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=-0.00828 X(o=-0.0083,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 140 CYS SG : rot -66:sc= 0.653 USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 143 SER OG : rot -63:sc= 0.141 USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 20.903 -25.647 -6.800 1.00 0.00 N ATOM 2 CA LEU A 125 20.362 -24.569 -7.618 1.00 0.00 C ATOM 3 C LEU A 125 19.424 -25.124 -8.687 1.00 0.00 C ATOM 4 O LEU A 125 19.403 -26.329 -8.941 1.00 0.00 O ATOM 5 CB LEU A 125 21.501 -23.796 -8.286 1.00 0.00 C ATOM 6 CG LEU A 125 22.052 -22.755 -7.314 1.00 0.00 C ATOM 7 CD1 LEU A 125 23.537 -22.524 -7.597 1.00 0.00 C ATOM 8 CD2 LEU A 125 21.291 -21.439 -7.491 1.00 0.00 C ATOM 0 HA LEU A 125 19.799 -23.897 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 125 22.293 -24.482 -8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 125 21.141 -23.308 -9.192 1.00 0.00 H new ATOM 0 HG LEU A 125 21.929 -23.114 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 125 23.928 -21.781 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 125 24.081 -23.460 -7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 125 23.661 -22.166 -8.619 1.00 0.00 H new ATOM 0 HD21 LEU A 125 21.684 -20.695 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 125 21.414 -21.082 -8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 125 20.232 -21.601 -7.288 1.00 0.00 H new ATOM 20 N PHE A 126 18.654 -24.240 -9.309 1.00 0.00 N ATOM 21 CA PHE A 126 17.719 -24.652 -10.349 1.00 0.00 C ATOM 22 C PHE A 126 16.978 -25.921 -9.932 1.00 0.00 C ATOM 23 O PHE A 126 17.073 -26.952 -10.596 1.00 0.00 O ATOM 24 CB PHE A 126 18.472 -24.907 -11.657 1.00 0.00 C ATOM 25 CG PHE A 126 18.747 -23.591 -12.343 1.00 0.00 C ATOM 26 CD1 PHE A 126 17.768 -23.010 -13.159 1.00 0.00 C ATOM 27 CD2 PHE A 126 19.980 -22.952 -12.165 1.00 0.00 C ATOM 28 CE1 PHE A 126 18.024 -21.789 -13.796 1.00 0.00 C ATOM 29 CE2 PHE A 126 20.235 -21.732 -12.802 1.00 0.00 C ATOM 30 CZ PHE A 126 19.256 -21.150 -13.617 1.00 0.00 C ATOM 0 H PHE A 126 18.658 -23.239 -9.113 1.00 0.00 H new ATOM 0 HA PHE A 126 16.994 -23.852 -10.497 1.00 0.00 H new ATOM 0 HB2 PHE A 126 19.409 -25.427 -11.455 1.00 0.00 H new ATOM 0 HB3 PHE A 126 17.883 -25.553 -12.308 1.00 0.00 H new ATOM 0 HD1 PHE A 126 16.817 -23.503 -13.297 1.00 0.00 H new ATOM 0 HD2 PHE A 126 20.735 -23.401 -11.536 1.00 0.00 H new ATOM 0 HE1 PHE A 126 17.270 -21.340 -14.426 1.00 0.00 H new ATOM 0 HE2 PHE A 126 21.186 -21.240 -12.665 1.00 0.00 H new ATOM 0 HZ PHE A 126 19.452 -20.208 -14.107 1.00 0.00 H new ATOM 40 N PRO A 127 16.250 -25.859 -8.850 1.00 0.00 N ATOM 41 CA PRO A 127 15.476 -27.023 -8.332 1.00 0.00 C ATOM 42 C PRO A 127 14.233 -27.308 -9.173 1.00 0.00 C ATOM 43 O PRO A 127 14.070 -26.759 -10.262 1.00 0.00 O ATOM 44 CB PRO A 127 15.090 -26.598 -6.914 1.00 0.00 C ATOM 45 CG PRO A 127 15.075 -25.106 -6.937 1.00 0.00 C ATOM 46 CD PRO A 127 16.083 -24.667 -8.002 1.00 0.00 C ATOM 0 HA PRO A 127 16.055 -27.946 -8.363 1.00 0.00 H new ATOM 0 HB2 PRO A 127 14.114 -26.996 -6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 127 15.807 -26.972 -6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 127 14.078 -24.734 -7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 127 15.344 -24.702 -5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 127 15.712 -23.818 -8.576 1.00 0.00 H new ATOM 0 