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= -0.79 K(o=-0.79,f=-0.046) USER MOD Single : A 130 ASN : amide:sc= -4! C(o=-4!,f=-10!) USER MOD Single : A 134 SER OG : rot 93:sc= 0.00737 USER MOD Single : A 140 CYS SG : rot 77:sc= 0.594 USER MOD Single : A 142 THR OG1 : rot 39:sc= 0.365 USER MOD Single : A 143 SER OG : rot 145:sc= -0.424! USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 15.326 -26.648 -3.293 1.00 0.00 N ATOM 2 CA LEU A 125 15.952 -25.527 -3.983 1.00 0.00 C ATOM 3 C LEU A 125 15.878 -25.722 -5.495 1.00 0.00 C ATOM 4 O LEU A 125 16.104 -26.820 -6.001 1.00 0.00 O ATOM 5 CB LEU A 125 17.416 -25.400 -3.554 1.00 0.00 C ATOM 6 CG LEU A 125 18.046 -26.792 -3.476 1.00 0.00 C ATOM 7 CD1 LEU A 125 19.485 -26.728 -3.991 1.00 0.00 C ATOM 8 CD2 LEU A 125 18.047 -27.268 -2.022 1.00 0.00 C ATOM 0 HA LEU A 125 15.416 -24.616 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 125 17.962 -24.781 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 125 17.481 -24.905 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 125 17.471 -27.488 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 125 19.935 -27.719 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 125 19.486 -26.386 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 125 20.060 -26.034 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 125 18.495 -28.260 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 125 18.624 -26.573 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.022 -27.311 -1.653 1.00 0.00 H new ATOM 20 N PHE A 126 15.558 -24.647 -6.209 1.00 0.00 N ATOM 21 CA PHE A 126 15.457 -24.711 -7.662 1.00 0.00 C ATOM 22 C PHE A 126 14.386 -25.713 -8.084 1.00 0.00 C ATOM 23 O PHE A 126 14.675 -26.693 -8.771 1.00 0.00 O ATOM 24 CB PHE A 126 16.803 -25.122 -8.261 1.00 0.00 C ATOM 25 CG PHE A 126 16.844 -24.737 -9.721 1.00 0.00 C ATOM 26 CD1 PHE A 126 17.012 -23.396 -10.086 1.00 0.00 C ATOM 27 CD2 PHE A 126 16.714 -25.721 -10.707 1.00 0.00 C ATOM 28 CE1 PHE A 126 17.049 -23.040 -11.440 1.00 0.00 C ATOM 29 CE2 PHE A 126 16.752 -25.365 -12.061 1.00 0.00 C ATOM 30 CZ PHE A 126 16.919 -24.023 -12.427 1.00 0.00 C ATOM 0 H PHE A 126 15.366 -23.729 -5.809 1.00 0.00 H new ATOM 0 HA PHE A 126 15.180 -23.723 -8.030 1.00 0.00 H new ATOM 0 HB2 PHE A 126 17.616 -24.635 -7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 126 16.948 -26.197 -8.153 1.00 0.00 H new ATOM 0 HD1 PHE A 126 17.113 -22.637 -9.324 1.00 0.00 H new ATOM 0 HD2 PHE A 126 16.584 -26.755 -10.424 1.00 0.00 H new ATOM 0 HE1 PHE A 126 17.178 -22.006 -11.723 1.00 0.00 H new ATOM 0 HE2 PHE A 126 16.653 -26.124 -12.822 1.00 0.00 H new ATOM 0 HZ PHE A 126 16.947 -23.747 -13.471 1.00 0.00 H new ATOM 40 N PRO A 127 13.164 -25.484 -7.683 1.00 0.00 N ATOM 41 CA PRO A 127 12.023 -26.382 -8.024 1.00 0.00 C ATOM 42 C PRO A 127 11.593 -26.239 -9.481 1.00 0.00 C ATOM 43 O PRO A 127 12.254 -25.564 -10.270 1.00 0.00 O ATOM 44 CB PRO A 127 10.911 -25.927 -7.078 1.00 0.00 C ATOM 45 CG PRO A 127 11.217 -24.501 -6.760 1.00 0.00 C ATOM 46 CD PRO A 127 12.734 -24.340 -6.861 1.00 0.00 C ATOM 0 HA PRO A 127 12.282 -27.435 -7.910 1.00 0.00 H new ATOM 0 HB2 PRO A 127 9.932 -26.023 -7.548 1.00 0.00 H new ATOM 0 HB3 PRO A 127 10.892 -26.535 -6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 127 10.710 -23.833 -7.456 1.00 0.00 H new ATOM 0 HG3 PRO A 127 10.867 -24.244 -5.760 1.00 