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= -1.1 K(o=-1.1,f=-3.1!) USER MOD Single : A 130 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.73) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 140 CYS SG : rot 180:sc= 0 USER MOD Single : A 142 THR OG1 : rot 13:sc= -0.363! USER MOD Single : A 143 SER OG : rot 180:sc= -0.364 USER MOD Single : A 144 THR OG1 : rot 4:sc= 0.799 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 7.623 -10.690 -10.649 1.00 0.00 N ATOM 2 CA LEU A 125 6.902 -10.837 -9.390 1.00 0.00 C ATOM 3 C LEU A 125 5.531 -10.172 -9.475 1.00 0.00 C ATOM 4 O LEU A 125 5.427 -8.950 -9.576 1.00 0.00 O ATOM 5 CB LEU A 125 7.706 -10.206 -8.251 1.00 0.00 C ATOM 6 CG LEU A 125 7.938 -11.244 -7.152 1.00 0.00 C ATOM 7 CD1 LEU A 125 8.781 -10.628 -6.035 1.00 0.00 C ATOM 8 CD2 LEU A 125 6.589 -11.692 -6.582 1.00 0.00 C ATOM 0 HA LEU A 125 6.766 -11.901 -9.194 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.661 -9.839 -8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.171 -9.347 -7.847 1.00 0.00 H new ATOM 0 HG LEU A 125 8.462 -12.103 -7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 125 8.945 -11.369 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.741 -10.307 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.258 -9.768 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 125 6.753 -12.432 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.066 -10.831 -6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.986 -12.132 -7.377 1.00 0.00 H new ATOM 20 N PHE A 126 4.482 -10.988 -9.427 1.00 0.00 N ATOM 21 CA PHE A 126 3.117 -10.474 -9.493 1.00 0.00 C ATOM 22 C PHE A 126 2.101 -11.614 -9.431 1.00 0.00 C ATOM 23 O PHE A 126 1.132 -11.545 -8.674 1.00 0.00 O ATOM 24 CB PHE A 126 2.904 -9.664 -10.777 1.00 0.00 C ATOM 25 CG PHE A 126 2.484 -8.257 -10.422 1.00 0.00 C ATOM 26 CD1 PHE A 126 1.335 -8.045 -9.652 1.00 0.00 C ATOM 27 CD2 PHE A 126 3.241 -7.164 -10.865 1.00 0.00 C ATOM 28 CE1 PHE A 126 0.943 -6.741 -9.322 1.00 0.00 C ATOM 29 CE2 PHE A 126 2.849 -5.862 -10.537 1.00 0.00 C ATOM 30 CZ PHE A 126 1.700 -5.649 -9.765 1.00 0.00 C ATOM 0 H PHE A 126 4.550 -12.002 -9.343 1.00 0.00 H new ATOM 0 HA PHE A 126 2.967 -9.822 -8.632 1.00 0.00 H new ATOM 0 HB2 PHE A 126 3.823 -9.644 -11.363 1.00 0.00 H new ATOM 0 HB3 PHE A 126 2.142 -10.137 -11.396 1.00 0.00 H new ATOM 0 HD1 PHE A 126 0.750 -8.887 -9.312 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.127 -7.327 -11.460 1.00 0.00 H new ATOM 0 HE1 PHE A 126 0.057 -6.578 -8.726 1.00 0.00 H new ATOM 0 HE2 PHE A 126 3.433 -5.020 -10.879 1.00 0.00 H new ATOM 0 HZ PHE A 126 1.398 -4.644 -9.511 1.00 0.00 H new ATOM 40 N PRO A 127 2.296 -12.657 -10.204 1.00 0.00 N ATOM 41 CA PRO A 127 1.361 -13.823 -10.217 1.00 0.00 C ATOM 42 C PRO A 127 1.212 -14.452 -8.835 1.00 0.00 C ATOM 43 O PRO A 127 1.962 -14.133 -7.912 1.00 0.00 O ATOM 44 CB PRO A 127 2.006 -14.811 -11.196 1.00 0.00 C ATOM 45 CG PRO A 127 2.952 -14.003 -12.022 1.00 0.00 C ATOM 46 CD PRO A 127 3.414 -12.846 -11.142 1.00 0.00 C ATOM 0 HA PRO A 127 0.353 -13.529 -10.510 1.00 0.00 H new ATOM 0 HB2 PRO A 127 2.531 -15.604 -10.663 1.00 0.00 H new ATOM 0 HB3 PRO A 127 1.253 -15.291 -11.821 1.00 0.00 H new ATOM 0 HG2 PRO A 127 3.800 -14.608 -12.345 1.00 0.00 H new ATOM 0 HG3 PRO A 127 2.462 -13.634 -12.923 1.00 0.00 H new ATOM 0 HD2 PRO A 127 4.340 -13.085 -10.619 1.00 0.00 H new ATOM 0 HD3 PRO