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 X(o=0,f=-0.15) USER MOD Single : A 130 ASN : amide:sc= -1.09 K(o=-1.1,f=-1.7!) 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 78:sc= 1.2 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot -92:sc= -0.0365 USER MOD Single : A 149 SER OG : rot 180:sc= 0.0101 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 14.517 -21.844 -17.533 1.00 0.00 N ATOM 2 CA LEU A 125 13.574 -22.471 -18.454 1.00 0.00 C ATOM 3 C LEU A 125 12.401 -21.539 -18.735 1.00 0.00 C ATOM 4 O LEU A 125 11.430 -21.926 -19.387 1.00 0.00 O ATOM 5 CB LEU A 125 13.057 -23.782 -17.860 1.00 0.00 C ATOM 6 CG LEU A 125 12.678 -24.739 -18.990 1.00 0.00 C ATOM 7 CD1 LEU A 125 13.910 -25.536 -19.422 1.00 0.00 C ATOM 8 CD2 LEU A 125 11.596 -25.703 -18.500 1.00 0.00 C ATOM 0 HA LEU A 125 14.092 -22.677 -19.391 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.821 -24.234 -17.228 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.191 -23.590 -17.226 1.00 0.00 H new ATOM 0 HG LEU A 125 12.301 -24.166 -19.837 1.00 0.00 H new ATOM 0 HD11 LEU A 125 13.638 -26.218 -20.228 1.00 0.00 H new ATOM 0 HD12 LEU A 125 14.682 -24.851 -19.772 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.289 -26.108 -18.575 1.00 0.00 H new ATOM 0 HD21 LEU A 125 11.325 -26.386 -19.305 1.00 0.00 H new ATOM 0 HD22 LEU A 125 11.974 -26.274 -17.652 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.716 -25.137 -18.193 1.00 0.00 H new ATOM 20 N PHE A 126 12.493 -20.309 -18.238 1.00 0.00 N ATOM 21 CA PHE A 126 11.431 -19.331 -18.442 1.00 0.00 C ATOM 22 C PHE A 126 10.142 -19.789 -17.767 1.00 0.00 C ATOM 23 O PHE A 126 9.118 -19.973 -18.423 1.00 0.00 O ATOM 24 CB PHE A 126 11.183 -19.138 -19.940 1.00 0.00 C ATOM 25 CG PHE A 126 10.509 -17.807 -20.172 1.00 0.00 C ATOM 26 CD1 PHE A 126 11.270 -16.632 -20.195 1.00 0.00 C ATOM 27 CD2 PHE A 126 9.123 -17.747 -20.363 1.00 0.00 C ATOM 28 CE1 PHE A 126 10.645 -15.398 -20.409 1.00 0.00 C ATOM 29 CE2 PHE A 126 8.499 -16.513 -20.578 1.00 0.00 C ATOM 30 CZ PHE A 126 9.259 -15.338 -20.601 1.00 0.00 C ATOM 0 H PHE A 126 13.286 -19.968 -17.695 1.00 0.00 H new ATOM 0 HA PHE A 126 11.743 -18.385 -17.998 1.00 0.00 H new ATOM 0 HB2 PHE A 126 12.127 -19.179 -20.484 1.00 0.00 H new ATOM 0 HB3 PHE A 126 10.559 -19.945 -20.323 1.00 0.00 H new ATOM 0 HD1 PHE A 126 12.339 -16.678 -20.048 1.00 0.00 H new ATOM 0 HD2 PHE A 126 8.536 -18.653 -20.344 1.00 0.00 H new ATOM 0 HE1 PHE A 126 11.232 -14.492 -20.426 1.00 0.00 H new ATOM 0 HE2 PHE A 126 7.430 -16.467 -20.726 1.00 0.00 H new ATOM 0 HZ PHE A 126 8.777 -14.386 -20.767 1.00 0.00 H new ATOM 40 N PRO A 127 10.177 -19.971 -16.474 1.00 0.00 N ATOM 41 CA PRO A 127 8.989 -20.417 -15.691 1.00 0.00 C ATOM 42 C PRO A 127 7.956 -19.303 -15.531 1.00 0.00 C ATOM 43 O PRO A 127 8.308 -18.132 -15.401 1.00 0.00 O ATOM 44 CB PRO A 127 9.576 -20.817 -14.337 1.00 0.00 C ATOM 45 CG PRO A 127 10.833 -20.023 -14.200 1.00 0.00 C ATOM 46 CD PRO A 127 11.356 -19.775 -15.615 1.00 0.00 C ATOM 0 HA PRO A 127 8.455 -21.229 -16.184 1.00 0.00 H new ATOM 0 HB2 PRO A 127 8.881 -20.596 -13.527 1.00 0.00 H new ATOM 0 HB3 PRO A 127 9.781 -21.887 -14.298 1.00 0.00 H new ATOM 0 HG2 PRO A 127 10.641 -19.080 -13.688 1.00 0.00 H new ATOM 0 HG3 PRO A 127 11.569 -20.564 -13.605 1.00 0.00 H new ATOM 0 HD2 PRO A 127 11.762 -18.769 -15.719 1.00 0.00 H new ATOM 0 HD3 PRO A 127 12.156 -20.470 -15.872 1.00 0.00 H new ATOM 54 N GLN A 128 6.681 -19.679 -15.540 1.00 0.00 N ATOM 55 CA GLN A 128 5.607 -18.705 -15.394 1.00 0.00 C ATOM 56 C GLN A 128 5.389 -18.364 -13.923 1.00 0.00 C ATOM 57 O GLN A 128 5.509 -17.206 -13.520 1.00 0.00 O ATOM 58 CB GLN A 128 4.311 -19.263 -15.986 1.00 0.00 C ATOM 59 CG GLN A 128 3.273 -18.144 -16.089 1.00 0.00 C ATOM 60 CD GLN A 128 1.923 -18.721 -16.503 1.00 0.00 C ATOM 61 OE1 GLN A 128 1.852 -19.534 -17.424 1.00 0.00 O ATOM 62 NE2 GLN A 128 0.843 -18.345 -15.874 1.00 0.00 N ATOM 0 H GLN A 128 6.369 -20.644 -15.646 1.00 0.00 H new ATOM 0 HA GLN A 128 5.890 -17.798 -15.928 1.00 0.00 H new ATOM 0 HB2 GLN A 128 4.502 -19.688 -16.971 1.00 0.00 H new ATOM 0 HB3 GLN A 128 3.930 -20.070 -15.360 1.00 0.00 H new ATOM 0 HG2 GLN A 128 3.181 -17.633 -15.131 1.00 0.00 H new ATOM 0 HG3 GLN A 128 3.599 -17.401 -16.817 1.00 0.00 H new ATOM 0 HE21 GLN A 128 0.906 -17.671 -15.111 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -0.064 -18.725 -16.145 1.00 0.00 H new ATOM 71 N ILE A 129 5.069 -19.377 -13.126 1.00 0.00 N ATOM 72 CA ILE A 129 4.837 -19.172 -11.701 1.00 0.00 C ATOM 73 C ILE A 129 6.125 -18.748 -11.004 1.00 0.00 C ATOM 74 O ILE A 129 6.730 -19.528 -10.269 1.00 0.00 O ATOM 75 CB ILE A 129 4.311 -20.459 -11.066 1.00 0.00 C ATOM 76 CG1 ILE A 129 4.992 -21.664 -11.721 1.00 0.00 C ATOM 77 CG2 ILE A 129 2.799 -20.553 -11.278 1.00 0.00 C ATOM 78 CD1 ILE A 129 4.903 -22.872 -10.785 1.00 0.00 C ATOM 0 H ILE A 129 4.965 -20.342 -13.439 1.00 0.00 H new ATOM 0 HA ILE A 129 4.096 -18.381 -11.584 1.00 0.00 H new ATOM 0 HB ILE A 129 4.528 -20.452 -9.998 1.00 0.00 H new ATOM 0 HG12 ILE A 129 4.513 -21.892 -12.673 1.00 0.00 H new ATOM 0 HG13 ILE A 129 6.035 -21.433 -11.936 1.00 0.00 H new ATOM 0 HG21 ILE A 129 2.424 -21.471 -10.825 1.00 0.00 H new ATOM 0 HG22 ILE A 129 2.313 -19.695 -10.814 1.00 0.00 H new ATOM 0 HG23 ILE A 129 2.581 -20.560 -12.346 1.00 0.00 H new ATOM 0 HD11 ILE A 129 5.388 -23.730 -11.251 1.00 0.00 H new ATOM 0 HD12 ILE A 129 5.402 -22.641 -9.844 1.00 0.00 H new ATOM 0 HD13 ILE A 129 3.856 -23.107 -10.593 1.00 0.00 H new ATOM 90 N ASN A 130 6.541 -17.507 -11.241 1.00 0.00 N ATOM 91 CA ASN A 130 7.761 -16.991 -10.631 1.00 0.00 C ATOM 92 C ASN A 130 7.579 -16.831 -9.124 1.00 0.00 C ATOM 93 O ASN A 130 8.551 -16.837 -8.369 1.00 0.00 O ATOM 94 CB ASN A 130 8.123 -15.640 -11.250 1.00 0.00 C ATOM 95 CG ASN A 130 9.539 -15.246 -10.847 1.00 0.00 C ATOM 96 OD1 ASN A 130 9.841 -15.138 -9.659 1.00 0.00 O ATOM 97 ND2 ASN A 130 10.432 -15.023 -11.771 1.00 0.00 N ATOM 0 H ASN A 130 6.055 -16.845 -11.846 1.00 0.00 H new ATOM 0 HA ASN A 130 8.567 -17.702 -10.815 1.00 0.00 H new ATOM 0 HB2 ASN A 130 8.047 -15.696 -12.336 1.00 0.00 H new ATOM 0 HB3 ASN A 130 7.417 -14.878 -10.920 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.382 -14.759 -11.509 1.00 0.00 H new ATOM 0 HD22 ASN A 130 10.181 -15.113 -12.755 1.00 0.00 H new ATOM 104 N PHE A 131 6.330 -16.688 -8.696 1.00 0.00 N ATOM 105 CA PHE A 131 6.032 -16.528 -7.278 1.00 0.00 C ATOM 106 C PHE A 131 6.499 -17.748 -6.490 1.00 0.00 C ATOM 107 O PHE A 131 6.727 -17.670 -5.282 1.00 0.00 O ATOM 108 CB PHE A 131 4.528 -16.335 -7.077 1.00 0.00 C ATOM 109 CG PHE A 131 4.224 -14.862 -6.938 1.00 0.00 C ATOM 110 CD1 PHE A 131 4.799 -13.941 -7.822 1.00 0.00 C ATOM 111 CD2 PHE A 131 3.364 -14.417 -5.926 1.00 0.00 C ATOM 112 CE1 PHE A 131 4.516 -12.576 -7.693 1.00 0.00 C ATOM 113 CE2 PHE A 131 3.081 -13.052 -5.797 1.00 0.00 C ATOM 114 CZ PHE A 131 3.658 -12.131 -6.681 1.00 0.00 C ATOM 0 H PHE A 131 5.512 -16.680 -9.306 1.00 0.00 H new ATOM 0 HA PHE A 131 6.563 -15.649 -6.913 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.981 -16.752 -7.922 1.00 0.00 H new ATOM 0 HB3 PHE A 131 4.197 -16.871 -6.187 1.00 0.00 H new ATOM 0 HD1 PHE A 131 5.461 -14.284 -8.604 1.00 0.00 H new ATOM 0 HD2 PHE A 131 2.919 -15.127 -5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.960 -11.866 -8.375 1.00 0.00 H new ATOM 0 HE2 PHE A 131 2.418 -12.709 -5.016 1.00 0.00 H new ATOM 0 HZ PHE A 131 3.441 -11.078 -6.581 1.00 0.00 H new ATOM 124 N LEU A 132 6.642 -18.874 -7.181 1.00 0.00 N ATOM 125 CA LEU A 132 7.084 -20.104 -6.536 1.00 0.00 C ATOM 126 C LEU A 132 8.485 -19.934 -5.960 1.00 0.00 C ATOM 127 O LEU A 132 8.703 -20.126 -4.764 1.00 0.00 O ATOM 128 CB LEU A 132 7.082 -21.253 -7.547 1.00 0.00 C ATOM 129 CG LEU A 132 7.106 -22.588 -6.802 1.00 0.00 C ATOM 130 CD1 LEU A 132 5.673 -23.046 -6.525 1.00 0.00 C ATOM 131 CD2 LEU A 132 7.818 -23.637 -7.659 1.00 0.00 C ATOM 0 H LEU A 132 6.460 -18.960 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 132 6.395 -20.333 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 132 6.196 -21.193 -8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 132 7.949 -21.175 -8.204 1.00 0.00 H new ATOM 0 HG LEU A 132 7.637 -22.466 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 132 5.691 -23.998 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 132 5.164 -22.300 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.141 -23.167 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 132 7.836 -24.589 -7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 132 7.287 -23.757 -8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 132 8.840 -23.313 -7.857 1.00 0.00 H new ATOM 143 N GLY A 133 9.433 -19.572 -6.820 1.00 0.00 N ATOM 144 CA GLY A 133 10.812 -19.378 -6.383 1.00 0.00 C ATOM 145 C GLY A 133 10.907 -18.248 -5.366 1.00 0.00 C ATOM 146 O GLY A 133 11.770 -18.262 -4.488 1.00 0.00 O ATOM 0 H GLY A 133 9.274 -19.408 -7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 133 11.192 -20.301 -5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.442 -19.152 -7.243 1.00 0.00 H new ATOM 150 N SER A 134 10.014 -17.271 -5.488 1.00 0.00 N ATOM 151 CA SER A 134 10.007 -16.136 -4.573 1.00 0.00 C ATOM 152 C SER A 134 9.624 -16.585 -3.166 1.00 0.00 C ATOM 153 O SER A 134 9.957 -15.926 -2.181 1.00 0.00 O ATOM 154 CB SER A 134 9.018 -15.079 -5.059 1.00 0.00 C ATOM 155 OG SER A 134 9.531 -13.785 -4.768 1.00 0.00 O ATOM 0 H SER A 134 9.291 -17.242 -6.207 1.00 0.00 H new ATOM 0 HA SER A 134 11.010 -15.709 -4.546 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.853 -15.185 -6.131 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.052 -15.217 -4.573 1.00 0.00 H new ATOM 0 HG SER A 134 8.899 -13.105 -5.080 1.00 0.00 H new ATOM 161 N LEU A 135 8.920 -17.710 -3.080 1.00 0.00 N ATOM 162 CA LEU A 135 8.496 -18.238 -1.789 1.00 0.00 C ATOM 163 C LEU A 135 9.709 -18.670 -0.968 1.00 0.00 C ATOM 164 O LEU A 135 9.817 -18.341 0.214 1.00 0.00 O ATOM 165 CB LEU A 135 7.559 -19.433 -1.997 1.00 0.00 C