 13.765 -9.634 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 141 12.416 -9.818 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 141 13.864 -8.897 3.310 1.00 0.00 H new ATOM 265 N THR A 142 13.065 -13.722 6.674 1.00 0.00 N ATOM 266 CA THR A 142 12.420 -14.192 7.895 1.00 0.00 C ATOM 267 C THR A 142 13.453 -14.762 8.861 1.00 0.00 C ATOM 268 O THR A 142 13.260 -14.738 10.076 1.00 0.00 O ATOM 269 CB THR A 142 11.386 -15.268 7.558 1.00 0.00 C ATOM 270 OG1 THR A 142 10.453 -14.748 6.621 1.00 0.00 O ATOM 271 CG2 THR A 142 10.652 -15.690 8.832 1.00 0.00 C ATOM 0 H THR A 142 12.760 -14.194 5.823 1.00 0.00 H new ATOM 0 HA THR A 142 11.923 -13.346 8.370 1.00 0.00 H new ATOM 0 HB THR A 142 11.889 -16.134 7.128 1.00 0.00 H new ATOM 0 HG1 THR A 142 9.791 -15.436 6.402 1.00 0.00 H new ATOM 0 HG21 THR A 142 9.916 -16.457 8.591 1.00 0.00 H new ATOM 0 HG22 THR A 142 11.369 -16.089 9.550 1.00 0.00 H new ATOM 0 HG23 THR A 142 10.148 -14.826 9.265 1.00 0.00 H new ATOM 279 N SER A 143 14.550 -15.272 8.313 1.00 0.00 N ATOM 280 CA SER A 143 15.608 -15.846 9.137 1.00 0.00 C ATOM 281 C SER A 143 15.906 -14.944 10.330 1.00 0.00 C ATOM 282 O SER A 143 15.613 -13.749 10.306 1.00 0.00 O ATOM 283 CB SER A 143 16.878 -16.028 8.304 1.00 0.00 C ATOM 284 OG SER A 143 16.622 -16.953 7.255 1.00 0.00 O ATOM 0 H SER A 143 14.730 -15.300 7.309 1.00 0.00 H new ATOM 0 HA SER A 143 15.272 -16.816 9.503 1.00 0.00 H new ATOM 0 HB2 SER A 143 17.196 -15.071 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 143 17.691 -16.390 8.933 1.00 0.00 H new ATOM 0 HG SER A 143 16.349 -16.467 6.449 1.00 0.00 H new ATOM 290 N THR A 144 16.488 -15.525 11.374 1.00 0.00 N ATOM 291 CA THR A 144 16.821 -14.764 12.574 1.00 0.00 C ATOM 292 C THR A 144 18.182 -15.186 13.116 1.00 0.00 C ATOM 293 O THR A 144 19.220 -14.852 12.545 1.00 0.00 O ATOM 294 CB THR A 144 15.751 -14.985 13.645 1.00 0.00 C ATOM 295 OG1 THR A 144 15.727 -16.356 14.013 1.00 0.00 O ATOM 296 CG2 THR A 144 14.383 -14.579 13.095 1.00 0.00 C ATOM 0 H THR A 144 16.738 -16.513 11.414 1.00 0.00 H new ATOM 0 HA THR A 144 16.860 -13.707 12.312 1.00 0.00 H new ATOM 0 HB THR A 144 15.983 -14.378 14.520 1.00 0.00 H new ATOM 0 HG1 THR A 144 15.043 -16.498 14.700 1.00 0.00 H new ATOM 0 HG21 THR A 144 13.622 -14.737 13.859 1.00 0.00 H new ATOM 0 HG22 THR A 144 14.402 -13.526 12.814 1.00 0.00 H new ATOM 0 HG23 THR A 144 14.149 -15.184 12.219 1.00 0.00 H new ATOM 304 N ASP A 145 18.170 -15.924 14.221 1.00 0.00 N ATOM 305 CA ASP A 145 19.410 -16.387 14.833 1.00 0.00 C ATOM 306 C ASP A 145 19.851 -17.711 14.212 1.00 0.00 C ATOM 307 O ASP A 145 19.058 -18.394 13.563 1.00 0.00 O ATOM 308 CB ASP A 145 19.212 -16.567 16.339 1.00 0.00 C ATOM 309 CG ASP