USER MOD reduce.3.24.130724 H: found=0, std=0, add=230, rem=0, adj=7 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 :FLIP amide:sc= -0.993 F(o=-1.6,f=-0.99) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 140 CYS SG : rot 180:sc= -0.0673 USER MOD Single : A 142 THR OG1 : rot 93:sc= 0.0157 USER MOD Single : A 143 SER OG : rot 76:sc= 0.541 USER MOD Single : A 144 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 149 SER OG : rot 180:sc= 0.199 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 8.263 -31.216 -6.024 1.00 0.00 N ATOM 2 CA LEU A 125 6.823 -31.326 -6.223 1.00 0.00 C ATOM 3 C LEU A 125 6.411 -30.671 -7.537 1.00 0.00 C ATOM 4 O LEU A 125 5.252 -30.746 -7.942 1.00 0.00 O ATOM 5 CB LEU A 125 6.083 -30.656 -5.063 1.00 0.00 C ATOM 6 CG LEU A 125 5.493 -31.729 -4.146 1.00 0.00 C ATOM 7 CD1 LEU A 125 6.616 -32.625 -3.620 1.00 0.00 C ATOM 8 CD2 LEU A 125 4.785 -31.056 -2.968 1.00 0.00 C ATOM 0 HA LEU A 125 6.561 -32.383 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.766 -30.019 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.290 -30.014 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 125 4.778 -32.333 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.196 -33.390 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.123 -33.103 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.331 -32.022 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.364 -31.819 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.501 -30.453 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.985 -30.416 -3.341 1.00 0.00 H new ATOM 20 N PHE A 126 7.368 -30.030 -8.198 1.00 0.00 N ATOM 21 CA PHE A 126 7.094 -29.364 -9.467 1.00 0.00 C ATOM 22 C PHE A 126 5.796 -28.567 -9.386 1.00 0.00 C ATOM 23 O PHE A 126 4.848 -28.827 -10.128 1.00 0.00 O ATOM 24 CB PHE A 126 6.988 -30.402 -10.587 1.00 0.00 C ATOM 25 CG PHE A 126 6.880 -29.697 -11.917 1.00 0.00 C ATOM 26 CD1 PHE A 126 8.008 -29.087 -12.479 1.00 0.00 C ATOM 27 CD2 PHE A 126 5.653 -29.655 -12.589 1.00 0.00 C ATOM 28 CE1 PHE A 126 7.908 -28.433 -13.713 1.00 0.00 C ATOM 29 CE2 PHE A 126 5.554 -29.001 -13.824 1.00 0.00 C ATOM 30 CZ PHE A 126 6.681 -28.390 -14.386 1.00 0.00 C ATOM 0 H PHE A 126 8.334 -29.957 -7.880 1.00 0.00 H new ATOM 0 HA PHE A 126 7.914 -28.679 -9.681 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.862 -31.053 -10.578 1.00 0.00 H new ATOM 0 HB3 PHE A 126 6.116 -31.037 -10.428 1.00 0.00 H new ATOM 0 HD1 PHE A 126 8.955 -29.121 -11.961 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.783 -30.126 -12.156 1.00 0.00 H new ATOM 0 HE1 PHE A 126 8.778 -27.961 -14.146 1.00 0.00 H new ATOM 0 HE2 PHE A 126 4.607 -28.968 -14.343 1.00 0.00 H new ATOM 0 HZ PHE A 126 6.604 -27.886 -15.338 1.00 0.00 H new ATOM 40 N PRO A 127 5.738 -27.607 -8.500 1.00 0.00 N ATOM 41 CA PRO A 127 4.529 -26.753 -8.316 1.00 0.00 C ATOM 42 C PRO A 127 4.364 -25.741 -9.448 1.00 0.00 C ATOM 43 O PRO A 127 5.312 -25.046 -9.816 1.00 0.00 O ATOM 44 CB PRO A 127 4.786 -26.046 -6.985 1.00 0.00 C ATOM 45 CG PRO A 127 6.272 -26.015 -6.831 1.00 0.00 C ATOM 46 CD PRO A 127 6.821 -27.235 -7.575 1.00 0.00 C ATOM 0 HA PRO A 127 3.609 -27.337 -8.322 1.00 0.00 H new ATOM 0 HB2 PRO A 127 4.371 -25.038 -6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 127 4.317 -26.581 -6.159 1.00 0.00 H new ATOM 0 HG2 PRO A 127 6.684 -25.094 -7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 