HD3 PRO A 127 17.028 -24.361 -7.554 1.00 0.00 H new ATOM 54 N GLN A 128 13.361 -28.170 -8.659 1.00 0.00 N ATOM 55 CA GLN A 128 12.138 -28.521 -9.371 1.00 0.00 C ATOM 56 C GLN A 128 11.072 -27.450 -9.162 1.00 0.00 C ATOM 57 O GLN A 128 10.628 -26.809 -10.116 1.00 0.00 O ATOM 58 CB GLN A 128 11.614 -29.869 -8.875 1.00 0.00 C ATOM 59 CG GLN A 128 12.685 -30.941 -9.082 1.00 0.00 C ATOM 60 CD GLN A 128 12.120 -32.088 -9.913 1.00 0.00 C ATOM 61 OE1 GLN A 128 11.963 -31.958 -11.126 1.00 0.00 O ATOM 62 NE2 GLN A 128 11.805 -33.212 -9.327 1.00 0.00 N ATOM 0 H GLN A 128 13.477 -28.635 -7.759 1.00 0.00 H new ATOM 0 HA GLN A 128 12.365 -28.590 -10.435 1.00 0.00 H new ATOM 0 HB2 GLN A 128 11.350 -29.802 -7.819 1.00 0.00 H new ATOM 0 HB3 GLN A 128 10.706 -30.139 -9.414 1.00 0.00 H new ATOM 0 HG2 GLN A 128 13.551 -30.510 -9.584 1.00 0.00 H new ATOM 0 HG3 GLN A 128 13.029 -31.315 -8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 128 11.936 -33.317 -8.321 1.00 0.00 H new ATOM 0 HE22 GLN A 128 11.428 -33.985 -9.875 1.00 0.00 H new ATOM 71 N ILE A 129 10.665 -27.262 -7.912 1.00 0.00 N ATOM 72 CA ILE A 129 9.650 -26.266 -7.590 1.00 0.00 C ATOM 73 C ILE A 129 10.191 -24.857 -7.813 1.00 0.00 C ATOM 74 O ILE A 129 10.355 -24.088 -6.865 1.00 0.00 O ATOM 75 CB ILE A 129 9.208 -26.421 -6.134 1.00 0.00 C ATOM 76 CG1 ILE A 129 10.444 -26.501 -5.234 1.00 0.00 C ATOM 77 CG2 ILE A 129 8.386 -27.702 -5.983 1.00 0.00 C ATOM 78 CD1 ILE A 129 10.209 -25.669 -3.971 1.00 0.00 C ATOM 0 H ILE A 129 11.019 -27.782 -7.110 1.00 0.00 H new ATOM 0 HA ILE A 129 8.794 -26.422 -8.247 1.00 0.00 H new ATOM 0 HB ILE A 129 8.600 -25.563 -5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 129 10.646 -27.538 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 129 11.320 -26.133 -5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.071 -27.812 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 129 7.507 -27.648 -6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.993 -28.560 -6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 129 11.088 -25.725 -3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 129 10.028 -24.630 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 129 9.343 -26.058 -3.435 1.00 0.00 H new ATOM 90 N ASN A 130 10.469 -24.527 -9.069 1.00 0.00 N ATOM 91 CA ASN A 130 10.993 -23.207 -9.404 1.00 0.00 C ATOM 92 C ASN A 130 9.933 -22.135 -9.170 1.00 0.00 C ATOM 93 O ASN A 130 10.253 -20.960 -8.993 1.00 0.00 O ATOM 94 CB ASN A 130 11.438 -23.178 -10.867 1.00 0.00 C ATOM 95 CG ASN A 130 12.908 -22.780 -10.956 1.00 0.00 C ATOM 96 OD1 ASN A 130 13.729 -23.545 -11.462 1.00 0.00 O ATOM 97 ND2 ASN A 130 13.290 -21.622 -10.493 1.00 0.00 N ATOM 0 H ASN A 130 10.342 -25.149 -9.867 1.00 0.00 H new ATOM 0 HA ASN A 130 11.849 -23.002 -8.761 1.00 0.00 H new ATOM 0 HB2 ASN A 130 11.290 -24.158 -11.321 1.00 0.00 H new ATOM 0 HB3 ASN A 130 10.827 -22.471 -11.428 1.00 0.00 H new ATOM 0 HD21 ASN A 130 14.271 -21.348 -10.550 1.00 0.00 H new ATOM 0 HD22 ASN A 130 12.608 -20.990 -10.074 1.00 0.00 H new ATOM 104 N PHE A 131 8.670 -22.549 -9.174 1.00 0.00 N ATOM 105 CA PHE A 131 7.570 -21.615 -8.961 1.00 0.00 C ATOM 106 C PHE A 131 7.684 -20.956 -7.590 1.00 0.00 C ATOM 107 O PHE A 131 7.798 -19.734 -7.485 1.00 0.00 O ATOM 108 CB PHE A 131 6.233 -22.349 -9.067 1.00 0.00 C ATOM 109 CG PHE A 131 5.261 -21.516 -9.868 1.00 0.00 C ATOM 110 CD1 PHE