A 145 17.761 -16.274 16.711 1.00 0.00 C ATOM 310 OD1 ASP A 145 16.930 -17.140 16.497 1.00 0.00 O ATOM 311 OD2 ASP A 145 17.505 -15.188 17.203 1.00 0.00 O1- ATOM 0 H ASP A 145 17.322 -16.213 14.708 1.00 0.00 H new ATOM 0 HA ASP A 145 20.184 -15.640 14.656 1.00 0.00 H new ATOM 0 HB2 ASP A 145 19.473 -17.585 16.630 1.00 0.00 H new ATOM 0 HB3 ASP A 145 19.878 -15.899 16.885 1.00 0.00 H new ATOM 316 N PRO A 146 21.090 -18.083 14.401 1.00 0.00 N ATOM 317 CA PRO A 146 21.641 -19.351 13.852 1.00 0.00 C ATOM 318 C PRO A 146 20.632 -20.495 13.919 1.00 0.00 C ATOM 319 O PRO A 146 19.644 -20.422 14.651 1.00 0.00 O ATOM 320 CB PRO A 146 22.844 -19.627 14.750 1.00 0.00 C ATOM 321 CG PRO A 146 23.310 -18.286 15.220 1.00 0.00 C ATOM 322 CD PRO A 146 22.106 -17.337 15.160 1.00 0.00 C ATOM 0 HA PRO A 146 21.897 -19.269 12.796 1.00 0.00 H new ATOM 0 HB2 PRO A 146 22.568 -20.263 15.591 1.00 0.00 H new ATOM 0 HB3 PRO A 146 23.631 -20.146 14.203 1.00 0.00 H new ATOM 0 HG2 PRO A 146 23.699 -18.349 16.236 1.00 0.00 H new ATOM 0 HG3 PRO A 146 24.120 -17.919 14.591 1.00 0.00 H new ATOM 0 HD2 PRO A 146 21.750 -17.084 16.158 1.00 0.00 H new ATOM 0 HD3 PRO A 146 22.363 -16.400 14.666 1.00 0.00 H new ATOM 330 N VAL A 147 20.888 -21.549 13.151 1.00 0.00 N ATOM 331 CA VAL A 147 19.995 -22.703 13.131 1.00 0.00 C ATOM 332 C VAL A 147 20.797 -24.000 13.134 1.00 0.00 C ATOM 333 O VAL A 147 21.929 -24.042 12.652 1.00 0.00 O ATOM 334 CB VAL A 147 19.105 -22.653 11.889 1.00 0.00 C ATOM 335 CG1 VAL A 147 19.909 -23.097 10.666 1.00 0.00 C ATOM 336 CG2 VAL A 147 17.912 -23.591 12.080 1.00 0.00 C ATOM 0 H VAL A 147 21.700 -21.629 12.539 1.00 0.00 H new ATOM 0 HA VAL A 147 19.372 -22.673 14.025 1.00 0.00 H new ATOM 0 HB VAL A 147 18.748 -21.634 11.739 1.00 0.00 H new ATOM 0 HG11 VAL A 147 19.274 -23.061 9.781 1.00 0.00 H new ATOM 0 HG12 VAL A 147 20.761 -22.431 10.529 1.00 0.00 H new ATOM 0 HG13 VAL A 147 20.266 -24.116 10.816 1.00 0.00 H new ATOM 0 HG21 VAL A 147 17.277 -23.556 11.195 1.00 0.00 H new ATOM 0 HG22 VAL A 147 18.270 -24.609 12.230 1.00 0.00 H new ATOM 0 HG23 VAL A 147 17.338 -23.277 12.952 1.00 0.00 H new ATOM 346 N LEU A 148 20.202 -25.056 13.679 1.00 0.00 N ATOM 347 CA LEU A 148 20.871 -26.351 13.739 1.00 0.00 C ATOM 348 C LEU A 148 21.006 -26.946 12.341 1.00 0.00 C ATOM 349 O LEU A 148 21.924 -27.721 12.072 1.00 0.00 O ATOM 350 CB LEU A 148 20.073 -27.311 14.629 1.00 0.00 C ATOM 351 CG LEU A 148 20.731 -27.421 16.009 1.00 0.00 C ATOM 352 CD1 LEU A 148 22.080 -28.137 15.894 1.00 0.00 C ATOM 353 CD2 LEU A 148 20.945 -26.018 16.586 1.00 0.00 C ATOM 0 H LEU A 148 19.265 -25.042 14.083 1.00 0.00 H new ATOM 0 HA LEU A 148 21.866 -26.207 14.160 1.00 0.00 H new ATOM 0 HB2 LEU A 