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 Set 1.1: A 143 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 144 THR OG1 : rot 180:sc= -0.445 USER MOD Single : A 128 GLN : amide:sc= -0.0237 K(o=-0.024,f=-1.9!) USER MOD Single : A 130 ASN : amide:sc= -1.6! K(o=-1.6!,f=-0.22) USER MOD Single : A 134 SER OG : rot 180:sc= -0.0893 USER MOD Single : A 140 CYS SG : rot 180:sc= 0 USER MOD Single : A 142 THR OG1 : rot 94:sc= 0.031 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 16.644 -17.248 -13.576 1.00 0.00 N ATOM 2 CA LEU A 125 16.157 -17.473 -14.932 1.00 0.00 C ATOM 3 C LEU A 125 14.637 -17.341 -14.984 1.00 0.00 C ATOM 4 O LEU A 125 14.078 -16.330 -14.560 1.00 0.00 O ATOM 5 CB LEU A 125 16.570 -18.865 -15.413 1.00 0.00 C ATOM 6 CG LEU A 125 16.367 -18.966 -16.925 1.00 0.00 C ATOM 7 CD1 LEU A 125 17.698 -18.714 -17.636 1.00 0.00 C ATOM 8 CD2 LEU A 125 15.859 -20.365 -17.279 1.00 0.00 C ATOM 0 HA LEU A 125 16.598 -16.720 -15.586 1.00 0.00 H new ATOM 0 HB2 LEU A 125 17.614 -19.052 -15.163 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.979 -19.627 -14.905 1.00 0.00 H new ATOM 0 HG LEU A 125 15.637 -18.222 -17.244 1.00 0.00 H new ATOM 0 HD11 LEU A 125 17.554 -18.786 -18.714 1.00 0.00 H new ATOM 0 HD12 LEU A 125 18.062 -17.718 -17.384 1.00 0.00 H new ATOM 0 HD13 LEU A 125 18.428 -19.458 -17.317 1.00 0.00 H new ATOM 0 HD21 LEU A 125 15.714 -20.438 -18.357 1.00 0.00 H new ATOM 0 HD22 LEU A 125 16.589 -21.109 -16.960 1.00 0.00 H new ATOM 0 HD23 LEU A 125 14.911 -20.547 -16.772 1.00 0.00 H new ATOM 20 N PHE A 126 13.974 -18.369 -15.507 1.00 0.00 N ATOM 21 CA PHE A 126 12.520 -18.354 -15.608 1.00 0.00 C ATOM 22 C PHE A 126 11.984 -19.761 -15.861 1.00 0.00 C ATOM 23 O PHE A 126 11.378 -20.027 -16.898 1.00 0.00 O ATOM 24 CB PHE A 126 12.088 -17.429 -16.749 1.00 0.00 C ATOM 25 CG PHE A 126 10.638 -17.046 -16.563 1.00 0.00 C ATOM 26 CD1 PHE A 126 10.284 -16.092 -15.602 1.00 0.00 C ATOM 27 CD2 PHE A 126 9.649 -17.644 -17.353 1.00 0.00 C ATOM 28 CE1 PHE A 126 8.941 -15.737 -15.430 1.00 0.00 C ATOM 29 CE2 PHE A 126 8.305 -17.288 -17.181 1.00 0.00 C ATOM 30 CZ PHE A 126 7.952 -16.335 -16.220 1.00 0.00 C ATOM 0 H PHE A 126 14.417 -19.216 -15.864 1.00 0.00 H new ATOM 0 HA PHE A 126 12.112 -17.987 -14.666 1.00 0.00 H new ATOM 0 HB2 PHE A 126 12.712 -16.536 -16.764 1.00 0.00 H new ATOM 0 HB3 PHE A 126 12.223 -17.929 -17.708 1.00 0.00 H new ATOM 0 HD1 PHE A 126 11.047 -15.630 -14.993 1.00 0.00 H new ATOM 0 HD2 PHE A 126 9.922 -18.380 -18.095 1.00 0.00 H new ATOM 0 HE1 PHE A 126 8.668 -15.002 -14.688 1.00 0.00 H new ATOM 0 HE2 PHE A 126 7.542 -17.749 -17.790 1.00 0.00 H new ATOM 0 HZ PHE A 126 6.916 -16.060 -16.087 1.00 0.00 H new ATOM 40 N PRO A 127 12.199 -20.655 -14.934 1.00 0.00 N ATOM 41 CA PRO A 127 11.732 -22.065 -15.052 1.00 0.00 C ATOM 42 C PRO A 127 10.230 -22.198 -14.807 1.00 0.00 C ATOM 43 O PRO A 127 9.500 -21.206 -14.815 1.00 0.00 O ATOM 44 CB PRO A 127 12.532 -22.799 -13.976 1.00 0.00 C ATOM 45 CG PRO A 127 12.852 -21.766 -12.946 1.00 0.00 C ATOM 46 CD PRO A 127 12.913 -20.419 -13.669 1.00 0.00 C ATOM 0 HA PRO A 127 11.887 -22.467 -16.053 1.00 0.00 H new ATOM 0 HB2 PRO A 127 11.954 -23.617 -13.546 1.00 0.00 H new ATOM 0 HB3 PRO A 127 13.441 -23.235 -14.391 1.00 0.00 H new ATOM 0 HG2 PRO A 127 12.091 -21.751 -12.165 1.00 0.00 H new ATOM 0 HG3 PRO A 127 13.803 -21.987 -12.460 1.00 0.00 H new ATOM 0 HD2 PRO A 127 12.438 -19.631 -13.084 