0.00 H new ATOM 0 HD2 PRO A 127 13.004 -23.392 -7.326 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.203 -24.358 -5.877 1.00 0.00 H new ATOM 54 N GLN A 128 10.481 -26.878 -9.830 1.00 0.00 N ATOM 55 CA GLN A 128 9.972 -26.815 -11.196 1.00 0.00 C ATOM 56 C GLN A 128 9.294 -25.472 -11.453 1.00 0.00 C ATOM 57 O GLN A 128 9.600 -24.790 -12.430 1.00 0.00 O ATOM 58 CB GLN A 128 8.973 -27.948 -11.433 1.00 0.00 C ATOM 59 CG GLN A 128 8.804 -28.173 -12.936 1.00 0.00 C ATOM 60 CD GLN A 128 7.594 -29.066 -13.199 1.00 0.00 C ATOM 61 OE1 GLN A 128 7.649 -29.952 -14.050 1.00 0.00 O ATOM 62 NE2 GLN A 128 6.500 -28.881 -12.513 1.00 0.00 N ATOM 0 H GLN A 128 9.919 -27.441 -9.192 1.00 0.00 H new ATOM 0 HA GLN A 128 10.811 -26.922 -11.883 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.324 -28.862 -10.955 1.00 0.00 H new ATOM 0 HB3 GLN A 128 8.012 -27.701 -10.981 1.00 0.00 H new ATOM 0 HG2 GLN A 128 8.677 -27.216 -13.443 1.00 0.00 H new ATOM 0 HG3 GLN A 128 9.702 -28.634 -13.346 1.00 0.00 H new ATOM 0 HE21 GLN A 128 6.458 -28.145 -11.808 1.00 0.00 H new ATOM 0 HE22 GLN A 128 5.686 -29.472 -12.682 1.00 0.00 H new ATOM 71 N ILE A 129 8.372 -25.102 -10.569 1.00 0.00 N ATOM 72 CA ILE A 129 7.658 -23.839 -10.712 1.00 0.00 C ATOM 73 C ILE A 129 8.541 -22.673 -10.283 1.00 0.00 C ATOM 74 O ILE A 129 8.850 -22.516 -9.102 1.00 0.00 O ATOM 75 CB ILE A 129 6.387 -23.860 -9.860 1.00 0.00 C ATOM 76 CG1 ILE A 129 5.614 -25.152 -10.131 1.00 0.00 C ATOM 77 CG2 ILE A 129 5.512 -22.660 -10.220 1.00 0.00 C ATOM 78 CD1 ILE A 129 4.325 -25.160 -9.308 1.00 0.00 C ATOM 0 H ILE A 129 8.104 -25.653 -9.754 1.00 0.00 H new ATOM 0 HA ILE A 129 7.391 -23.710 -11.761 1.00 0.00 H new ATOM 0 HB ILE A 129 6.656 -23.810 -8.805 1.00 0.00 H new ATOM 0 HG12 ILE A 129 5.380 -25.232 -11.193 1.00 0.00 H new ATOM 0 HG13 ILE A 129 6.227 -26.016 -9.874 1.00 0.00 H new ATOM 0 HG21 ILE A 129 4.607 -22.675 -9.613 1.00 0.00 H new ATOM 0 HG22 ILE A 129 6.062 -21.738 -10.029 1.00 0.00 H new ATOM 0 HG23 ILE A 129 5.243 -22.710 -11.275 1.00 0.00 H new ATOM 0 HD11 ILE A 129 3.775 -26.081 -9.502 1.00 0.00 H new ATOM 0 HD12 ILE A 129 4.570 -25.100 -8.248 1.00 0.00 H new ATOM 0 HD13 ILE A 129 3.710 -24.305 -9.587 1.00 0.00 H new ATOM 90 N ASN A 130 8.945 -21.855 -11.250 1.00 0.00 N ATOM 91 CA ASN A 130 9.792 -20.704 -10.962 1.00 0.00 C ATOM 92 C ASN A 130 9.023 -19.659 -10.160 1.00 0.00 C ATOM 93 O ASN A 130 9.610 -18.887 -9.403 1.00 0.00 O ATOM 94 CB ASN A 130 10.292 -20.083 -12.267 1.00 0.00 C ATOM 95 CG ASN A 130 9.111 -19.739 -13.167 1.00 0.00 C ATOM 96 OD1 ASN A 130 8.122 -19.169 -12.705 1.00 0.00 O ATOM 97 ND2 ASN A 130 9.153 -20.055 -14.433 1.00 0.00 N ATOM 0 H ASN A 130 8.701 -21.967 -12.234 1.00 0.00 H new ATOM 0 HA ASN A 130 10.644 -21.043 -10.372 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.871 -19.184 -12.053 1.00 0.00 H new ATOM 0 HB3 ASN A 130 10.959 -20.778 -12.778 1.00 0.00 H new ATOM 0 HD21 ASN A 130 8.366 -19.830 -15.041 1.00 0.00 H new ATOM 0 HD22 ASN A 130 9.973 -20.527 -14.814 1.00 0.00 H new ATOM 104 N PHE A 131 7.705 -19.641 -10.331 1.00 0.00 N ATOM 105 CA PHE A 131 6.865 -18.687 -9.618 1.00 0.00 C ATOM 106 C PHE A 131 6.984 -18.889 -8.112 1.00 0.00 C ATOM 107 O PHE A 131 7.266 -17.947 -7.370 1.00 0.00 O ATOM 108 CB PHE A 131 5.405 -18.855 -10.044 1.00 0.00 C ATOM 109 CG PHE A 131 5.178 -18.145 -11.358 1.00 0.00 C ATOM 110 CD1 PHE