A 127 3.602 -11.947 -11.728 1.00 0.00 H new ATOM 54 N GLN A 128 0.239 -15.346 -8.699 1.00 0.00 N ATOM 55 CA GLN A 128 0.001 -16.014 -7.424 1.00 0.00 C ATOM 56 C GLN A 128 0.971 -17.177 -7.242 1.00 0.00 C ATOM 57 O GLN A 128 1.483 -17.405 -6.146 1.00 0.00 O ATOM 58 CB GLN A 128 -1.437 -16.531 -7.364 1.00 0.00 C ATOM 59 CG GLN A 128 -1.650 -17.297 -6.057 1.00 0.00 C ATOM 60 CD GLN A 128 -1.608 -18.799 -6.321 1.00 0.00 C ATOM 61 OE1 GLN A 128 -0.528 -19.387 -6.396 1.00 0.00 O ATOM 62 NE2 GLN A 128 -2.725 -19.458 -6.466 1.00 0.00 N ATOM 0 H GLN A 128 -0.394 -15.624 -9.449 1.00 0.00 H new ATOM 0 HA GLN A 128 0.159 -15.293 -6.622 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -2.137 -15.698 -7.428 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -1.637 -17.181 -8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -0.879 -17.024 -5.336 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -2.609 -17.023 -5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -3.618 -18.969 -6.403 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -2.705 -20.463 -6.642 1.00 0.00 H new ATOM 71 N ILE A 129 1.220 -17.908 -8.323 1.00 0.00 N ATOM 72 CA ILE A 129 2.130 -19.047 -8.270 1.00 0.00 C ATOM 73 C ILE A 129 3.570 -18.572 -8.112 1.00 0.00 C ATOM 74 O ILE A 129 4.450 -19.342 -7.729 1.00 0.00 O ATOM 75 CB ILE A 129 2.001 -19.878 -9.549 1.00 0.00 C ATOM 76 CG1 ILE A 129 0.530 -19.953 -9.960 1.00 0.00 C ATOM 77 CG2 ILE A 129 2.534 -21.288 -9.296 1.00 0.00 C ATOM 78 CD1 ILE A 129 0.353 -21.036 -11.025 1.00 0.00 C ATOM 0 H ILE A 129 0.808 -17.735 -9.240 1.00 0.00 H new ATOM 0 HA ILE A 129 1.865 -19.662 -7.410 1.00 0.00 H new ATOM 0 HB ILE A 129 2.578 -19.411 -10.347 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -0.090 -20.177 -9.092 1.00 0.00 H new ATOM 0 HG13 ILE A 129 0.200 -18.989 -10.348 1.00 0.00 H new ATOM 0 HG21 ILE A 129 2.442 -21.880 -10.206 1.00 0.00 H new ATOM 0 HG22 ILE A 129 3.582 -21.233 -9.002 1.00 0.00 H new ATOM 0 HG23 ILE A 129 1.958 -21.757 -8.498 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -0.695 -21.090 -11.318 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.961 -20.793 -11.896 1.00 0.00 H new ATOM 0 HD13 ILE A 129 0.667 -21.998 -10.621 1.00 0.00 H new ATOM 90 N ASN A 130 3.803 -17.296 -8.410 1.00 0.00 N ATOM 91 CA ASN A 130 5.142 -16.727 -8.297 1.00 0.00 C ATOM 92 C ASN A 130 5.566 -16.647 -6.834 1.00 0.00 C ATOM 93 O ASN A 130 6.756 -16.565 -6.527 1.00 0.00 O ATOM 94 CB ASN A 130 5.168 -15.329 -8.915 1.00 0.00 C ATOM 95 CG ASN A 130 5.718 -15.396 -10.336 1.00 0.00 C ATOM 96 OD1 ASN A 130 6.434 -14.493 -10.769 1.00 0.00 O ATOM 97 ND2 ASN A 130 5.425 -16.418 -11.092 1.00 0.00 N ATOM 0 H ASN A 130 3.088 -16.642 -8.729 1.00 0.00 H new ATOM 0 HA ASN A 130 5.839 -17.373 -8.831 1.00 0.00 H new ATOM 0 HB2 ASN A 130 4.163 -14.908 -8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 130 5.785 -14.666 -8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 130 5.789 -16.470 -12.043 1.00 0.00 H new ATOM 0 HD22 ASN A 130 4.832 -17.165 -10.732 1.00 0.00 H new ATOM 104 N PHE A 131 4.587 -16.671 -5.936 1.00 0.00 N ATOM 105 CA PHE A 131 4.872 -16.601 -4.508 1.00 0.00 C ATOM 106 C PHE A 131 5.733 -17.784 -4.074 1.00 0.00 C ATOM 107 O PHE A 131 6.456 -17.708 -3.083 1.00 0.00 O ATOM 108 CB PHE A 131 3.566 -16.598 -3.713 1.00 0.00 C ATOM 109 CG PHE A 131 3.828 -17.095 -2.311 1.00 0.00 C ATOM 110 CD1 PHE A 131 3.757 -18.464 -2.028 1.00 0.00 C ATOM 111 CD2 PHE A 131 4.139 -16.185 -1.293 1.00 0.00 C ATOM 112 CE1 PHE A 131 4.000 -18.923 -0.729 1.00 0.00 C ATOM 113 CE2 PHE A 131 4.383 -16.645 0.006 1.00 0.00 C ATOM 114 CZ PHE A 131 4.313 -18.015 0.289 1.00 0.00 C ATOM 0 H PHE A 131 3.596 -16.738 -6.169 1.00 0.00 H new ATOM 0 HA PHE A 131 5.418 -15.678 -4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.150 -15.591 -3.681 1.00 0.00 H new ATOM 0 HB3 PHE A 131 2.828 -17.233 -4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.515 -19.166 -2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.191 -15.128 -1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 131 3.946 -19.979 -0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 131 4.625 -15.943 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.500 -18.370 1.292 1.00 0.00 H new ATOM 124 N LEU A 132 5.646 -18.877 -4.826 1.00 0.00 N ATOM 125 CA LEU A 132 6.421 -20.072 -4.511 1.00 0.00 C ATOM 126 C LEU A 132 7.915 -19.774 -4.595 1.00 0.00 C ATOM 127 O LEU A 132 8.623 -19.810 -3.587 1.00 0.00 O ATOM 128 CB LEU A 132 6.065 -21.197 -5.491 1.00 0.00 C ATOM 129 CG LEU A 132 5.743 -22.488 -4.728 1.00 0.00 C ATOM 130 CD1 LEU A 132 6.910 -22.857 -3.811 1.00 0.00 C ATOM 131 CD2 LEU A 132 4.473 -22.291 -3.892 1.00 0.00 C ATOM 0 H LEU A 132 5.052 -18.960 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 132 6.180 -20.386 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 132 5.209 -20.902 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 132 6.896 -21.369 -6.175 1.00 0.00 H new ATOM 0 HG LEU A 132 5.583 -23.294 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 132 6.674 -23.775 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 132 7.809 -23.008 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 132 7.081 -22.051 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.247 -23.210 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 132 4.628 -21.480 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 132 3.640 -22.043 -4.549 1.00 0.00 H new ATOM 143 N GLY A 133 8.388 -19.482 -5.802 1.00 0.00 N ATOM 144 CA GLY A 133 9.799 -19.179 -6.005 1.00 0.00 C ATOM 145 C GLY A 133 10.242 -18.017 -5.124 1.00 0.00 C ATOM 146 O GLY A 133 11.381 -17.973 -4.660 1.00 0.00 O ATOM 0 H GLY A 133 7.820 -19.449 -6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.400 -20.060 -5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 133 9.975 -18.933 -7.052 1.00 0.00 H new ATOM 150 N SER A 134 9.331 -17.076 -4.896 1.00 0.00 N ATOM 151 CA SER A 134 9.637 -15.914 -4.066 1.00 0.00 C ATOM 152 C SER A 134 9.864 -16.338 -2.618 1.00 0.00 C ATOM 153 O SER A 134 10.671 -15.740 -1.906 1.00 0.00 O ATOM 154 CB SER A 134 8.488 -14.908 -4.132 1.00 0.00 C ATOM 155 OG SER A 134 8.975 -13.619 -3.780 1.00 0.00 O ATOM 0 H SER A 134 8.382 -17.094 -5.270 1.00 0.00 H new ATOM 0 HA SER A 134 10.547 -15.449 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.063 -14.888 -5.136 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.689 -15.206 -3.454 1.00 0.00 H new ATOM 0 HG SER A 134 8.242 -12.970 -3.822 1.00 0.00 H new ATOM 161 N LEU A 135 9.146 -17.370 -2.189 1.00 0.00 N ATOM 162 CA LEU A 135 9.278 -17.866 -0.823 1.00 0.00 C ATOM 163 C LEU A 135 10.667 -18.455 -0.603 1.00 0.00 C ATOM 164 O LEU A 135 11.190 -18.437 0.512 1.00 0.00 O ATOM 165 CB LEU A 135 8.211 -18.933 -0.553 1.00 0.00 C ATOM 166 CG LEU A 135 8.241 -19.349 0.925 1.00 0.00 C ATOM 167 CD1 LEU A 135 7.859 -18.163 1.817 1.00 0.00 C ATOM 168 CD2 LEU A 135 7.246 -20.489 1.148 1.00 0.00 C ATOM 0 H LEU A 135 8.471 -17.877 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 135 9.138 -17.034 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.225 -18.545 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.387 -19.802 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 135 9.248 -19.677 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 135 7.884 -18.471 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 135 8.566 -17.348 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 135 6.855 -17.825 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 135 7.264 -20.788 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 135 6.243 -20.154 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 135 7.521 -21.339 0.524 1.00 0.00 H new ATOM 180 N LEU A 136 11.259 -18.979 -1.671 1.00 0.00 N ATOM 181 CA LEU A 136 12.588 -19.573 -1.582 1.00 0.00 C ATOM 182 C LEU A 136 13.625 -18.516 -1.213 1.00 0.00 C ATOM 183 O LEU A 136 14.285 -18.615 -0.178 1.00 0.00 O ATOM 184 CB LEU A 136 12.965 -20.214 -2.918 1.00 0.00 C ATOM 185 CG LEU A 136 12.997 -21.737 -2.764 1.00 0.00 C ATOM 186 CD1 LEU A 136 11.617 -22.237 -2.337 1.00 0.00 C ATOM 187 CD2 LEU A 136 13.380 -22.376 -4.101 1.00 0.00 C ATOM 0 H LEU A 136 10.843 -19.005 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 136 12.571 -20.337 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 136 12.245 -19.931 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 136 13.939 -19.851 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 136 13.731 -22.010 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.641 -23.321 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 136 11.344 -21.782 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 136 10.881 -21.965 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 136 13.403 -23.460 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 136 12.646 -22.103 -4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 136 14.365 -22.021 -4.405 1.00 0.00 H new ATOM 199 N ILE A 137 13.761 -17.506 -2.066 1.00 0.00 N ATOM 200 CA ILE A 137 14.720 -16.436 -1.819 1.00 0.00 C ATOM 201 C ILE A 137 14.295 -15.601 -0.614 1.00 0.00 C ATOM 202 O ILE A 137 15.002 -15.542 0.391 1.00 0.00 O ATOM 203 CB ILE A 137 14.827 -15.536 -3.052 1.00 0.00 C ATOM 204 CG1 ILE A 137 15.532 -16.299 -4.177 1.00 0.00 C ATOM 205 CG2 ILE A 137 15.635 -14.284 -2.702 1.00 0.00 C ATOM 206 CD1 ILE A 137 14.909 -15.916 -5.520 1.00 0.00 C ATOM 0 H ILE A 137 13.224 -17.406 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 137 15.691 -16.886 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 137 13.829 -15.244 -3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 137 16.597 -16.065 -4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 137 15.441 -17.373 -4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 137 15.711 -13.643 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 137 15.136 -13.742 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.634 -14.575 -2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 137 15.410 -16.459 -6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.849 -16.172 -5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.023 -14.844 -5.681 1.00 0.00 H new ATOM 218 N ALA A 138 13.136 -14.961 -0.723 1.00 0.00 N ATOM 219 CA ALA A 138 12.627 -14.133 0.362 1.00 0.00 C ATOM 220 C ALA A 138 12.523 -14.943 1.651 1.00 0.00 C ATOM 221 O ALA A 138 12.505 -14.385 2.747 1.00 0.00 O ATOM 222 CB ALA A 138 11.249 -13.577 -0.004 1.00 0.00 C ATOM 0 H ALA A 138 12.535 -14.999 -1.546 1.00 0.00 H new ATOM 0 HA ALA A 138 13.321 -13.308 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 138 10.877 -12.959 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 138 11.329 -12.973 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 138 10.558 -14.402 -0.179 1.00 0.00 H new ATOM 228 N GLY A 139 12.456 -16.264 1.510 1.00 0.00 N ATOM 229 CA GLY A 139 12.355 -17.142 2.669 1.00 0.00 C ATOM 230 C GLY A 139 13.277 -16.675 3.790 1.00 0.00 C ATOM 231 O GLY A 139 12.899 -16.680 4.962 1.00 0.00 O ATOM 0 H GLY A 139 12.470 -16.746 0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 139 11.325 -17.163 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 139 12.614 -18.161 2.381 1.00 0.00 H new ATOM 235 N CYS A 140 14.489 -16.269 3.422 1.00 0.00 N ATOM 236 CA CYS A 140 15.458 -15.799 4.407 1.00 0.00 C ATOM 237 C CYS A 140 14.976 -14.507 5.058 1.00 0.00 C ATOM 238 O CYS A 140 14.901 -14.409 6.283 1.00 0.00 O ATOM 239 CB CYS A 140 16.811 -15.561 3.735 1.00 0.00 C ATOM 240 SG CYS A 140 17.465 -17.133 3.121 1.00 0.00 S ATOM 0 H CYS A 140 14.821 -16.256 2.458 1.00 0.00 H new ATOM 0 HA CYS A 140 15.565 -16.562 5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 140 16.701 -14.855 2.912 1.00 0.00 H new ATOM 0 HB3 CYS A 140 17.509 -15.117 4.445 1.00 0.00 H new ATOM 0 HG CYS A 140 18.614 -16.931 2.548 1.00 0.00 H new ATOM 246 N ILE A 141 14.652 -13.519 4.231 1.00 0.00 N ATOM 247 CA ILE A 141 14.179 -12.235 4.739 1.00 0.00 C ATOM 248 C ILE A 141 12.851 -12.404 5.470 1.00 0.00 C ATOM 249 O ILE A 141 12.507 -11.609 6.344 1.00 0.00 O ATOM 250 CB ILE A 141 14.006 -11.248 3.584 1.00 0.00 C ATOM 251 CG1 ILE A 141 15.381 -10.747 3.134 1.00 0.00 C ATOM 252 CG2 ILE A 141 13.159 -10.062 4.047 1.00 0.00 C ATOM 253 CD1 ILE A 141 15.319 -10.346 1.659 1.00 0.00 C ATOM 0 H ILE A 141 14.707 -13.580 3.214 1.00 0.00 H new ATOM 0 HA ILE A 141 14.919 -11.848 5.439 1.00 0.00 H new ATOM 0 HB ILE A 141 13.508 -11.746 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 141 15.686 -9.895 3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 141 16.129 -11.526 3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 141 13.036 -9.359 3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 141 12.180 -10.418 4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 141 13.656 -9.563 4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 141 16.297 -9.989 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 141 15.033 -11.210 1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 141 14.583 -9.553 1.528 1.00 0.00 H new ATOM 265 N THR A 142 12.108 -13.444 5.105 1.00 0.00 N ATOM 266 CA THR A 142 10.819 -13.708 5.734 1.00 0.00 C ATOM 267 C THR A 142 10.992 -13.951 7.230 1.00 0.00 C ATOM 268 O THR A 142 10.110 -13.631 8.028 1.00 0.00 O ATOM 269 CB THR A 142 10.163 -14.931 5.090 1.00 0.00 C ATOM 270 OG1 THR A 142 10.370 -14.891 3.684 1.00 0.00 O ATOM 271 CG2 THR A 142 8.663 -14.923 5.387 1.00 0.00 C ATOM 0 H THR A 142 12.374 -14.113 4.382 1.00 0.00 H new ATOM 0 HA THR A 142 10.181 -12.836 5.590 1.00 0.00 H new ATOM 0 HB THR A 142 10.607 -15.839 5.498 1.00 0.00 H new ATOM 0 HG1 THR A 142 