127 6.552 -26.046 -5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 127 7.739 -26.995 -8.112 1.00 0.00 H new ATOM 0 HD3 PRO A 127 7.056 -28.048 -6.888 1.00 0.00 H new ATOM 54 N GLN A 128 3.154 -25.666 -9.993 1.00 0.00 N ATOM 55 CA GLN A 128 2.876 -24.736 -11.082 1.00 0.00 C ATOM 56 C GLN A 128 3.059 -23.295 -10.615 1.00 0.00 C ATOM 57 O GLN A 128 3.642 -22.472 -11.323 1.00 0.00 O ATOM 58 CB GLN A 128 1.445 -24.934 -11.584 1.00 0.00 C ATOM 59 CG GLN A 128 1.421 -26.046 -12.634 1.00 0.00 C ATOM 60 CD GLN A 128 2.061 -27.310 -12.070 1.00 0.00 C ATOM 61 OE1 GLN A 128 3.357 -27.454 -12.122 1.00 0.00 O flip ATOM 62 NE2 GLN A 128 1.361 -28.188 -11.566 1.00 0.00 N flip ATOM 0 H GLN A 128 2.357 -26.232 -9.702 1.00 0.00 H new ATOM 0 HA GLN A 128 3.576 -24.935 -11.893 1.00 0.00 H new ATOM 0 HB2 GLN A 128 0.789 -25.191 -10.752 1.00 0.00 H new ATOM 0 HB3 GLN A 128 1.067 -24.006 -12.013 1.00 0.00 H new ATOM 0 HG2 GLN A 128 0.394 -26.252 -12.934 1.00 0.00 H new ATOM 0 HG3 GLN A 128 1.956 -25.725 -13.528 1.00 0.00 H new ATOM 0 HE21 GLN A 128 0.348 -28.073 -11.527 1.00 0.00 H new ATOM 0 HE22 GLN A 128 1.794 -29.031 -11.188 1.00 0.00 H new ATOM 71 N ILE A 129 2.557 -22.996 -9.422 1.00 0.00 N ATOM 72 CA ILE A 129 2.671 -21.650 -8.871 1.00 0.00 C ATOM 73 C ILE A 129 4.129 -21.209 -8.833 1.00 0.00 C ATOM 74 O ILE A 129 4.879 -21.584 -7.932 1.00 0.00 O ATOM 75 CB ILE A 129 2.087 -21.614 -7.458 1.00 0.00 C ATOM 76 CG1 ILE A 129 0.635 -22.097 -7.493 1.00 0.00 C ATOM 77 CG2 ILE A 129 2.134 -20.182 -6.923 1.00 0.00 C ATOM 78 CD1 ILE A 129 0.458 -23.258 -6.514 1.00 0.00 C ATOM 0 H ILE A 129 2.071 -23.662 -8.821 1.00 0.00 H new ATOM 0 HA ILE A 129 2.114 -20.966 -9.512 1.00 0.00 H new ATOM 0 HB ILE A 129 2.671 -22.265 -6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -0.037 -21.280 -7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 129 0.371 -22.415 -8.502 1.00 0.00 H new ATOM 0 HG21 ILE A 129 1.718 -20.156 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 129 3.168 -19.837 -6.898 1.00 0.00 H new ATOM 0 HG23 ILE A 129 1.550 -19.531 -7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -0.576 -23.601 -6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 129 1.119 -24.077 -6.797 1.00 0.00 H new ATOM 0 HD13 ILE A 129 0.705 -22.925 -5.506 1.00 0.00 H new ATOM 90 N ASN A 130 4.527 -20.410 -9.818 1.00 0.00 N ATOM 91 CA ASN A 130 5.899 -19.923 -9.887 1.00 0.00 C ATOM 92 C ASN A 130 6.180 -18.947 -8.748 1.00 0.00 C ATOM 93 O ASN A 130 7.331 -18.743 -8.362 1.00 0.00 O ATOM 94 CB ASN A 130 6.139 -19.226 -11.228 1.00 0.00 C ATOM 95 CG ASN A 130 6.338 -20.265 -12.326 1.00 0.00 C ATOM 96 OD1 ASN A 130 7.386 -20.907 -12.392 1.00 0.00 O ATOM 97 ND2 ASN A 130 5.389 -20.468 -13.198 1.00 0.00 N ATOM 0 H ASN A 130 3.923 -20.088 -10.574 1.00 0.00 H new ATOM 0 HA ASN A 130 6.572 -20.776 -9.794 1.00 0.00 H new ATOM 0 HB2 ASN A 130 5.291 -18.585 -11.471 1.00 0.00 H new ATOM 0 HB3 ASN A 130 7.016 -18.583 -11.161 1.00 0.00 H new ATOM 0 HD21 ASN A 130 5.515 -21.160 -13.937 1.00 0.00 H new ATOM 0 HD22 ASN A 130 4.521 -19.935 -13.141 1.00 0.00 H new ATOM 104 N PHE A 131 5.120 -18.348 -8.214 1.00 0.00 N ATOM 105 CA PHE A 131 5.264 -17.398 -7.119 1.00 0.00 C ATOM 106 C PHE A 131 5.893 -18.070 -5.903 1.00 0.00 C ATOM 107 O PHE A 131 6.614 -17.435 -5.133 1.00 0.00 O ATOM 108 CB PHE A 131 3.897 -16.826 -6.738 1.00 0.00 C ATOM 109 CG