ATOM 166 CG LEU A 135 6.998 -19.911 -0.651 1.00 0.00 C ATOM 167 CD1 LEU A 135 6.135 -18.815 -0.020 1.00 0.00 C ATOM 168 CD2 LEU A 135 6.142 -21.159 -0.876 1.00 0.00 C ATOM 0 H LEU A 135 8.633 -18.270 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 135 7.966 -17.454 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.741 -19.151 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.098 -20.246 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 135 7.827 -20.142 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.742 -19.165 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 135 6.741 -17.923 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 135 5.307 -18.575 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.741 -21.502 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.320 -20.919 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.755 -21.946 -1.316 1.00 0.00 H new ATOM 180 N LEU A 136 10.615 -19.406 -1.602 1.00 0.00 N ATOM 181 CA LEU A 136 11.814 -19.876 -0.919 1.00 0.00 C ATOM 182 C LEU A 136 12.691 -18.698 -0.505 1.00 0.00 C ATOM 183 O LEU A 136 13.230 -18.672 0.603 1.00 0.00 O ATOM 184 CB LEU A 136 12.607 -20.807 -1.838 1.00 0.00 C ATOM 185 CG LEU A 136 12.946 -22.098 -1.091 1.00 0.00 C ATOM 186 CD1 LEU A 136 13.765 -23.016 -1.999 1.00 0.00 C ATOM 187 CD2 LEU A 136 13.760 -21.763 0.162 1.00 0.00 C ATOM 0 H LEU A 136 10.543 -19.688 -2.580 1.00 0.00 H new ATOM 0 HA LEU A 136 11.511 -20.420 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 136 12.026 -21.034 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 136 13.522 -20.315 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 136 12.024 -22.602 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 136 14.006 -23.935 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 136 13.187 -23.255 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 136 14.687 -22.513 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 136 14.002 -22.682 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 136 14.682 -21.258 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 136 13.177 -21.110 0.811 1.00 0.00 H new ATOM 199 N ILE A 137 12.829 -17.726 -1.401 1.00 0.00 N ATOM 200 CA ILE A 137 13.644 -16.550 -1.118 1.00 0.00 C ATOM 201 C ILE A 137 12.998 -15.701 -0.028 1.00 0.00 C ATOM 202 O ILE A 137 13.690 -15.080 0.780 1.00 0.00 O ATOM 203 CB ILE A 137 13.813 -15.713 -2.387 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.667 -16.485 -3.395 1.00 0.00 C ATOM 205 CG2 ILE A 137 14.502 -14.393 -2.041 1.00 0.00 C ATOM 206 CD1 ILE A 137 14.570 -15.816 -4.767 1.00 0.00 C ATOM 0 H ILE A 137 12.391 -17.729 -2.322 1.00 0.00 H new ATOM 0 HA ILE A 137 14.622 -16.884 -0.771 1.00 0.00 H new ATOM 0 HB ILE A 137 12.834 -15.508 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 137 15.705 -16.510 -3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.328 -17.519 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 137 14.622 -13.797 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 137 13.895 -13.843 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 137 15.481 -14.596 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 137 15.179 -16.367 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.532 -15.814 -5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 137 14.931 -14.790 -4.698 1.00 