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= -0.0509 X(o=-0.051,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 140 CYS SG : rot 180:sc= 0 USER MOD Single : A 142 THR OG1 : rot 14:sc= 0.407 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot -80:sc= -0.188 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 2.893 -30.946 -3.369 1.00 0.00 N ATOM 2 CA LEU A 125 3.526 -30.211 -2.282 1.00 0.00 C ATOM 3 C LEU A 125 4.959 -29.839 -2.649 1.00 0.00 C ATOM 4 O LEU A 125 5.870 -29.954 -1.829 1.00 0.00 O ATOM 5 CB LEU A 125 3.526 -31.058 -1.009 1.00 0.00 C ATOM 6 CG LEU A 125 3.654 -30.146 0.212 1.00 0.00 C ATOM 7 CD1 LEU A 125 2.262 -29.712 0.673 1.00 0.00 C ATOM 8 CD2 LEU A 125 4.351 -30.906 1.344 1.00 0.00 C ATOM 0 HA LEU A 125 2.959 -29.296 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 125 2.606 -31.640 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.352 -31.769 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 125 4.240 -29.266 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.353 -29.062 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.764 -29.172 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.675 -30.592 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.443 -30.257 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.764 -31.786 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.343 -31.217 1.017 1.00 0.00 H new ATOM 20 N PHE A 126 5.151 -29.392 -3.886 1.00 0.00 N ATOM 21 CA PHE A 126 6.478 -29.006 -4.351 1.00 0.00 C ATOM 22 C PHE A 126 6.377 -28.141 -5.603 1.00 0.00 C ATOM 23 O PHE A 126 6.780 -28.553 -6.691 1.00 0.00 O ATOM 24 CB PHE A 126 7.308 -30.254 -4.657 1.00 0.00 C ATOM 25 CG PHE A 126 8.719 -29.849 -5.008 1.00 0.00 C ATOM 26 CD1 PHE A 126 9.602 -29.442 -4.000 1.00 0.00 C ATOM 27 CD2 PHE A 126 9.144 -29.876 -6.342 1.00 0.00 C ATOM 28 CE1 PHE A 126 10.910 -29.066 -4.326 1.00 0.00 C ATOM 29 CE2 PHE A 126 10.453 -29.499 -6.667 1.00 0.00 C ATOM 30 CZ PHE A 126 11.336 -29.094 -5.658 1.00 0.00 C ATOM 0 H PHE A 126 4.410 -29.289 -4.580 1.00 0.00 H new ATOM 0 HA PHE A 126 6.964 -28.430 -3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.314 -30.920 -3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 126 6.861 -30.807 -5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 126 9.274 -29.418 -2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 126 8.463 -30.187 -7.120 1.00 0.00 H new ATOM 0 HE1 PHE A 126 11.591 -28.754 -3.548 1.00 0.00 H new ATOM 0 HE2 PHE A 126 10.782 -29.521 -7.696 1.00 0.00 H new ATOM 0 HZ PHE A 126 12.346 -28.803 -5.908 1.00 0.00 H new ATOM 40 N PRO A 127 5.847 -26.956 -5.463 1.00 0.00 N ATOM 41 CA PRO A 127 5.684 -26.004 -6.600 1.00 0.00 C ATOM 42 C PRO A 127 6.961 -25.873 -7.426 1.00 0.00 C ATOM 43 O PRO A 127 7.962 -25.330 -6.958 1.00 0.00 O ATOM 44 CB PRO A 127 5.336 -24.680 -5.917 1.00 0.00 C ATOM 45 CG PRO A 127 4.727 -25.056 -4.607 1.00 0.00 C ATOM 46 CD PRO A 127 5.344 -26.396 -4.200 1.00 0.00 C ATOM 0 HA PRO A 127 4.923 -26.336 -7.307 1.00 0.00 H new ATOM 0 HB2 PRO A 127 6.225 -24.066 -5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 127 4.640 -24.098 -6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 127 4.928 -24.294 -3.854 1.00 0.00 H new ATOM 0 HG3 PRO A 127 3.644 -25.140 -4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 127 6.147 -26.262 -3.475 1.00 0.00 H new ATOM 0 HD3 PRO A 127 4.605 -27.052 -3.739 1.00 0.00 