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.943 -20.108 -13.845 1.00 0.00 H new ATOM 54 N GLN A 128 9.775 -23.429 -14.592 1.00 0.00 N ATOM 55 CA GLN A 128 8.359 -23.679 -14.351 1.00 0.00 C ATOM 56 C GLN A 128 8.005 -23.423 -12.888 1.00 0.00 C ATOM 57 O GLN A 128 7.034 -22.730 -12.587 1.00 0.00 O ATOM 58 CB GLN A 128 8.016 -25.126 -14.713 1.00 0.00 C ATOM 59 CG GLN A 128 6.496 -25.291 -14.776 1.00 0.00 C ATOM 60 CD GLN A 128 6.134 -26.773 -14.783 1.00 0.00 C ATOM 61 OE1 GLN A 128 7.015 -27.628 -14.703 1.00 0.00 O ATOM 62 NE2 GLN A 128 4.882 -27.128 -14.878 1.00 0.00 N ATOM 0 H GLN A 128 10.362 -24.263 -14.580 1.00 0.00 H new ATOM 0 HA GLN A 128 7.781 -22.998 -14.976 1.00 0.00 H new ATOM 0 HB2 GLN A 128 8.461 -25.387 -15.673 1.00 0.00 H new ATOM 0 HB3 GLN A 128 8.436 -25.806 -13.972 1.00 0.00 H new ATOM 0 HG2 GLN A 128 6.032 -24.799 -13.921 1.00 0.00 H new ATOM 0 HG3 GLN A 128 6.106 -24.808 -15.672 1.00 0.00 H new ATOM 0 HE21 GLN A 128 4.154 -26.417 -14.944 1.00 0.00 H new ATOM 0 HE22 GLN A 128 4.631 -28.117 -14.886 1.00 0.00 H new ATOM 71 N ILE A 129 8.800 -23.986 -11.983 1.00 0.00 N ATOM 72 CA ILE A 129 8.557 -23.809 -10.556 1.00 0.00 C ATOM 73 C ILE A 129 9.198 -22.513 -10.058 1.00 0.00 C ATOM 74 O ILE A 129 9.638 -22.421 -8.913 1.00 0.00 O ATOM 75 CB ILE A 129 9.106 -25.009 -9.769 1.00 0.00 C ATOM 76 CG1 ILE A 129 10.405 -25.513 -10.410 1.00 0.00 C ATOM 77 CG2 ILE A 129 8.072 -26.136 -9.781 1.00 0.00 C ATOM 78 CD1 ILE A 129 11.403 -24.361 -10.539 1.00 0.00 C ATOM 0 H ILE A 129 9.610 -24.563 -12.209 1.00 0.00 H new ATOM 0 HA ILE A 129 7.481 -23.746 -10.395 1.00 0.00 H new ATOM 0 HB ILE A 129 9.310 -24.698 -8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 129 10.834 -26.311 -9.804 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.196 -25.936 -11.392 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.458 -26.990 -9.224 1.00 0.00 H new ATOM 0 HG22 ILE A 129 7.149 -25.788 -9.318 1.00 0.00 H new ATOM 0 HG23 ILE A 129 7.872 -26.435 -10.810 1.00 0.00 H new ATOM 0 HD11 ILE A 129 12.323 -24.726 -10.995 1.00 0.00 H new ATOM 0 HD12 ILE A 129 10.975 -23.577 -11.164 1.00 0.00 H new ATOM 0 HD13 ILE A 129 11.623 -23.958 -9.550 1.00 0.00 H new ATOM 90 N ASN A 130 9.244 -21.513 -10.932 1.00 0.00 N ATOM 91 CA ASN A 130 9.830 -20.227 -10.572 1.00 0.00 C ATOM 92 C ASN A 130 8.969 -19.517 -9.533 1.00 0.00 C ATOM 93 O ASN A 130 9.465 -18.698 -8.758 1.00 0.00 O ATOM 94 CB ASN A 130 9.959 -19.346 -11.817 1.00 0.00 C ATOM 95 CG ASN A 130 8.685 -18.532 -12.014 1.00 0.00 C ATOM 96 OD1 ASN A 130 7.837 -18.893 -12.831 1.00 0.00 O ATOM 97 ND2 ASN A 130 8.498 -17.449 -11.312 1.00 0.00 N ATOM 0 H ASN A 130 8.886 -21.567 -11.886 1.00 0.00 H new ATOM 0 HA ASN A 130 10.818 -20.406 -10.148 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.814 -18.679 -11.713 1.00 0.00 H new ATOM 0 HB3 ASN A 130 10.143 -19.966 -12.694 1.00 0.00 H new ATOM 0 HD21 ASN A 130 7.648 -16.899 -11.439 1.00 0.00 H new ATOM 0 HD22 ASN A 130 9.201 -17.152 -10.636 1.00 0.00 H new ATOM 104 N PHE A 131 7.679 -19.836 -9.521 1.00 0.00 N ATOM 105 CA PHE A 131 6.760 -19.222 -8.570 1.00 0.00 C ATOM 106 C PHE A 131 7.177 -19.540 -7.139 1.00 0.00 C ATOM 107 O PHE A 131 7.291 -18.645 -6.301 1.00 0.00 O ATOM 108 CB PHE A 131 5.338 -19.733 -8.815 1.00 0.00 C ATOM 109 CG PHE A 131 5.079 -19.810 -10.301 1.00 0.00 C ATOM 110 CD1 PHE A 131 4.884 -18.635 -11.039 1.00 0.00 C ATOM 111 CD2 PHE A 