PHE A 131 4.084 -15.565 -5.932 1.00 0.00 C ATOM 110 CD1 PHE A 131 4.321 -14.347 -6.581 1.00 0.00 C ATOM 111 CD2 PHE A 131 4.021 -15.611 -4.534 1.00 0.00 C ATOM 112 CE1 PHE A 131 4.494 -13.177 -5.833 1.00 0.00 C ATOM 113 CE2 PHE A 131 4.195 -14.440 -3.786 1.00 0.00 C ATOM 114 CZ PHE A 131 4.431 -13.222 -4.435 1.00 0.00 C ATOM 0 H PHE A 131 4.159 -18.503 -8.520 1.00 0.00 H new ATOM 0 HA PHE A 131 5.916 -16.590 -7.450 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.317 -16.613 -7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.333 -17.559 -6.161 1.00 0.00 H new ATOM 0 HD1 PHE A 131 4.370 -14.311 -7.659 1.00 0.00 H new ATOM 0 HD2 PHE A 131 3.838 -16.550 -4.032 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.676 -12.238 -6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 131 4.147 -14.476 -2.708 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.564 -12.319 -3.858 1.00 0.00 H new ATOM 124 N LEU A 132 5.616 -19.359 -5.736 1.00 0.00 N ATOM 125 CA LEU A 132 6.161 -20.109 -4.611 1.00 0.00 C ATOM 126 C LEU A 132 7.685 -20.141 -4.676 1.00 0.00 C ATOM 127 O LEU A 132 8.356 -20.281 -3.653 1.00 0.00 O ATOM 128 CB LEU A 132 5.617 -21.539 -4.622 1.00 0.00 C ATOM 129 CG LEU A 132 4.973 -21.852 -3.272 1.00 0.00 C ATOM 130 CD1 LEU A 132 3.715 -20.999 -3.094 1.00 0.00 C ATOM 131 CD2 LEU A 132 4.592 -23.334 -3.221 1.00 0.00 C ATOM 0 H LEU A 132 5.021 -19.903 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 132 5.858 -19.614 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 132 4.885 -21.654 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 132 6.423 -22.244 -4.824 1.00 0.00 H new ATOM 0 HG LEU A 132 5.680 -21.628 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 132 3.257 -21.223 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.983 -19.943 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 132 3.008 -21.222 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.133 -23.559 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 132 3.886 -23.556 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.486 -23.944 -3.347 1.00 0.00 H new ATOM 143 N GLY A 133 8.224 -20.012 -5.884 1.00 0.00 N ATOM 144 CA GLY A 133 9.670 -20.029 -6.069 1.00 0.00 C ATOM 145 C GLY A 133 10.311 -18.787 -5.459 1.00 0.00 C ATOM 146 O GLY A 133 11.401 -18.855 -4.890 1.00 0.00 O ATOM 0 H GLY A 133 7.686 -19.895 -6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.089 -20.923 -5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 133 9.904 -20.079 -7.132 1.00 0.00 H new ATOM 150 N SER A 134 9.629 -17.653 -5.583 1.00 0.00 N ATOM 151 CA SER A 134 10.143 -16.401 -5.040 1.00 0.00 C ATOM 152 C SER A 134 10.177 -16.452 -3.516 1.00 0.00 C ATOM 153 O SER A 134 10.989 -15.780 -2.881 1.00 0.00 O ATOM 154 CB SER A 134 9.265 -15.235 -5.495 1.00 0.00 C ATOM 155 OG SER A 134 9.023 -14.373 -4.392 1.00 0.00 O ATOM 0 H SER A 134 8.726 -17.575 -6.051 1.00 0.00 H new ATOM 0 HA SER A 134 11.158 -16.256 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 134 9.756 -14.687 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.322 -15.609 -5.894 1.00 0.00 H new ATOM 0 HG SER A 134 8.462 -13.623 -4.680 1.00 0.00 H new ATOM 161 N LEU A 135 9.288 -17.252 -2.936 1.00 0.00 N ATOM 162 CA LEU A 135 9.224 -17.383 -1.485 1.00 0.00 C ATOM 163 C LEU A 135 10.493 -18.040 -0.950 1.00 0.00 C ATOM 164 O LEU A 135 10.826 -17.902 0.226 1.00 0.00 O ATOM 