A 131 4.849 -16.785 -11.370 1.00 0.00 C ATOM 111 CD2 PHE A 131 5.297 -18.848 -12.563 1.00 0.00 C ATOM 112 CE1 PHE A 131 4.638 -16.127 -12.587 1.00 0.00 C ATOM 113 CE2 PHE A 131 5.087 -18.190 -13.780 1.00 0.00 C ATOM 114 CZ PHE A 131 4.757 -16.829 -13.793 1.00 0.00 C ATOM 0 H PHE A 131 7.199 -20.272 -10.953 1.00 0.00 H new ATOM 0 HA PHE A 131 7.201 -17.680 -9.865 1.00 0.00 H new ATOM 0 HB2 PHE A 131 5.164 -19.913 -10.144 1.00 0.00 H new ATOM 0 HB3 PHE A 131 4.743 -18.448 -9.280 1.00 0.00 H new ATOM 0 HD1 PHE A 131 4.758 -16.243 -10.440 1.00 0.00 H new ATOM 0 HD2 PHE A 131 5.551 -19.898 -12.553 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.383 -15.077 -12.596 1.00 0.00 H new ATOM 0 HE2 PHE A 131 5.179 -18.732 -14.710 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.594 -16.321 -14.732 1.00 0.00 H new ATOM 124 N LEU A 132 6.768 -20.121 -7.666 1.00 0.00 N ATOM 125 CA LEU A 132 6.855 -20.436 -6.245 1.00 0.00 C ATOM 126 C LEU A 132 8.265 -20.177 -5.723 1.00 0.00 C ATOM 127 O LEU A 132 8.448 -19.760 -4.580 1.00 0.00 O ATOM 128 CB LEU A 132 6.483 -21.902 -6.010 1.00 0.00 C ATOM 129 CG LEU A 132 5.180 -21.978 -5.213 1.00 0.00 C ATOM 130 CD1 LEU A 132 4.716 -23.433 -5.129 1.00 0.00 C ATOM 131 CD2 LEU A 132 5.415 -21.437 -3.800 1.00 0.00 C ATOM 0 H LEU A 132 6.533 -20.914 -8.263 1.00 0.00 H new ATOM 0 HA LEU A 132 6.157 -19.794 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 132 6.368 -22.416 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 132 7.282 -22.409 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 132 4.415 -21.381 -5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 132 3.787 -23.487 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.549 -23.820 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.480 -24.031 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.487 -21.491 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.180 -22.035 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.746 -20.400 -3.858 1.00 0.00 H new ATOM 143 N GLY A 133 9.259 -20.426 -6.570 1.00 0.00 N ATOM 144 CA GLY A 133 10.649 -20.217 -6.184 1.00 0.00 C ATOM 145 C GLY A 133 10.849 -18.823 -5.603 1.00 0.00 C ATOM 146 O GLY A 133 11.783 -18.586 -4.836 1.00 0.00 O ATOM 0 H GLY A 133 9.129 -20.770 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.943 -20.967 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.295 -20.350 -7.052 1.00 0.00 H new ATOM 150 N SER A 134 9.965 -17.901 -5.972 1.00 0.00 N ATOM 151 CA SER A 134 10.054 -16.530 -5.480 1.00 0.00 C ATOM 152 C SER A 134 9.782 -16.480 -3.980 1.00 0.00 C ATOM 153 O SER A 134 10.467 -15.777 -3.240 1.00 0.00 O ATOM 154 CB SER A 134 9.045 -15.646 -6.213 1.00 0.00 C ATOM 155 OG SER A 134 9.352 -15.637 -7.602 1.00 0.00 O ATOM 0 H SER A 134 9.185 -18.076 -6.605 1.00 0.00 H new ATOM 0 HA SER A 134 11.063 -16.162 -5.667 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.033 -16.020 -6.055 1.00 0.00 H new ATOM 0 HB3 SER A 134 9.076 -14.632 -5.815 1.00 0.00 H new ATOM 0 HG SER A 134 8.836 -16.336 -8.056 1.00 0.00 H new ATOM 161 N LEU A 135 8.777 -17.231 -3.541 1.00 0.00 N ATOM 162 CA LEU A 135 8.425 -17.266 -2.127 1.00 0.00 C ATOM 163 C LEU A 135 9.545 -17.900 -1.309 1.00 0.00 C ATOM 164 O LEU A 135 9.633 -17.698 -0.098 1.00 0.00 O ATOM 165 CB LEU A 135 7.133 -18.062 -1.930 1.00 0.00 C ATOM 166 CG LEU A 135 5.930 -17.135 -2.105 1.00 0.00 C