A 131 4.643 -20.405 -9.281 1.00 0.00 C ATOM 111 CD2 PHE A 131 4.977 -21.854 -11.196 1.00 0.00 C ATOM 112 CE1 PHE A 131 3.743 -19.632 -10.023 1.00 0.00 C ATOM 113 CE2 PHE A 131 4.077 -21.082 -11.938 1.00 0.00 C ATOM 114 CZ PHE A 131 3.459 -19.970 -11.352 1.00 0.00 C ATOM 0 H PHE A 131 8.384 -23.517 -9.321 1.00 0.00 H new ATOM 0 HA PHE A 131 7.621 -20.842 -9.728 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.376 -23.319 -9.544 1.00 0.00 H new ATOM 0 HB3 PHE A 131 5.831 -22.539 -8.072 1.00 0.00 H new ATOM 0 HD1 PHE A 131 4.861 -20.145 -8.256 1.00 0.00 H new ATOM 0 HD2 PHE A 131 5.453 -22.711 -11.648 1.00 0.00 H new ATOM 0 HE1 PHE A 131 3.267 -18.774 -9.571 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.859 -21.343 -12.963 1.00 0.00 H new ATOM 0 HZ PHE A 131 2.764 -19.374 -11.925 1.00 0.00 H new ATOM 124 N LEU A 132 7.651 -21.772 -6.542 1.00 0.00 N ATOM 125 CA LEU A 132 7.752 -21.257 -5.182 1.00 0.00 C ATOM 126 C LEU A 132 9.092 -20.561 -4.969 1.00 0.00 C ATOM 127 O LEU A 132 9.243 -19.754 -4.052 1.00 0.00 O ATOM 128 CB LEU A 132 7.605 -22.403 -4.177 1.00 0.00 C ATOM 129 CG LEU A 132 6.131 -22.789 -4.055 1.00 0.00 C ATOM 130 CD1 LEU A 132 6.011 -24.305 -3.900 1.00 0.00 C ATOM 131 CD2 LEU A 132 5.526 -22.103 -2.828 1.00 0.00 C ATOM 0 H LEU A 132 7.556 -22.785 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 132 6.952 -20.533 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 132 8.191 -23.263 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 132 7.994 -22.100 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 132 5.597 -22.472 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.960 -24.580 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 132 6.443 -24.795 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 132 6.544 -24.622 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.475 -22.377 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.061 -22.421 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.611 -21.022 -2.937 1.00 0.00 H new ATOM 143 N GLY A 133 10.059 -20.875 -5.824 1.00 0.00 N ATOM 144 CA GLY A 133 11.383 -20.273 -5.720 1.00 0.00 C ATOM 145 C GLY A 133 11.281 -18.784 -5.408 1.00 0.00 C ATOM 146 O GLY A 133 12.111 -18.233 -4.685 1.00 0.00 O ATOM 0 H GLY A 133 9.952 -21.538 -6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 133 11.954 -20.774 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.926 -20.417 -6.654 1.00 0.00 H new ATOM 150 N SER A 134 10.258 -18.138 -5.957 1.00 0.00 N ATOM 151 CA SER A 134 10.057 -16.712 -5.730 1.00 0.00 C ATOM 152 C SER A 134 9.702 -16.446 -4.269 1.00 0.00 C ATOM 153 O SER A 134 10.326 -15.614 -3.610 1.00 0.00 O ATOM 154 CB SER A 134 8.936 -16.193 -6.631 1.00 0.00 C ATOM 155 OG SER A 134 9.492 -15.354 -7.635 1.00 0.00 O ATOM 0 H SER A 134 9.560 -18.576 -6.558 1.00 0.00 H new ATOM 0 HA SER A 134 10.985 -16.191 -5.967 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.407 -17.028 -7.090 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.206 -15.639 -6.041 1.00 0.00 H new ATOM 0 HG SER A 134 8.777 -15.021 -8.216 1.00 0.00 H new ATOM 161 N LEU A 135 8.699 -17.160 -3.771 1.00 0.00 N ATOM 162 CA LEU A 135 8.269 -16.993 -2.386 1.00 0.00 C ATOM 163 C LEU A 135 9.363 -17.454 -1.428 1.00 0.00 C ATOM 164 O LEU A 135 9.376 -17.073 -0.258 1.00 0.00 O ATOM 165 CB LEU A 135 6.994 -17.799 -2.134 1.00 0.00 C ATOM 166 CG LEU A 135 