131 5.032 -21.054 -10.940 1.00 0.00 C ATOM 112 CE1 PHE A 131 4.644 -18.707 -12.416 1.00 0.00 C ATOM 113 CE2 PHE A 131 4.792 -21.125 -12.317 1.00 0.00 C ATOM 114 CZ PHE A 131 4.598 -19.952 -13.055 1.00 0.00 C ATOM 0 H PHE A 131 7.249 -20.511 -10.154 1.00 0.00 H new ATOM 0 HA PHE A 131 6.788 -18.142 -8.712 1.00 0.00 H new ATOM 0 HB2 PHE A 131 5.210 -20.716 -8.362 1.00 0.00 H new ATOM 0 HB3 PHE A 131 4.615 -19.068 -8.343 1.00 0.00 H new ATOM 0 HD1 PHE A 131 4.919 -17.675 -10.546 1.00 0.00 H new ATOM 0 HD2 PHE A 131 5.181 -21.959 -10.371 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.494 -17.802 -12.986 1.00 0.00 H new ATOM 0 HE2 PHE A 131 4.757 -22.085 -12.810 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.413 -20.007 -14.118 1.00 0.00 H new ATOM 124 N LEU A 132 7.405 -20.820 -6.864 1.00 0.00 N ATOM 125 CA LEU A 132 7.811 -21.245 -5.530 1.00 0.00 C ATOM 126 C LEU A 132 9.149 -20.620 -5.152 1.00 0.00 C ATOM 127 O LEU A 132 9.442 -20.420 -3.973 1.00 0.00 O ATOM 128 CB LEU A 132 7.924 -22.770 -5.480 1.00 0.00 C ATOM 129 CG LEU A 132 7.662 -23.255 -4.052 1.00 0.00 C ATOM 130 CD1 LEU A 132 6.163 -23.492 -3.860 1.00 0.00 C ATOM 131 CD2 LEU A 132 8.420 -24.561 -3.811 1.00 0.00 C ATOM 0 H LEU A 132 7.316 -21.576 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 132 7.055 -20.914 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 132 7.207 -23.221 -6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 132 8.916 -23.083 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 132 8.003 -22.500 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 132 5.977 -23.837 -2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 132 5.623 -22.561 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.820 -24.247 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 132 8.234 -24.907 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 132 8.079 -25.316 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 132 9.488 -24.392 -3.947 1.00 0.00 H new ATOM 143 N GLY A 133 9.960 -20.314 -6.161 1.00 0.00 N ATOM 144 CA GLY A 133 11.266 -19.712 -5.924 1.00 0.00 C ATOM 145 C GLY A 133 11.122 -18.325 -5.307 1.00 0.00 C ATOM 146 O GLY A 133 11.976 -17.884 -4.537 1.00 0.00 O ATOM 0 H GLY A 133 9.737 -20.472 -7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 133 11.850 -20.350 -5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.814 -19.641 -6.863 1.00 0.00 H new ATOM 150 N SER A 134 10.037 -17.638 -5.653 1.00 0.00 N ATOM 151 CA SER A 134 9.791 -16.301 -5.128 1.00 0.00 C ATOM 152 C SER A 134 9.526 -16.355 -3.627 1.00 0.00 C ATOM 153 O SER A 134 10.131 -15.613 -2.853 1.00 0.00 O ATOM 154 CB SER A 134 8.592 -15.675 -5.837 1.00 0.00 C ATOM 155 OG SER A 134 7.627 -15.278 -4.868 1.00 0.00 O ATOM 0 H SER A 134 9.319 -17.983 -6.290 1.00 0.00 H new ATOM 0 HA SER A 134 10.677 -15.692 -5.307 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.911 -14.813 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.153 -16.390 -6.533 1.00 0.00 H new ATOM 0 HG SER A 134 6.857 -14.874 -5.320 1.00 0.00 H new ATOM 161 N LEU A 135 8.620 -17.239 -3.222 1.00 0.00 N ATOM 162 CA LEU A 135 8.283 -17.382 -1.811 1.00 0.00 C ATOM 163 C LEU A 135 9.476 -17.920 -1.027 1.00 0.00 C ATOM 164 O LEU A 135 9.625 -17.643 0.163 1.00 0.00 O ATOM 165 CB LEU A 135 7.094 -18.330 -1.650 1.00 0.00 C ATOM 166 CG LEU A 135 5.977 -17.917 -2.610 1.00 0.00 C ATOM 167 CD1 LEU A 135 4.786 -18.863 -2.445 