H new ATOM 54 N GLN A 128 6.919 -26.374 -8.656 1.00 0.00 N ATOM 55 CA GLN A 128 8.078 -26.307 -9.539 1.00 0.00 C ATOM 56 C GLN A 128 8.118 -24.968 -10.268 1.00 0.00 C ATOM 57 O GLN A 128 9.165 -24.551 -10.764 1.00 0.00 O ATOM 58 CB GLN A 128 8.024 -27.444 -10.560 1.00 0.00 C ATOM 59 CG GLN A 128 9.427 -28.023 -10.755 1.00 0.00 C ATOM 60 CD GLN A 128 9.434 -28.987 -11.935 1.00 0.00 C ATOM 61 OE1 GLN A 128 10.001 -28.683 -12.984 1.00 0.00 O ATOM 62 NE2 GLN A 128 8.833 -30.141 -11.827 1.00 0.00 N ATOM 0 H GLN A 128 6.101 -26.828 -9.062 1.00 0.00 H new ATOM 0 HA GLN A 128 8.979 -26.406 -8.933 1.00 0.00 H new ATOM 0 HB2 GLN A 128 7.342 -28.222 -10.217 1.00 0.00 H new ATOM 0 HB3 GLN A 128 7.636 -27.076 -11.510 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.141 -27.218 -10.929 1.00 0.00 H new ATOM 0 HG3 GLN A 128 9.745 -28.541 -9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 128 8.363 -30.392 -10.957 1.00 0.00 H new ATOM 0 HE22 GLN A 128 8.833 -30.792 -12.613 1.00 0.00 H new ATOM 71 N ILE A 129 6.972 -24.298 -10.330 1.00 0.00 N ATOM 72 CA ILE A 129 6.888 -23.006 -11.001 1.00 0.00 C ATOM 73 C ILE A 129 7.891 -22.024 -10.403 1.00 0.00 C ATOM 74 O ILE A 129 8.054 -21.955 -9.184 1.00 0.00 O ATOM 75 CB ILE A 129 5.474 -22.439 -10.870 1.00 0.00 C ATOM 76 CG1 ILE A 129 4.884 -22.854 -9.519 1.00 0.00 C ATOM 77 CG2 ILE A 129 4.597 -22.985 -11.998 1.00 0.00 C ATOM 78 CD1 ILE A 129 3.718 -21.929 -9.167 1.00 0.00 C ATOM 0 H ILE A 129 6.094 -24.625 -9.927 1.00 0.00 H new ATOM 0 HA ILE A 129 7.124 -23.150 -12.055 1.00 0.00 H new ATOM 0 HB ILE A 129 5.511 -21.352 -10.934 1.00 0.00 H new ATOM 0 HG12 ILE A 129 4.542 -23.888 -9.562 1.00 0.00 H new ATOM 0 HG13 ILE A 129 5.649 -22.803 -8.745 1.00 0.00 H new ATOM 0 HG21 ILE A 129 3.589 -22.580 -11.904 1.00 0.00 H new ATOM 0 HG22 ILE A 129 5.017 -22.692 -12.960 1.00 0.00 H new ATOM 0 HG23 ILE A 129 4.559 -24.073 -11.935 1.00 0.00 H new ATOM 0 HD11 ILE A 129 3.297 -22.224 -8.206 1.00 0.00 H new ATOM 0 HD12 ILE A 129 4.075 -20.901 -9.107 1.00 0.00 H new ATOM 0 HD13 ILE A 129 2.950 -22.003 -9.937 1.00 0.00 H new ATOM 90 N ASN A 130 8.559 -21.266 -11.266 1.00 0.00 N ATOM 91 CA ASN A 130 9.542 -20.292 -10.810 1.00 0.00 C ATOM 92 C ASN A 130 8.859 -19.148 -10.067 1.00 0.00 C ATOM 93 O ASN A 130 9.495 -18.427 -9.298 1.00 0.00 O ATOM 94 CB ASN A 130 10.318 -19.735 -12.005 1.00 0.00 C ATOM 95 CG ASN A 130 11.508 -20.636 -12.320 1.00 0.00 C ATOM 96 OD1 ASN A 130 11.562 -21.242 -13.391 1.00 0.00 O ATOM 97 ND2 ASN A 130 12.469 -20.762 -11.447 1.00 0.00 N ATOM 0 H ASN A 130 8.439 -21.307 -12.278 1.00 0.00 H new ATOM 0 HA ASN A 130 10.232 -20.791 -10.129 1.00 0.00 H new ATOM 0 HB2 ASN A 130 9.664 -19.666 -12.874 1.00 0.00 H new ATOM 0 HB3 ASN A 130 10.664 -18.725 -11.786 1.00 0.00 H new ATOM 0 HD21 ASN A 130 13.267 -21.363 -11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 130 12.422 -20.259 -10.561 1.00 0.00 H new ATOM 104 N PHE A 131 7.561 -18.988 -10.303 1.00 0.00 N ATOM 105 CA PHE A 131 6.801 -17.929 -9.650 1.00 0.00 C ATOM 106 C PHE A 131 6.829 -18.104 -8.135 1.00 0.00 C ATOM 107 O PHE A 131 7.389 -17.279 -7.414 1.00 0.00 O ATOM 108 CB PHE A 131 5.352 -17.946 -10.141 1.00 0.00 C ATOM 109 CG PHE A 131 4.819 -16.534 -10.185 1.00 0.00 C ATOM 110 CD1 PHE A 131 5.203 -15.671 -11.219 1.00 0.00 C ATOM 111 CD2 PHE A 131 3.939 -16.087 -9.192 1.00 0.00 C ATOM 112 CE1 PHE A 131 4.708 -14.363 -11.260 1.00 