165 CB LEU A 135 8.007 -18.219 -1.088 1.00 0.00 C ATOM 166 CG LEU A 135 6.938 -17.309 -0.480 1.00 0.00 C ATOM 167 CD1 LEU A 135 6.552 -16.228 -1.492 1.00 0.00 C ATOM 168 CD2 LEU A 135 5.703 -18.141 -0.128 1.00 0.00 C ATOM 0 H LEU A 135 8.607 -17.816 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 135 9.135 -16.386 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.607 -18.735 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.298 -18.986 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 135 7.330 -16.839 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.790 -15.580 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 135 7.431 -15.636 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 135 6.159 -16.697 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.940 -17.494 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.311 -18.610 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.977 -18.912 0.592 1.00 0.00 H new ATOM 180 N LEU A 136 11.193 -18.758 -1.823 1.00 0.00 N ATOM 181 CA LEU A 136 12.423 -19.433 -1.425 1.00 0.00 C ATOM 182 C LEU A 136 13.487 -18.418 -1.022 1.00 0.00 C ATOM 183 O LEU A 136 13.992 -18.448 0.100 1.00 0.00 O ATOM 184 CB LEU A 136 12.946 -20.289 -2.583 1.00 0.00 C ATOM 185 CG LEU A 136 13.680 -21.509 -2.024 1.00 0.00 C ATOM 186 CD1 LEU A 136 14.251 -22.333 -3.180 1.00 0.00 C ATOM 187 CD2 LEU A 136 14.822 -21.044 -1.118 1.00 0.00 C ATOM 0 H LEU A 136 10.933 -18.887 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 136 12.204 -20.071 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 136 12.118 -20.608 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 136 13.618 -19.702 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 136 12.985 -22.121 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 136 14.774 -23.203 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 136 13.439 -22.663 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 136 14.947 -21.721 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 136 15.346 -21.912 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 136 15.517 -20.433 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 136 14.417 -20.455 -0.295 1.00 0.00 H new ATOM 199 N ILE A 137 13.822 -17.520 -1.943 1.00 0.00 N ATOM 200 CA ILE A 137 14.827 -16.499 -1.670 1.00 0.00 C ATOM 201 C ILE A 137 14.317 -15.510 -0.628 1.00 0.00 C ATOM 202 O ILE A 137 14.904 -15.366 0.445 1.00 0.00 O ATOM 203 CB ILE A 137 15.173 -15.752 -2.959 1.00 0.00 C ATOM 204 CG1 ILE A 137 15.351 -16.758 -4.099 1.00 0.00 C ATOM 205 CG2 ILE A 137 16.473 -14.969 -2.763 1.00 0.00 C ATOM 206 CD1 ILE A 137 15.849 -16.030 -5.349 1.00 0.00 C ATOM 0 H ILE A 137 13.416 -17.478 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 137 15.720 -16.989 -1.282 1.00 0.00 H new ATOM 0 HB ILE A 137 14.367 -15.061 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 137 16.062 -17.531 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.405 -17.257 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 137 16.719 -14.437 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 137 16.347 -14.253 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 137 17.280 -15.659 -2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 137 15.976 -16.746 -6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.122 -15.273 -5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 137 16.805 -15.551 -5.135 1.00 0.00 H new ATOM 218 N ALA A 138 13.221 -14.831 -0.949 1.00 0.00 N ATOM 219 CA ALA A 138 12.640 -13.857 -0.033 1.00 0.00 C ATOM 220 C ALA A 138 12.336 -14.505 1.314 1.00 0.00 C ATOM 221 O ALA A 138 12.260 -13.826 2.338 1.00 0.00 O ATOM 222 CB ALA A 138 11.354 -13.280 -0.627 1.00 0.00 C ATOM 0 H ALA A 138 12.720 -14.936 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 138 13.361 -13.053 0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 138 10.928 -12.554 0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 138 11.579 -12.790 -1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 138 10.638 -14.084 -0.795 1.00 0.00 H new ATOM 228 N GLY A 139 12.160 -15.822 1.305 1.00 0.00 N ATOM 229 CA GLY A 139 11.864 -16.551 2.533 1.00 0.00 C ATOM 230 C GLY A 139 12.883 -16.227 3.620 1.00 0.00 C ATOM 231 O GLY A 139 12.591 -16.333 4.810 1.00 0.00 O ATOM 0 H GLY A 139 12.217 -16.403 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 139 10.863 -16.295 2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 139 11.868 -17.623 2.334 1.00 0.00 H new ATOM 235 N CYS A 140 14.081 -15.831 3.201 1.00 0.00 N ATOM 236 CA CYS A 140 15.137 -15.493 4.148 1.00 0.00 C ATOM 237 C CYS A 140 14.758 -14.254 4.953 1.00 0.00 C ATOM 238 O CYS A 140 15.306 -14.009 6.028 1.00 0.00 O ATOM 239 CB CYS A 140 16.447 -15.238 3.400 1.00 0.00 C ATOM 240 SG CYS A 140 16.631 -13.464 3.095 1.00 0.00 S ATOM 0 H CYS A 140 14.343 -15.737 2.220 1.00 0.00 H new ATOM 0 HA CYS A 140 15.268 -16.331 4.833 1.00 0.00 H new ATOM 0 HB2 CYS A 140 17.290 -15.607 3.985 1.00 0.00 H new ATOM 0 HB3 CYS A 140 16.451 -15.783 2.456 1.00 0.00 H new ATOM 0 HG CYS A 140 17.745 -13.246 2.461 1.00 0.00 H new ATOM 246 N ILE A 141 13.819 -13.477 4.425 1.00 0.00 N ATOM 247 CA ILE A 141 13.374 -12.264 5.104 1.00 0.00 C ATOM 248 C ILE A 141 12.707 -12.607 6.432 1.00 0.00 C ATOM 249 O ILE A 141 12.647 -11.778 7.340 1.00 0.00 O ATOM 250 CB ILE A 141 12.388 -11.501 4.218 1.00 0.00 C ATOM 251 CG1 ILE A 141 12.315 -10.044 4.677 1.00 0.00 C ATOM 252 CG2 ILE A 141 11.003 -12.140 4.329 1.00 0.00 C ATOM 253 CD1 ILE A 141 13.256 -9.191 3.825 1.00 0.00 C ATOM 0 H ILE A 141 13.354 -13.662 3.536 1.00 0.00 H new ATOM 0 HA ILE A 141 14.246 -11.639 5.299 1.00 0.00 H new ATOM 0 HB ILE A 141 12.724 -11.540 3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 141 11.293 -9.675 4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 141 12.591 -9.969 5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 141 10.300 -11.597 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 141 11.055 -13.179 4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 141 10.666 -12.100 5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 141 13.203 -8.153 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 141 14.277 -9.555 3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 141 12.959 -9.256 2.778 1.00 0.00 H new ATOM 265 N THR A 142 12.208 -13.833 6.539 1.00 0.00 N ATOM 266 CA THR A 142 11.548 -14.275 7.762 1.00 0.00 C ATOM 267 C THR A 142 12.514 -14.225 8.941 1.00 0.00 C ATOM 268 O THR A 142 12.340 -13.427 9.864 1.00 0.00 O ATOM 269 CB THR A 142 11.028 -15.705 7.587 1.00 0.00 C ATOM 270 OG1 THR A 142 10.044 -15.727 6.562 1.00 0.00 O ATOM 271 CG2 THR A 142 10.412 -16.189 8.901 1.00 0.00 C ATOM 0 H THR A 142 12.247 -14.534 5.799 1.00 0.00 H new ATOM 0 HA THR A 142 10.712 -13.605 7.963 1.00 