1.00 0.00 C ATOM 168 CD2 LEU A 135 5.538 -16.486 -2.294 1.00 0.00 C ATOM 0 H LEU A 135 8.109 -17.863 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 135 8.018 -16.400 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.403 -19.355 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.732 -18.305 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 135 6.342 -17.968 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.990 -18.569 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.098 -19.883 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.420 -18.812 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.742 -16.190 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.173 -16.436 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.386 -15.811 -2.411 1.00 0.00 H new ATOM 180 N LEU A 136 10.323 -18.688 -1.704 1.00 0.00 N ATOM 181 CA LEU A 136 11.501 -19.260 -1.061 1.00 0.00 C ATOM 182 C LEU A 136 12.458 -18.159 -0.619 1.00 0.00 C ATOM 183 O LEU A 136 12.886 -18.121 0.535 1.00 0.00 O ATOM 184 CB LEU A 136 12.217 -20.205 -2.028 1.00 0.00 C ATOM 185 CG LEU A 136 12.489 -21.539 -1.331 1.00 0.00 C ATOM 186 CD1 LEU A 136 13.237 -22.470 -2.287 1.00 0.00 C ATOM 187 CD2 LEU A 136 13.342 -21.298 -0.084 1.00 0.00 C ATOM 0 H LEU A 136 10.218 -18.928 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 136 11.177 -19.818 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.606 -20.365 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 136 13.154 -19.759 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 136 11.543 -21.997 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 136 13.431 -23.421 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.631 -22.642 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 136 14.183 -22.011 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 136 13.536 -22.248 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 136 14.288 -20.840 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 136 12.811 -20.634 0.598 1.00 0.00 H new ATOM 199 N ILE A 137 12.789 -17.263 -1.543 1.00 0.00 N ATOM 200 CA ILE A 137 13.697 -16.164 -1.238 1.00 0.00 C ATOM 201 C ILE A 137 13.048 -15.188 -0.262 1.00 0.00 C ATOM 202 O ILE A 137 13.679 -14.744 0.696 1.00 0.00 O ATOM 203 CB ILE A 137 14.076 -15.427 -2.524 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.732 -16.407 -3.498 1.00 0.00 C ATOM 205 CG2 ILE A 137 15.059 -14.301 -2.196 1.00 0.00 C ATOM 206 CD1 ILE A 137 14.786 -15.782 -4.893 1.00 0.00 C ATOM 0 H ILE A 137 12.445 -17.276 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 137 14.595 -16.577 -0.778 1.00 0.00 H new ATOM 0 HB ILE A 137 13.179 -15.006 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 137 15.738 -16.654 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.168 -17.339 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 137 15.329 -13.776 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 137 14.593 -13.602 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 137 15.956 -14.722 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 137 15.254 -16.481 -5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.774 -15.558 -5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.369 -14.862 -4.857 1.00 0.00 H new ATOM 218 N ALA A 138 11.785 -14.859 -0.513 1.00 0.00 N ATOM 219 CA ALA A 138 11.061 -13.935 0.350 1.00 0.00 C ATOM 220 C ALA A 138 11.073 -14.429 1.794 1.00 0.00 C ATOM 221 