0.00 C ATOM 113 CE2 PHE A 131 3.445 -14.778 -9.232 1.00 0.00 C ATOM 114 CZ PHE A 131 3.829 -13.916 -10.266 1.00 0.00 C ATOM 0 H PHE A 131 7.017 -19.573 -10.937 1.00 0.00 H new ATOM 0 HA PHE A 131 7.258 -16.972 -9.902 1.00 0.00 H new ATOM 0 HB2 PHE A 131 5.298 -18.398 -11.132 1.00 0.00 H new ATOM 0 HB3 PHE A 131 4.739 -18.557 -9.478 1.00 0.00 H new ATOM 0 HD1 PHE A 131 5.882 -16.015 -11.985 1.00 0.00 H new ATOM 0 HD2 PHE A 131 3.641 -16.752 -8.395 1.00 0.00 H new ATOM 0 HE1 PHE A 131 5.004 -13.698 -12.058 1.00 0.00 H new ATOM 0 HE2 PHE A 131 2.767 -14.433 -8.465 1.00 0.00 H new ATOM 0 HZ PHE A 131 3.447 -12.906 -10.297 1.00 0.00 H new ATOM 124 N LEU A 132 6.218 -19.185 -7.659 1.00 0.00 N ATOM 125 CA LEU A 132 6.179 -19.460 -6.226 1.00 0.00 C ATOM 126 C LEU A 132 7.590 -19.653 -5.679 1.00 0.00 C ATOM 127 O LEU A 132 7.830 -19.488 -4.483 1.00 0.00 O ATOM 128 CB LEU A 132 5.349 -20.716 -5.958 1.00 0.00 C ATOM 129 CG LEU A 132 4.250 -20.396 -4.945 1.00 0.00 C ATOM 130 CD1 LEU A 132 3.239 -19.435 -5.573 1.00 0.00 C ATOM 131 CD2 LEU A 132 3.538 -21.690 -4.540 1.00 0.00 C ATOM 0 H LEU A 132 5.747 -19.880 -8.239 1.00 0.00 H new ATOM 0 HA LEU A 132 5.720 -18.608 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 132 4.908 -21.078 -6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.988 -21.513 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 132 4.693 -19.932 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 132 2.456 -19.207 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.744 -18.514 -5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 132 2.796 -19.898 -6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 132 2.754 -21.463 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 132 3.096 -22.153 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.257 -22.376 -4.092 1.00 0.00 H new ATOM 143 N GLY A 133 8.519 -20.002 -6.563 1.00 0.00 N ATOM 144 CA GLY A 133 9.904 -20.214 -6.157 1.00 0.00 C ATOM 145 C GLY A 133 10.455 -18.988 -5.437 1.00 0.00 C ATOM 146 O GLY A 133 11.424 -19.081 -4.684 1.00 0.00 O ATOM 0 H GLY A 133 8.341 -20.143 -7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 133 9.966 -21.083 -5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 133 10.515 -20.431 -7.033 1.00 0.00 H new ATOM 150 N SER A 134 9.831 -17.839 -5.675 1.00 0.00 N ATOM 151 CA SER A 134 10.268 -16.599 -5.044 1.00 0.00 C ATOM 152 C SER A 134 10.029 -16.651 -3.538 1.00 0.00 C ATOM 153 O SER A 134 10.685 -15.946 -2.772 1.00 0.00 O ATOM 154 CB SER A 134 9.510 -15.414 -5.641 1.00 0.00 C ATOM 155 OG SER A 134 8.312 -15.203 -4.906 1.00 0.00 O ATOM 0 H SER A 134 9.027 -17.741 -6.295 1.00 0.00 H new ATOM 0 HA SER A 134 11.335 -16.477 -5.228 1.00 0.00 H new ATOM 0 HB2 SER A 134 10.131 -14.519 -5.611 1.00 0.00 H new ATOM 0 HB3 SER A 134 9.278 -15.607 -6.689 1.00 0.00 H new ATOM 0 HG SER A 134 7.825 -14.442 -5.286 1.00 0.00 H new ATOM 161 N LEU A 135 9.088 -17.491 -3.122 1.00 0.00 N ATOM 162 CA LEU A 135 8.770 -17.627 -1.705 1.00 0.00 C ATOM 163 C LEU A 135 9.949 -18.229 -0.948 1.00 0.00 C ATOM 164 O LEU A 135 10.206 -17.875 0.203 1.00 0.00 O ATOM 165 CB LEU A 135 7.539 -18.517 -1.529 1.00 0.00 C ATOM 166 CG LEU A 135 6.971 -18.330 -0.120 1.00 0.00 C ATOM 167 CD1 LEU A 135 5.810 -17.334 -0.165 1.00 0.00 C ATOM 168 CD2 LEU A 135 6.468 -19.675 0.408 1.00 0.00 C ATOM 0 H LEU A 135 8.535 -18.084 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 