5.780 -16.989 -2.592 1.00 0.00 C ATOM 167 CD1 LEU A 135 4.672 -17.940 -3.048 1.00 0.00 C ATOM 168 CD2 LEU A 135 5.269 -16.135 -1.428 1.00 0.00 C ATOM 0 H LEU A 135 8.172 -17.855 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 135 8.070 -15.936 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.037 -18.746 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.906 -18.039 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 135 6.068 -16.343 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.808 -17.362 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.034 -18.550 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.384 -18.587 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.404 -15.557 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.982 -16.783 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.057 -15.456 -1.102 1.00 0.00 H new ATOM 180 N LEU A 136 10.276 -18.277 -1.931 1.00 0.00 N ATOM 181 CA LEU A 136 11.369 -18.785 -1.110 1.00 0.00 C ATOM 182 C LEU A 136 12.277 -17.644 -0.662 1.00 0.00 C ATOM 183 O LEU A 136 12.936 -17.733 0.373 1.00 0.00 O ATOM 184 CB LEU A 136 12.186 -19.808 -1.902 1.00 0.00 C ATOM 185 CG LEU A 136 12.808 -20.820 -0.939 1.00 0.00 C ATOM 186 CD1 LEU A 136 11.811 -21.946 -0.663 1.00 0.00 C ATOM 187 CD2 LEU A 136 14.076 -21.405 -1.564 1.00 0.00 C ATOM 0 H LEU A 136 10.282 -18.605 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 136 10.944 -19.264 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.548 -20.320 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 136 12.967 -19.304 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 136 13.059 -20.321 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 136 12.256 -22.666 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 136 10.907 -21.531 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 136 11.558 -22.445 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 136 14.520 -22.127 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 136 13.824 -21.902 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 136 14.789 -20.604 -1.759 1.00 0.00 H new ATOM 199 N ILE A 137 12.305 -16.573 -1.449 1.00 0.00 N ATOM 200 CA ILE A 137 13.136 -15.420 -1.123 1.00 0.00 C ATOM 201 C ILE A 137 12.611 -14.716 0.124 1.00 0.00 C ATOM 202 O ILE A 137 13.352 -14.495 1.083 1.00 0.00 O ATOM 203 CB ILE A 137 13.151 -14.439 -2.296 1.00 0.00 C ATOM 204 CG1 ILE A 137 13.890 -15.070 -3.478 1.00 0.00 C ATOM 205 CG2 ILE A 137 13.865 -13.152 -1.878 1.00 0.00 C ATOM 206 CD1 ILE A 137 13.402 -14.437 -4.782 1.00 0.00 C ATOM 0 H ILE A 137 11.766 -16.480 -2.310 1.00 0.00 H new ATOM 0 HA ILE A 137 14.150 -15.770 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 137 12.127 -14.207 -2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 137 14.964 -14.922 -3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 137 13.717 -16.146 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 137 13.875 -12.453 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 137 13.340 -12.702 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 137 14.889 -13.383 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 137 13.928 -14.886 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 137 12.331 -14.608 -4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 137 13.598 -13.365 -4.762 1.00 0.00 H new ATOM 218 N ALA A 138 11.329 -14.367 0.105 