ATOM 167 CD1 LEU A 135 5.982 -16.485 -3.489 1.00 0.00 C ATOM 168 CD2 LEU A 135 4.639 -17.947 -1.973 1.00 0.00 C ATOM 0 H LEU A 135 8.196 -17.819 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 135 8.277 -16.242 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.084 -18.879 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.118 -18.511 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 135 5.954 -16.360 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.124 -15.824 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 135 6.902 -15.908 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 135 5.958 -17.259 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.780 -17.288 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.616 -18.721 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.600 -18.411 -0.988 1.00 0.00 H new ATOM 180 N LEU A 136 10.399 -18.666 -1.980 1.00 0.00 N ATOM 181 CA LEU A 136 11.511 -19.325 -1.304 1.00 0.00 C ATOM 182 C LEU A 136 12.485 -18.293 -0.744 1.00 0.00 C ATOM 183 O LEU A 136 13.040 -18.474 0.340 1.00 0.00 O ATOM 184 CB LEU A 136 12.245 -20.245 -2.281 1.00 0.00 C ATOM 185 CG LEU A 136 12.894 -21.395 -1.512 1.00 0.00 C ATOM 186 CD1 LEU A 136 11.893 -22.545 -1.371 1.00 0.00 C ATOM 187 CD2 LEU A 136 14.128 -21.886 -2.274 1.00 0.00 C ATOM 0 H LEU A 136 10.344 -18.845 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 136 11.112 -19.916 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.547 -20.637 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 136 13.005 -19.683 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 136 13.191 -21.047 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 136 12.356 -23.365 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 136 11.013 -22.197 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 136 11.596 -22.892 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 136 14.591 -22.706 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 136 13.830 -22.233 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 136 14.842 -21.069 -2.376 1.00 0.00 H new ATOM 199 N ILE A 137 12.687 -17.212 -1.490 1.00 0.00 N ATOM 200 CA ILE A 137 13.598 -16.157 -1.057 1.00 0.00 C ATOM 201 C ILE A 137 13.038 -15.436 0.164 1.00 0.00 C ATOM 202 O ILE A 137 13.790 -14.934 1.000 1.00 0.00 O ATOM 203 CB ILE A 137 13.811 -15.155 -2.191 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.100 -15.910 -3.491 1.00 0.00 C ATOM 205 CG2 ILE A 137 14.998 -14.249 -1.856 1.00 0.00 C ATOM 206 CD1 ILE A 137 14.368 -14.908 -4.615 1.00 0.00 C ATOM 0 H ILE A 137 12.237 -17.043 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 137 14.552 -16.611 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 137 12.913 -14.549 -2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 137 14.962 -16.564 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 137 13.254 -16.546 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 137 15.150 -13.534 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 137 14.795 -13.711 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 137 15.896 -14.855 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.574 -15.446 -5.540 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.493 -14.272 -4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.228 -14.291 -4.355 1.00 0.00 H new ATOM 218 N ALA A 138 11.714 -15.386 0.261 1.00 