135 8.561 -16.636 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.784 -18.263 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.806 -19.561 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 135 7.751 -17.948 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.406 -17.201 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 135 6.167 -16.376 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 135 5.029 -17.715 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 135 6.063 -19.544 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.688 -20.056 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 135 7.294 -20.385 0.440 1.00 0.00 H new ATOM 180 N LEU A 136 10.662 -19.142 -1.601 1.00 0.00 N ATOM 181 CA LEU A 136 11.811 -19.787 -0.979 1.00 0.00 C ATOM 182 C LEU A 136 12.909 -18.767 -0.692 1.00 0.00 C ATOM 183 O LEU A 136 13.527 -18.788 0.372 1.00 0.00 O ATOM 184 CB LEU A 136 12.358 -20.881 -1.899 1.00 0.00 C ATOM 185 CG LEU A 136 12.433 -22.202 -1.132 1.00 0.00 C ATOM 186 CD1 LEU A 136 12.954 -23.302 -2.059 1.00 0.00 C ATOM 187 CD2 LEU A 136 13.383 -22.047 0.057 1.00 0.00 C ATOM 0 H LEU A 136 10.466 -19.449 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 136 11.488 -20.231 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.715 -20.991 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 136 13.347 -20.603 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 136 11.439 -22.470 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 136 13.007 -24.243 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.279 -23.413 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 136 13.948 -23.034 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 136 13.437 -22.988 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 136 14.376 -21.779 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 136 13.013 -21.263 0.718 1.00 0.00 H new ATOM 199 N ILE A 137 13.145 -17.875 -1.649 1.00 0.00 N ATOM 200 CA ILE A 137 14.171 -16.850 -1.489 1.00 0.00 C ATOM 201 C ILE A 137 13.769 -15.855 -0.405 1.00 0.00 C ATOM 202 O ILE A 137 14.609 -15.381 0.359 1.00 0.00 O ATOM 203 CB ILE A 137 14.382 -16.110 -2.810 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.416 -17.119 -3.963 1.00 0.00 C ATOM 205 CG2 ILE A 137 15.706 -15.346 -2.764 1.00 0.00 C ATOM 206 CD1 ILE A 137 15.378 -18.259 -3.623 1.00 0.00 C ATOM 0 H ILE A 137 12.644 -17.841 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 137 15.101 -17.337 -1.194 1.00 0.00 H new ATOM 0 HB ILE A 137 13.563 -15.408 -2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 137 13.416 -17.515 -4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.732 -16.625 -4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 137 15.855 -14.819 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 137 15.683 -14.626 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.526 -16.047 -2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 137 15.399 -18.974 -4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 137 16.379 -17.856 -3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.042 -18.760 -2.715 1.00 0.00 H new ATOM 218 N ALA A 138 12.478 -15.542 -0.346 1.00 0.00 N ATOM 219 CA ALA A 138 11.974 -14.601 0.649 1.00 0.00 C ATOM 220 C ALA A 138 12.346 -15.059 2.055 1.00 0.00 C ATOM 221 O ALA A 138 12.453 -14.248 2.974 1.00 0.00 O ATOM 222 CB ALA A 138 10.454 -14.484 0.534 1.00 0.00 C ATOM 0 H