1.00 0.00 N ATOM 219 CA ALA A 138 10.716 -13.689 1.241 1.00 0.00 C ATOM 220 C ALA A 138 10.893 -14.508 2.516 1.00 0.00 C ATOM 221 O ALA A 138 10.789 -13.982 3.623 1.00 0.00 O ATOM 222 CB ALA A 138 9.225 -13.470 0.976 1.00 0.00 C ATOM 0 H ALA A 138 10.699 -14.541 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 138 11.208 -12.725 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 138 8.774 -12.963 1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 138 9.100 -12.858 0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 138 8.737 -14.433 0.827 1.00 0.00 H new ATOM 228 N GLY A 139 11.162 -15.799 2.350 1.00 0.00 N ATOM 229 CA GLY A 139 11.354 -16.682 3.495 1.00 0.00 C ATOM 230 C GLY A 139 12.758 -16.532 4.070 1.00 0.00 C ATOM 231 O GLY A 139 12.941 -16.512 5.288 1.00 0.00 O ATOM 0 H GLY A 139 11.251 -16.254 1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 139 10.616 -16.453 4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 139 11.189 -17.716 3.193 1.00 0.00 H new ATOM 235 N CYS A 140 13.746 -16.428 3.188 1.00 0.00 N ATOM 236 CA CYS A 140 15.130 -16.282 3.621 1.00 0.00 C ATOM 237 C CYS A 140 15.329 -14.950 4.339 1.00 0.00 C ATOM 238 O CYS A 140 16.225 -14.811 5.171 1.00 0.00 O ATOM 239 CB CYS A 140 16.066 -16.357 2.413 1.00 0.00 C ATOM 240 SG CYS A 140 16.309 -14.696 1.734 1.00 0.00 S ATOM 0 H CYS A 140 13.616 -16.442 2.176 1.00 0.00 H new ATOM 0 HA CYS A 140 15.362 -17.093 4.311 1.00 0.00 H new ATOM 0 HB2 CYS A 140 17.024 -16.785 2.708 1.00 0.00 H new ATOM 0 HB3 CYS A 140 15.644 -17.014 1.653 1.00 0.00 H new ATOM 0 HG CYS A 140 15.184 -14.255 1.254 1.00 0.00 H new ATOM 246 N ILE A 141 14.489 -13.975 4.009 1.00 0.00 N ATOM 247 CA ILE A 141 14.583 -12.658 4.630 1.00 0.00 C ATOM 248 C ILE A 141 14.298 -12.750 6.125 1.00 0.00 C ATOM 249 O ILE A 141 15.161 -12.452 6.950 1.00 0.00 O ATOM 250 CB ILE A 141 13.583 -11.700 3.977 1.00 0.00 C ATOM 251 CG1 ILE A 141 13.907 -11.560 2.482 1.00 0.00 C ATOM 252 CG2 ILE A 141 13.660 -10.333 4.661 1.00 0.00 C ATOM 253 CD1 ILE A 141 14.913 -10.424 2.261 1.00 0.00 C ATOM 0 H ILE A 141 13.742 -14.069 3.321 1.00 0.00 H new ATOM 0 HA ILE A 141 15.595 -12.281 4.486 1.00 0.00 H new ATOM 0 HB ILE A 141 12.573 -12.096 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 141 14.316 -12.496 2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 141 12.994 -11.360 1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 141 12.948 -9.652 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 141 13.420 -10.441 5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 141 14.668 -9.930 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 141 15.134 -10.336 1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 141 14.489 -9.487 2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 141 15.832 -10.641 2.806 1.00 0.00 H new ATOM 265 N THR A 142 13.082 -13.164 6.467 1.00 0.00 N ATOM 266 CA THR A 142 12.695 -13.291 7.867 1.00 0.00 C ATOM 267 C THR A 142 13.585 -14.303 8.579 1.00 0.00 C ATOM 268 O THR A 142 14.405 -13.938 9.422 1.00 0.00 O ATOM 269 CB THR A 142 11.234 -13.735 7.968 1.00 0.00 C ATOM 270 OG1 THR A 142 10.466 -13.057 6.982 1.00 0.00 O ATOM 271 CG2 THR A 142 10.691 -13.402 9.357 1.00 0.00 C ATOM 0 H THR A 142 12.353 -13.415 5.799 1.00 0.00 H new ATOM 0 HA THR A 142 12.813 -12.319 8.346 1.00 0.00 H new ATOM 0 HB THR A 142 11.169 -14.811 7.805 1.00 0.00 H new ATOM 