11.044 -14.212 3.472 1.00 0.00 H new ATOM 0 HG21 THR A 142 8.197 -15.795 4.928 1.00 0.00 H new ATOM 0 HG22 THR A 142 8.505 -14.953 6.465 1.00 0.00 H new ATOM 0 HG23 THR A 142 8.216 -14.016 4.980 1.00 0.00 H new ATOM 279 N SER A 143 12.135 -14.517 7.604 1.00 0.00 N ATOM 280 CA SER A 143 12.413 -14.799 9.007 1.00 0.00 C ATOM 281 C SER A 143 11.279 -15.609 9.626 1.00 0.00 C ATOM 282 O SER A 143 11.243 -16.834 9.509 1.00 0.00 O ATOM 283 CB SER A 143 12.586 -13.490 9.778 1.00 0.00 C ATOM 284 OG SER A 143 12.527 -13.756 11.173 1.00 0.00 O ATOM 0 H SER A 143 12.878 -14.788 6.960 1.00 0.00 H new ATOM 0 HA SER A 143 13.333 -15.380 9.066 1.00 0.00 H new ATOM 0 HB2 SER A 143 13.540 -13.028 9.524 1.00 0.00 H new ATOM 0 HB3 SER A 143 11.805 -12.783 9.497 1.00 0.00 H new ATOM 0 HG SER A 143 12.639 -12.919 11.671 1.00 0.00 H new ATOM 290 N THR A 144 10.353 -14.917 10.284 1.00 0.00 N ATOM 291 CA THR A 144 9.222 -15.583 10.917 1.00 0.00 C ATOM 292 C THR A 144 8.301 -16.193 9.865 1.00 0.00 C ATOM 293 O THR A 144 7.679 -15.475 9.081 1.00 0.00 O ATOM 294 CB THR A 144 8.436 -14.584 11.768 1.00 0.00 C ATOM 295 OG1 THR A 144 7.759 -13.670 10.917 1.00 0.00 O ATOM 296 CG2 THR A 144 9.399 -13.820 12.679 1.00 0.00 C ATOM 0 H THR A 144 10.364 -13.903 10.392 1.00 0.00 H new ATOM 0 HA THR A 144 9.605 -16.380 11.554 1.00 0.00 H new ATOM 0 HB THR A 144 7.709 -15.118 12.379 1.00 0.00 H new ATOM 0 HG1 THR A 144 7.905 -13.924 9.982 1.00 0.00 H new ATOM 0 HG21 THR A 144 8.839 -13.108 13.285 1.00 0.00 H new ATOM 0 HG22 THR A 144 9.918 -14.523 13.331 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.127 -13.284 12.071 1.00 0.00 H new ATOM 304 N ASP A 145 8.221 -17.519 9.853 1.00 0.00 N ATOM 305 CA ASP A 145 7.373 -18.214 8.889 1.00 0.00 C ATOM 306 C ASP A 145 5.924 -18.234 9.372 1.00 0.00 C ATOM 307 O ASP A 145 5.655 -18.028 10.557 1.00 0.00 O ATOM 308 CB ASP A 145 7.872 -19.648 8.701 1.00 0.00 C ATOM 309 CG ASP A 145 8.486 -19.810 7.315 1.00 0.00 C ATOM 310 OD1 ASP A 145 9.419 -19.083 7.014 1.00 0.00 O1- ATOM 311 OD2 ASP A 145 8.016 -20.658 6.575 1.00 0.00 O ATOM 0 H ASP A 145 8.728 -18.130 10.493 1.00 0.00 H new ATOM 0 HA ASP A 145 7.419 -17.685 7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 145 8.611 -19.887 9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 145 7.046 -20.348 8.826 1.00 0.00 H new ATOM 316 N PRO A 146 4.993 -18.477 8.485 1.00 0.00 N ATOM 317 CA PRO A 146 3.547 -18.526 8.831 1.00 0.00 C ATOM 318 C PRO A 146 3.300 -19.181 10.188 1.00 0.00 C ATOM 319 O PRO A 146 4.170 -19.869 10.724 1.00 0.00 O ATOM 320 CB PRO A 146 2.944 -19.360 7.703 1.00 0.00 C ATOM 321 CG PRO A 146 3.832 -19.137 6.520 1.00 0.00 C ATOM 322 CD PRO A 146 5.213 -18.735 7.052 1.00 0.00 C ATOM 0 HA PRO A 146 3.109 -17.532 8.918 1.00 0.00 H new ATOM 0 HB2 PRO A 146 2.907 -20.416 7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 146 1.921 -19.050 7.490 1.00 0.00 H new ATOM 0 HG2 PRO A 146 3.902 -20.042 5.917 1.00 0.00 H new ATOM 0 HG3 PRO A 146 3.426 -18.356 5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 146 5.944 -19.529 6.899 1.00 0.00 H new ATOM 0 HD3 PRO A 146 5.593 -17.849 6.543 1.00 0.00 H new ATOM 330 N VAL A 147 2.110 -18.962 10.738 1.00 0.00 N ATOM 331 CA VAL A 147 1.760 -19.536 12.031 1.00 0.00 C ATOM 332 C VAL A 147 0.904 -20.785 11.848 1.00 0.00 C ATOM 333 O VAL A 147 1.213 -21.846 12.392 1.00 0.00 O ATOM 334 CB VAL A 147 0.996 -18.510 12.868 