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= -0.0509 K(o=-0.051,f=-0.91) USER MOD Single : A 130 ASN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 134 SER OG : rot 92:sc= 1.3 USER MOD Single : A 140 CYS SG : rot 180:sc= 0 USER MOD Single : A 142 THR OG1 : rot 73:sc= 0.896 USER MOD Single : A 143 SER OG : rot -132:sc= 0.16 USER MOD Single : A 144 THR OG1 : rot 46:sc= 0.0127 USER MOD Single : A 149 SER OG : rot 90:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 6.545 -15.472 -19.200 1.00 0.00 N ATOM 2 CA LEU A 125 5.209 -15.649 -18.646 1.00 0.00 C ATOM 3 C LEU A 125 5.220 -15.410 -17.138 1.00 0.00 C ATOM 4 O LEU A 125 6.245 -15.034 -16.569 1.00 0.00 O ATOM 5 CB LEU A 125 4.707 -17.069 -18.937 1.00 0.00 C ATOM 6 CG LEU A 125 3.724 -17.050 -20.114 1.00 0.00 C ATOM 7 CD1 LEU A 125 2.433 -16.331 -19.710 1.00 0.00 C ATOM 8 CD2 LEU A 125 4.363 -16.323 -21.302 1.00 0.00 C ATOM 0 HA LEU A 125 4.542 -14.925 -19.113 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.550 -17.721 -19.167 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.219 -17.479 -18.053 1.00 0.00 H new ATOM 0 HG LEU A 125 3.487 -18.076 -20.396 1.00 0.00 H new ATOM 0 HD11 LEU A 125 1.742 -16.323 -20.553 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.974 -16.852 -18.869 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.663 -15.306 -19.420 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.665 -16.309 -22.139 1.00 0.00 H new ATOM 0 HD22 LEU A 125 4.605 -15.300 -21.015 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.274 -16.842 -21.599 1.00 0.00 H new ATOM 20 N PHE A 126 4.074 -15.632 -16.501 1.00 0.00 N ATOM 21 CA PHE A 126 3.962 -15.436 -15.058 1.00 0.00 C ATOM 22 C PHE A 126 3.217 -16.602 -14.417 1.00 0.00 C ATOM 23 O PHE A 126 2.087 -16.449 -13.951 1.00 0.00 O ATOM 24 CB PHE A 126 3.218 -14.132 -14.766 1.00 0.00 C ATOM 25 CG PHE A 126 2.110 -13.947 -15.777 1.00 0.00 C ATOM 26 CD1 PHE A 126 2.401 -13.436 -17.047 1.00 0.00 C ATOM 27 CD2 PHE A 126 0.795 -14.286 -15.442 1.00 0.00 C ATOM 28 CE1 PHE A 126 1.374 -13.264 -17.983 1.00 0.00 C ATOM 29 CE2 PHE A 126 -0.232 -14.114 -16.378 1.00 0.00 C ATOM 30 CZ PHE A 126 0.058 -13.602 -17.649 1.00 0.00 C ATOM 0 H PHE A 126 3.216 -15.945 -16.956 1.00 0.00 H new ATOM 0 HA PHE A 126 4.966 -15.384 -14.637 1.00 0.00 H new ATOM 0 HB2 PHE A 126 2.805 -14.155 -13.758 1.00 0.00 H new ATOM 0 HB3 PHE A 126 3.908 -13.290 -14.809 1.00 0.00 H new ATOM 0 HD1 PHE A 126 3.417 -13.175 -17.305 1.00 0.00 H new ATOM 0 HD2 PHE A 126 0.572 -14.680 -14.462 1.00 0.00 H new ATOM 0 HE1 PHE A 126 1.598 -12.870 -18.963 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -1.247 -14.376 -16.120 1.00 0.00 H new ATOM 0 HZ PHE A 126 -0.734 -13.468 -18.371 1.00 0.00 H new ATOM 40 N PRO A 127 3.828 -17.758 -14.386 1.00 0.00 N ATOM 41 CA PRO A 127 3.216 -18.977 -13.791 1.00 0.00 C ATOM 42 C PRO A 127 3.337 -19.000 -12.271 1.00 0.00 C ATOM 43 O PRO A 127 3.870 -18.069 -11.666 1.00 0.00 O ATOM 44 CB PRO A 127 4.017 -20.115 -14.422 1.00 0.00 C ATOM 45 CG PRO A 127 5.361 -19.536 -14.730 1.00 0.00 C ATOM 46 CD PRO A 127 5.173 -18.026 -14.919 1.00 0.00 C ATOM 0 HA PRO A 127 2.145 -19.040 -13.985 1.00 0.00 H new ATOM 0 HB2 PRO A 127 4.101 -20.961 -13.740 1.00 0.00 H new ATOM 0 HB3 PRO A 127 3.531 -20.482 -15.326 1.00 0.00 H new ATOM 0 HG2 PRO A 127 6.061 -19.738 -13.920 1.00 0.00 H new ATOM 0 