ALA A 138 11.767 -15.923 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 138 12.428 -13.627 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 138 10.086 -13.780 1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 138 10.191 -14.128 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 138 10.000 -15.461 0.702 1.00 0.00 H new ATOM 228 N GLY A 139 12.543 -16.364 2.215 1.00 0.00 N ATOM 229 CA GLY A 139 12.903 -16.918 3.515 1.00 0.00 C ATOM 230 C GLY A 139 13.955 -16.056 4.202 1.00 0.00 C ATOM 231 O GLY A 139 14.092 -16.083 5.426 1.00 0.00 O ATOM 0 H GLY A 139 12.460 -17.053 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 139 12.015 -16.986 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 139 13.283 -17.932 3.390 1.00 0.00 H new ATOM 235 N CYS A 140 14.698 -15.292 3.407 1.00 0.00 N ATOM 236 CA CYS A 140 15.737 -14.424 3.952 1.00 0.00 C ATOM 237 C CYS A 140 15.121 -13.325 4.811 1.00 0.00 C ATOM 238 O CYS A 140 15.624 -13.012 5.890 1.00 0.00 O ATOM 239 CB CYS A 140 16.541 -13.795 2.812 1.00 0.00 C ATOM 240 SG CYS A 140 18.184 -13.334 3.416 1.00 0.00 S ATOM 0 H CYS A 140 14.602 -15.256 2.392 1.00 0.00 H new ATOM 0 HA CYS A 140 16.399 -15.026 4.574 1.00 0.00 H new ATOM 0 HB2 CYS A 140 16.630 -14.498 1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 140 16.023 -12.916 2.429 1.00 0.00 H new ATOM 0 HG CYS A 140 18.869 -12.801 2.448 1.00 0.00 H new ATOM 246 N ILE A 141 14.029 -12.742 4.325 1.00 0.00 N ATOM 247 CA ILE A 141 13.353 -11.678 5.057 1.00 0.00 C ATOM 248 C ILE A 141 12.797 -12.205 6.376 1.00 0.00 C ATOM 249 O ILE A 141 12.898 -11.545 7.411 1.00 0.00 O ATOM 250 CB ILE A 141 12.214 -11.106 4.214 1.00 0.00 C ATOM 251 CG1 ILE A 141 12.784 -10.526 2.917 1.00 0.00 C ATOM 252 CG2 ILE A 141 11.504 -10.000 4.997 1.00 0.00 C ATOM 253 CD1 ILE A 141 11.642 -10.244 1.938 1.00 0.00 C ATOM 0 H ILE A 141 13.597 -12.987 3.434 1.00 0.00 H new ATOM 0 HA ILE A 141 14.078 -10.892 5.269 1.00 0.00 H new ATOM 0 HB ILE A 141 11.503 -11.898 3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 141 13.332 -9.608 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 141 13.493 -11.226 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 141 10.692 -9.592 4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 141 11.100 -10.411 5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 141 12.214 -9.207 5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 141 12.048 -9.831 1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 141 11.113 -11.172 1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 141 10.950 -9.528 2.382 1.00 0.00 H new ATOM 265 N THR A 142 12.211 -13.397 6.331 1.00 0.00 N ATOM 266 CA THR A 142 11.642 -14.003 7.530 1.00 0.00 C ATOM 267 C THR A 142 12.722 -14.222 8.584 1.00 0.00 C ATOM 268 O THR A 142 12.429 -14.325 9.775 1.00 0.00 O ATOM 269 CB THR A 142 10.989 -15.341 7.178 1.00 0.00 C ATOM 270 OG1 THR A 142 11.883 -16.107 6.382 1.00 0.00 O ATOM 271 CG2 THR A 142 9.696 -15.093 6.402 1.00 0.00 C ATOM 0 H THR A 142 12.118 -13.959 5.485 1.00 0.00 H new ATOM 0 HA THR A 142 10.889 -13.327 7.935 1.00 0.00 H new ATOM 0 HB THR A 142 10.760 -15.885 8.094 1.00 0.00 H new ATOM 0 HG1 THR A 142 12.780 -15.714 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 142 9.233 -16.048 6.152 1.00 0.00 H new ATOM 0 HG22 THR A 142 9.011 -14.506 7.014 1.00 0.00 H new ATOM 0 HG23 THR A 142 9.921 -14.548 5.485 1.00 0.00 H new ATOM 279 