1.00 0.00 C ATOM 335 CG1 VAL A 147 0.756 -19.071 14.271 1.00 0.00 C ATOM 336 CG2 VAL A 147 1.818 -17.222 12.969 1.00 0.00 C ATOM 0 H VAL A 147 1.377 -18.395 10.312 1.00 0.00 H new ATOM 0 HA VAL A 147 2.680 -19.812 12.546 1.00 0.00 H new ATOM 0 HB VAL A 147 0.038 -18.296 12.394 1.00 0.00 H new ATOM 0 HG11 VAL A 147 0.211 -18.339 14.867 1.00 0.00 H new ATOM 0 HG12 VAL A 147 0.172 -19.989 14.201 1.00 0.00 H new ATOM 0 HG13 VAL A 147 1.713 -19.285 14.746 1.00 0.00 H new ATOM 0 HG21 VAL A 147 1.274 -16.489 13.566 1.00 0.00 H new ATOM 0 HG22 VAL A 147 2.775 -17.438 13.443 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.990 -16.821 11.970 1.00 0.00 H new ATOM 346 N LEU A 148 -0.172 -20.652 11.080 1.00 0.00 N ATOM 347 CA LEU A 148 -1.065 -21.778 10.832 1.00 0.00 C ATOM 348 C LEU A 148 -0.378 -22.826 9.962 1.00 0.00 C ATOM 349 O LEU A 148 -0.286 -23.995 10.338 1.00 0.00 O ATOM 350 CB LEU A 148 -2.338 -21.291 10.136 1.00 0.00 C ATOM 351 CG LEU A 148 -3.533 -21.466 11.075 1.00 0.00 C ATOM 352 CD1 LEU A 148 -4.771 -20.815 10.455 1.00 0.00 C ATOM 353 CD2 LEU A 148 -3.798 -22.958 11.290 1.00 0.00 C ATOM 0 H LEU A 148 -0.446 -19.783 10.622 1.00 0.00 H new ATOM 0 HA LEU A 148 -1.324 -22.230 11.790 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.233 -20.243 9.855 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.500 -21.853 9.216 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.314 -20.992 12.032 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -5.622 -20.940 11.125 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -4.584 -19.752 10.300 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -4.990 -21.288 9.498 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -4.649 -23.084 11.959 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -4.016 -23.430 10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -2.917 -23.424 11.732 1.00 0.00 H new ATOM 365 N SER A 149 0.105 -22.399 8.801 1.00 0.00 N ATOM 366 CA SER A 149 0.784 -23.309 7.885 1.00 0.00 C ATOM 367 C SER A 149 1.954 -24.000 8.581 1.00 0.00 C ATOM 368 O SER A 149 2.432 -25.039 8.128 1.00 0.00 O ATOM 369 CB SER A 149 1.297 -22.539 6.669 1.00 0.00 C ATOM 370 OG SER A 149 2.668 -22.851 6.459 1.00 0.00 O ATOM 0 H SER A 149 0.040 -21.435 8.473 1.00 0.00 H new ATOM 0 HA SER A 149 0.070 -24.066 7.562 1.00 0.00 H new ATOM 0 HB2 SER A 149 0.713 -22.800 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 149 1.176 -21.467 6.825 1.00 0.00 H new ATOM 0 HG SER A 149 2.999 -22.360 5.678 1.00 0.00 H new ATOM 376 N ALA A 150 2.411 -23.412 9.682 1.00 0.00 N ATOM 377 CA ALA A 150 3.530 -23.976 10.431 1.00 0.00 C ATOM 378 C ALA A 150 3.153 -25.330 11.031 1.00 0.00 C ATOM 379 O ALA A 150 4.024 -26.129 11.371 1.00 0.00 O ATOM 380 CB ALA A 150 3.945 -23.020 11.549 1.00 0.00 C ATOM 0 H ALA A 150 2.028 -22.552 10.074 1.00 0.00 H new ATOM 0 HA ALA A 150 4.364 -24.117 9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 150 4.780 -23.449 12.103 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.247 -22.065 11.118 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.104 -22.863 12.225 1.00 0.00 H new ATOM 386 N LEU A 151 1.854 -25.579 11.159 1.00 0.00 N ATOM 387 CA LEU A 151 1.384 -26.840 11.721 1.00 0.00 C ATOM 388 C LEU A 151 1.659 -27.993 10.760 1.00 0.00 C ATOM 389 O LEU A 151 2.200 -29.025 11.153 1.00 0.00 O ATOM 390 CB LEU A 151 -0.117 -26.762 12.008 1.00 0.00 C ATOM 391 