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= -0.0347 K(o=-0.035,f=-1.8!) USER MOD Single : A 130 ASN : amide:sc= -0.0304 X(o=-0.03,f=-0.03) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 140 CYS SG : rot 13:sc= 1.05 USER MOD Single : A 142 THR OG1 : rot 91:sc= 0.658 USER MOD Single : A 143 SER OG : rot 180:sc= 0.106 USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 14.655 -26.565 -0.505 1.00 0.00 N ATOM 2 CA LEU A 125 13.692 -27.440 -1.165 1.00 0.00 C ATOM 3 C LEU A 125 13.457 -26.987 -2.604 1.00 0.00 C ATOM 4 O LEU A 125 12.315 -26.908 -3.055 1.00 0.00 O ATOM 5 CB LEU A 125 12.368 -27.429 -0.402 1.00 0.00 C ATOM 6 CG LEU A 125 11.463 -28.544 -0.932 1.00 0.00 C ATOM 7 CD1 LEU A 125 11.386 -29.672 0.099 1.00 0.00 C ATOM 8 CD2 LEU A 125 10.060 -27.987 -1.181 1.00 0.00 C ATOM 0 HA LEU A 125 14.096 -28.452 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.549 -27.569 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.878 -26.462 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 125 11.872 -28.931 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.742 -30.466 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.385 -30.070 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.977 -29.285 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 125 9.415 -28.781 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.651 -27.600 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.113 -27.183 -1.915 1.00 0.00 H new ATOM 20 N PHE A 126 14.550 -26.694 -3.309 1.00 0.00 N ATOM 21 CA PHE A 126 14.482 -26.247 -4.701 1.00 0.00 C ATOM 22 C PHE A 126 13.303 -26.896 -5.437 1.00 0.00 C ATOM 23 O PHE A 126 13.412 -28.034 -5.895 1.00 0.00 O ATOM 24 CB PHE A 126 15.780 -26.621 -5.418 1.00 0.00 C ATOM 25 CG PHE A 126 16.661 -25.400 -5.540 1.00 0.00 C ATOM 26 CD1 PHE A 126 16.526 -24.548 -6.643 1.00 0.00 C ATOM 27 CD2 PHE A 126 17.611 -25.121 -4.552 1.00 0.00 C ATOM 28 CE1 PHE A 126 17.342 -23.416 -6.758 1.00 0.00 C ATOM 29 CE2 PHE A 126 18.428 -23.989 -4.667 1.00 0.00 C ATOM 30 CZ PHE A 126 18.293 -23.137 -5.770 1.00 0.00 C ATOM 0 H PHE A 126 15.497 -26.759 -2.937 1.00 0.00 H new ATOM 0 HA PHE A 126 14.341 -25.166 -4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 126 16.300 -27.404 -4.865 1.00 0.00 H new ATOM 0 HB3 PHE A 126 15.558 -27.022 -6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 126 15.792 -24.764 -7.405 1.00 0.00 H new ATOM 0 HD2 PHE A 126 17.715 -25.778 -3.701 1.00 0.00 H new ATOM 0 HE1 PHE A 126 17.238 -22.759 -7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 126 19.162 -23.773 -3.905 1.00 0.00 H new ATOM 0 HZ PHE A 126 18.923 -22.264 -5.858 1.00 0.00 H new ATOM 40 N PRO A 127 12.183 -26.214 -5.562 1.00 0.00 N ATOM 41 CA PRO A 127 10.991 -26.768 -6.258 1.00 0.00 C ATOM 42 C PRO A 127 11.068 -26.578 -7.771 1.00 0.00 C ATOM 43 O PRO A 127 11.849 -25.765 -8.265 1.00 0.00 O ATOM 44 CB PRO A 127 9.836 -25.966 -5.665 1.00 0.00 C ATOM 45 CG PRO A 127 10.419 -24.641 -5.294 1.00 0.00 C ATOM 46 CD PRO A 127 11.922 -24.850 -5.064 1.00 0.00 C ATOM 0 HA PRO A 127 10.891 -27.844 -6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 127 9.027 -25.851 -6.386 1.00 0.00 H new ATOM 0 HB3 PRO A 127 9.416 -26.468 -4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 127 10.250 -23.912 -6.086 1.00 0.00 H new ATOM 0 HG3 PRO A 127 9.943 -24.251 -4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 127 12.513 -24.110 -5.603 1.00 0.00 H new ATOM 0 HD3 PRO A 127 12.179 -24.756 -4.009 1.00 0.00 H new ATOM 54 N GLN A 128 10.253 -27.333 -8.500 1.00 0.00 N ATOM 55 CA GLN A 128 10.239 -27.238 -9.956 1.00 0.00 C ATOM 56 C GLN A 128 9.637 -25.909 -10.398 1.00 0.00 C ATOM 57 O GLN A 128 10.247 -25.166 -11.168 1.00 0.00 O ATOM 58 CB GLN A 128 9.428 -28.391 -10.548 1.00 0.00 C ATOM 59 CG GLN A 128 10.070 -28.848 -11.858 1.00 0.00 C ATOM 60 CD GLN A 128 9.131 -29.793 -12.600 1.00 0.00 C ATOM 61 OE1 GLN A 128 7.916 -29.739 -12.407 1.00 0.00 O ATOM 62 NE2 GLN A 128 9.623 -30.660 -13.441 1.00 0.00 N ATOM 0 H GLN A 128 9.599 -28.012 -8.111 1.00 0.00 H new ATOM 0 HA GLN A 128 11.266 -27.297 -10.316 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.387 -29.221 -9.842 1.00 0.00 H new ATOM 0 HB3 GLN A 128 8.401 -28.073 -10.726 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.296 -27.983 -12.482 1.00 0.00 H new ATOM 0 HG3 GLN A 128 11.016 -29.349 -11.653 1.00 0.00 H new ATOM 0 HE21 GLN A 128 10.630 -30.703 -13.599 1.00 0.00 H new ATOM 0 HE22 GLN A 128 9.001 -31.295 -13.941 1.00 0.00 H new ATOM 71 N ILE A 129 8.440 -25.613 -9.904 1.00 0.00 N ATOM 72 CA ILE A 129 7.766 -24.369 -10.255 1.00 0.00 C ATOM 73 C ILE A 129 8.589 -23.168 -9.801 1.00 0.00 C ATOM 74 O ILE A 129 8.760 -22.937 -8.604 1.00 0.00 O ATOM 75 CB ILE A 129 6.383 -24.319 -9.602 1.00 0.00 C ATOM 76 CG1 ILE A 129 5.697 -23.000 -9.961 1.00 0.00 C ATOM 77 CG2 ILE A 129 6.531 -24.416 -8.081 1.00 0.00 C ATOM 78 CD1 ILE A 129 4.222 -23.065 -9.559 1.00 0.00 C ATOM 0 H ILE A 129 7.920 -26.213 -9.264 1.00 0.00 H new ATOM 0 HA ILE A 129 7.656 -24.332 -11.339 1.00 0.00 H new ATOM 0 HB ILE A 129 5.782 -25.153 -9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 129 6.188 -22.172 -9.450 1.00 0.00 H new ATOM 0 HG13 ILE A 129 5.785 -22.812 -11.031 1.00 0.00 H new ATOM 0 HG21 ILE A 129 5.546 -24.380 -7.617 1.00 0.00 H new ATOM 0 HG22 ILE A 129 7.020 -25.355 -7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 129 7.133 -23.582 -7.720 1.00 0.00 H new ATOM 0 HD11 ILE A 129 3.733 -22.125 -9.815 1.00 0.00 H new ATOM 0 HD12 ILE A 129 3.736 -23.883 -10.090 1.00 0.00 H new ATOM 0 HD13 ILE A 129 4.145 -23.233 -8.485 1.00 0.00 H new ATOM 90 N ASN A 130 9.096 -22.406 -10.765 1.00 0.00 N ATOM 91 CA ASN A 130 9.901 -21.231 -10.452 1.00 0.00 C ATOM 92 C ASN A 130 9.042 -20.148 -9.809 1.00 0.00 C ATOM 93 O ASN A 130 9.555 -19.250 -9.141 1.00 0.00 O ATOM 94 CB ASN A 130 10.545 -20.684 -11.727 1.00 0.00 C ATOM 95 CG ASN A 130 11.517 -19.561 -11.381 1.00 0.00 C ATOM 96 OD1 ASN A 130 12.510 -19.789 -10.690 1.00 0.00 O ATOM 97 ND2 ASN A 130 11.288 -18.354 -11.820 1.00 0.00 N ATOM 0 H ASN A 130 8.965 -22.579 -11.762 1.00 0.00 H new ATOM 0 HA ASN A 130 10.680 -21.525 -9.749 1.00 0.00 H new ATOM 0 HB2 ASN A 130 11.071 -21.483 -12.250 1.00 0.00 H new ATOM 0 HB3 ASN A 130 9.775 -20.314 -12.403 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.932 -17.597 -11.591 1.00 0.00 H new ATOM 0 HD22 ASN A 130 10.465 -18.167 -12.392 1.00 0.00 H new ATOM 104 N PHE A 131 7.732 -20.239 -10.013 1.00 0.00 N ATOM 105 CA PHE A 131 6.812 -19.260 -9.447 1.00 0.00 C ATOM 106 C PHE A 131 6.895 -19.264 -7.924 1.00 0.00 C ATOM 107 O PHE A 131 7.300 -18.275 -7.312 1.00 0.00 O ATOM 108 CB PHE A 131 5.379 -19.576 -9.883 