0.00 H new ATOM 218 N ALA A 138 11.669 -15.679 -0.011 1.00 0.00 N ATOM 219 CA ALA A 138 10.939 -14.901 0.984 1.00 0.00 C ATOM 220 C ALA A 138 11.357 -15.310 2.393 1.00 0.00 C ATOM 221 O ALA A 138 11.164 -14.560 3.350 1.00 0.00 O ATOM 222 CB ALA A 138 9.435 -15.115 0.812 1.00 0.00 C ATOM 0 H ALA A 138 11.079 -16.187 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 138 11.174 -13.846 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 138 8.897 -14.531 1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 138 9.134 -14.795 -0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 138 9.201 -16.172 0.940 1.00 0.00 H new ATOM 228 N GLY A 139 11.929 -16.504 2.514 1.00 0.00 N ATOM 229 CA GLY A 139 12.368 -17.001 3.812 1.00 0.00 C ATOM 230 C GLY A 139 13.672 -16.335 4.238 1.00 0.00 C ATOM 231 O GLY A 139 14.013 -16.314 5.420 1.00 0.00 O ATOM 0 H GLY A 139 12.098 -17.141 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 139 11.597 -16.810 4.558 1.00 0.00 H new ATOM 0 HA3 GLY A 139 12.505 -18.081 3.765 1.00 0.00 H new ATOM 235 N CYS A 140 14.399 -15.793 3.265 1.00 0.00 N ATOM 236 CA CYS A 140 15.665 -15.128 3.551 1.00 0.00 C ATOM 237 C CYS A 140 15.435 -13.873 4.385 1.00 0.00 C ATOM 238 O CYS A 140 15.989 -13.731 5.475 1.00 0.00 O ATOM 239 CB CYS A 140 16.364 -14.755 2.242 1.00 0.00 C ATOM 240 SG CYS A 140 18.030 -14.147 2.601 1.00 0.00 S ATOM 0 H CYS A 140 14.136 -15.801 2.280 1.00 0.00 H new ATOM 0 HA CYS A 140 16.296 -15.814 4.117 1.00 0.00 H new ATOM 0 HB2 CYS A 140 16.416 -15.623 1.585 1.00 0.00 H new ATOM 0 HB3 CYS A 140 15.792 -13.991 1.716 1.00 0.00 H new ATOM 0 HG CYS A 140 18.626 -13.832 1.489 1.00 0.00 H new ATOM 246 N ILE A 141 14.616 -12.965 3.866 1.00 0.00 N ATOM 247 CA ILE A 141 14.320 -11.724 4.572 1.00 0.00 C ATOM 248 C ILE A 141 13.589 -12.012 5.879 1.00 0.00 C ATOM 249 O ILE A 141 13.665 -11.231 6.829 1.00 0.00 O ATOM 250 CB ILE A 141 13.460 -10.815 3.694 1.00 0.00 C ATOM 251 CG1 ILE A 141 12.380 -11.649 3.002 1.00 0.00 C ATOM 252 CG2 ILE A 141 14.339 -10.145 2.636 1.00 0.00 C ATOM 253 CD1 ILE A 141 11.271 -10.726 2.492 1.00 0.00 C ATOM 0 H ILE A 141 14.148 -13.064 2.965 1.00 0.00 H new ATOM 0 HA ILE A 141 15.262 -11.224 4.798 1.00 0.00 H new ATOM 0 HB ILE A 141 12.991 -10.051 4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 141 12.813 -12.208 2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 141 11.968 -12.380 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 141 13.725 -9.497 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 141 15.110 -9.551 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 141 14.809 -10.909 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 141 10.501 -11.320 1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 141 10.831 -10.187 3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 141 11.689 -10.013 1.782 1.00 0.00 H new ATOM 265 N THR A 142 12.883 -13.136 5.920 1.00 0.00 N ATOM 266 CA THR A 142 12.140 -13.516 7.117 1.00 0.00 C ATOM 267 C THR A 142 13.088 -13.696 8.299 1.00 0.00 C ATOM 268 O THR A 142 12.764 -13.323 9.427 1.00 0.00 O ATOM 269 CB THR A 142 11.379 -14.820 6.868 1.00 0.00 C ATOM 270 OG1 THR A 142 10.406 -14.612 5.853 1.00 0.00 O ATOM 271 CG2 THR A 142 10.687 -15.265 8.156 1.00 0.00 C ATOM 0 H THR A 142 12.809 -13.796 5.146 1.00 0.00 H new ATOM 0 HA THR A 142 11.431 -12.721 