0 HG1 THR A 142 9.530 -13.341 7.044 1.00 0.00 H new ATOM 0 HG21 THR A 142 9.650 -13.719 9.427 1.00 0.00 H new ATOM 0 HG22 THR A 142 11.280 -13.922 10.112 1.00 0.00 H new ATOM 0 HG23 THR A 142 10.755 -12.327 9.524 1.00 0.00 H new ATOM 279 N SER A 143 13.419 -15.576 8.234 1.00 0.00 N ATOM 280 CA SER A 143 14.215 -16.634 8.849 1.00 0.00 C ATOM 281 C SER A 143 13.967 -17.965 8.149 1.00 0.00 C ATOM 282 O SER A 143 13.554 -18.940 8.776 1.00 0.00 O ATOM 283 CB SER A 143 13.861 -16.760 10.331 1.00 0.00 C ATOM 284 OG SER A 143 14.781 -17.644 10.959 1.00 0.00 O ATOM 0 H SER A 143 12.747 -15.899 7.538 1.00 0.00 H new ATOM 0 HA SER A 143 15.269 -16.375 8.749 1.00 0.00 H new ATOM 0 HB2 SER A 143 13.895 -15.781 10.809 1.00 0.00 H new ATOM 0 HB3 SER A 143 12.844 -17.135 10.443 1.00 0.00 H new ATOM 0 HG SER A 143 14.699 -18.537 10.564 1.00 0.00 H new ATOM 290 N THR A 144 14.222 -18.000 6.844 1.00 0.00 N ATOM 291 CA THR A 144 14.022 -19.219 6.069 1.00 0.00 C ATOM 292 C THR A 144 12.584 -19.707 6.200 1.00 0.00 C ATOM 293 O THR A 144 11.852 -19.282 7.092 1.00 0.00 O ATOM 294 CB THR A 144 14.980 -20.309 6.554 1.00 0.00 C ATOM 295 OG1 THR A 144 16.071 -19.708 7.238 1.00 0.00 O ATOM 296 CG2 THR A 144 15.501 -21.104 5.357 1.00 0.00 C ATOM 0 H THR A 144 14.565 -17.205 6.305 1.00 0.00 H new ATOM 0 HA THR A 144 14.224 -18.998 5.021 1.00 0.00 H new ATOM 0 HB THR A 144 14.453 -20.982 7.230 1.00 0.00 H new ATOM 0 HG1 THR A 144 16.685 -20.405 7.551 1.00 0.00 H new ATOM 0 HG21 THR A 144 16.183 -21.880 5.705 1.00 0.00 H new ATOM 0 HG22 THR A 144 14.663 -21.565 4.834 1.00 0.00 H new ATOM 0 HG23 THR A 144 16.029 -20.435 4.678 1.00 0.00 H new ATOM 304 N ASP A 145 12.185 -20.604 5.304 1.00 0.00 N ATOM 305 CA ASP A 145 10.831 -21.145 5.329 1.00 0.00 C ATOM 306 C ASP A 145 10.689 -22.176 6.448 1.00 0.00 C ATOM 307 O ASP A 145 11.684 -22.702 6.946 1.00 0.00 O ATOM 308 CB ASP A 145 10.509 -21.799 3.983 1.00 0.00 C ATOM 309 CG ASP A 145 9.487 -20.959 3.225 1.00 0.00 C ATOM 310 OD1 ASP A 145 9.757 -19.789 3.005 1.00 0.00 O1- ATOM 311 OD2 ASP A 145 8.449 -21.496 2.878 1.00 0.00 O ATOM 0 H ASP A 145 12.775 -20.969 4.557 1.00 0.00 H new ATOM 0 HA ASP A 145 10.133 -20.328 5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 145 11.419 -21.900 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 145 10.119 -22.804 4.142 1.00 0.00 H new ATOM 316 N PRO A 146 9.479 -22.471 6.850 1.00 0.00 N ATOM 317 CA PRO A 146 9.214 -23.461 7.934 1.00 0.00 C ATOM 318 C PRO A 146 9.545 -24.887 7.504 1.00 0.00 C ATOM 319 O PRO A 146 9.886 -25.133 6.347 1.00 0.00 O ATOM 320 CB PRO A 146 7.717 -23.309 8.215 1.00 0.00 C ATOM 321 CG PRO A 146 7.133 -22.732 6.969 1.00 0.00 C ATOM 322 CD PRO A 146 8.233 -21.894 6.317 1.00 0.00 C ATOM 0 HA PRO A 146 9.834 -23.278 8.811 1.00 0.00 H new ATOM 0 HB2 PRO A 146 7.263 -24.271 8.452 1.00 0.00 H new ATOM 0 HB3 PRO A 146 7.543 -22.655 9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 146 6.798 -23.522 6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 146 6.262 -22.118 7.198 1.00 0.00 H new ATOM 0 HD2 PRO A 146 8.195 -21.960 5.230 1.00 0.00 H new ATOM 0 HD3 PRO A 146 8.138 -20.839 6.575 1.00 0.00 H new ATOM 330 N VAL A 147 9.442 -25.822 8.442 1.00 0.00 N ATOM 331 CA VAL A 147 9.733 -27.221 8.149 1.00 0.00 C ATOM 332 C VAL A 147 8.445 -27.991 7.878 1.00 0.00 C ATOM 333 O VAL A 147 8.058 -28.865 8.654 1.00 0.00 O ATOM 334 CB