HG3 PRO A 127 5.777 -19.987 -15.631 1.00 0.00 H new ATOM 0 HD2 PRO A 127 5.934 -17.460 -14.382 1.00 0.00 H new ATOM 0 HD3 PRO A 127 5.248 -17.744 -15.969 1.00 0.00 H new ATOM 54 N GLN A 128 2.837 -20.067 -11.658 1.00 0.00 N ATOM 55 CA GLN A 128 2.895 -20.201 -10.207 1.00 0.00 C ATOM 56 C GLN A 128 4.312 -20.540 -9.755 1.00 0.00 C ATOM 57 O GLN A 128 4.787 -20.036 -8.737 1.00 0.00 O ATOM 58 CB GLN A 128 1.933 -21.296 -9.743 1.00 0.00 C ATOM 59 CG GLN A 128 1.650 -22.253 -10.903 1.00 0.00 C ATOM 60 CD GLN A 128 0.962 -23.511 -10.386 1.00 0.00 C ATOM 61 OE1 GLN A 128 1.324 -24.027 -9.330 1.00 0.00 O ATOM 62 NE2 GLN A 128 -0.016 -24.037 -11.073 1.00 0.00 N ATOM 0 H GLN A 128 2.390 -20.847 -12.139 1.00 0.00 H new ATOM 0 HA GLN A 128 2.602 -19.250 -9.763 1.00 0.00 H new ATOM 0 HB2 GLN A 128 2.364 -21.842 -8.904 1.00 0.00 H new ATOM 0 HB3 GLN A 128 1.003 -20.851 -9.389 1.00 0.00 H new ATOM 0 HG2 GLN A 128 1.019 -21.762 -11.644 1.00 0.00 H new ATOM 0 HG3 GLN A 128 2.582 -22.518 -11.402 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -0.314 -23.606 -11.948 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -0.482 -24.879 -10.734 1.00 0.00 H new ATOM 71 N ILE A 129 4.981 -21.398 -10.518 1.00 0.00 N ATOM 72 CA ILE A 129 6.344 -21.799 -10.186 1.00 0.00 C ATOM 73 C ILE A 129 7.156 -20.597 -9.718 1.00 0.00 C ATOM 74 O ILE A 129 8.033 -20.721 -8.862 1.00 0.00 O ATOM 75 CB ILE A 129 7.015 -22.429 -11.406 1.00 0.00 C ATOM 76 CG1 ILE A 129 6.282 -23.720 -11.781 1.00 0.00 C ATOM 77 CG2 ILE A 129 8.474 -22.750 -11.078 1.00 0.00 C ATOM 78 CD1 ILE A 129 6.740 -24.184 -13.166 1.00 0.00 C ATOM 0 H ILE A 129 4.606 -21.826 -11.364 1.00 0.00 H new ATOM 0 HA ILE A 129 6.302 -22.530 -9.379 1.00 0.00 H new ATOM 0 HB ILE A 129 6.976 -21.731 -12.242 1.00 0.00 H new ATOM 0 HG12 ILE A 129 6.485 -24.494 -11.041 1.00 0.00 H new ATOM 0 HG13 ILE A 129 5.205 -23.553 -11.780 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.952 -23.199 -11.948 1.00 0.00 H new ATOM 0 HG22 ILE A 129 8.997 -21.832 -10.810 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.514 -23.448 -10.242 1.00 0.00 H new ATOM 0 HD11 ILE A 129 6.218 -25.103 -13.433 1.00 0.00 H new ATOM 0 HD12 ILE A 129 6.514 -23.412 -13.901 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.814 -24.368 -13.151 1.00 0.00 H new ATOM 90 N ASN A 130 6.860 -19.432 -10.287 1.00 0.00 N ATOM 91 CA ASN A 130 7.571 -18.212 -9.921 1.00 0.00 C ATOM 92 C ASN A 130 7.230 -17.801 -8.492 1.00 0.00 C ATOM 93 O ASN A 130 8.112 -17.457 -7.707 1.00 0.00 O ATOM 94 CB ASN A 130 7.198 -17.082 -10.882 1.00 0.00 C ATOM 95 CG ASN A 130 8.396 -16.163 -11.095 1.00 0.00 C ATOM 96 OD1 ASN A 130 8.353 -14.990 -10.723 1.00 0.00 O ATOM 97 ND2 ASN A 130 9.467 -16.627 -11.679 1.00 0.00 N ATOM 0 H ASN A 130 6.139 -19.307 -10.997 1.00 0.00 H new ATOM 0 HA ASN A 130 8.642 -18.405 -9.986 1.00 0.00 H new ATOM 0 HB2 ASN A 130 6.873 -17.497 -11.836 1.00 0.00 H new ATOM 0 HB3 ASN A 130 6.360 -16.513 -10.480 1.00 0.00 H new ATOM 0 HD21 ASN A 130 10.271 -16.018 -11.828 1.00 0.00 H new ATOM 0 HD22 ASN A 130 9.500 -17.599 -11.986 1.00 0.00 H new ATOM 104 N PHE A 131 5.943 -17.839 -8.163 1.00 0.00 N ATOM 105 CA PHE A 131 5.495 -17.467 -6.826 1.00 0.00 C ATOM 106 C PHE A 131 6.115 -18.387 -5.778 1.00 0.00 C ATOM 107 O PHE A 131 6.692 -17.923 -4.794 1.00 0.00 O ATOM 108 CB PHE A 131 3.970 -17.552 -6.744 1.00 0.00 C