148 19.048 -26.955 14.734 1.00 0.00 H new ATOM 0 HB3 LEU A 148 20.023 -28.295 14.162 1.00 0.00 H new ATOM 0 HG LEU A 148 20.080 -27.994 16.669 1.00 0.00 H new ATOM 0 HD11 LEU A 148 22.539 -28.210 16.880 1.00 0.00 H new ATOM 0 HD12 LEU A 148 21.927 -29.138 15.490 1.00 0.00 H new ATOM 0 HD13 LEU A 148 22.735 -27.574 15.230 1.00 0.00 H new ATOM 0 HD21 LEU A 148 21.413 -26.096 17.567 1.00 0.00 H new ATOM 0 HD22 LEU A 148 21.591 -25.445 15.920 1.00 0.00 H new ATOM 0 HD23 LEU A 148 19.984 -25.513 16.681 1.00 0.00 H new ATOM 365 N SER A 149 20.086 -26.578 11.455 1.00 0.00 N ATOM 366 CA SER A 149 20.114 -27.081 10.087 1.00 0.00 C ATOM 367 C SER A 149 21.457 -26.779 9.431 1.00 0.00 C ATOM 368 O SER A 149 21.834 -27.411 8.444 1.00 0.00 O ATOM 369 CB SER A 149 18.990 -26.439 9.272 1.00 0.00 C ATOM 370 OG SER A 149 18.049 -25.845 10.156 1.00 0.00 O ATOM 0 H SER A 149 19.318 -25.938 11.658 1.00 0.00 H new ATOM 0 HA SER A 149 19.972 -28.161 10.115 1.00 0.00 H new ATOM 0 HB2 SER A 149 19.398 -25.686 8.598 1.00 0.00 H new ATOM 0 HB3 SER A 149 18.500 -27.190 8.652 1.00 0.00 H new ATOM 0 HG SER A 149 17.328 -25.431 9.637 1.00 0.00 H new ATOM 376 N ALA A 150 22.175 -25.807 9.985 1.00 0.00 N ATOM 377 CA ALA A 150 23.475 -25.428 9.445 1.00 0.00 C ATOM 378 C ALA A 150 24.478 -26.565 9.616 1.00 0.00 C ATOM 379 O ALA A 150 25.498 -26.615 8.929 1.00 0.00 O ATOM 380 CB ALA A 150 23.994 -24.178 10.159 1.00 0.00 C ATOM 0 H ALA A 150 21.881 -25.271 10.802 1.00 0.00 H new ATOM 0 HA ALA A 150 23.358 -25.217 8.382 1.00 0.00 H new ATOM 0 HB1 ALA A 150 24.966 -23.902 9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 150 23.292 -23.357 10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 150 24.095 -24.383 11.225 1.00 0.00 H new ATOM 386 N LEU A 151 24.180 -27.478 10.535 1.00 0.00 N ATOM 387 CA LEU A 151 25.062 -28.612 10.787 1.00 0.00 C ATOM 388 C LEU A 151 25.039 -29.580 9.609 1.00 0.00 C ATOM 389 O LEU A 151 26.068 -29.836 8.983 1.00 0.00 O ATOM 390 CB LEU A 151 24.626 -29.341 12.058 1.00 0.00 C ATOM 391 CG LEU A 151 25.737 -30.289 12.510 1.00 0.00 C ATOM 392 CD1 LEU A 151 26.666 -29.561 13.483 1.00 0.00 C ATOM 393 CD2 LEU A 151 25.118 -31.502 13.210 1.00 0.00 C ATOM 0 H LEU A 151 23.341 -27.456 11.114 1.00 0.00 H new ATOM 0 HA LEU A 151 26.077 -28.237 10.915 1.00 0.00 H new ATOM 0 HB2 LEU A 151 24.406 -28.620 12.846 1.00 0.00 H new ATOM 0 HB3 LEU A 151 23.709 -29.901 11.872 1.00 0.00 H new ATOM 0 HG LEU A 151 26.307 -30.620 11.642 1.00 0.00 H new ATOM 0 HD11 LEU A 151 27.458 -30.237 13.805 1.00 0.00 H new ATOM 0 HD12 LEU A 151 27.107 -28.696 12.987 1.00 0.00 H new ATOM 0 HD13 LEU A 151 26.096 -29.230 14.351 1.00 0.00 H new ATOM 0 HD21 LEU A 151 25.909 -32.179 13.533 1.00 