0.00 N ATOM 219 CA ALA A 138 11.064 -14.723 1.385 1.00 0.00 C ATOM 220 C ALA A 138 11.547 -15.312 2.707 1.00 0.00 C ATOM 221 O ALA A 138 11.422 -14.685 3.760 1.00 0.00 O ATOM 222 CB ALA A 138 9.545 -14.879 1.278 1.00 0.00 C ATOM 0 H ALA A 138 11.074 -15.794 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 138 11.322 -13.664 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 138 9.068 -14.381 2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 138 9.198 -14.430 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 138 9.286 -15.938 1.288 1.00 0.00 H new ATOM 228 N GLY A 139 12.096 -16.520 2.646 1.00 0.00 N ATOM 229 CA GLY A 139 12.594 -17.184 3.844 1.00 0.00 C ATOM 230 C GLY A 139 13.800 -16.446 4.415 1.00 0.00 C ATOM 231 O GLY A 139 13.951 -16.331 5.631 1.00 0.00 O ATOM 0 H GLY A 139 12.207 -17.056 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 139 11.804 -17.231 4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 139 12.870 -18.211 3.607 1.00 0.00 H new ATOM 235 N CYS A 140 14.657 -15.947 3.529 1.00 0.00 N ATOM 236 CA CYS A 140 15.847 -15.223 3.957 1.00 0.00 C ATOM 237 C CYS A 140 15.460 -13.921 4.652 1.00 0.00 C ATOM 238 O CYS A 140 16.092 -13.515 5.628 1.00 0.00 O ATOM 239 CB CYS A 140 16.733 -14.913 2.748 1.00 0.00 C ATOM 240 SG CYS A 140 16.396 -16.109 1.432 1.00 0.00 S ATOM 0 H CYS A 140 14.550 -16.030 2.518 1.00 0.00 H new ATOM 0 HA CYS A 140 16.397 -15.849 4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 140 16.541 -13.901 2.392 1.00 0.00 H new ATOM 0 HB3 CYS A 140 17.784 -14.956 3.033 1.00 0.00 H new ATOM 0 HG CYS A 140 15.278 -15.803 0.843 1.00 0.00 H new ATOM 246 N ILE A 141 14.419 -13.270 4.144 1.00 0.00 N ATOM 247 CA ILE A 141 13.956 -12.015 4.724 1.00 0.00 C ATOM 248 C ILE A 141 13.451 -12.236 6.147 1.00 0.00 C ATOM 249 O ILE A 141 13.707 -11.428 7.040 1.00 0.00 O ATOM 250 CB ILE A 141 12.834 -11.426 3.870 1.00 0.00 C ATOM 251 CG1 ILE A 141 13.439 -10.713 2.657 1.00 0.00 C ATOM 252 CG2 ILE A 141 12.030 -10.425 4.699 1.00 0.00 C ATOM 253 CD1 ILE A 141 14.285 -11.701 1.851 1.00 0.00 C ATOM 0 H ILE A 141 13.883 -13.588 3.337 1.00 0.00 H new ATOM 0 HA ILE A 141 14.795 -11.319 4.751 1.00 0.00 H new ATOM 0 HB ILE A 141 12.176 -12.227 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 141 12.647 -10.302 2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 141 14.054 -9.875 2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 141 11.230 -10.006 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 141 11.600 -10.931 5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 141 12.686 -9.623 5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 141 14.715 -11.192 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 141 15.086 -12.091 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 141 13.657 -12.525 1.511 1.00 0.00 H new ATOM 265 N THR A 142 12.733 -13.335 6.351 1.00 0.00 N ATOM 266 CA THR A 142 12.198 -13.653 7.669 1.00 0.00 C ATOM 267 C THR A 142 13.325 -13.820 8.681 1.00 0.00 C ATOM 268 O THR A 142 13.449 -13.037 9.622 1.00 0.00 O ATOM 269 CB THR A 142 11.374 -14.942 7.602 1.00 0.00 C ATOM 270 OG1 THR A 142 11.833 -15.738 6.518 1.00 0.00 O ATOM 271 CG2 THR A 142 9.899 -14.599 7.396 1.00 0.00 C ATOM 0 H THR A 142 12.509 -14.016 5.626 1.00 0.00 H new ATOM 0 HA THR A 142 11.559 -12.829 7.988 1.00 0.00 H new ATOM 0 HB THR A 142 11.488 -15.495 8.535 1.00 0.00 H