O ALA A 138 11.033 -13.635 2.733 1.00 0.00 O ATOM 222 CB ALA A 138 9.616 -13.794 -0.131 1.00 0.00 C ATOM 0 H ALA A 138 11.245 -15.216 -1.302 1.00 0.00 H new ATOM 0 HA ALA A 138 11.554 -12.964 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 138 9.082 -13.102 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 138 9.608 -13.412 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 138 9.127 -14.768 -0.104 1.00 0.00 H new ATOM 228 N GLY A 139 11.127 -15.747 1.963 1.00 0.00 N ATOM 229 CA GLY A 139 11.142 -16.336 3.296 1.00 0.00 C ATOM 230 C GLY A 139 12.533 -16.244 3.916 1.00 0.00 C ATOM 231 O GLY A 139 12.685 -16.332 5.134 1.00 0.00 O ATOM 0 H GLY A 139 11.161 -16.422 1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 139 10.421 -15.823 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 139 10.833 -17.380 3.240 1.00 0.00 H new ATOM 235 N CYS A 140 13.542 -16.064 3.070 1.00 0.00 N ATOM 236 CA CYS A 140 14.916 -15.960 3.547 1.00 0.00 C ATOM 237 C CYS A 140 15.098 -14.698 4.385 1.00 0.00 C ATOM 238 O CYS A 140 15.946 -14.651 5.276 1.00 0.00 O ATOM 239 CB CYS A 140 15.880 -15.930 2.359 1.00 0.00 C ATOM 240 SG CYS A 140 17.380 -16.854 2.775 1.00 0.00 S ATOM 0 H CYS A 140 13.436 -15.988 2.058 1.00 0.00 H new ATOM 0 HA CYS A 140 15.132 -16.829 4.168 1.00 0.00 H new ATOM 0 HB2 CYS A 140 15.404 -16.365 1.480 1.00 0.00 H new ATOM 0 HB3 CYS A 140 16.133 -14.900 2.108 1.00 0.00 H new ATOM 0 HG CYS A 140 18.198 -16.830 1.765 1.00 0.00 H new ATOM 246 N ILE A 141 14.298 -13.680 4.093 1.00 0.00 N ATOM 247 CA ILE A 141 14.379 -12.421 4.825 1.00 0.00 C ATOM 248 C ILE A 141 14.006 -12.630 6.290 1.00 0.00 C ATOM 249 O ILE A 141 14.360 -11.825 7.151 1.00 0.00 O ATOM 250 CB ILE A 141 13.441 -11.390 4.199 1.00 0.00 C ATOM 251 CG1 ILE A 141 13.860 -11.135 2.749 1.00 0.00 C ATOM 252 CG2 ILE A 141 13.520 -10.082 4.988 1.00 0.00 C ATOM 253 CD1 ILE A 141 12.736 -10.403 2.014 1.00 0.00 C ATOM 0 H ILE A 141 13.590 -13.700 3.359 1.00 0.00 H new ATOM 0 HA ILE A 141 15.405 -12.056 4.771 1.00 0.00 H new ATOM 0 HB ILE A 141 12.419 -11.768 4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 141 14.773 -10.541 2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 141 14.080 -12.080 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 141 12.851 -9.347 4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 141 13.224 -10.262 6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 141 14.542 -9.704 4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 141 13.034 -10.221 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 141 11.833 -11.014 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 141 12.538 -9.451 2.507 1.00 0.00 H new ATOM 265 N THR A 142 13.287 -13.714 6.564 1.00 0.00 N ATOM 266 CA THR A 142 12.871 -14.018 7.927 1.00 0.00 C ATOM 267 C THR A 142 14.086 -14.208 8.829 1.00 0.00 C ATOM 268 O THR A 142 14.329 -13.411 9.736 1.00 0.00 O ATOM 269 CB THR A 142 12.018 -15.289 7.943 1.00 0.00 C ATOM 270 OG1 THR A 142 10.822 -15.063 7.210 1.00 0.00 O ATOM 271 CG2 THR A 142 11.674 -15.658 9.386 1.00 0.00 C ATOM 0 H THR A 142 12.982 -14.392 5.865 1.00 0.00 H new ATOM 0 HA THR A 142 12.282 -13.181 8.301 1.00 0.00 H new ATOM 0 HB THR A 142 12.575 -16.107 7.486 1.00 0.00 H new ATOM 0 HG1 THR A 142 10.947 -15.353 6.282 1.00 0.00 H new ATOM 0 HG21 THR A 142 11.067 -16.563 9.395 1.00 0.00 H new ATOM 0 HG22 THR A 142 12.593 -15.832 9.946 1.00 0.00 H new ATOM 0 HG23 THR