0.00 H new ATOM 0 HD22 LEU A 151 24.548 -31.170 14.078 1.00 0.00 H new ATOM 0 HD23 LEU A 151 24.455 -32.022 12.518 1.00 0.00 H new ATOM 405 N ILE A 152 23.859 -30.116 9.312 1.00 0.00 N ATOM 406 CA ILE A 152 23.715 -31.056 8.207 1.00 0.00 C ATOM 407 C ILE A 152 23.849 -30.335 6.869 1.00 0.00 C ATOM 408 O ILE A 152 24.793 -30.574 6.116 1.00 0.00 O ATOM 409 CB ILE A 152 22.351 -31.744 8.282 1.00 0.00 C ATOM 410 CG1 ILE A 152 22.223 -32.475 9.621 1.00 0.00 C ATOM 411 CG2 ILE A 152 22.223 -32.752 7.140 1.00 0.00 C ATOM 412 CD1 ILE A 152 20.767 -32.885 9.843 1.00 0.00 C ATOM 0 H ILE A 152 22.995 -29.917 9.817 1.00 0.00 H new ATOM 0 HA ILE A 152 24.505 -31.803 8.285 1.00 0.00 H new ATOM 0 HB ILE A 152 21.563 -30.996 8.197 1.00 0.00 H new ATOM 0 HG12 ILE A 152 22.865 -33.356 9.629 1.00 0.00 H new ATOM 0 HG13 ILE A 152 22.558 -31.829 10.433 1.00 0.00 H new ATOM 0 HG21 ILE A 152 21.251 -33.242 7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 152 22.316 -32.234 6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 152 23.011 -33.500 7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 152 20.677 -33.405 10.797 1.00 0.00 H new ATOM 0 HD12 ILE A 152 20.136 -31.996 9.854 1.00 0.00 H new ATOM 0 HD13 ILE A 152 20.448 -33.546 9.037 1.00 0.00 H new ATOM 424 N VAL A 153 22.900 -29.451 6.581 1.00 0.00 N ATOM 425 CA VAL A 153 22.922 -28.701 5.331 1.00 0.00 C ATOM 426 C VAL A 153 22.735 -29.637 4.140 1.00 0.00 C ATOM 427 O VAL A 153 21.930 -30.566 4.189 1.00 0.00 O ATOM 428 CB VAL A 153 24.251 -27.956 5.193 1.00 0.00 C ATOM 429 CG1 VAL A 153 24.077 -26.771 4.242 1.00 0.00 C ATOM 430 CG2 VAL A 153 24.693 -27.446 6.566 1.00 0.00 C ATOM 0 H VAL A 153 22.111 -29.237 7.191 1.00 0.00 H new ATOM 0 HA VAL A 153 22.102 -27.983 5.346 1.00 0.00 H new ATOM 0 HB VAL A 153 25.007 -28.633 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 153 25.024 -26.241 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 153 23.761 -27.133 3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 153 23.321 -26.093 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 153 25.640 -26.915 6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 153 23.936 -26.770 6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 153 24.818 -28.290 7.245 1.00 0.00 H new ATOM 440 N GLY A 154 23.485 -29.384 3.073 1.00 0.00 N ATOM 441 CA GLY A 154 23.394 -30.212 1.874 1.00 0.00 C ATOM 442 C GLY A 154 24.491 -29.851 0.880 1.00 0.00 C ATOM 443 O GLY A 154 25.599 -30.382 0.945 1.00 0.00 O ATOM 0 H GLY A 154 24.157 -28.619 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 154 23.476 -31.264 2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 154 22.417 -30.079 1.408 1.00 0.00 H new TER 447 GLY A 154