ATOM 109 CG PHE A 131 3.386 -16.160 -6.761 1.00 0.00 C ATOM 110 CD1 PHE A 131 3.359 -15.428 -7.953 1.00 0.00 C ATOM 111 CD2 PHE A 131 2.869 -15.602 -5.585 1.00 0.00 C ATOM 112 CE1 PHE A 131 2.818 -14.137 -7.970 1.00 0.00 C ATOM 113 CE2 PHE A 131 2.328 -14.312 -5.602 1.00 0.00 C ATOM 114 CZ PHE A 131 2.302 -13.579 -6.795 1.00 0.00 C ATOM 0 H PHE A 131 5.197 -18.121 -8.798 1.00 0.00 H new ATOM 0 HA PHE A 131 5.813 -16.443 -6.628 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.582 -18.131 -7.582 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.673 -18.071 -5.833 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.756 -15.859 -8.860 1.00 0.00 H new ATOM 0 HD2 PHE A 131 2.888 -16.168 -4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.799 -13.572 -8.890 1.00 0.00 H new ATOM 0 HE2 PHE A 131 1.930 -13.881 -4.695 1.00 0.00 H new ATOM 0 HZ PHE A 131 1.884 -12.583 -6.808 1.00 0.00 H new ATOM 124 N LEU A 132 5.992 -19.692 -5.996 1.00 0.00 N ATOM 125 CA LEU A 132 6.544 -20.668 -5.063 1.00 0.00 C ATOM 126 C LEU A 132 8.060 -20.525 -4.976 1.00 0.00 C ATOM 127 O LEU A 132 8.658 -20.774 -3.930 1.00 0.00 O ATOM 128 CB LEU A 132 6.189 -22.087 -5.521 1.00 0.00 C ATOM 129 CG LEU A 132 5.021 -22.633 -4.691 1.00 0.00 C ATOM 130 CD1 LEU A 132 5.469 -22.865 -3.244 1.00 0.00 C ATOM 131 CD2 LEU A 132 3.865 -21.630 -4.712 1.00 0.00 C ATOM 0 H LEU A 132 5.519 -20.096 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 132 6.115 -20.486 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 132 5.922 -22.080 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 132 7.056 -22.739 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 132 4.692 -23.580 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.633 -23.253 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 132 6.287 -23.585 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.806 -21.923 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.035 -22.019 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 132 4.198 -20.682 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 132 3.537 -21.474 -5.740 1.00 0.00 H new ATOM 143 N GLY A 133 8.676 -20.120 -6.083 1.00 0.00 N ATOM 144 CA GLY A 133 10.123 -19.946 -6.121 1.00 0.00 C ATOM 145 C GLY A 133 10.535 -18.652 -5.428 1.00 0.00 C ATOM 146 O GLY A 133 11.566 -18.594 -4.759 1.00 0.00 O ATOM 0 H GLY A 133 8.199 -19.908 -6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.608 -20.793 -5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 133 10.464 -19.933 -7.156 1.00 0.00 H new ATOM 150 N SER A 134 9.722 -17.614 -5.595 1.00 0.00 N ATOM 151 CA SER A 134 10.012 -16.322 -4.982 1.00 0.00 C ATOM 152 C SER A 134 9.911 -16.416 -3.462 1.00 0.00 C ATOM 153 O SER A 134 10.541 -15.644 -2.741 1.00 0.00 O ATOM 154 CB SER A 134 9.033 -15.268 -5.496 1.00 0.00 C ATOM 155 OG SER A 134 9.082 -15.235 -6.917 1.00 0.00 O ATOM 0 H SER A 134 8.864 -17.641 -6.145 1.00 0.00 H new ATOM 0 HA SER A 134 11.028 -16.034 -5.251 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.022 -15.500 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 134 9.287 -14.289 -5.089 1.00 0.00 H new ATOM 0 HG SER A 134 8.409 -15.847 -7.282 1.00 0.00 H new ATOM 161 N LEU A 135 9.113 -17.366 -2.985 1.00 0.00 N ATOM 162 CA LEU A 135 8.937 -17.551 -1.550 1.00 0.00 C ATOM 163 C LEU A 135 10.239 -18.015 -0.905 1.00 0.00 C ATOM 164 O LEU A 135 