CG LEU A 151 -0.342 -26.175 13.403 1.00 0.00 C ATOM 392 CD1 LEU A 151 0.403 -24.843 13.525 1.00 0.00 C ATOM 393 CD2 LEU A 151 -1.838 -25.942 13.622 1.00 0.00 C ATOM 0 H LEU A 151 1.115 -24.932 10.884 1.00 0.00 H new ATOM 0 HA LEU A 151 1.922 -27.020 12.652 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -0.609 -26.143 11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -0.562 -27.755 11.944 1.00 0.00 H new ATOM 0 HG LEU A 151 0.033 -26.871 14.154 1.00 0.00 H new ATOM 0 HD11 LEU A 151 0.242 -24.426 14.519 1.00 0.00 H new ATOM 0 HD12 LEU A 151 1.469 -25.007 13.369 1.00 0.00 H new ATOM 0 HD13 LEU A 151 0.029 -24.147 12.774 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -1.999 -25.524 14.616 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -2.212 -25.247 12.870 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -2.370 -26.889 13.536 1.00 0.00 H new ATOM 405 N ILE A 152 1.283 -27.806 9.499 1.00 0.00 N ATOM 406 CA ILE A 152 1.495 -28.839 8.490 1.00 0.00 C ATOM 407 C ILE A 152 2.976 -28.958 8.147 1.00 0.00 C ATOM 408 O ILE A 152 3.456 -30.035 7.792 1.00 0.00 O ATOM 409 CB ILE A 152 0.703 -28.503 7.226 1.00 0.00 C ATOM 410 CG1 ILE A 152 0.995 -27.060 6.809 1.00 0.00 C ATOM 411 CG2 ILE A 152 -0.793 -28.659 7.504 1.00 0.00 C ATOM 412 CD1 ILE A 152 0.361 -26.783 5.444 1.00 0.00 C ATOM 0 H ILE A 152 0.834 -26.958 9.153 1.00 0.00 H new ATOM 0 HA ILE A 152 1.150 -29.791 8.894 1.00 0.00 H new ATOM 0 HB ILE A 152 0.996 -29.180 6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 152 0.599 -26.368 7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 152 2.071 -26.895 6.762 1.00 0.00 H new ATOM 0 HG21 ILE A 152 -1.357 -28.419 6.603 1.00 0.00 H new ATOM 0 HG22 ILE A 152 -1.003 -29.687 7.801 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -1.086 -27.982 8.307 1.00 0.00 H new ATOM 0 HD11 ILE A 152 0.570 -25.755 5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 152 0.778 -27.466 4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 152 -0.717 -26.931 5.507 1.00 0.00 H new ATOM 424 N VAL A 153 3.696 -27.847 8.257 1.00 0.00 N ATOM 425 CA VAL A 153 5.123 -27.839 7.955 1.00 0.00 C ATOM 426 C VAL A 153 5.821 -29.013 8.637 1.00 0.00 C ATOM 427 O VAL A 153 5.486 -29.375 9.764 1.00 0.00 O ATOM 428 CB VAL A 153 5.751 -26.527 8.426 1.00 0.00 C ATOM 429 CG1 VAL A 153 7.258 -26.713 8.601 1.00 0.00 C ATOM 430 CG2 VAL A 153 5.490 -25.436 7.384 1.00 0.00 C ATOM 0 H VAL A 153 3.319 -26.946 8.551 1.00 0.00 H new ATOM 0 HA VAL A 153 5.247 -27.933 6.876 1.00 0.00 H new ATOM 0 HB VAL A 153 5.310 -26.236 9.379 1.00 0.00 H new ATOM 0 HG11 VAL A 153 7.704 -25.777 8.937 1.00 0.00 H new ATOM 0 HG12 VAL A 153 7.445 -27.490 9.342 1.00 0.00 H new ATOM 0 HG13 VAL A 153 7.702 -27.005 7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 153 5.937 -24.500 7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 153 5.931 -25.729 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 153 4.416 -25.301 7.260 1.00 0.00 H new ATOM 440 N GLY A 154 6.792 -29.600 7.946 1.00 0.00 N ATOM 441 CA GLY A 154 7.530 -30.732 8.496 1.00 0.00 C ATOM 442 C GLY A 154 8.717 -31.089 7.609 1.00 0.00 C ATOM 443 O GLY A 154 8.597 -31.137 6.385 1.00 0.00 O ATOM 0 H GLY A 154 7.085 -29.314 7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 154 7.880 -30.490 9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 154 6.868 -31.593 8.588 1.00 0.00 H new TER 447 GLY A 154