new ATOM 0 HG1 THR A 142 12.810 -15.684 6.463 1.00 0.00 H new ATOM 0 HG21 THR A 142 9.315 -15.518 7.349 1.00 0.00 H new ATOM 0 HG22 THR A 142 9.548 -13.988 8.228 1.00 0.00 H new ATOM 0 HG23 THR A 142 9.781 -14.046 6.464 1.00 0.00 H new ATOM 279 N SER A 143 14.148 -14.845 8.480 1.00 0.00 N ATOM 280 CA SER A 143 15.264 -15.105 9.382 1.00 0.00 C ATOM 281 C SER A 143 14.831 -14.930 10.834 1.00 0.00 C ATOM 282 O SER A 143 14.030 -15.710 11.351 1.00 0.00 O ATOM 283 CB SER A 143 16.417 -14.150 9.075 1.00 0.00 C ATOM 284 OG SER A 143 16.001 -12.815 9.328 1.00 0.00 O ATOM 0 H SER A 143 14.064 -15.504 7.706 1.00 0.00 H new ATOM 0 HA SER A 143 15.594 -16.133 9.234 1.00 0.00 H new ATOM 0 HB2 SER A 143 17.282 -14.396 9.691 1.00 0.00 H new ATOM 0 HB3 SER A 143 16.725 -14.256 8.035 1.00 0.00 H new ATOM 0 HG SER A 143 16.756 -12.298 9.680 1.00 0.00 H new ATOM 290 N THR A 144 15.366 -13.905 11.488 1.00 0.00 N ATOM 291 CA THR A 144 15.027 -13.637 12.882 1.00 0.00 C ATOM 292 C THR A 144 13.860 -12.659 12.971 1.00 0.00 C ATOM 293 O THR A 144 13.521 -11.991 11.996 1.00 0.00 O ATOM 294 CB THR A 144 16.240 -13.058 13.611 1.00 0.00 C ATOM 295 OG1 THR A 144 15.912 -12.849 14.979 1.00 0.00 O ATOM 296 CG2 THR A 144 16.636 -11.726 12.970 1.00 0.00 C ATOM 0 H THR A 144 16.032 -13.249 11.079 1.00 0.00 H new ATOM 0 HA THR A 144 14.735 -14.575 13.353 1.00 0.00 H new ATOM 0 HB THR A 144 17.075 -13.755 13.539 1.00 0.00 H new ATOM 0 HG1 THR A 144 16.689 -12.479 15.449 1.00 0.00 H new ATOM 0 HG21 THR A 144 17.501 -11.314 13.491 1.00 0.00 H new ATOM 0 HG22 THR A 144 16.887 -11.887 11.921 1.00 0.00 H new ATOM 0 HG23 THR A 144 15.803 -11.026 13.041 1.00 0.00 H new ATOM 304 N ASP A 145 13.251 -12.580 14.149 1.00 0.00 N ATOM 305 CA ASP A 145 12.122 -11.679 14.357 1.00 0.00 C ATOM 306 C ASP A 145 11.181 -11.718 13.157 1.00 0.00 C ATOM 307 O ASP A 145 11.137 -10.781 12.358 1.00 0.00 O ATOM 308 CB ASP A 145 12.627 -10.250 14.566 1.00 0.00 C ATOM 309 CG ASP A 145 13.761 -10.240 15.585 1.00 0.00 C ATOM 310 OD1 ASP A 145 13.506 -10.580 16.729 1.00 0.00 O ATOM 311 OD2 ASP A 145 14.867 -9.890 15.208 1.00 0.00 O1- ATOM 0 H ASP A 145 13.517 -13.124 14.969 1.00 0.00 H new ATOM 0 HA ASP A 145 11.578 -12.005 15.243 1.00 0.00 H new ATOM 0 HB2 ASP A 145 12.975 -9.837 13.619 1.00 0.00 H new ATOM 0 HB3 ASP A 145 11.812 -9.614 14.911 1.00 0.00 H new ATOM 316 N PRO A 146 10.431 -12.778 13.023 1.00 0.00 N ATOM 317 CA PRO A 146 9.466 -12.948 11.897 1.00 0.00 C ATOM 318 C PRO A 146 8.453 -11.807 11.832 1.00 0.00 C ATOM 319 O PRO A 146 8.452 -11.026 10.880 1.00 0.00 O ATOM 320 CB PRO A 146 8.770 -14.281 12.197 1.00 0.00 C ATOM 321 CG PRO A 146 9.665 -15.003 13.151 1.00 0.00 C ATOM 322 CD PRO A 146 10.428 -13.934 13.929 1.00 0.00 C ATOM 0 HA PRO A 146 9.968 -12.939 10.929 1.00 0.00 H new ATOM 0 HB2 PRO A 146 7.784 -14.118 12.633 1.00 0.00 H new ATOM 0 HB3 PRO A 146 8.623 -14.859 11.285 1.00 0.00 H new ATOM 0 HG2 PRO A 146 9.085 -15.633 13.825 1.00 0.00 H new ATOM 0 HG3 PRO A 146 10.353 -15.658 12.616 1.00 0.00 H new ATOM 0 HD2 PRO A 146 9.938 -13.700 14.874 1.00 0.00 H new ATOM 0 HD3 PRO A 146 11.441 -14.259 14.167 1.00 0.00 H new ATOM 330 N VAL A 147 7.600 -11.722 12.855 1.00 0.00 N ATOM 331 CA VAL A 147 6.575 -10.678 12.928 1.00 0.00 C ATOM 332 C VAL A 147 6.067 -10.305 11.538 1.00 0.00 C ATOM 333 O VAL A 147 5.833 -9.130 11.248 1.00 0.00 O ATOM 334 CB VAL A 147 