N SER A 143 13.972 -14.292 8.138 1.00 0.00 N ATOM 280 CA SER A 143 15.088 -14.499 9.053 1.00 0.00 C ATOM 281 C SER A 143 14.940 -15.827 9.787 1.00 0.00 C ATOM 282 O SER A 143 14.533 -15.864 10.949 1.00 0.00 O ATOM 283 CB SER A 143 15.150 -13.357 10.067 1.00 0.00 C ATOM 284 OG SER A 143 16.434 -13.341 10.678 1.00 0.00 O ATOM 0 H SER A 143 14.236 -14.209 7.156 1.00 0.00 H new ATOM 0 HA SER A 143 16.010 -14.519 8.473 1.00 0.00 H new ATOM 0 HB2 SER A 143 14.958 -12.405 9.572 1.00 0.00 H new ATOM 0 HB3 SER A 143 14.376 -13.485 10.824 1.00 0.00 H new ATOM 0 HG SER A 143 16.478 -12.609 11.328 1.00 0.00 H new ATOM 290 N THR A 144 15.272 -16.917 9.102 1.00 0.00 N ATOM 291 CA THR A 144 15.170 -18.244 9.701 1.00 0.00 C ATOM 292 C THR A 144 15.787 -19.294 8.782 1.00 0.00 C ATOM 293 O THR A 144 15.783 -19.142 7.561 1.00 0.00 O ATOM 294 CB THR A 144 13.703 -18.588 9.962 1.00 0.00 C ATOM 295 OG1 THR A 144 13.595 -19.965 10.295 1.00 0.00 O ATOM 296 CG2 THR A 144 12.877 -18.298 8.708 1.00 0.00 C ATOM 0 H THR A 144 15.611 -16.909 8.140 1.00 0.00 H new ATOM 0 HA THR A 144 15.714 -18.240 10.646 1.00 0.00 H new ATOM 0 HB THR A 144 13.328 -17.983 10.787 1.00 0.00 H new ATOM 0 HG1 THR A 144 12.656 -20.188 10.464 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.832 -18.544 8.896 1.00 0.00 H new ATOM 0 HG22 THR A 144 12.961 -17.242 8.453 1.00 0.00 H new ATOM 0 HG23 THR A 144 13.248 -18.902 7.880 1.00 0.00 H new ATOM 304 N ASP A 145 16.313 -20.358 9.378 1.00 0.00 N ATOM 305 CA ASP A 145 16.931 -21.428 8.603 1.00 0.00 C ATOM 306 C ASP A 145 17.806 -20.851 7.494 1.00 0.00 C ATOM 307 O ASP A 145 17.501 -20.992 6.310 1.00 0.00 O ATOM 308 CB ASP A 145 15.850 -22.320 7.990 1.00 0.00 C ATOM 309 CG ASP A 145 15.128 -23.092 9.088 1.00 0.00 C ATOM 310 OD1 ASP A 145 15.756 -23.940 9.701 1.00 0.00 O ATOM 311 OD2 ASP A 145 13.955 -22.826 9.301 1.00 0.00 O1- ATOM 0 H ASP A 145 16.324 -20.503 10.388 1.00 0.00 H new ATOM 0 HA ASP A 145 17.555 -22.021 9.271 1.00 0.00 H new ATOM 0 HB2 ASP A 145 15.138 -21.712 7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 145 16.299 -23.015 7.280 1.00 0.00 H new ATOM 316 N PRO A 146 18.880 -20.207 7.862 1.00 0.00 N ATOM 317 CA PRO A 146 19.826 -19.591 6.887 1.00 0.00 C ATOM 318 C PRO A 146 20.195 -20.551 5.759 1.00 0.00 C ATOM 319 O PRO A 146 20.439 -21.734 5.994 1.00 0.00 O ATOM 320 CB PRO A 146 21.051 -19.249 7.736 1.00 0.00 C ATOM 321 CG PRO A 146 20.538 -19.094 9.130 1.00 0.00 C ATOM 322 CD PRO A 146 19.309 -19.997 9.253 1.00 0.00 C ATOM 0 HA PRO A 146 19.393 -18.724 6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 146 21.801 -20.038 7.679 1.00 0.00 H new ATOM 0 HB3 PRO A 146 21.526 -18.332 7.388 1.00 0.00 H new ATOM 0 HG2 PRO A 146 21.300 -19.378 9.856 1.00 0.00 H new ATOM 0 HG3 PRO A 146 20.276 -18.055 9.332 1.00 0.00 H new ATOM 0 HD2 PRO A 146 19.554 -20.940 9.742 1.00 0.00 H new ATOM 0 HD3 PRO A 146 18.525 -19.525 9.845 1.00 0.00 H new ATOM 330 N VAL A 147 20.233 -20.033 4.536 1.00 0.00 N ATOM 331 CA VAL A 147 20.574 -20.853 3.380 1.00 0.00 C ATOM 332 C VAL A 147 22.078 -21.097 3.320 1.00 0.00 C ATOM 333 O VAL A 147 22.865 -20.308 3.842 1.00 0.00 O ATOM 334 CB VAL A 147 20.117 -20.160 2.095 1.00 0.00 C ATOM 335 CG1 VAL A 147 20.481 -21.028 0.889 1.00 0.00 C ATOM 336 CG2 VAL A 147 18.600 -19.960 2.138 1.00 0.00 C ATOM 0 H VAL A 147 20.033 -19.056 4.321 1.00 0.00 H new ATOM 0 HA VAL A 147 20.065 -21.812 3.477 1.00 