10.508 -17.715 0.258 1.00 0.00 O ATOM 165 CB LEU A 135 7.838 -18.584 -1.287 1.00 0.00 C ATOM 166 CG LEU A 135 6.612 -17.886 -0.698 1.00 0.00 C ATOM 167 CD1 LEU A 135 6.097 -16.835 -1.685 1.00 0.00 C ATOM 168 CD2 LEU A 135 5.514 -18.920 -0.436 1.00 0.00 C ATOM 0 H LEU A 135 8.582 -18.015 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 135 8.649 -16.595 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.571 -19.090 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.200 -19.348 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 135 6.886 -17.400 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.223 -16.338 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 135 6.878 -16.098 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 135 5.823 -17.319 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.639 -18.423 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.241 -19.406 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.879 -19.668 0.268 1.00 0.00 H new ATOM 180 N LEU A 136 11.042 -18.749 -1.667 1.00 0.00 N ATOM 181 CA LEU A 136 12.314 -19.249 -1.160 1.00 0.00 C ATOM 182 C LEU A 136 13.253 -18.090 -0.841 1.00 0.00 C ATOM 183 O LEU A 136 13.913 -18.080 0.200 1.00 0.00 O ATOM 184 CB LEU A 136 12.968 -20.167 -2.203 1.00 0.00 C ATOM 185 CG LEU A 136 13.395 -21.491 -1.556 1.00 0.00 C ATOM 186 CD1 LEU A 136 14.311 -21.215 -0.361 1.00 0.00 C ATOM 187 CD2 LEU A 136 12.157 -22.260 -1.088 1.00 0.00 C ATOM 0 H LEU A 136 10.837 -19.010 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 136 12.125 -19.813 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 136 12.268 -20.361 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 136 13.835 -19.672 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 136 13.935 -22.089 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 136 14.610 -22.159 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 136 15.197 -20.678 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 136 13.778 -20.611 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 136 12.464 -23.200 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 136 11.611 -21.661 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 136 11.513 -22.467 -1.943 1.00 0.00 H new ATOM 199 N ILE A 137 13.308 -17.115 -1.742 1.00 0.00 N ATOM 200 CA ILE A 137 14.170 -15.954 -1.545 1.00 0.00 C ATOM 201 C ILE A 137 13.666 -15.103 -0.384 1.00 0.00 C ATOM 202 O ILE A 137 14.385 -14.873 0.587 1.00 0.00 O ATOM 203 CB ILE A 137 14.209 -15.110 -2.820 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.385 -16.028 -4.032 1.00 0.00 C ATOM 205 CG2 ILE A 137 15.382 -14.131 -2.750 1.00 0.00 C ATOM 206 CD1 ILE A 137 14.746 -15.190 -5.259 1.00 0.00 C ATOM 0 H ILE A 137 12.771 -17.104 -2.609 1.00 0.00 H new ATOM 0 HA ILE A 137 15.175 -16.307 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 137 13.277 -14.553 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 137 15.168 -16.761 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 137 13.466 -16.585 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 137 15.409 -13.530 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 137 15.259 -13.477 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.315 -14.687 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.871 -15.844 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.948 -14.475 -5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.676 -14.653 -5.072 1.00 0.00 H new ATOM 218 N ALA A 138 12.424 -14.639 -0.492 1.00 0.00 N ATOM 219 CA ALA A 138 11.834 -13.815 0.556 1.00 0.00 C ATOM 220 C ALA A 138 11.883 -14.538 1.899 1.00 0.00 C ATOM 221 O ALA A 138 12.097 -13.919 2.941 1.00 0.00 O ATOM 222 CB ALA A 138 10.382 -13.485 0.205 1.00 0.00 C ATOM 0 H ALA A 138 11.812 -14.818 -1.288 1.00 0.00 H new ATOM 0 HA ALA A 138 12.408 -12.892 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 138 9.948 -12.869 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 138 10.350 -12.942 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 138 9.811 -14.409 0.111 1.00 0.00 H new ATOM 228 N GLY A 139 11.683 -15.851 1.865 1.00 0.00 N ATOM 229 CA GLY A 139 11.707 -16.649 3.085 1.00 0.00 C ATOM 230 C GLY A 139 13.012 -16.442 3.847 1.00 0.00 C ATOM 231 O GLY A 139 13.093 -16.715 5.045 1.00 0.00 O ATOM 0 H GLY A 139 11.504 -16.382 1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 139 10.864 -16.376 3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 139 11.590 -17.704 2.836 1.00 0.00 H new ATOM 235 N CYS A 140 14.029 -15.957 3.144 1.00 0.00 N ATOM 236 CA CYS A 140 15.328 -15.717 3.765 1.00 0.00 C ATOM 237 C CYS A 140 15.224 -14.608 4.807 1.00 0.00 C ATOM 238 O CYS A 140 15.445 -14.839 5.996 1.00 0.00 O ATOM 239 CB CYS A 140 16.351 -15.324 2.699 1.00 0.00 C ATOM 240 SG CYS A 140 17.983 -15.150 3.464 1.00 0.00 S ATOM 0 H CYS A 140 13.982 -15.724 2.152 1.00 0.00 H new ATOM 0 HA CYS A 140 15.651 -16.634 4.257 1.00 0.00 H new ATOM 0 HB2 CYS A 140 16.384 -16.080 1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 140 16.057 -14.387 2.226 1.00 0.00 H new ATOM 0 HG CYS A 140 18.854 -14.818 2.558 1.00 0.00 H new ATOM 246 N ILE A 141 14.890 -13.404 4.353 1.00 0.00 N ATOM 247 CA ILE A 141 14.763 -12.268 5.257 1.00 0.00 C ATOM 248 C ILE A 141 13.624 -12.494 6.246 1.00 0.00 C ATOM 249 O ILE A 141 13.593 -11.894 7.320 1.00 0.00 O ATOM 250 CB ILE A 141 14.497 -10.992 4.456 1.00 0.00 C ATOM 251 CG1 ILE A 141 13.359 -11.241 3.464 1.00 0.00 C ATOM 252 CG2 ILE A 141 15.762 -10.597 3.691 1.00 0.00 C ATOM 253 CD1 ILE A 141 12.872 -9.906 2.897 1.00 0.00 C ATOM 0 H ILE A 141 14.704 -13.191 3.373 1.00 0.00 H new ATOM 0 HA ILE A 141 15.696 -12.163 5.811 1.00 0.00 H new ATOM 0 HB ILE A 141 14.217 -10.188 5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 141 13.702 -11.887 2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 141 12.538 -11.759 3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 141 15.573 -9.688 3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 141 16.574 -10.420 4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 141 16.042 -11.401 3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 141 12.061 -10.085 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 141 12.512 -9.275 3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 141 13.695 -9.406 2.386 1.00 0.00 H new ATOM 265 N THR A 142 12.689 -13.364 5.877 1.00 0.00 N ATOM 266 CA THR A 142 11.553 -13.663 6.740 1.00 0.00 C ATOM 267 C THR A 142 12.026 -14.253 8.064 1.00 0.00 C ATOM 268 O THR A 142 11.468 -13.959 9.121 1.00 0.00 O ATOM 269 CB THR A 142 10.615 -14.654 6.045 1.00 0.00 C ATOM 270 OG1 THR A 142 10.316 -14.183 4.738 1.00 0.00 O ATOM 271 CG2 THR A 142 9.322 -14.785 6.851 1.00 0.00 C ATOM 0 H THR A 142 12.695 -13.871 4.992 1.00 