7.350 1.00 0.00 H new ATOM 0 HB THR A 142 12.078 -15.593 6.550 1.00 0.00 H new ATOM 0 HG1 THR A 142 10.842 -14.617 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 142 10.146 -16.194 7.976 1.00 0.00 H new ATOM 0 HG22 THR A 142 11.434 -15.425 8.934 1.00 0.00 H new ATOM 0 HG23 THR A 142 9.987 -14.494 8.478 1.00 0.00 H new ATOM 279 N SER A 143 14.255 -14.271 8.033 1.00 0.00 N ATOM 280 CA SER A 143 15.242 -14.494 9.084 1.00 0.00 C ATOM 281 C SER A 143 16.643 -14.159 8.584 1.00 0.00 C ATOM 282 O SER A 143 17.092 -14.683 7.564 1.00 0.00 O ATOM 283 CB SER A 143 15.197 -15.954 9.539 1.00 0.00 C ATOM 284 OG SER A 143 16.294 -16.209 10.408 1.00 0.00 O ATOM 0 H SER A 143 14.540 -14.589 7.107 1.00 0.00 H new ATOM 0 HA SER A 143 15.004 -13.843 9.925 1.00 0.00 H new ATOM 0 HB2 SER A 143 14.257 -16.159 10.051 1.00 0.00 H new ATOM 0 HB3 SER A 143 15.240 -16.618 8.675 1.00 0.00 H new ATOM 0 HG SER A 143 16.268 -17.143 10.703 1.00 0.00 H new ATOM 290 N THR A 144 17.331 -13.284 9.310 1.00 0.00 N ATOM 291 CA THR A 144 18.680 -12.885 8.931 1.00 0.00 C ATOM 292 C THR A 144 19.358 -12.135 10.075 1.00 0.00 C ATOM 293 O THR A 144 20.357 -11.445 9.873 1.00 0.00 O ATOM 294 CB THR A 144 18.632 -11.991 7.690 1.00 0.00 C ATOM 295 OG1 THR A 144 17.280 -11.777 7.315 1.00 0.00 O ATOM 296 CG2 THR A 144 19.383 -12.670 6.542 1.00 0.00 C ATOM 0 H THR A 144 16.979 -12.841 10.158 1.00 0.00 H new ATOM 0 HA THR A 144 19.255 -13.784 8.709 1.00 0.00 H new ATOM 0 HB THR A 144 19.102 -11.033 7.912 1.00 0.00 H new ATOM 0 HG1 THR A 144 17.010 -12.456 6.661 1.00 0.00 H new ATOM 0 HG21 THR A 144 19.349 -12.033 5.658 1.00 0.00 H new ATOM 0 HG22 THR A 144 20.421 -12.833 6.832 1.00 0.00 H new ATOM 0 HG23 THR A 144 18.915 -13.628 6.317 1.00 0.00 H new ATOM 304 N ASP A 145 18.808 -12.276 11.276 1.00 0.00 N ATOM 305 CA ASP A 145 19.366 -11.608 12.446 1.00 0.00 C ATOM 306 C ASP A 145 19.109 -12.428 13.707 1.00 0.00 C ATOM 307 O ASP A 145 18.454 -11.961 14.640 1.00 0.00 O ATOM 308 CB ASP A 145 18.741 -10.220 12.602 1.00 0.00 C ATOM 309 CG ASP A 145 18.664 -9.528 11.245 1.00 0.00 C ATOM 310 OD1 ASP A 145 17.835 -9.928 10.444 1.00 0.00 O1- ATOM 311 OD2 ASP A 145 19.436 -8.609 11.027 1.00 0.00 O ATOM 0 H ASP A 145 17.981 -12.843 11.465 1.00 0.00 H new ATOM 0 HA ASP A 145 20.442 -11.509 12.305 1.00 0.00 H new ATOM 0 HB2 ASP A 145 17.743 -10.307 13.032 1.00 0.00 H new ATOM 0 HB3 ASP A 145 19.334 -9.620 13.292 1.00 0.00 H new ATOM 316 N PRO A 146 19.609 -13.634 13.749 1.00 0.00 N ATOM 317 CA PRO A 146 19.432 -14.540 14.920 1.00 0.00 C ATOM 318 C PRO A 146 20.291 -14.117 16.109 1.00 0.00 C ATOM 319 O PRO A 146 21.511 -14.282 16.095 1.00 0.00 O ATOM 320 CB PRO A 146 19.868 -15.906 14.390 1.00 0.00 C ATOM 321 CG PRO A 146 20.814 -15.616 13.272 1.00 0.00 C ATOM 322 CD PRO A 146 20.401 -14.267 12.681 1.00 0.00 C ATOM 0 HA PRO A 146 18.408 -14.531 15.294 1.00 0.00 H new ATOM 0 HB2 PRO A 146 20.351 -16.494 15.170 1.00 0.00 H new ATOM 0 HB3 PRO A 146 19.012 -16.483 14.040 1.00 0.00 H new ATOM 0 HG2 PRO A 146 21.841 -15.581 13.634 1.00 0.00 H new ATOM 0 HG3 PRO A 146 20.770 -16.399 12.515 1.00 0.00 H new ATOM 0 HD2 PRO A 146 21.270 -13.664 12.419 1.00 0.00 H new ATOM 0 HD3 PRO A 146 19.814 -14.393 11.771 1.00 0.00 H new ATOM 330 N VAL A 147 19.645 -13.574 17.135 1.00 0.00 N ATOM 331 CA VAL A 147 20.361 -13.131 18.327 1.00 0.00 