0.00 H new ATOM 0 HB THR A 142 11.853 -16.362 7.312 1.00 0.00 H new ATOM 0 HG1 THR A 142 10.468 -15.944 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 142 10.042 -17.207 8.776 1.00 0.00 H new ATOM 0 HG22 THR A 142 11.168 -16.172 9.686 1.00 0.00 H new ATOM 0 HG23 THR A 142 9.586 -15.534 9.179 1.00 0.00 H new ATOM 279 N SER A 143 13.531 -15.079 8.905 1.00 0.00 N ATOM 280 CA SER A 143 14.519 -15.122 9.977 1.00 0.00 C ATOM 281 C SER A 143 13.838 -15.027 11.338 1.00 0.00 C ATOM 282 O SER A 143 13.845 -13.973 11.975 1.00 0.00 O ATOM 283 CB SER A 143 15.511 -13.968 9.819 1.00 0.00 C ATOM 284 OG SER A 143 16.418 -14.271 8.767 1.00 0.00 O ATOM 0 H SER A 143 13.693 -15.747 8.151 1.00 0.00 H new ATOM 0 HA SER A 143 15.052 -16.071 9.916 1.00 0.00 H new ATOM 0 HB2 SER A 143 14.978 -13.042 9.601 1.00 0.00 H new ATOM 0 HB3 SER A 143 16.055 -13.811 10.750 1.00 0.00 H new ATOM 0 HG SER A 143 15.972 -14.144 7.904 1.00 0.00 H new ATOM 290 N THR A 144 13.249 -16.134 11.777 1.00 0.00 N ATOM 291 CA THR A 144 12.566 -16.164 13.066 1.00 0.00 C ATOM 292 C THR A 144 12.873 -17.462 13.805 1.00 0.00 C ATOM 293 O THR A 144 12.901 -17.495 15.035 1.00 0.00 O ATOM 294 CB THR A 144 11.055 -16.038 12.858 1.00 0.00 C ATOM 295 OG1 THR A 144 10.802 -15.279 11.684 1.00 0.00 O ATOM 296 CG2 THR A 144 10.429 -15.339 14.065 1.00 0.00 C ATOM 0 H THR A 144 13.230 -17.016 11.265 1.00 0.00 H new ATOM 0 HA THR A 144 12.922 -15.326 13.665 1.00 0.00 H new ATOM 0 HB THR A 144 10.618 -17.031 12.750 1.00 0.00 H new ATOM 0 HG1 THR A 144 9.835 -15.199 11.549 1.00 0.00 H new ATOM 0 HG21 THR A 144 9.353 -15.250 13.916 1.00 0.00 H new ATOM 0 HG22 THR A 144 10.624 -15.923 14.965 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.864 -14.346 14.176 1.00 0.00 H new ATOM 304 N ASP A 145 13.103 -18.529 13.047 1.00 0.00 N ATOM 305 CA ASP A 145 13.407 -19.825 13.643 1.00 0.00 C ATOM 306 C ASP A 145 14.399 -20.595 12.775 1.00 0.00 C ATOM 307 O ASP A 145 14.097 -21.686 12.289 1.00 0.00 O ATOM 308 CB ASP A 145 12.123 -20.642 13.798 1.00 0.00 C ATOM 309 CG ASP A 145 12.412 -21.923 14.573 1.00 0.00 C ATOM 310 OD1 ASP A 145 13.425 -21.969 15.250 1.00 0.00 O1- ATOM 311 OD2 ASP A 145 11.613 -22.841 14.479 1.00 0.00 O ATOM 0 H ASP A 145 13.085 -18.523 12.027 1.00 0.00 H new ATOM 0 HA ASP A 145 13.852 -19.657 14.624 1.00 0.00 H new ATOM 0 HB2 ASP A 145 11.368 -20.054 14.320 1.00 0.00 H new ATOM 0 HB3 ASP A 145 11.716 -20.885 12.817 1.00 0.00 H new ATOM 316 N PRO A 146 15.568 -20.049 12.573 1.00 0.00 N ATOM 317 CA PRO A 146 16.627 -20.694 11.747 1.00 0.00 C ATOM 318 C PRO A 146 17.280 -21.872 12.465 1.00 0.00 C ATOM 319 O PRO A 146 18.388 -22.285 12.121 1.00 0.00 O ATOM 320 CB PRO A 146 17.637 -19.570 11.511 1.00 0.00 C ATOM 321 CG PRO A 146 17.464 -18.633 12.660 1.00 0.00 C ATOM 322 CD PRO A 146 16.008 -18.752 13.115 1.00 0.00 C ATOM 0 HA PRO A 146 16.227 -21.114 10.824 1.00 0.00 H new ATOM 0 HB2 PRO A 146 18.655 -19.958 11.471 1.00 0.00 H new ATOM 0 HB3 PRO A 146 17.450 -19.067 10.562 1.00 0.00 H new ATOM 0 HG2 PRO A 146 18.145 -18.888 13.472 1.00 0.00 H new ATOM 0 HG3 PRO A 146 17.693 -17.610 12.362 1.00 0.00 H new ATOM 0 HD2 PRO A 146 15.926 -18.726 14.202 1.00 0.00 H new ATOM 0 HD3 PRO A 146 15.402 -17.932 12.730 1.00 0.00 H new ATOM 330 N VAL A 147 16.587 -22.407 13.464 1.00 0.00 N ATOM 331 CA VAL A 147 17.109 -23.537 14.223 1.00 0.00 C ATOM 332 C VAL A 147 16.958 -24.831 