1.00 0.00 C ATOM 109 CG PHE A 131 4.733 -18.325 -10.431 1.00 0.00 C ATOM 110 CD1 PHE A 131 5.060 -17.873 -11.716 1.00 0.00 C ATOM 111 CD2 PHE A 131 3.809 -17.618 -9.654 1.00 0.00 C ATOM 112 CE1 PHE A 131 4.461 -16.714 -12.223 1.00 0.00 C ATOM 113 CE2 PHE A 131 3.210 -16.457 -10.161 1.00 0.00 C ATOM 114 CZ PHE A 131 3.537 -16.007 -11.445 1.00 0.00 C ATOM 0 H PHE A 131 7.286 -20.975 -10.562 1.00 0.00 H new ATOM 0 HA PHE A 131 7.093 -18.272 -9.812 1.00 0.00 H new ATOM 0 HB2 PHE A 131 5.382 -20.359 -10.641 1.00 0.00 H new ATOM 0 HB3 PHE A 131 4.805 -19.954 -9.037 1.00 0.00 H new ATOM 0 HD1 PHE A 131 5.774 -18.419 -12.315 1.00 0.00 H new ATOM 0 HD2 PHE A 131 3.557 -17.967 -8.663 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.712 -16.365 -13.214 1.00 0.00 H new ATOM 0 HE2 PHE A 131 2.497 -15.910 -9.562 1.00 0.00 H new ATOM 0 HZ PHE A 131 3.076 -15.112 -11.836 1.00 0.00 H new ATOM 124 N LEU A 132 6.508 -20.382 -7.318 1.00 0.00 N ATOM 125 CA LEU A 132 6.544 -20.503 -5.866 1.00 0.00 C ATOM 126 C LEU A 132 7.975 -20.372 -5.352 1.00 0.00 C ATOM 127 O LEU A 132 8.205 -19.888 -4.244 1.00 0.00 O ATOM 128 CB LEU A 132 5.969 -21.856 -5.440 1.00 0.00 C ATOM 129 CG LEU A 132 5.428 -21.755 -4.014 1.00 0.00 C ATOM 130 CD1 LEU A 132 3.953 -21.350 -4.055 1.00 0.00 C ATOM 131 CD2 LEU A 132 5.562 -23.113 -3.322 1.00 0.00 C ATOM 0 H LEU A 132 6.168 -21.211 -7.806 1.00 0.00 H new ATOM 0 HA LEU A 132 5.942 -19.701 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 132 5.173 -22.155 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 132 6.741 -22.624 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 132 5.996 -21.006 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 132 3.567 -21.278 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.855 -20.384 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 132 3.385 -22.099 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.177 -23.043 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 132 4.993 -23.861 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 132 6.612 -23.404 -3.293 1.00 0.00 H new ATOM 143 N GLY A 133 8.933 -20.806 -6.165 1.00 0.00 N ATOM 144 CA GLY A 133 10.337 -20.732 -5.782 1.00 0.00 C ATOM 145 C GLY A 133 10.727 -19.306 -5.410 1.00 0.00 C ATOM 146 O GLY A 133 11.690 -19.087 -4.675 1.00 0.00 O ATOM 0 H GLY A 133 8.764 -21.210 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.523 -21.396 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 133 10.961 -21.081 -6.605 1.00 0.00 H new ATOM 150 N SER A 134 9.970 -18.339 -5.918 1.00 0.00 N ATOM 151 CA SER A 134 10.245 -16.936 -5.632 1.00 0.00 C ATOM 152 C SER A 134 9.998 -16.633 -4.158 1.00 0.00 C ATOM 153 O SER A 134 10.733 -15.861 -3.540 1.00 0.00 O ATOM 154 CB SER A 134 9.355 -16.043 -6.495 1.00 0.00 C ATOM 155 OG SER A 134 10.113 -14.934 -6.959 1.00 0.00 O ATOM 0 H SER A 134 9.167 -18.499 -6.526 1.00 0.00 H new ATOM 0 HA SER A 134 11.291 -16.735 -5.863 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.962 -16.609 -7.340 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.498 -15.697 -5.917 1.00 0.00 H new ATOM 0 HG SER A 134 9.546 -14.360 -7.515 1.00 0.00 H new ATOM 161 N LEU A 135 8.959 -17.244 -3.600 1.00 0.00 N ATOM 162 CA LEU A 135 8.623 -17.031 -2.195 1.00 0.00 C ATOM 163 C LEU A 135 9.716 -17.595 -1.293 1.00 0.00 C ATOM 164 O LEU A 135 9.928 -17.107 -0.182 1.00 0.00 O ATOM 165 CB LEU A 135 7.290 -17.707 -1.869 1.00 0.00 C ATOM 166 CG LEU A 135 6.169 -16.668 -1.897 1.00 0.00 C ATOM 167 CD1 LEU A 135 6.137 -15.987 -3.267 1.00 0.00 C ATOM 168 CD2 LEU A 135 4.828 -17.357 -1.641 1.00 0.00 C ATOM 0 H LEU A 135 8.339 -17.886 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 135 8.539 -15.959 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.085 -18.498 -2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.340 -18.177 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 135 6.348 -15.921 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.338 -15.246 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 135 7.092 -15.495 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 135 5.959 -16.734 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.029 -16.616 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.649 -18.104 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.849 -17.842 -0.665 1.00 0.00 H new ATOM 180 N LEU A 136 10.406 -18.622 -1.776 1.00 0.00 N ATOM 181 CA LEU A 136 11.474 -19.245 -1.004 1.00 0.00 C ATOM 182 C LEU A 136 12.617 -18.259 -0.779 1.00 0.00 C ATOM 183 O LEU A 136 13.297 -18.307 0.245 1.00 0.00 O ATOM 184 CB LEU A 136 11.999 -20.479 -1.738 1.00 0.00 C ATOM 185 CG LEU A 136 11.667 -21.735 -0.930 1.00 0.00 C ATOM 186 CD1 LEU A 136 12.037 -22.978 -1.744 1.00 0.00 C ATOM 187 CD2 LEU A 136 12.466 -21.726 0.375 1.00 0.00 C ATOM 0 H LEU A 136 10.246 -19.039 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 136 11.070 -19.544 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.551 -20.543 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 136 13.077 -20.399 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 136 10.601 -21.751 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.801 -23.873 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 136 11.471 -22.985 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 136 13.104 -22.962 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 136 12.231 -22.620 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 136 13.532 -21.710 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 136 12.205 -20.841 0.955 1.00 0.00 H new ATOM 199 N ILE A 137 12.820 -17.367 -1.742 1.00 0.00 N ATOM 200 CA ILE A 137 13.883 -16.374 -1.640 1.00 0.00 C ATOM 201 C ILE A 137 13.578 -15.376 -0.525 1.00 0.00 C ATOM 202 O ILE A 137 14.381 -15.188 0.388 1.00 0.00 O ATOM 203 CB ILE A 137 14.034 -15.629 -2.966 1.00 0.00 C ATOM 204 CG1 ILE A 137 13.966 -16.627 -4.125 1.00 0.00 C ATOM 205 CG2 ILE A 137 15.380 -14.904 -2.996 1.00 0.00 C ATOM 206 CD1 ILE A 137 14.914 -17.798 -3.853 1.00 0.00 C ATOM 0 H ILE A 137 12.267 -17.311 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 137 14.814 -16.890 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 137 13.228 -14.902 -3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 137 12.946 -16.992 -4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.239 -16.135 -5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 137 15.486 -14.373 -3.942 1.00 0.00 H new ATOM 0 HG22 ILE A 137 15.428 -14.191 -2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.187 -15.630 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.863 -18.507 -4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.934 -17.426 