0.00 H new ATOM 0 HB VAL A 147 20.611 -19.192 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 147 20.155 -20.534 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 147 21.561 -21.174 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 147 19.987 -21.996 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 147 18.272 -19.466 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 147 18.108 -20.929 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 147 18.339 -19.342 2.997 1.00 0.00 H new ATOM 346 N LEU A 148 22.470 -22.194 2.680 1.00 0.00 N ATOM 347 CA LEU A 148 23.883 -22.532 2.559 1.00 0.00 C ATOM 348 C LEU A 148 24.593 -21.547 1.636 1.00 0.00 C ATOM 349 O LEU A 148 25.674 -21.051 1.954 1.00 0.00 O ATOM 350 CB LEU A 148 24.036 -23.951 2.008 1.00 0.00 C ATOM 351 CG LEU A 148 23.933 -24.958 3.154 1.00 0.00 C ATOM 352 CD1 LEU A 148 22.592 -24.784 3.869 1.00 0.00 C ATOM 353 CD2 LEU A 148 24.029 -26.379 2.593 1.00 0.00 C ATOM 0 H LEU A 148 21.834 -22.859 2.240 1.00 0.00 H new ATOM 0 HA LEU A 148 24.336 -22.476 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 148 23.263 -24.149 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 148 24.997 -24.055 1.504 1.00 0.00 H new ATOM 0 HG LEU A 148 24.746 -24.788 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 148 22.519 -25.502 4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 148 22.521 -23.772 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 148 21.779 -24.954 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 148 23.956 -27.098 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 148 23.216 -26.547 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 148 24.984 -26.505 2.083 1.00 0.00 H new ATOM 365 N SER A 149 23.977 -21.267 0.492 1.00 0.00 N ATOM 366 CA SER A 149 24.559 -20.338 -0.471 1.00 0.00 C ATOM 367 C SER A 149 24.833 -18.989 0.185 1.00 0.00 C ATOM 368 O SER A 149 25.892 -18.393 -0.017 1.00 0.00 O ATOM 369 CB SER A 149 23.609 -20.149 -1.653 1.00 0.00 C ATOM 370 OG SER A 149 22.977 -18.880 -1.549 1.00 0.00 O ATOM 0 H SER A 149 23.082 -21.666 0.210 1.00 0.00 H new ATOM 0 HA SER A 149 25.502 -20.755 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 149 24.159 -20.218 -2.591 1.00 0.00 H new ATOM 0 HB3 SER A 149 22.860 -20.941 -1.663 1.00 0.00 H new ATOM 0 HG SER A 149 22.237 -18.935 -0.909 1.00 0.00 H new ATOM 376 N ALA A 150 23.874 -18.513 0.972 1.00 0.00 N ATOM 377 CA ALA A 150 24.023 -17.231 1.653 1.00 0.00 C ATOM 378 C ALA A 150 25.140 -17.302 2.689 1.00 0.00 C ATOM 379 O ALA A 150 25.710 -16.281 3.072 1.00 0.00 O ATOM 380 CB ALA A 150 22.711 -16.849 2.339 1.00 0.00 C ATOM 0 H ALA A 150 22.991 -18.991 1.154 1.00 0.00 H new ATOM 0 HA ALA A 150 24.278 -16.474 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 150 22.830 -15.891 2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 150 21.920 -16.769 1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 150 22.446 -17.614 3.069 1.00 0.00 H new ATOM 386 N LEU A 151 25.447 -18.515 3.138 1.00 0.00 N ATOM 387 CA LEU A 151 26.498 -18.708 4.131 1.00 0.00 C ATOM 388 C LEU A 151 27.868 -18.429 3.521 1.00 0.00 C ATOM 389 O LEU A 151 28.826 -18.129 4.233 1.00 0.00 O ATOM 390 CB LEU A 151 26.456 -20.140 4.665 1.00 0.00 C ATOM 391 CG LEU A 151 27.151 -20.199 6.025 1.00 0.00 C ATOM 392 CD1 LEU A 151 26.112 -20.035 7.137 1.00 0.00 C ATOM 393 CD2 LEU A 151 27.852 -21.550 6.181 1.00 0.00 C ATOM 0 H LEU