C ATOM 332 C VAL A 147 20.552 -14.291 19.298 1.00 0.00 C ATOM 333 O VAL A 147 20.910 -14.089 20.459 1.00 0.00 O ATOM 334 CB VAL A 147 19.583 -12.009 19.017 1.00 0.00 C ATOM 335 CG1 VAL A 147 19.351 -10.866 18.028 1.00 0.00 C ATOM 336 CG2 VAL A 147 18.233 -12.548 19.498 1.00 0.00 C ATOM 0 H VAL A 147 18.636 -13.431 17.167 1.00 0.00 H new ATOM 0 HA VAL A 147 21.340 -12.760 18.023 1.00 0.00 H new ATOM 0 HB VAL A 147 20.154 -11.641 19.870 1.00 0.00 H new ATOM 0 HG11 VAL A 147 18.797 -10.066 18.519 1.00 0.00 H new ATOM 0 HG12 VAL A 147 20.311 -10.483 17.683 1.00 0.00 H new ATOM 0 HG13 VAL A 147 18.779 -11.233 17.176 1.00 0.00 H new ATOM 0 HG21 VAL A 147 17.677 -11.750 19.990 1.00 0.00 H new ATOM 0 HG22 VAL A 147 17.663 -12.915 18.645 1.00 0.00 H new ATOM 0 HG23 VAL A 147 18.397 -13.364 20.202 1.00 0.00 H new ATOM 346 N LEU A 148 20.312 -15.507 18.815 1.00 0.00 N ATOM 347 CA LEU A 148 20.462 -16.693 19.650 1.00 0.00 C ATOM 348 C LEU A 148 21.933 -16.938 19.975 1.00 0.00 C ATOM 349 O LEU A 148 22.268 -17.406 21.063 1.00 0.00 O ATOM 350 CB LEU A 148 19.887 -17.915 18.930 1.00 0.00 C ATOM 351 CG LEU A 148 18.360 -17.829 18.922 1.00 0.00 C ATOM 352 CD1 LEU A 148 17.835 -18.196 17.533 1.00 0.00 C ATOM 353 CD2 LEU A 148 17.791 -18.806 19.955 1.00 0.00 C ATOM 0 H LEU A 148 20.015 -15.696 17.858 1.00 0.00 H new ATOM 0 HA LEU A 148 19.918 -16.530 20.580 1.00 0.00 H new ATOM 0 HB2 LEU A 148 20.265 -17.960 17.909 1.00 0.00 H new ATOM 0 HB3 LEU A 148 20.208 -18.829 19.429 1.00 0.00 H new ATOM 0 HG LEU A 148 18.052 -16.813 19.170 1.00 0.00 H new ATOM 0 HD11 LEU A 148 16.747 -18.135 17.527 1.00 0.00 H new ATOM 0 HD12 LEU A 148 18.241 -17.503 16.796 1.00 0.00 H new ATOM 0 HD13 LEU A 148 18.142 -19.212 17.285 1.00 0.00 H new ATOM 0 HD21 LEU A 148 16.703 -18.747 19.951 1.00 0.00 H new ATOM 0 HD22 LEU A 148 18.100 -19.821 19.705 1.00 0.00 H new ATOM 0 HD23 LEU A 148 18.165 -18.547 20.945 1.00 0.00 H new ATOM 365 N SER A 149 22.804 -16.620 19.024 1.00 0.00 N ATOM 366 CA SER A 149 24.236 -16.809 19.220 1.00 0.00 C ATOM 367 C SER A 149 24.708 -16.074 20.471 1.00 0.00 C ATOM 368 O SER A 149 25.619 -16.529 21.165 1.00 0.00 O ATOM 369 CB SER A 149 25.005 -16.293 18.003 1.00 0.00 C ATOM 370 OG SER A 149 24.383 -16.775 16.819 1.00 0.00 O ATOM 0 H SER A 149 22.546 -16.233 18.116 1.00 0.00 H new ATOM 0 HA SER A 149 24.427 -17.875 19.344 1.00 0.00 H new ATOM 0 HB2 SER A 149 25.020 -15.203 18.003 1.00 0.00 H new ATOM 0 HB3 SER A 149 26.042 -16.626 18.045 1.00 0.00 H new ATOM 0 HG SER A 149 24.871 -16.446 16.036 1.00 0.00 H new ATOM 376 N ALA A 150 24.084 -14.935 20.753 1.00 0.00 N ATOM 377 CA ALA A 150 24.449 -14.145 21.923 1.00 0.00 C ATOM 378 C ALA A 150 24.117 -14.902 23.206 1.00 0.00 C ATOM 379 O ALA A 150 24.659 -14.604 24.270 1.00 0.00 O ATOM 380 CB ALA A 150 23.699 -12.811 21.907 1.00 0.00 C ATOM 0 H ALA A 150 23.329 -14.541 20.192 1.00 0.00 H new ATOM 0 HA ALA A 150 25.523 -13.959 21.892 1.00 0.00 H new ATOM 0 HB1 ALA A 150 23.977 -12.227 22.784 1.00 0.00 H new ATOM 0 HB2 ALA A 150 23.960 -12.258 21.005 1.00 0.00 H new ATOM 0 HB3 ALA A 150 22.625 -12.997 21.921 1.00 0.00 H new ATOM 386 N LEU A 151 23.223 -15.879 23.097 1.00 0.00 N ATOM 387 CA LEU A 151 22.826 -16.671 24.253 1.00 0.00 C ATOM 388 C LEU A 151 23.970 -17.575 24.704 1.00 0.00 C ATOM 389 O LEU A 151 24.333 -17.594 25.879 1.00 