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 137 14.621 -18.297 -2.929 1.00 0.00 H new ATOM 218 N ALA A 138 12.414 -14.742 -0.610 1.00 0.00 N ATOM 219 CA ALA A 138 12.014 -13.766 0.398 1.00 0.00 C ATOM 220 C ALA A 138 12.036 -14.390 1.789 1.00 0.00 C ATOM 221 O ALA A 138 12.118 -13.685 2.795 1.00 0.00 O ATOM 222 CB ALA A 138 10.607 -13.247 0.092 1.00 0.00 C ATOM 0 H ALA A 138 11.736 -14.884 -1.359 1.00 0.00 H new ATOM 0 HA ALA A 138 12.721 -12.937 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 138 10.315 -12.519 0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 138 10.599 -12.773 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 138 9.903 -14.079 0.099 1.00 0.00 H new ATOM 228 N GLY A 139 11.962 -15.716 1.839 1.00 0.00 N ATOM 229 CA GLY A 139 11.976 -16.425 3.112 1.00 0.00 C ATOM 230 C GLY A 139 13.177 -16.010 3.956 1.00 0.00 C ATOM 231 O GLY A 139 13.182 -16.186 5.173 1.00 0.00 O ATOM 0 H GLY A 139 11.892 -16.317 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 139 11.055 -16.219 3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 139 12.007 -17.500 2.933 1.00 0.00 H new ATOM 235 N CYS A 140 14.191 -15.457 3.299 1.00 0.00 N ATOM 236 CA CYS A 140 15.393 -15.020 3.999 1.00 0.00 C ATOM 237 C CYS A 140 15.075 -13.860 4.936 1.00 0.00 C ATOM 238 O CYS A 140 15.825 -13.580 5.871 1.00 0.00 O ATOM 239 CB CYS A 140 16.456 -14.583 2.988 1.00 0.00 C ATOM 240 SG CYS A 140 17.526 -13.332 3.740 1.00 0.00 S ATOM 0 H CYS A 140 14.205 -15.302 2.291 1.00 0.00 H new ATOM 0 HA CYS A 140 15.772 -15.855 4.588 1.00 0.00 H new ATOM 0 HB2 CYS A 140 17.049 -15.442 2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 140 15.979 -14.180 2.095 1.00 0.00 H new ATOM 0 HG CYS A 140 17.316 -13.295 5.022 1.00 0.00 H new ATOM 246 N ILE A 141 13.957 -13.189 4.683 1.00 0.00 N ATOM 247 CA ILE A 141 13.549 -12.060 5.512 1.00 0.00 C ATOM 248 C ILE A 141 13.253 -12.521 6.936 1.00 0.00 C ATOM 249 O ILE A 141 13.487 -11.788 7.896 1.00 0.00 O ATOM 250 CB ILE A 141 12.305 -11.399 4.919 1.00 0.00 C ATOM 251 CG1 ILE A 141 12.030 -10.083 5.649 1.00 0.00 C ATOM 252 CG2 ILE A 141 11.103 -12.331 5.084 1.00 0.00 C ATOM 253 CD1 ILE A 141 10.784 -9.420 5.058 1.00 0.00 C ATOM 0 H ILE A 141 13.320 -13.405 3.916 1.00 0.00 H new ATOM 0 HA ILE A 141 14.366 -11.338 5.538 1.00 0.00 H new ATOM 0 HB ILE A 141 12.470 -11.202 3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 141 11.885 -10.269 6.713 1.00 0.00 H new ATOM 0 HG13 ILE A 141 12.888 -9.417 5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 141 10.216 -11.859 4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 141 11.297 -13.270 4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 141 10.939 -12.529 6.143 1.00 0.00 H new ATOM 0 HD11 ILE A 141 10.589 -8.483 5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 141 10.946 -9.220 3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 141 9.928 -10.085 5.175 1.00 0.00 H new ATOM 265 N THR A 142 12.738 -13.739 7.063 1.00 0.00 N ATOM 266 CA THR A 142 12.414 -14.288 8.375 1.00 0.00 C ATOM 267 C THR A 142 13.665 -14.382 9.241 1.00 0.00 C ATOM 268 O THR A 142 13.580 -14.452 10.467 1.00 0.00 O ATOM 269 CB THR A 142 11.790 -15.676 8.221 1.00 0.00 C ATOM 270 OG1 THR A 142 11.022 -15.719 7.025 1.00 0.00 O ATOM 271 CG2 THR A 142 10.889 -15.969 9.420 1.00 0.00 C ATOM 0 H THR A 142 12.537 -14.361 6.280 1.00 0.00 