A 151 24.987 -19.373 2.833 1.00 0.00 H new ATOM 0 HA LEU A 151 26.329 -18.011 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 151 25.423 -20.474 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 151 26.947 -20.815 3.964 1.00 0.00 H new ATOM 0 HG LEU A 151 27.886 -19.397 6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 151 26.607 -20.077 8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 151 25.610 -19.074 7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 151 25.377 -20.837 7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 151 28.348 -21.593 7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 151 27.116 -22.352 6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 151 28.592 -21.670 5.390 1.00 0.00 H new ATOM 405 N ILE A 152 27.953 -18.531 2.199 1.00 0.00 N ATOM 406 CA ILE A 152 29.213 -18.287 1.504 1.00 0.00 C ATOM 407 C ILE A 152 29.557 -16.802 1.524 1.00 0.00 C ATOM 408 O ILE A 152 30.556 -16.394 2.117 1.00 0.00 O ATOM 409 CB ILE A 152 29.111 -18.770 0.056 1.00 0.00 C ATOM 410 CG1 ILE A 152 28.554 -20.196 0.032 1.00 0.00 C ATOM 411 CG2 ILE A 152 30.499 -18.755 -0.586 1.00 0.00 C ATOM 412 CD1 ILE A 152 28.421 -20.668 -1.417 1.00 0.00 C ATOM 0 H ILE A 152 27.172 -18.779 1.591 1.00 0.00 H new ATOM 0 HA ILE A 152 30.002 -18.837 2.016 1.00 0.00 H new ATOM 0 HB ILE A 152 28.446 -18.110 -0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 152 29.214 -20.865 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 152 27.583 -20.227 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 152 30.426 -19.099 -1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 152 30.897 -17.740 -0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 152 31.164 -19.415 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 152 28.024 -21.683 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 152 27.744 -20.005 -1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 152 29.400 -20.653 -1.896 1.00 0.00 H new ATOM 424 N VAL A 153 28.724 -15.998 0.872 1.00 0.00 N ATOM 425 CA VAL A 153 28.951 -14.558 0.822 1.00 0.00 C ATOM 426 C VAL A 153 27.640 -13.802 1.011 1.00 0.00 C ATOM 427 O VAL A 153 26.583 -14.250 0.566 1.00 0.00 O ATOM 428 CB VAL A 153 29.575 -14.174 -0.521 1.00 0.00 C ATOM 429 CG1 VAL A 153 31.087 -14.391 -0.464 1.00 0.00 C ATOM 430 CG2 VAL A 153 28.976 -15.046 -1.628 1.00 0.00 C ATOM 0 H VAL A 153 27.892 -16.315 0.375 1.00 0.00 H new ATOM 0 HA VAL A 153 29.632 -14.288 1.629 1.00 0.00 H new ATOM 0 HB VAL A 153 29.368 -13.125 -0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 153 31.530 -14.117 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 153 31.514 -13.771 0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 153 31.296 -15.440 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 153 29.420 -14.774 -2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 153 29.184 -16.095 -1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 153 27.898 -14.891 -1.670 1.00 0.00 H new ATOM 440 N GLY A 154 27.715 -12.652 1.674 1.00 0.00 N ATOM 441 CA GLY A 154 26.529 -11.841 1.917 1.00 0.00 C ATOM 442 C GLY A 154 25.932 -12.145 3.287 1.00 0.00 C ATOM 443 O GLY A 154 26.646 -12.194 4.288 1.00 0.00 O ATOM 0 H GLY A 154 28.580 -12.263 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 154 26.788 -10.784 1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 154 25.787 -12.033 1.142 1.00 0.00 H new TER 447 GLY A 154