VAL A 147 10.473 -27.858 9.326 1.00 0.00 C ATOM 335 CG1 VAL A 147 11.776 -27.099 9.582 1.00 0.00 C ATOM 336 CG2 VAL A 147 9.591 -27.793 10.576 1.00 0.00 C ATOM 0 H VAL A 147 9.161 -25.639 9.405 1.00 0.00 H new ATOM 0 HA VAL A 147 10.362 -27.263 7.260 1.00 0.00 H new ATOM 0 HB VAL A 147 10.700 -28.898 9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 147 12.303 -27.553 10.421 1.00 0.00 H new ATOM 0 HG12 VAL A 147 12.404 -27.143 8.692 1.00 0.00 H new ATOM 0 HG13 VAL A 147 11.551 -26.058 9.816 1.00 0.00 H new ATOM 0 HG21 VAL A 147 10.117 -28.247 11.416 1.00 0.00 H new ATOM 0 HG22 VAL A 147 9.365 -26.752 10.808 1.00 0.00 H new ATOM 0 HG23 VAL A 147 8.662 -28.334 10.394 1.00 0.00 H new ATOM 346 N LEU A 148 7.786 -27.663 6.771 1.00 0.00 N ATOM 347 CA LEU A 148 6.542 -28.331 6.409 1.00 0.00 C ATOM 348 C LEU A 148 6.812 -29.780 6.011 1.00 0.00 C ATOM 349 O LEU A 148 5.989 -30.663 6.253 1.00 0.00 O ATOM 350 CB LEU A 148 5.875 -27.596 5.241 1.00 0.00 C ATOM 351 CG LEU A 148 4.722 -26.726 5.755 1.00 0.00 C ATOM 352 CD1 LEU A 148 3.583 -27.612 6.271 1.00 0.00 C ATOM 353 CD2 LEU A 148 5.224 -25.830 6.892 1.00 0.00 C ATOM 0 H LEU A 148 8.090 -26.944 6.114 1.00 0.00 H new ATOM 0 HA LEU A 148 5.878 -28.318 7.273 1.00 0.00 H new ATOM 0 HB2 LEU A 148 6.608 -26.975 4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 148 5.501 -28.317 4.514 1.00 0.00 H new ATOM 0 HG LEU A 148 4.352 -26.109 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.769 -26.984 6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.220 -28.245 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 148 3.949 -28.238 7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.404 -25.212 7.257 1.00 0.00 H new ATOM 0 HD22 LEU A 148 5.600 -26.451 7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 148 6.025 -25.189 6.524 1.00 0.00 H new ATOM 365 N SER A 149 7.968 -30.014 5.400 1.00 0.00 N ATOM 366 CA SER A 149 8.336 -31.360 4.973 1.00 0.00 C ATOM 367 C SER A 149 8.294 -32.326 6.153 1.00 0.00 C ATOM 368 O SER A 149 8.201 -33.539 5.971 1.00 0.00 O ATOM 369 CB SER A 149 9.739 -31.350 4.369 1.00 0.00 C ATOM 370 OG SER A 149 10.622 -30.656 5.240 1.00 0.00 O ATOM 0 H SER A 149 8.662 -29.296 5.190 1.00 0.00 H new ATOM 0 HA SER A 149 7.620 -31.692 4.221 1.00 0.00 H new ATOM 0 HB2 SER A 149 10.089 -32.371 4.216 1.00 0.00 H new ATOM 0 HB3 SER A 149 9.723 -30.869 3.391 1.00 0.00 H new ATOM 0 HG SER A 149 11.523 -30.650 4.855 1.00 0.00 H new ATOM 376 N ALA A 150 8.367 -31.778 7.362 1.00 0.00 N ATOM 377 CA ALA A 150 8.338 -32.602 8.565 1.00 0.00 C ATOM 378 C ALA A 150 6.981 -33.284 8.714 1.00 0.00 C ATOM 379 O ALA A 150 6.890 -34.394 9.238 1.00 0.00 O ATOM 380 CB ALA A 150 8.614 -31.737 9.796 1.00 0.00 C ATOM 0 H ALA A 150 8.446 -30.776 7.534 1.00 0.00 H new ATOM 0 HA ALA A 150 9.109 -33.367 8.478 1.00 0.00 H new ATOM 0 HB1 ALA A 150 8.591 -32.359 10.691 1.00 0.00 H new ATOM 0 HB2 ALA A 150 9.596 -31.273 9.702 1.00 0.00 H new ATOM 0 HB3 ALA A 150 7.852 -30.961 9.874 1.00 0.00 H new ATOM 386 N LEU A 151 5.933 -32.612 8.252 1.00 0.00 N ATOM 387 CA LEU A 151 4.586 -33.164 8.339 1.00 0.00 C ATOM 388 C LEU A 151 4.430 -34.348 7.390 1.00 0.00 C ATOM 389 O LEU A 151 4.178 -35.474 7.822 1.00 0.00 O ATOM 390 CB LEU A 151 3.556 -32.089 7.989 1.00 0.00 C ATOM 391 CG LEU A 151 3.387 -31.139 9.174 1.00 0.00 C ATOM 392 CD1 LEU A 151 4.721 -30.453 9.476 1.00 0.00 C ATOM 393 