H new ATOM 0 HA THR A 142 11.701 -13.622 8.860 1.00 0.00 H new ATOM 0 HB THR A 142 12.580 -16.426 8.173 1.00 0.00 H new ATOM 0 HG1 THR A 142 11.585 -16.030 6.286 1.00 0.00 H new ATOM 0 HG21 THR A 142 10.445 -16.958 9.309 1.00 0.00 H new ATOM 0 HG22 THR A 142 11.480 -15.937 10.335 1.00 0.00 H new ATOM 0 HG23 THR A 142 10.098 -15.221 9.472 1.00 0.00 H new ATOM 279 N SER A 143 14.826 -14.386 8.595 1.00 0.00 N ATOM 280 CA SER A 143 16.091 -14.473 9.317 1.00 0.00 C ATOM 281 C SER A 143 16.256 -13.281 10.253 1.00 0.00 C ATOM 282 O SER A 143 15.314 -12.880 10.936 1.00 0.00 O ATOM 283 CB SER A 143 17.256 -14.513 8.327 1.00 0.00 C ATOM 284 OG SER A 143 18.417 -14.996 8.988 1.00 0.00 O ATOM 0 H SER A 143 14.918 -14.330 7.581 1.00 0.00 H new ATOM 0 HA SER A 143 16.088 -15.388 9.910 1.00 0.00 H new ATOM 0 HB2 SER A 143 17.009 -15.157 7.483 1.00 0.00 H new ATOM 0 HB3 SER A 143 17.441 -13.517 7.924 1.00 0.00 H new ATOM 0 HG SER A 143 19.165 -15.025 8.356 1.00 0.00 H new ATOM 290 N THR A 144 17.460 -12.718 10.280 1.00 0.00 N ATOM 291 CA THR A 144 17.736 -11.571 11.137 1.00 0.00 C ATOM 292 C THR A 144 17.479 -11.920 12.600 1.00 0.00 C ATOM 293 O THR A 144 16.344 -12.189 12.992 1.00 0.00 O ATOM 294 CB THR A 144 16.855 -10.389 10.728 1.00 0.00 C ATOM 295 OG1 THR A 144 16.498 -10.517 9.360 1.00 0.00 O ATOM 296 CG2 THR A 144 17.621 -9.082 10.938 1.00 0.00 C ATOM 0 H THR A 144 18.254 -13.034 9.723 1.00 0.00 H new ATOM 0 HA THR A 144 18.785 -11.298 11.020 1.00 0.00 H new ATOM 0 HB THR A 144 15.953 -10.380 11.339 1.00 0.00 H new ATOM 0 HG1 THR A 144 15.932 -9.761 9.097 1.00 0.00 H new ATOM 0 HG21 THR A 144 16.992 -8.241 10.646 1.00 0.00 H new ATOM 0 HG22 THR A 144 17.893 -8.984 11.989 1.00 0.00 H new ATOM 0 HG23 THR A 144 18.525 -9.088 10.329 1.00 0.00 H new ATOM 304 N ASP A 145 18.540 -11.915 13.399 1.00 0.00 N ATOM 305 CA ASP A 145 18.417 -12.232 14.817 1.00 0.00 C ATOM 306 C ASP A 145 19.288 -11.296 15.653 1.00 0.00 C ATOM 307 O ASP A 145 20.194 -10.649 15.130 1.00 0.00 O ATOM 308 CB ASP A 145 18.838 -13.683 15.064 1.00 0.00 C ATOM 309 CG ASP A 145 19.368 -14.298 13.773 1.00 0.00 C ATOM 310 OD1 ASP A 145 18.573 -14.860 13.037 1.00 0.00 O ATOM 311 OD2 ASP A 145 20.561 -14.199 13.540 1.00 0.00 O1- ATOM 0 H ASP A 145 19.488 -11.697 13.092 1.00 0.00 H new ATOM 0 HA ASP A 145 17.376 -12.100 15.112 1.00 0.00 H new ATOM 0 HB2 ASP A 145 19.606 -13.721 15.837 1.00 0.00 H new ATOM 0 HB3 ASP A 145 17.988 -14.260 15.430 1.00 0.00 H new ATOM 316 N PRO A 146 19.031 -11.215 16.933 1.00 0.00 N ATOM 317 CA PRO A 146 19.811 -10.338 17.853 1.00 0.00 C ATOM 318 C PRO A 146 21.234 -10.849 18.065 1.00 0.00 C ATOM 319 O PRO A 146 22.167 -10.412 17.391 1.00 0.00 O ATOM 320 CB PRO A 146 19.017 -10.379 19.162 1.00 0.00 C ATOM 321 CG PRO A 146 18.242 -11.653 19.118 1.00 0.00 C ATOM 322 CD PRO A 146 17.971 -11.950 17.643 1.00 0.00 C ATOM 0 HA PRO A 146 19.927 -9.331 17.453 1.00 0.00 H new ATOM 0 HB2 PRO A 146 19.682 -10.354 20.025 1.00 0.00 H new ATOM 0 HB3 PRO A 146 18.353 -9.518 19.246 1.00 0.00 H new ATOM 0 HG2 PRO A 146 18.805 -12.465 19.579 1.00 0.00 H new ATOM 0 HG3 PRO A 146 17.308 -11.557 19.672 1.00 0.00 H new ATOM 0 HD2 PRO A 146 18.018 -13.019 17.436 1.00 0.00 H new ATOM 0 HD3 PRO A 146 16.980 -11.611 17.343 1.00 0.00 H new ATOM 330 N VAL A 147 21.392 -11.775 19.006 1.00 0.00 N ATOM 331 CA VAL A 147 22.705 -12.338 19.298 1.00 0.00 C ATOM 332 C VAL A 147 22.578 -13.789 19.748 1.00 0.00 C ATOM 333 O VAL A 147 23.572 -14.437 20.078 1.00 0.00 O ATOM 334 CB VAL A 147 23.392 -11.521 20.392 1.00 0.00 C ATOM 335 CG1 VAL A 147 24.741 -12.156 20.735 1.00 0.00 C ATOM 336 CG2 VAL A 147 23.615 -10.090 19.895 1.00 0.00 C ATOM 0 H VAL A 147 20.633 -12.149 19.575 1.00 0.00 H new ATOM 0 HA VAL A 147 23.305 -12.303 18.388 1.00 0.00 H new ATOM 0 HB VAL A 147 22.762 -11.505 21.281 1.00 0.00 H new ATOM 0 HG11 VAL A 147 25.230 -11.573 21.515 1.00 0.00 H new ATOM 0 HG12 VAL A 147 24.584 -13.175 21.088 1.00 0.00 H new ATOM 0 HG13 VAL A 147 25.371 -12.173 19.846 1.00 0.00 H new ATOM 0 HG21 VAL A 147 24.105 -9.506 20.674 1.00 0.00 H new ATOM 0 HG22 VAL A 147 24.244 -10.108 19.005 1.00 0.00 H new ATOM 0 HG23 VAL A 147 22.655 -9.636 19.651 1.00 0.00 H new ATOM 346 N LEU A 148 21.350 -14.296 19.758 1.00 0.00 N ATOM 347 CA LEU A 148 21.104 -15.673 20.170 1.00 0.00 C ATOM 348 C LEU A 148 21.669 -16.647 19.143 1.00 0.00 C ATOM 349 O LEU A 148 22.266 -17.663 19.499 1.00 0.00 O ATOM 350 CB LEU A 148 19.600 -15.910 20.329 1.00 0.00 C ATOM 351 CG LEU A 148 19.169 -15.524 21.743 1.00 0.00 C ATOM 352 CD1 LEU A 148 17.695 -15.112 21.734 1.00 0.00 C ATOM 353 CD2 LEU A 148 19.356 -16.722 22.678 1.00 0.00 C ATOM 0 H LEU A 148 20.514 -13.778 19.487 1.00 0.00 H new ATOM 0 HA LEU A 148 21.601 -15.842 21.126 1.00 0.00 H new ATOM 0 HB2 LEU A 148 19.049 -15.321 19.596 1.00 0.00 H new ATOM 0 HB3 LEU A 148 19.364 -16.957 20.139 1.00 0.00 H new ATOM 0 HG LEU A 148 19.778 -14.690 22.092 1.00 0.00 H new ATOM 0 HD11 LEU A 148 17.388 -14.837 22.743 1.00 0.00 H new ATOM 0 HD12 LEU A 148 17.560 -14.260 21.068 1.00 0.00 H new ATOM 0 HD13 LEU A 148 17.086 -15.946 21.384 1.00 0.00 H new ATOM 0 HD21 LEU A 148 19.049 -16.447 23.687 1.00 0.00 H new ATOM 0 HD22 LEU A 148 18.747 -17.556 22.328 1.00 0.00 H new ATOM 0 HD23 LEU A 148 20.405 -17.017 22.686 1.00 0.00 H new ATOM 365 N SER A 149 21.477 -16.331 17.866 1.00 0.00 N ATOM 366 CA SER A 149 21.973 -17.187 16.793 1.00 0.00 C ATOM 367 C SER A 149 23.476 -17.410 16.938 1.00 0.00 C ATOM 368 O SER A 149 24.006 -18.432 16.503 1.00 0.00 O ATOM 369 CB SER A 149 21.678 -16.548 15.436 1.00 0.00 C ATOM 370 OG SER A 149 22.119 -17.418 14.402 1.00 0.00 O ATOM 0 H SER A 149 20.985 -15.495 17.550 1.00 0.00 H new ATOM 0 HA SER A 149 21.466 -18.150 16.858 1.00 0.00 H new ATOM 0 HB2 SER A 149 20.610 -16.357 15.335 1.00 0.00 H new ATOM 0 HB3 SER A 149 22.183 -15.585 15.357 1.00 0.00 H new ATOM 0 HG SER A 149 21.930 -17.012 13.530 1.00 0.00 H new ATOM 376 N ALA A 150 24.157 -16.444 17.548 1.00 0.00 N ATOM 377 CA ALA A 150 25.598 -16.546 17.743 1.00 0.00 C ATOM 378 C ALA A 150 25.931 -17.687 18.698 1.00 0.00 C ATOM 379 O ALA A 150 26.927 -18.388 18.520 1.00 0.00 O ATOM 380 CB ALA A 150 26.142 -15.232 18.306 1.00 0.00 C ATOM 0 H ALA A 150 23.738 -15.589 17.913 1.00 0.00 H new ATOM 0 HA ALA A 150 26.063 -16.749 16.778 1.00 0.00 H new ATOM 0 HB1 ALA A 150 27.219 -15.316 18.449 1.00 0.00 H new ATOM 0 HB2 ALA A 150 25.931 -14.422 17.608 1.00 0.00 H new ATOM 0 HB3 ALA A 150 25.664 -15.021 19.263 1.00 0.00 H new ATOM 386 N LEU A 151 25.091 -17.869 19.711 1.00 0.00 N ATOM 387 CA LEU A 151 25.305 -18.930 20.689 1.00 0.00 C ATOM 388 C LEU A 151 25.066 -20.298 20.058 1.00 0.00 C ATOM 389 O LEU A 151 25.731 -21.275 