A 142 11.117 -14.843 9.847 1.00 0.00 H new ATOM 279 N SER A 143 14.846 -15.267 8.575 1.00 0.00 N ATOM 280 CA SER A 143 16.034 -15.553 9.371 1.00 0.00 C ATOM 281 C SER A 143 17.247 -14.819 8.805 1.00 0.00 C ATOM 282 O SER A 143 17.426 -14.744 7.589 1.00 0.00 O ATOM 283 CB SER A 143 16.306 -17.057 9.385 1.00 0.00 C ATOM 284 OG SER A 143 17.041 -17.411 8.220 1.00 0.00 O ATOM 0 H SER A 143 14.663 -15.938 7.829 1.00 0.00 H new ATOM 0 HA SER A 143 15.857 -15.208 10.390 1.00 0.00 H new ATOM 0 HB2 SER A 143 16.866 -17.329 10.279 1.00 0.00 H new ATOM 0 HB3 SER A 143 15.366 -17.608 9.418 1.00 0.00 H new ATOM 0 HG SER A 143 17.219 -18.375 8.226 1.00 0.00 H new ATOM 290 N THR A 144 18.075 -14.283 9.694 1.00 0.00 N ATOM 291 CA THR A 144 19.269 -13.558 9.273 1.00 0.00 C ATOM 292 C THR A 144 18.885 -12.283 8.529 1.00 0.00 C ATOM 293 O THR A 144 17.767 -12.155 8.031 1.00 0.00 O ATOM 294 CB THR A 144 20.123 -14.444 8.363 1.00 0.00 C ATOM 295 OG1 THR A 144 19.851 -15.809 8.644 1.00 0.00 O ATOM 296 CG2 THR A 144 21.603 -14.155 8.611 1.00 0.00 C ATOM 0 H THR A 144 17.944 -14.336 10.704 1.00 0.00 H new ATOM 0 HA THR A 144 19.842 -13.290 10.161 1.00 0.00 H new ATOM 0 HB THR A 144 19.884 -14.233 7.321 1.00 0.00 H new ATOM 0 HG1 THR A 144 20.396 -16.378 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 144 22.211 -14.786 7.963 1.00 0.00 H new ATOM 0 HG22 THR A 144 21.810 -13.107 8.395 1.00 0.00 H new ATOM 0 HG23 THR A 144 21.845 -14.365 9.653 1.00 0.00 H new ATOM 304 N ASP A 145 19.821 -11.341 8.459 1.00 0.00 N ATOM 305 CA ASP A 145 19.570 -10.078 7.775 1.00 0.00 C ATOM 306 C ASP A 145 20.865 -9.511 7.199 1.00 0.00 C ATOM 307 O ASP A 145 21.288 -8.413 7.561 1.00 0.00 O ATOM 308 CB ASP A 145 18.958 -9.069 8.748 1.00 0.00 C ATOM 309 CG ASP A 145 17.610 -9.577 9.247 1.00 0.00 C ATOM 310 OD1 ASP A 145 16.635 -9.403 8.537 1.00 0.00 O1- ATOM 311 OD2 ASP A 145 17.573 -10.133 10.332 1.00 0.00 O ATOM 0 H ASP A 145 20.753 -11.427 8.864 1.00 0.00 H new ATOM 0 HA ASP A 145 18.873 -10.263 6.957 1.00 0.00 H new ATOM 0 HB2 ASP A 145 19.631 -8.910 9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 145 18.833 -8.105 8.254 1.00 0.00 H new ATOM 316 N PRO A 146 21.495 -10.237 6.316 1.00 0.00 N ATOM 317 CA PRO A 146 22.770 -9.804 5.676 1.00 0.00 C ATOM 318 C PRO A 146 22.547 -8.705 4.641 1.00 0.00 C ATOM 319 O PRO A 146 21.503 -8.652 3.992 1.00 0.00 O ATOM 320 CB PRO A 146 23.296 -11.078 5.016 1.00 0.00 C ATOM 321 CG PRO A 146 22.090 -11.919 4.759 1.00 0.00 C ATOM 322 CD PRO A 146 21.060 -11.557 5.830 1.00 0.00 C ATOM 0 HA PRO A 146 23.466 -9.376 6.397 1.00 0.00 H new ATOM 0 HB2 PRO A 146 23.822 -10.852 4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 146 24.003 -11.594 5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 146 21.693 -11.730 3.762 1.00 0.00 H new ATOM 0 HG3 PRO A 146 22.341 -12.979 4.807 1.00 0.00 H new ATOM 0 HD2 PRO A 146 20.052 -11.517 5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 146 21.046 -12.293 6.634 1.00 0.00 H new ATOM 330 N VAL A 147 23.537 -7.830 4.492 1.00 0.00 N ATOM 331 CA VAL A 147 23.439 -6.736 3.532 1.00 0.00 C ATOM 332 C VAL A 147 24.196 -7.075 2.253 1.00 0.00 C ATOM 333 O VAL A 147 23.974 -6.464 1.208 1.00 0.00 O ATOM 334 CB VAL A 147 24.011 -5.454 4.141 1.00 0.00 C ATOM 335 CG1 VAL A 147 23.195 -5.066 5.376 1.00 0.00 C ATOM 336 CG2 VAL A 147 25.468 -5.690 4.546 1.00 0.00 C ATOM 0 H VAL A 147 24.410 -7.856 5.019 1.00 0.00 H