7.130 -9.434 13.628 1.00 0.00 C ATOM 335 CG1 VAL A 147 7.444 -9.769 15.087 1.00 0.00 C ATOM 336 CG2 VAL A 147 8.412 -8.971 12.929 1.00 0.00 C ATOM 0 H VAL A 147 7.599 -12.365 13.646 1.00 0.00 H new ATOM 0 HA VAL A 147 5.739 -11.072 13.505 1.00 0.00 H new ATOM 0 HB VAL A 147 6.387 -8.637 13.584 1.00 0.00 H new ATOM 0 HG11 VAL A 147 7.839 -8.884 15.586 1.00 0.00 H new ATOM 0 HG12 VAL A 147 6.533 -10.093 15.590 1.00 0.00 H new ATOM 0 HG13 VAL A 147 8.184 -10.568 15.126 1.00 0.00 H new ATOM 0 HG21 VAL A 147 8.801 -8.086 13.432 1.00 0.00 H new ATOM 0 HG22 VAL A 147 9.156 -9.767 12.968 1.00 0.00 H new ATOM 0 HG23 VAL A 147 8.193 -8.730 11.889 1.00 0.00 H new ATOM 346 N LEU A 148 5.897 -11.308 10.684 1.00 0.00 N ATOM 347 CA LEU A 148 5.416 -11.071 9.328 1.00 0.00 C ATOM 348 C LEU A 148 3.956 -10.627 9.349 1.00 0.00 C ATOM 349 O LEU A 148 3.476 -10.001 8.405 1.00 0.00 O ATOM 350 CB LEU A 148 5.552 -12.346 8.495 1.00 0.00 C ATOM 351 CG LEU A 148 5.818 -11.976 7.035 1.00 0.00 C ATOM 352 CD1 LEU A 148 7.316 -11.740 6.832 1.00 0.00 C ATOM 353 CD2 LEU A 148 5.357 -13.119 6.128 1.00 0.00 C ATOM 0 H LEU A 148 6.084 -12.286 10.904 1.00 0.00 H new ATOM 0 HA LEU A 148 6.019 -10.280 8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 148 6.367 -12.959 8.880 1.00 0.00 H new ATOM 0 HB3 LEU A 148 4.642 -12.941 8.570 1.00 0.00 H new ATOM 0 HG LEU A 148 5.270 -11.068 6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 148 7.505 -11.476 5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 148 7.647 -10.927 7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 148 7.865 -12.648 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 148 5.546 -12.856 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 148 5.906 -14.027 6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 148 4.290 -13.289 6.271 1.00 0.00 H new ATOM 365 N SER A 149 3.258 -10.957 10.431 1.00 0.00 N ATOM 366 CA SER A 149 1.855 -10.587 10.561 1.00 0.00 C ATOM 367 C SER A 149 1.683 -9.077 10.412 1.00 0.00 C ATOM 368 O SER A 149 0.618 -8.601 10.021 1.00 0.00 O ATOM 369 CB SER A 149 1.323 -11.029 11.925 1.00 0.00 C ATOM 370 OG SER A 149 1.647 -10.045 12.898 1.00 0.00 O ATOM 0 H SER A 149 3.637 -11.475 11.223 1.00 0.00 H new ATOM 0 HA SER A 149 1.293 -11.086 9.772 1.00 0.00 H new ATOM 0 HB2 SER A 149 0.243 -11.169 11.879 1.00 0.00 H new ATOM 0 HB3 SER A 149 1.757 -11.989 12.204 1.00 0.00 H new ATOM 0 HG SER A 149 1.306 -10.325 13.773 1.00 0.00 H new ATOM 376 N ALA A 150 2.738 -8.333 10.727 1.00 0.00 N ATOM 377 CA ALA A 150 2.692 -6.879 10.623 1.00 0.00 C ATOM 378 C ALA A 150 2.544 -6.450 9.166 1.00 0.00 C ATOM 379 O ALA A 150 1.714 -5.601 8.841 1.00 0.00 O ATOM 380 CB ALA A 150 3.970 -6.274 11.207 1.00 0.00 C ATOM 0 H ALA A 150 3.628 -8.709 11.054 1.00 0.00 H new ATOM 0 HA ALA A 150 1.830 -6.520 11.185 1.00 0.00 H new ATOM 0 HB1 ALA A 150 3.928 -5.188 11.126 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.060 -6.556 12.256 1.00 0.00 H new ATOM 0 HB3 ALA A 150 4.834 -6.646 10.656 1.00 0.00 H new ATOM 386 N LEU A 151 3.352 -7.045 8.294 1.00 0.00 N ATOM 387 CA LEU A 151 3.301 -6.718 6.875 1.00 0.00 C ATOM 388 C LEU A 151 2.009 -7.238 6.252 1.00 0.00 C ATOM 389 O LEU A 151 1.453 -6.617 5.346 1.00 0.00 O ATOM 390 CB LEU A 151 4.502 -7.332 6.154 1.00 0.00 C ATOM 391 CG LEU A 151 5.765 -7.113 6.988 1.00 0.00 C ATOM 392 CD1 LEU A 151 6.988 -7.575 6.193 1.00 