20.402 1.00 0.00 O ATOM 390 CB LEU A 151 24.362 -18.742 21.880 1.00 0.00 C ATOM 391 CG LEU A 151 24.389 -17.281 22.328 1.00 0.00 C ATOM 392 CD1 LEU A 151 23.476 -17.102 23.541 1.00 0.00 C ATOM 393 CD2 LEU A 151 25.820 -16.891 22.707 1.00 0.00 C ATOM 0 H LEU A 151 24.261 -17.300 19.876 1.00 0.00 H new ATOM 0 HA LEU A 151 26.338 -18.878 21.033 1.00 0.00 H new ATOM 0 HB2 LEU A 151 23.348 -19.029 21.603 1.00 0.00 H new ATOM 0 HB3 LEU A 151 24.664 -19.391 22.702 1.00 0.00 H new ATOM 0 HG LEU A 151 24.041 -16.645 21.514 1.00 0.00 H new ATOM 0 HD11 LEU A 151 23.495 -16.060 23.860 1.00 0.00 H new ATOM 0 HD12 LEU A 151 22.457 -17.381 23.273 1.00 0.00 H new ATOM 0 HD13 LEU A 151 23.824 -17.738 24.355 1.00 0.00 H new ATOM 0 HD21 LEU A 151 25.841 -15.849 23.027 1.00 0.00 H new ATOM 0 HD22 LEU A 151 26.167 -17.527 23.521 1.00 0.00 H new ATOM 0 HD23 LEU A 151 26.473 -17.018 21.843 1.00 0.00 H new ATOM 405 N ILE A 152 24.114 -20.358 19.133 1.00 0.00 N ATOM 406 CA ILE A 152 23.795 -21.612 18.461 1.00 0.00 C ATOM 407 C ILE A 152 24.910 -22.003 17.497 1.00 0.00 C ATOM 408 O ILE A 152 25.396 -23.133 17.529 1.00 0.00 O ATOM 409 CB ILE A 152 22.479 -21.473 17.693 1.00 0.00 C ATOM 410 CG1 ILE A 152 21.315 -21.416 18.685 1.00 0.00 C ATOM 411 CG2 ILE A 152 22.299 -22.676 16.765 1.00 0.00 C ATOM 412 CD1 ILE A 152 20.048 -20.963 17.958 1.00 0.00 C ATOM 0 H ILE A 152 23.554 -19.560 18.833 1.00 0.00 H new ATOM 0 HA ILE A 152 23.694 -22.391 19.216 1.00 0.00 H new ATOM 0 HB ILE A 152 22.499 -20.558 17.101 1.00 0.00 H new ATOM 0 HG12 ILE A 152 21.158 -22.396 19.135 1.00 0.00 H new ATOM 0 HG13 ILE A 152 21.548 -20.726 19.496 1.00 0.00 H new ATOM 0 HG21 ILE A 152 21.361 -22.577 16.218 1.00 0.00 H new ATOM 0 HG22 ILE A 152 23.128 -22.718 16.059 1.00 0.00 H new ATOM 0 HG23 ILE A 152 22.279 -23.592 17.356 1.00 0.00 H new ATOM 0 HD11 ILE A 152 19.218 -20.922 18.664 1.00 0.00 H new ATOM 0 HD12 ILE A 152 20.209 -19.974 17.529 1.00 0.00 H new ATOM 0 HD13 ILE A 152 19.813 -21.670 17.162 1.00 0.00 H new ATOM 424 N VAL A 153 25.304 -21.052 16.645 1.00 0.00 N ATOM 425 CA VAL A 153 26.364 -21.279 15.660 1.00 0.00 C ATOM 426 C VAL A 153 26.389 -22.731 15.194 1.00 0.00 C ATOM 427 O VAL A 153 27.124 -23.555 15.738 1.00 0.00 O ATOM 428 CB VAL A 153 27.728 -20.902 16.250 1.00 0.00 C ATOM 429 CG1 VAL A 153 27.941 -19.393 16.118 1.00 0.00 C ATOM 430 CG2 VAL A 153 27.784 -21.295 17.728 1.00 0.00 C ATOM 0 H VAL A 153 24.903 -20.115 16.618 1.00 0.00 H new ATOM 0 HA VAL A 153 26.155 -20.646 14.797 1.00 0.00 H new ATOM 0 HB VAL A 153 28.511 -21.432 15.708 1.00 0.00 H new ATOM 0 HG11 VAL A 153 28.911 -19.124 16.537 1.00 0.00 H new ATOM 0 HG12 VAL A 153 27.910 -19.112 15.065 1.00 0.00 H new ATOM 0 HG13 VAL A 153 27.154 -18.866 16.657 1.00 0.00 H new ATOM 0 HG21 VAL A 153 28.756 -21.024 18.140 1.00 0.00 H new ATOM 0 HG22 VAL A 153 27.000 -20.771 18.274 1.00 0.00 H new ATOM 0 HG23 VAL A 153 27.636 -22.371 17.824 1.00 0.00 H new ATOM 440 N GLY A 154 25.580 -23.038 14.184 1.00 0.00 N ATOM 441 CA GLY A 154 25.518 -24.394 13.653 1.00 0.00 C ATOM 442 C GLY A 154 26.816 -24.762 12.943 1.00 0.00 C ATOM 443 O GLY A 154 27.507 -25.701 13.338 1.00 0.00 O ATOM 0 H GLY A 154 24.963 -22.371 13.720 1.00 0.00 H new ATOM 0 HA2 GLY A 154 25.331 -25.098 14.464 1.00 0.00 H new ATOM 0 HA3 GLY A 154 24.682 -24.479 12.958 1.00 0.00 H new TER 447 GLY A 154