new ATOM 0 HA VAL A 147 22.387 -6.585 3.289 1.00 0.00 H new ATOM 0 HB VAL A 147 23.962 -4.650 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 147 23.603 -4.153 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 147 22.157 -4.899 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 147 23.243 -5.869 6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 147 25.877 -4.778 4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 147 25.516 -6.494 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 147 26.050 -5.966 3.667 1.00 0.00 H new ATOM 346 N LEU A 148 25.091 -8.054 2.342 1.00 0.00 N ATOM 347 CA LEU A 148 25.875 -8.466 1.185 1.00 0.00 C ATOM 348 C LEU A 148 24.988 -9.156 0.154 1.00 0.00 C ATOM 349 O LEU A 148 24.824 -8.669 -0.964 1.00 0.00 O ATOM 350 CB LEU A 148 26.990 -9.421 1.623 1.00 0.00 C ATOM 351 CG LEU A 148 28.337 -8.895 1.125 1.00 0.00 C ATOM 352 CD1 LEU A 148 29.453 -9.836 1.585 1.00 0.00 C ATOM 353 CD2 LEU A 148 28.325 -8.829 -0.404 1.00 0.00 C ATOM 0 H LEU A 148 25.290 -8.573 3.197 1.00 0.00 H new ATOM 0 HA LEU A 148 26.314 -7.577 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 148 27.001 -9.510 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 148 26.807 -10.418 1.223 1.00 0.00 H new ATOM 0 HG LEU A 148 28.511 -7.898 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 148 30.413 -9.462 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 148 29.462 -9.885 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 148 29.279 -10.832 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 148 29.285 -8.454 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 148 28.152 -9.826 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 148 27.530 -8.160 -0.733 1.00 0.00 H new ATOM 365 N SER A 149 24.419 -10.295 0.539 1.00 0.00 N ATOM 366 CA SER A 149 23.549 -11.043 -0.361 1.00 0.00 C ATOM 367 C SER A 149 22.406 -10.164 -0.858 1.00 0.00 C ATOM 368 O SER A 149 21.903 -10.350 -1.966 1.00 0.00 O ATOM 369 CB SER A 149 22.977 -12.264 0.360 1.00 0.00 C ATOM 370 OG SER A 149 24.035 -13.160 0.676 1.00 0.00 O ATOM 0 H SER A 149 24.543 -10.716 1.459 1.00 0.00 H new ATOM 0 HA SER A 149 24.140 -11.369 -1.217 1.00 0.00 H new ATOM 0 HB2 SER A 149 22.462 -11.956 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 149 22.240 -12.761 -0.271 1.00 0.00 H new ATOM 0 HG SER A 149 23.673 -13.943 1.140 1.00 0.00 H new ATOM 376 N ALA A 150 22.002 -9.205 -0.032 1.00 0.00 N ATOM 377 CA ALA A 150 20.917 -8.301 -0.398 1.00 0.00 C ATOM 378 C ALA A 150 21.328 -7.419 -1.573 1.00 0.00 C ATOM 379 O ALA A 150 20.480 -6.860 -2.267 1.00 0.00 O ATOM 380 CB ALA A 150 20.544 -7.422 0.796 1.00 0.00 C ATOM 0 H ALA A 150 22.406 -9.034 0.889 1.00 0.00 H new ATOM 0 HA ALA A 150 20.054 -8.899 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 150 19.733 -6.750 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 150 20.221 -8.052 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 150 21.411 -6.836 1.101 1.00 0.00 H new ATOM 386 N LEU A 151 22.634 -7.299 -1.788 1.00 0.00 N ATOM 387 CA LEU A 151 23.147 -6.481 -2.881 1.00 0.00 C ATOM 388 C LEU A 151 22.837 -7.132 -4.227 1.00 0.00 C ATOM 389 O LEU A 151 22.844 -6.467 -5.264 1.00 0.00 O ATOM 390 CB LEU A 151 24.659 -6.302 -2.735 1.00 0.00 C ATOM 391 CG LEU A 151 25.109 -5.087 -3.548 1.00 0.00 C ATOM 392 CD1 LEU A 151 25.199 -3.865 -2.633 1.00 0.00 C ATOM 393 CD2 LEU A 151 26.485 -5.367 -4.160 1.00 0.00 C ATOM 0 