0.00 H new ATOM 0 HA THR A 142 11.018 -12.734 6.939 1.00 0.00 H new ATOM 0 HB THR A 142 11.099 -15.628 5.978 1.00 0.00 H new ATOM 0 HG1 THR A 142 11.103 -14.289 4.164 1.00 0.00 H new ATOM 0 HG21 THR A 142 8.655 -15.490 6.356 1.00 0.00 H new ATOM 0 HG22 THR A 142 9.553 -15.146 7.853 1.00 0.00 H new ATOM 0 HG23 THR A 142 8.836 -13.812 6.919 1.00 0.00 H new ATOM 279 N SER A 143 13.061 -15.086 7.999 1.00 0.00 N ATOM 280 CA SER A 143 13.602 -15.711 9.201 1.00 0.00 C ATOM 281 C SER A 143 12.479 -16.295 10.053 1.00 0.00 C ATOM 282 O SER A 143 11.495 -16.814 9.528 1.00 0.00 O ATOM 283 CB SER A 143 14.383 -14.681 10.018 1.00 0.00 C ATOM 284 OG SER A 143 15.298 -15.356 10.871 1.00 0.00 O ATOM 0 H SER A 143 13.538 -15.342 7.135 1.00 0.00 H new ATOM 0 HA SER A 143 14.270 -16.518 8.900 1.00 0.00 H new ATOM 0 HB2 SER A 143 14.919 -14.003 9.354 1.00 0.00 H new ATOM 0 HB3 SER A 143 13.698 -14.073 10.609 1.00 0.00 H new ATOM 0 HG SER A 143 15.227 -14.994 11.779 1.00 0.00 H new ATOM 290 N THR A 144 12.636 -16.207 11.369 1.00 0.00 N ATOM 291 CA THR A 144 11.628 -16.730 12.286 1.00 0.00 C ATOM 292 C THR A 144 10.237 -16.267 11.872 1.00 0.00 C ATOM 293 O THR A 144 10.018 -15.085 11.605 1.00 0.00 O ATOM 294 CB THR A 144 11.924 -16.261 13.712 1.00 0.00 C ATOM 295 OG1 THR A 144 12.254 -14.879 13.694 1.00 0.00 O ATOM 296 CG2 THR A 144 13.095 -17.059 14.282 1.00 0.00 C ATOM 0 H THR A 144 13.445 -15.782 11.823 1.00 0.00 H new ATOM 0 HA THR A 144 11.661 -17.819 12.250 1.00 0.00 H new ATOM 0 HB THR A 144 11.044 -16.418 14.336 1.00 0.00 H new ATOM 0 HG1 THR A 144 11.608 -14.396 13.138 1.00 0.00 H new ATOM 0 HG21 THR A 144 13.304 -16.723 15.298 1.00 0.00 H new ATOM 0 HG22 THR A 144 12.841 -18.119 14.295 1.00 0.00 H new ATOM 0 HG23 THR A 144 13.977 -16.905 13.660 1.00 0.00 H new ATOM 304 N ASP A 145 9.296 -17.204 11.822 1.00 0.00 N ATOM 305 CA ASP A 145 7.926 -16.881 11.439 1.00 0.00 C ATOM 306 C ASP A 145 7.083 -16.583 12.677 1.00 0.00 C ATOM 307 O ASP A 145 7.463 -16.934 13.795 1.00 0.00 O ATOM 308 CB ASP A 145 7.312 -18.049 10.667 1.00 0.00 C ATOM 309 CG ASP A 145 8.277 -19.230 10.653 1.00 0.00 C ATOM 310 OD1 ASP A 145 9.254 -19.159 9.926 1.00 0.00 O1- ATOM 311 OD2 ASP A 145 8.026 -20.185 11.368 1.00 0.00 O ATOM 0 H ASP A 145 9.455 -18.188 12.040 1.00 0.00 H new ATOM 0 HA ASP A 145 7.942 -15.996 10.803 1.00 0.00 H new ATOM 0 HB2 ASP A 145 6.369 -18.345 11.128 1.00 0.00 H new ATOM 0 HB3 ASP A 145 7.085 -17.742 9.646 1.00 0.00 H new ATOM 316 N PRO A 146 5.953 -15.948 12.500 1.00 0.00 N ATOM 317 CA PRO A 146 5.041 -15.601 13.629 1.00 0.00 C ATOM 318 C PRO A 146 4.374 -16.836 14.228 1.00 0.00 C ATOM 319 O PRO A 146 4.777 -17.966 13.953 1.00 0.00 O ATOM 320 CB PRO A 146 4.002 -14.674 12.992 1.00 0.00 C ATOM 321 CG PRO A 146 4.009 -15.009 11.538 1.00 0.00 C ATOM 322 CD PRO A 146 5.420 -15.491 11.205 1.00 0.00 C ATOM 0 HA PRO A 146 5.577 -15.138 14.457 1.00 0.00 H new ATOM 0 HB2 PRO A 146 3.015 -14.833 13.427 1.00 0.00 H new ATOM 0 HB3 PRO A 146 4.257 -13.627 13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 146 3.273 -15.782 11.315 1.00 0.00 H new ATOM 0 HG3 PRO A 146 3.746 -14.137 10.939 1.00 0.00 H new ATOM 0 HD2 PRO A 146 5.404 -16.298 10.472 1.00 0.00 H new ATOM 0 HD3 PRO A 146 6.027 -14.690 10.784 1.00 0.00 H new ATOM 330 N VAL A 147 3.351 -16.611 15.048 1.00 0.00 N ATOM 331 CA VAL A 147 2.635 -17.712 15.680 1.00 