13.431 1.00 0.00 C ATOM 333 O VAL A 147 16.471 -25.835 13.951 1.00 0.00 O ATOM 334 CB VAL A 147 16.364 -23.661 15.554 1.00 0.00 C ATOM 335 CG1 VAL A 147 16.921 -24.846 16.343 1.00 0.00 C ATOM 336 CG2 VAL A 147 16.552 -22.376 16.364 1.00 0.00 C ATOM 0 H VAL A 147 15.669 -22.079 13.765 1.00 0.00 H new ATOM 0 HA VAL A 147 18.168 -23.363 14.414 1.00 0.00 H new ATOM 0 HB VAL A 147 15.303 -23.819 15.363 1.00 0.00 H new ATOM 0 HG11 VAL A 147 16.390 -24.934 17.291 1.00 0.00 H new ATOM 0 HG12 VAL A 147 16.788 -25.762 15.767 1.00 0.00 H new ATOM 0 HG13 VAL A 147 17.982 -24.689 16.535 1.00 0.00 H new ATOM 0 HG21 VAL A 147 16.022 -22.463 17.312 1.00 0.00 H new ATOM 0 HG22 VAL A 147 17.614 -22.218 16.555 1.00 0.00 H new ATOM 0 HG23 VAL A 147 16.155 -21.530 15.802 1.00 0.00 H new ATOM 346 N LEU A 148 17.377 -24.801 12.171 1.00 0.00 N ATOM 347 CA LEU A 148 17.283 -25.978 11.316 1.00 0.00 C ATOM 348 C LEU A 148 18.255 -27.058 11.782 1.00 0.00 C ATOM 349 O LEU A 148 18.091 -28.234 11.460 1.00 0.00 O ATOM 350 CB LEU A 148 17.597 -25.598 9.867 1.00 0.00 C ATOM 351 CG LEU A 148 16.551 -24.603 9.362 1.00 0.00 C ATOM 352 CD1 LEU A 148 17.236 -23.515 8.534 1.00 0.00 C ATOM 353 CD2 LEU A 148 15.530 -25.338 8.491 1.00 0.00 C ATOM 0 H LEU A 148 17.783 -23.980 11.721 1.00 0.00 H new ATOM 0 HA LEU A 148 16.267 -26.368 11.377 1.00 0.00 H new ATOM 0 HB2 LEU A 148 18.593 -25.159 9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 148 17.600 -26.489 9.239 1.00 0.00 H new ATOM 0 HG LEU A 148 16.045 -24.146 10.212 1.00 0.00 H new ATOM 0 HD11 LEU A 148 16.489 -22.807 8.175 1.00 0.00 H new ATOM 0 HD12 LEU A 148 17.965 -22.991 9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 148 17.743 -23.970 7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 148 14.783 -24.631 8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 148 16.038 -25.795 7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 148 15.040 -26.113 9.080 1.00 0.00 H new ATOM 365 N SER A 149 19.266 -26.649 12.541 1.00 0.00 N ATOM 366 CA SER A 149 20.258 -27.591 13.046 1.00 0.00 C ATOM 367 C SER A 149 19.584 -28.709 13.833 1.00 0.00 C ATOM 368 O SER A 149 20.017 -29.862 13.790 1.00 0.00 O ATOM 369 CB SER A 149 21.258 -26.864 13.944 1.00 0.00 C ATOM 370 OG SER A 149 20.987 -25.468 13.917 1.00 0.00 O ATOM 0 H SER A 149 19.420 -25.680 12.818 1.00 0.00 H new ATOM 0 HA SER A 149 20.783 -28.027 12.196 1.00 0.00 H new ATOM 0 HB2 SER A 149 21.188 -27.240 14.965 1.00 0.00 H new ATOM 0 HB3 SER A 149 22.276 -27.055 13.603 1.00 0.00 H new ATOM 0 HG SER A 149 21.626 -24.999 14.494 1.00 0.00 H new ATOM 376 N ALA A 150 18.521 -28.362 14.552 1.00 0.00 N ATOM 377 CA ALA A 150 17.793 -29.347 15.345 1.00 0.00 C ATOM 378 C ALA A 150 17.121 -30.373 14.440 1.00 0.00 C ATOM 379 O ALA A 150 16.776 -31.470 14.878 1.00 0.00 O ATOM 380 CB ALA A 150 16.736 -28.648 16.202 1.00 0.00 C ATOM 0 H ALA A 150 18.147 -27.414 14.602 1.00 0.00 H new ATOM 0 HA ALA A 150 18.503 -29.862 15.992 1.00 0.00 H new ATOM 0 HB1 ALA A 150 16.197 -29.390 16.791 1.00 0.00 H new ATOM 0 HB2 ALA A 150 17.222 -27.937 16.870 1.00 0.00 H new ATOM 0 HB3 ALA A 150 16.036 -28.119 15.556 1.00 0.00 H new ATOM 386 N LEU A 151 16.936 -30.010 13.175 1.00 0.00 N ATOM 387 CA LEU A 151 16.303 -30.907 12.216 1.00 0.00 C ATOM 388 C LEU A 151 17.220 -32.083 11.897 1.00 0.00 C ATOM 389 O LEU A 151 16.851 -33.241 12.088 1.00 0.00 O ATOM 390 CB LEU