0.00 C ATOM 393 CD2 LEU A 151 5.905 -5.626 7.317 1.00 0.00 C ATOM 0 H LEU A 151 4.045 -7.751 8.543 1.00 0.00 H new ATOM 0 HA LEU A 151 3.331 -5.634 6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 151 4.338 -8.398 5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 151 4.620 -6.878 5.170 1.00 0.00 H new ATOM 0 HG LEU A 151 5.694 -7.686 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 151 7.888 -7.419 6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 151 6.889 -8.634 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 151 7.059 -7.001 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 151 6.805 -5.468 7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 151 5.976 -5.054 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 151 5.034 -5.295 7.882 1.00 0.00 H new ATOM 405 N ILE A 152 1.539 -8.379 6.745 1.00 0.00 N ATOM 406 CA ILE A 152 0.312 -8.973 6.230 1.00 0.00 C ATOM 407 C ILE A 152 -0.901 -8.156 6.661 1.00 0.00 C ATOM 408 O ILE A 152 -1.971 -8.249 6.060 1.00 0.00 O ATOM 409 CB ILE A 152 0.170 -10.408 6.741 1.00 0.00 C ATOM 410 CG1 ILE A 152 1.338 -11.250 6.222 1.00 0.00 C ATOM 411 CG2 ILE A 152 -1.147 -11.003 6.240 1.00 0.00 C ATOM 412 CD1 ILE A 152 1.377 -12.585 6.969 1.00 0.00 C ATOM 0 H ILE A 152 1.985 -8.907 7.495 1.00 0.00 H new ATOM 0 HA ILE A 152 0.364 -8.979 5.141 1.00 0.00 H new ATOM 0 HB ILE A 152 0.176 -10.407 7.831 1.00 0.00 H new ATOM 0 HG12 ILE A 152 1.228 -11.423 5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 152 2.277 -10.715 6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 152 -1.247 -12.025 6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 152 -1.980 -10.404 6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -1.154 -11.005 5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 152 2.209 -13.185 6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 152 1.508 -12.402 8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 152 0.442 -13.121 6.805 1.00 0.00 H new ATOM 424 N VAL A 153 -0.727 -7.354 7.706 1.00 0.00 N ATOM 425 CA VAL A 153 -1.814 -6.523 8.209 1.00 0.00 C ATOM 426 C VAL A 153 -3.023 -7.381 8.565 1.00 0.00 C ATOM 427 O VAL A 153 -3.134 -8.526 8.127 1.00 0.00 O ATOM 428 CB VAL A 153 -2.211 -5.488 7.156 1.00 0.00 C ATOM 429 CG1 VAL A 153 -2.795 -4.254 7.845 1.00 0.00 C ATOM 430 CG2 VAL A 153 -0.975 -5.083 6.349 1.00 0.00 C ATOM 0 H VAL A 153 0.150 -7.262 8.218 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.469 -6.011 9.108 1.00 0.00 H new ATOM 0 HB VAL A 153 -2.958 -5.918 6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -3.078 -3.517 7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -3.675 -4.541 8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -2.049 -3.823 8.513 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -1.257 -4.345 5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -0.229 -4.654 7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -0.558 -5.961 5.856 1.00 0.00 H new ATOM 440 N GLY A 154 -3.927 -6.819 9.361 1.00 0.00 N ATOM 441 CA GLY A 154 -5.126 -7.543 9.769 1.00 0.00 C ATOM 442 C GLY A 154 -6.061 -7.761 8.584 1.00 0.00 C ATOM 443 O GLY A 154 -7.011 -7.005 8.383 1.00 0.00 O ATOM 0 H GLY A 154 -3.854 -5.872 9.734 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -4.846 -8.505 10.198 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -5.645 -6.985 10.549 1.00 0.00 H new TER 447 GLY A 154