0.00 C ATOM 332 C VAL A 147 2.128 -18.695 14.629 1.00 0.00 C ATOM 333 O VAL A 147 1.605 -19.758 14.961 1.00 0.00 O ATOM 334 CB VAL A 147 1.456 -17.173 16.489 1.00 0.00 C ATOM 335 CG1 VAL A 147 1.973 -16.260 17.602 1.00 0.00 C ATOM 336 CG2 VAL A 147 0.529 -16.376 15.568 1.00 0.00 C ATOM 0 H VAL A 147 3.002 -15.683 15.288 1.00 0.00 H new ATOM 0 HA VAL A 147 3.323 -18.233 16.346 1.00 0.00 H new ATOM 0 HB VAL A 147 0.907 -18.006 16.928 1.00 0.00 H new ATOM 0 HG11 VAL A 147 1.131 -15.876 18.178 1.00 0.00 H new ATOM 0 HG12 VAL A 147 2.634 -16.825 18.258 1.00 0.00 H new ATOM 0 HG13 VAL A 147 2.522 -15.427 17.163 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -0.313 -15.991 16.144 1.00 0.00 H new ATOM 0 HG22 VAL A 147 1.080 -15.544 15.129 1.00 0.00 H new ATOM 0 HG23 VAL A 147 0.159 -17.025 14.774 1.00 0.00 H new ATOM 346 N LEU A 148 2.285 -18.330 13.361 1.00 0.00 N ATOM 347 CA LEU A 148 1.837 -19.187 12.269 1.00 0.00 C ATOM 348 C LEU A 148 2.703 -20.441 12.183 1.00 0.00 C ATOM 349 O LEU A 148 2.299 -21.447 11.600 1.00 0.00 O ATOM 350 CB LEU A 148 1.909 -18.425 10.943 1.00 0.00 C ATOM 351 CG LEU A 148 0.990 -19.094 9.920 1.00 0.00 C ATOM 352 CD1 LEU A 148 -0.405 -18.474 10.001 1.00 0.00 C ATOM 353 CD2 LEU A 148 1.560 -18.887 8.515 1.00 0.00 C ATOM 0 H LEU A 148 2.715 -17.454 13.065 1.00 0.00 H new ATOM 0 HA LEU A 148 0.806 -19.482 12.463 1.00 0.00 H new ATOM 0 HB2 LEU A 148 1.611 -17.387 11.091 1.00 0.00 H new ATOM 0 HB3 LEU A 148 2.934 -18.413 10.573 1.00 0.00 H new ATOM 0 HG LEU A 148 0.924 -20.161 10.134 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -1.059 -18.952 9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -0.811 -18.620 11.002 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -0.342 -17.407 9.787 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.907 -19.363 7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 148 1.626 -17.820 8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.554 -19.331 8.457 1.00 0.00 H new ATOM 365 N SER A 149 3.894 -20.372 12.769 1.00 0.00 N ATOM 366 CA SER A 149 4.808 -21.509 12.752 1.00 0.00 C ATOM 367 C SER A 149 4.136 -22.746 13.338 1.00 0.00 C ATOM 368 O SER A 149 4.541 -23.875 13.061 1.00 0.00 O ATOM 369 CB SER A 149 6.065 -21.180 13.558 1.00 0.00 C ATOM 370 OG SER A 149 7.171 -21.889 13.015 1.00 0.00 O ATOM 0 H SER A 149 4.247 -19.549 13.257 1.00 0.00 H new ATOM 0 HA SER A 149 5.083 -21.714 11.717 1.00 0.00 H new ATOM 0 HB2 SER A 149 6.258 -20.107 13.531 1.00 0.00 H new ATOM 0 HB3 SER A 149 5.922 -21.452 14.604 1.00 0.00 H new ATOM 0 HG SER A 149 7.605 -21.342 12.327 1.00 0.00 H new ATOM 376 N ALA A 150 3.105 -22.526 14.147 1.00 0.00 N ATOM 377 CA ALA A 150 2.382 -23.631 14.767 1.00 0.00 C ATOM 378 C ALA A 150 1.658 -24.458 13.709 1.00 0.00 C ATOM 379 O ALA A 150 1.303 -25.612 13.945 1.00 0.00 O ATOM 380 CB ALA A 150 1.369 -23.092 15.779 1.00 0.00 C ATOM 0 H ALA A 150 2.753 -21.599 14.388 1.00 0.00 H new ATOM 0 HA ALA A 150 3.102 -24.268 15.280 1.00 0.00 H new ATOM 0 HB1 ALA A 150 0.834 -23.924 16.237 1.00 0.00 H new ATOM 0 HB2 ALA A 150 1.891 -22.528 16.551 1.00 0.00 H new ATOM 0 HB3 ALA A 150 0.659 -22.440 15.271 1.00 0.00 H new ATOM 386 N LEU A 151 1.442 -23.857 12.543 1.00 0.00 N ATOM 387 CA LEU A 151 0.759 -24.548 11.455 1.00 0.00 C ATOM 388 C LEU A 151 1.639 -25.656 10.887 1.00 0.00 C ATOM 389 O LEU A 151 1.249 -26.824 10.869 1.00 