CD2 LEU A 151 2.337 -30.079 8.832 1.00 0.00 C ATOM 0 H LEU A 151 5.988 -31.691 7.817 1.00 0.00 H new ATOM 0 HA LEU A 151 4.420 -33.506 9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 151 3.879 -31.534 7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 151 2.601 -32.552 7.742 1.00 0.00 H new ATOM 0 HG LEU A 151 3.064 -31.705 10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 151 4.599 -29.776 10.321 1.00 0.00 H new ATOM 0 HD12 LEU A 151 5.470 -31.206 9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 151 5.045 -29.888 8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 151 2.216 -29.401 9.677 1.00 0.00 H new ATOM 0 HD22 LEU A 151 2.661 -29.515 7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 151 1.385 -30.565 8.618 1.00 0.00 H new ATOM 405 N ILE A 152 4.579 -34.089 6.096 1.00 0.00 N ATOM 406 CA ILE A 152 4.452 -35.141 5.094 1.00 0.00 C ATOM 407 C ILE A 152 5.648 -36.088 5.158 1.00 0.00 C ATOM 408 O ILE A 152 5.578 -37.221 4.683 1.00 0.00 O ATOM 409 CB ILE A 152 4.360 -34.524 3.698 1.00 0.00 C ATOM 410 CG1 ILE A 152 4.223 -35.640 2.658 1.00 0.00 C ATOM 411 CG2 ILE A 152 5.626 -33.716 3.412 1.00 0.00 C ATOM 412 CD1 ILE A 152 3.629 -35.066 1.371 1.00 0.00 C ATOM 0 H ILE A 152 4.787 -33.165 5.717 1.00 0.00 H new ATOM 0 HA ILE A 152 3.544 -35.707 5.300 1.00 0.00 H new ATOM 0 HB ILE A 152 3.491 -33.868 3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 152 5.197 -36.084 2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 152 3.584 -36.435 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 152 5.560 -33.276 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 152 5.727 -32.923 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 152 6.495 -34.372 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 152 3.531 -35.859 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 152 2.647 -34.642 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 152 4.285 -34.287 0.983 1.00 0.00 H new ATOM 424 N VAL A 153 6.741 -35.612 5.746 1.00 0.00 N ATOM 425 CA VAL A 153 7.945 -36.426 5.865 1.00 0.00 C ATOM 426 C VAL A 153 8.524 -36.734 4.487 1.00 0.00 C ATOM 427 O VAL A 153 7.783 -36.971 3.533 1.00 0.00 O ATOM 428 CB VAL A 153 7.623 -37.735 6.589 1.00 0.00 C ATOM 429 CG1 VAL A 153 8.903 -38.313 7.194 1.00 0.00 C ATOM 430 CG2 VAL A 153 6.611 -37.462 7.705 1.00 0.00 C ATOM 0 H VAL A 153 6.818 -34.676 6.144 1.00 0.00 H new ATOM 0 HA VAL A 153 8.683 -35.865 6.439 1.00 0.00 H new ATOM 0 HB VAL A 153 7.203 -38.448 5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 153 8.673 -39.245 7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 153 9.626 -38.506 6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 153 9.324 -37.601 7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 153 6.380 -38.393 8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 153 7.033 -36.749 8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 153 5.698 -37.049 7.275 1.00 0.00 H new ATOM 440 N GLY A 154 9.848 -36.727 4.391 1.00 0.00 N ATOM 441 CA GLY A 154 10.514 -37.008 3.125 1.00 0.00 C ATOM 442 C GLY A 154 12.020 -37.145 3.320 1.00 0.00 C ATOM 443 O GLY A 154 12.537 -38.252 3.480 1.00 0.00 O ATOM 0 H GLY A 154 10.478 -36.531 5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 154 10.114 -37.926 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 154 10.307 -36.207 2.415 1.00 0.00 H new TER 447 GLY A 154