0.00 O ATOM 390 CB LEU A 151 21.605 -17.524 23.908 1.00 0.00 C ATOM 391 CG LEU A 151 20.957 -18.033 25.197 1.00 0.00 C ATOM 392 CD1 LEU A 151 19.808 -17.103 25.594 1.00 0.00 C ATOM 393 CD2 LEU A 151 20.413 -19.445 24.970 1.00 0.00 C ATOM 0 H LEU A 151 22.763 -16.140 22.225 1.00 0.00 H new ATOM 0 HA LEU A 151 22.575 -15.990 25.066 1.00 0.00 H new ATOM 0 HB2 LEU A 151 20.888 -16.936 23.335 1.00 0.00 H new ATOM 0 HB3 LEU A 151 21.901 -18.365 23.281 1.00 0.00 H new ATOM 0 HG LEU A 151 21.701 -18.052 25.994 1.00 0.00 H new ATOM 0 HD11 LEU A 151 19.347 -17.466 26.512 1.00 0.00 H new ATOM 0 HD12 LEU A 151 20.194 -16.096 25.755 1.00 0.00 H new ATOM 0 HD13 LEU A 151 19.064 -17.083 24.798 1.00 0.00 H new ATOM 0 HD21 LEU A 151 19.951 -19.809 25.888 1.00 0.00 H new ATOM 0 HD22 LEU A 151 19.670 -19.425 24.173 1.00 0.00 H new ATOM 0 HD23 LEU A 151 21.230 -20.109 24.687 1.00 0.00 H new ATOM 405 N ILE A 152 24.532 -18.325 23.760 1.00 0.00 N ATOM 406 CA ILE A 152 25.633 -19.230 24.072 1.00 0.00 C ATOM 407 C ILE A 152 26.907 -18.443 24.364 1.00 0.00 C ATOM 408 O ILE A 152 27.668 -18.807 25.262 1.00 0.00 O ATOM 409 CB ILE A 152 25.874 -20.180 22.898 1.00 0.00 C ATOM 410 CG1 ILE A 152 24.669 -21.112 22.744 1.00 0.00 C ATOM 411 CG2 ILE A 152 27.129 -21.013 23.166 1.00 0.00 C ATOM 412 CD1 ILE A 152 24.760 -21.847 21.406 1.00 0.00 C ATOM 0 H ILE A 152 24.246 -18.324 22.781 1.00 0.00 H new ATOM 0 HA ILE A 152 25.366 -19.807 24.957 1.00 0.00 H new ATOM 0 HB ILE A 152 26.009 -19.602 21.984 1.00 0.00 H new ATOM 0 HG12 ILE A 152 24.644 -21.830 23.564 1.00 0.00 H new ATOM 0 HG13 ILE A 152 23.743 -20.538 22.794 1.00 0.00 H new ATOM 0 HG21 ILE A 152 27.301 -21.690 22.330 1.00 0.00 H new ATOM 0 HG22 ILE A 152 27.988 -20.351 23.280 1.00 0.00 H new ATOM 0 HG23 ILE A 152 26.993 -21.592 24.080 1.00 0.00 H new ATOM 0 HD11 ILE A 152 23.902 -22.511 21.296 1.00 0.00 H new ATOM 0 HD12 ILE A 152 24.764 -21.122 20.592 1.00 0.00 H new ATOM 0 HD13 ILE A 152 25.678 -22.433 21.375 1.00 0.00 H new ATOM 424 N VAL A 153 27.115 -17.369 23.596 1.00 0.00 N ATOM 425 CA VAL A 153 28.292 -16.500 23.741 1.00 0.00 C ATOM 426 C VAL A 153 29.453 -17.219 24.424 1.00 0.00 C ATOM 427 O VAL A 153 30.028 -16.716 25.390 1.00 0.00 O ATOM 428 CB VAL A 153 27.920 -15.239 24.533 1.00 0.00 C ATOM 429 CG1 VAL A 153 27.720 -15.579 26.012 1.00 0.00 C ATOM 430 CG2 VAL A 153 29.045 -14.210 24.400 1.00 0.00 C ATOM 0 H VAL A 153 26.475 -17.076 22.857 1.00 0.00 H new ATOM 0 HA VAL A 153 28.619 -16.222 22.739 1.00 0.00 H new ATOM 0 HB VAL A 153 26.991 -14.832 24.134 1.00 0.00 H new ATOM 0 HG11 VAL A 153 27.457 -14.675 26.561 1.00 0.00 H new ATOM 0 HG12 VAL A 153 26.918 -16.311 26.112 1.00 0.00 H new ATOM 0 HG13 VAL A 153 28.643 -15.994 26.418 1.00 0.00 H new ATOM 0 HG21 VAL A 153 28.785 -13.312 24.961 1.00 0.00 H new ATOM 0 HG22 VAL A 153 29.970 -14.630 24.795 1.00 0.00 H new ATOM 0 HG23 VAL A 153 29.182 -13.954 23.349 1.00 0.00 H new ATOM 440 N GLY A 154 29.794 -18.398 23.911 1.00 0.00 N ATOM 441 CA GLY A 154 30.889 -19.178 24.478 1.00 0.00 C ATOM 442 C GLY A 154 32.230 -18.494 24.230 1.00 0.00 C ATOM 443 O GLY A 154 32.357 -17.664 23.329 1.00 0.00 O ATOM 0 H GLY A 154 29.332 -18.831 23.111 1.00 0.00 H new ATOM 0 HA2 GLY A 154 30.734 -19.305 25.549 1.00 0.00 H new ATOM 0 HA3 GLY A 154 30.897 -20.175 24.037 1.00 0.00 H new TER 447 GLY A 154