0.00 O ATOM 390 CB LEU A 151 0.405 -23.555 10.347 1.00 0.00 C ATOM 391 CG LEU A 151 -0.880 -24.004 9.648 1.00 0.00 C ATOM 392 CD1 LEU A 151 -1.201 -23.043 8.503 1.00 0.00 C ATOM 393 CD2 LEU A 151 -0.688 -25.415 9.089 1.00 0.00 C ATOM 0 H LEU A 151 1.727 -22.902 12.328 1.00 0.00 H new ATOM 0 HA LEU A 151 -0.155 -24.993 11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 151 0.273 -22.558 10.767 1.00 0.00 H new ATOM 0 HB3 LEU A 151 1.220 -23.493 9.626 1.00 0.00 H new ATOM 0 HG LEU A 151 -1.702 -24.004 10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -2.116 -23.363 8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -1.336 -22.037 8.900 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -0.379 -23.043 7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -1.603 -25.736 8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 151 0.134 -25.414 8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -0.459 -26.101 9.904 1.00 0.00 H new ATOM 405 N ILE A 152 2.827 -25.283 10.424 1.00 0.00 N ATOM 406 CA ILE A 152 3.755 -26.254 9.856 1.00 0.00 C ATOM 407 C ILE A 152 4.335 -27.143 10.952 1.00 0.00 C ATOM 408 O ILE A 152 4.664 -28.305 10.712 1.00 0.00 O ATOM 409 CB ILE A 152 4.888 -25.531 9.128 1.00 0.00 C ATOM 410 CG1 ILE A 152 5.968 -26.542 8.736 1.00 0.00 C ATOM 411 CG2 ILE A 152 5.494 -24.472 10.051 1.00 0.00 C ATOM 412 CD1 ILE A 152 6.877 -25.929 7.670 1.00 0.00 C ATOM 0 H ILE A 152 3.169 -24.322 10.430 1.00 0.00 H new ATOM 0 HA ILE A 152 3.211 -26.878 9.147 1.00 0.00 H new ATOM 0 HB ILE A 152 4.496 -25.051 8.232 1.00 0.00 H new ATOM 0 HG12 ILE A 152 6.554 -26.822 9.611 1.00 0.00 H new ATOM 0 HG13 ILE A 152 5.507 -27.454 8.356 1.00 0.00 H new ATOM 0 HG21 ILE A 152 6.302 -23.956 9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 152 4.726 -23.752 10.332 1.00 0.00 H new ATOM 0 HG23 ILE A 152 5.887 -24.952 10.947 1.00 0.00 H new ATOM 0 HD11 ILE A 152 7.646 -26.649 7.390 1.00 0.00 H new ATOM 0 HD12 ILE A 152 6.285 -25.671 6.792 1.00 0.00 H new ATOM 0 HD13 ILE A 152 7.348 -25.030 8.067 1.00 0.00 H new ATOM 424 N VAL A 153 4.459 -26.589 12.153 1.00 0.00 N ATOM 425 CA VAL A 153 5.003 -27.340 13.278 1.00 0.00 C ATOM 426 C VAL A 153 3.878 -27.972 14.094 1.00 0.00 C ATOM 427 O VAL A 153 2.886 -27.315 14.412 1.00 0.00 O ATOM 428 CB VAL A 153 5.828 -26.416 14.173 1.00 0.00 C ATOM 429 CG1 VAL A 153 6.428 -27.224 15.326 1.00 0.00 C ATOM 430 CG2 VAL A 153 6.957 -25.787 13.352 1.00 0.00 C ATOM 0 H VAL A 153 4.192 -25.629 12.372 1.00 0.00 H new ATOM 0 HA VAL A 153 5.642 -28.132 12.887 1.00 0.00 H new ATOM 0 HB VAL A 153 5.187 -25.631 14.574 1.00 0.00 H new ATOM 0 HG11 VAL A 153 7.016 -26.565 15.964 1.00 0.00 H new ATOM 0 HG12 VAL A 153 5.626 -27.674 15.911 1.00 0.00 H new ATOM 0 HG13 VAL A 153 7.070 -28.009 14.925 1.00 0.00 H new ATOM 0 HG21 VAL A 153 7.546 -25.128 13.989 1.00 0.00 H new ATOM 0 HG22 VAL A 153 7.598 -26.573 12.952 1.00 0.00 H new ATOM 0 HG23 VAL A 153 6.532 -25.212 12.529 1.00 0.00 H new ATOM 440 N GLY A 154 4.040 -29.247 14.428 1.00 0.00 N ATOM 441 CA GLY A 154 3.032 -29.958 15.208 1.00 0.00 C ATOM 442 C GLY A 154 2.967 -29.419 16.632 1.00 0.00 C ATOM 443 O GLY A 154 3.513 -28.355 16.931 1.00 0.00 O ATOM 0 H GLY A 154 4.854 -29.807 14.173 1.00 0.00 H new ATOM 0 HA2 GLY A 154 2.057 -29.855 14.731 1.00 0.00 H new ATOM 0 HA3 GLY A 154 3.266 -31.022 15.228 1.00 0.00 H new TER 447 GLY A 154