H LEU A 151 23.352 -7.754 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 151 22.661 -5.506 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 151 24.920 -6.168 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 151 25.177 -7.197 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 151 24.388 -4.893 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 151 25.520 -2.999 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 151 24.221 -3.666 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 151 25.920 -4.057 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 151 26.808 -4.502 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 151 27.205 -5.560 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 151 26.423 -6.238 -4.812 1.00 0.00 H new ATOM 405 N ILE A 152 22.566 -8.431 -4.201 1.00 0.00 N ATOM 406 CA ILE A 152 22.255 -9.161 -5.427 1.00 0.00 C ATOM 407 C ILE A 152 20.878 -8.768 -5.948 1.00 0.00 C ATOM 408 O ILE A 152 20.573 -8.951 -7.127 1.00 0.00 O ATOM 409 CB ILE A 152 22.292 -10.667 -5.163 1.00 0.00 C ATOM 410 CG1 ILE A 152 22.575 -11.406 -6.471 1.00 0.00 C ATOM 411 CG2 ILE A 152 20.943 -11.122 -4.602 1.00 0.00 C ATOM 412 CD1 ILE A 152 24.086 -11.570 -6.649 1.00 0.00 C ATOM 0 H ILE A 152 22.555 -8.998 -3.353 1.00 0.00 H new ATOM 0 HA ILE A 152 23.002 -8.907 -6.179 1.00 0.00 H new ATOM 0 HB ILE A 152 23.078 -10.889 -4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 152 22.091 -12.383 -6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 152 22.157 -10.852 -7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 152 20.970 -12.195 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 152 20.741 -10.595 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 152 20.156 -10.900 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 152 24.287 -12.097 -7.582 1.00 0.00 H new ATOM 0 HD12 ILE A 152 24.558 -10.588 -6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 152 24.491 -12.142 -5.814 1.00 0.00 H new ATOM 424 N VAL A 153 20.047 -8.226 -5.063 1.00 0.00 N ATOM 425 CA VAL A 153 18.702 -7.810 -5.448 1.00 0.00 C ATOM 426 C VAL A 153 18.730 -7.073 -6.782 1.00 0.00 C ATOM 427 O VAL A 153 19.727 -6.444 -7.135 1.00 0.00 O ATOM 428 CB VAL A 153 18.110 -6.899 -4.371 1.00 0.00 C ATOM 429 CG1 VAL A 153 18.743 -5.510 -4.474 1.00 0.00 C ATOM 430 CG2 VAL A 153 16.598 -6.786 -4.575 1.00 0.00 C ATOM 0 H VAL A 153 20.278 -8.065 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 153 18.082 -8.700 -5.552 1.00 0.00 H new ATOM 0 HB VAL A 153 18.314 -7.319 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 153 18.322 -4.860 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 153 19.821 -5.590 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 153 18.538 -5.089 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 153 16.175 -6.137 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 153 16.394 -6.365 -5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 153 16.146 -7.775 -4.503 1.00 0.00 H new ATOM 440 N GLY A 154 17.628 -7.156 -7.521 1.00 0.00 N ATOM 441 CA GLY A 154 17.536 -6.492 -8.816 1.00 0.00 C ATOM 442 C GLY A 154 16.116 -6.562 -9.365 1.00 0.00 C ATOM 443 O GLY A 154 15.294 -5.682 -9.102 1.00 0.00 O ATOM 0 H GLY A 154 16.792 -7.673 -7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 154 17.841 -5.450 -8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 154 18.225 -6.960 -9.519 1.00 0.00 H new TER 447 GLY A 154