A 151 15.973 -30.149 10.930 1.00 0.00 C ATOM 391 CG LEU A 151 14.723 -30.751 10.289 1.00 0.00 C ATOM 392 CD1 LEU A 151 14.425 -30.030 8.972 1.00 0.00 C ATOM 393 CD2 LEU A 151 14.957 -32.237 10.012 1.00 0.00 C ATOM 0 H LEU A 151 17.214 -29.106 12.792 1.00 0.00 H new ATOM 0 HA LEU A 151 15.382 -31.289 12.657 1.00 0.00 H new ATOM 0 HB2 LEU A 151 15.810 -29.094 11.149 1.00 0.00 H new ATOM 0 HB3 LEU A 151 16.813 -30.205 10.237 1.00 0.00 H new ATOM 0 HG LEU A 151 13.877 -30.635 10.967 1.00 0.00 H new ATOM 0 HD11 LEU A 151 13.533 -30.460 8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 151 14.258 -28.971 9.167 1.00 0.00 H new ATOM 0 HD13 LEU A 151 15.271 -30.145 8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 151 14.066 -32.667 9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 151 15.803 -32.352 9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 151 15.169 -32.753 10.949 1.00 0.00 H new ATOM 405 N ILE A 152 18.418 -31.776 11.410 1.00 0.00 N ATOM 406 CA ILE A 152 19.382 -32.815 11.065 1.00 0.00 C ATOM 407 C ILE A 152 19.938 -33.469 12.327 1.00 0.00 C ATOM 408 O ILE A 152 20.141 -34.682 12.371 1.00 0.00 O ATOM 409 CB ILE A 152 20.529 -32.216 10.251 1.00 0.00 C ATOM 410 CG1 ILE A 152 19.958 -31.307 9.160 1.00 0.00 C ATOM 411 CG2 ILE A 152 21.337 -33.342 9.602 1.00 0.00 C ATOM 412 CD1 ILE A 152 21.100 -30.751 8.308 1.00 0.00 C ATOM 0 H ILE A 152 18.743 -30.823 11.246 1.00 0.00 H new ATOM 0 HA ILE A 152 18.873 -33.573 10.469 1.00 0.00 H new ATOM 0 HB ILE A 152 21.176 -31.636 10.908 1.00 0.00 H new ATOM 0 HG12 ILE A 152 19.262 -31.866 8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 152 19.395 -30.489 9.611 1.00 0.00 H new ATOM 0 HG21 ILE A 152 22.155 -32.915 9.022 1.00 0.00 H new ATOM 0 HG22 ILE A 152 21.743 -33.992 10.377 1.00 0.00 H new ATOM 0 HG23 ILE A 152 20.690 -33.922 8.944 1.00 0.00 H new ATOM 0 HD11 ILE A 152 20.693 -30.104 7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 152 21.779 -30.177 8.939 1.00 0.00 H new ATOM 0 HD13 ILE A 152 21.643 -31.575 7.846 1.00 0.00 H new ATOM 424 N VAL A 153 20.181 -32.656 13.350 1.00 0.00 N ATOM 425 CA VAL A 153 20.713 -33.166 14.608 1.00 0.00 C ATOM 426 C VAL A 153 19.676 -34.031 15.319 1.00 0.00 C ATOM 427 O VAL A 153 18.482 -33.734 15.288 1.00 0.00 O ATOM 428 CB VAL A 153 21.117 -32.003 15.514 1.00 0.00 C ATOM 429 CG1 VAL A 153 21.518 -32.542 16.889 1.00 0.00 C ATOM 430 CG2 VAL A 153 22.302 -31.262 14.891 1.00 0.00 C ATOM 0 H VAL A 153 20.019 -31.649 13.333 1.00 0.00 H new ATOM 0 HA VAL A 153 21.589 -33.777 14.388 1.00 0.00 H new ATOM 0 HB VAL A 153 20.276 -31.318 15.624 1.00 0.00 H new ATOM 0 HG11 VAL A 153 21.806 -31.713 17.535 1.00 0.00 H new ATOM 0 HG12 VAL A 153 20.675 -33.071 17.332 1.00 0.00 H new ATOM 0 HG13 VAL A 153 22.359 -33.226 16.780 1.00 0.00 H new ATOM 0 HG21 VAL A 153 22.592 -30.432 15.536 1.00 0.00 H new ATOM 0 HG22 VAL A 153 23.143 -31.947 14.782 1.00 0.00 H new ATOM 0 HG23 VAL A 153 22.017 -30.878 13.911 1.00 0.00 H new ATOM 440 N GLY A 154 20.141 -35.101 15.955 1.00 0.00 N ATOM 441 CA GLY A 154 19.244 -36.001 16.670 1.00 0.00 C ATOM 442 C GLY A 154 20.030 -37.022 17.484 1.00 0.00 C ATOM 443 O GLY A 154 21.190 -36.794 17.829 1.00 0.00 O ATOM 0 H GLY A 154 21.126 -35.365 15.990 1.00 0.00 H new ATOM 0 HA2 GLY A 154 18.596 -35.425 17.331 1.00 0.00 H new ATOM 0 HA3 GLY A 154 18.598 -36.517 15.959 1.00 0.00 H new TER 447 GLY A 154