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= -0.0437 K(o=-0.044,f=-0.57) USER MOD Single : A 130 ASN : amide:sc= -0.644 X(o=-0.64,f=-0.36) USER MOD Single : A 134 SER OG : rot 88:sc= 0.705 USER MOD Single : A 140 CYS SG : rot 180:sc= 0 USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 143 SER OG : rot -58:sc= 1.23 USER MOD Single : A 144 THR OG1 : rot 51:sc= 1.02 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 19.324 -23.636 -0.019 1.00 0.00 N ATOM 2 CA LEU A 125 20.196 -22.818 -0.853 1.00 0.00 C ATOM 3 C LEU A 125 19.854 -23.002 -2.328 1.00 0.00 C ATOM 4 O LEU A 125 20.200 -24.015 -2.935 1.00 0.00 O ATOM 5 CB LEU A 125 21.658 -23.206 -0.616 1.00 0.00 C ATOM 6 CG LEU A 125 22.556 -21.996 -0.876 1.00 0.00 C ATOM 7 CD1 LEU A 125 22.680 -21.166 0.402 1.00 0.00 C ATOM 8 CD2 LEU A 125 23.944 -22.477 -1.308 1.00 0.00 C ATOM 0 HA LEU A 125 20.048 -21.772 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 125 21.791 -23.557 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 125 21.938 -24.028 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 125 22.120 -21.383 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 125 23.320 -20.304 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 125 21.692 -20.824 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 125 23.116 -21.777 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 125 24.586 -21.616 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 125 24.379 -23.090 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 125 23.857 -23.068 -2.220 1.00 0.00 H new ATOM 20 N PHE A 126 19.171 -22.014 -2.898 1.00 0.00 N ATOM 21 CA PHE A 126 18.786 -22.076 -4.303 1.00 0.00 C ATOM 22 C PHE A 126 18.141 -23.421 -4.623 1.00 0.00 C ATOM 23 O PHE A 126 18.697 -24.228 -5.367 1.00 0.00 O ATOM 24 CB PHE A 126 20.016 -21.875 -5.192 1.00 0.00 C ATOM 25 CG PHE A 126 20.284 -20.398 -5.353 1.00 0.00 C ATOM 26 CD1 PHE A 126 20.833 -19.666 -4.293 1.00 0.00 C ATOM 27 CD2 PHE A 126 19.984 -19.760 -6.563 1.00 0.00 C ATOM 28 CE1 PHE A 126 21.081 -18.297 -4.443 1.00 0.00 C ATOM 29 CE2 PHE A 126 20.233 -18.390 -6.712 1.00 0.00 C ATOM 30 CZ PHE A 126 20.782 -17.659 -5.652 1.00 0.00 C ATOM 0 H PHE A 126 18.875 -21.167 -2.413 1.00 0.00 H new ATOM 0 HA PHE A 126 18.064 -21.283 -4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 126 20.882 -22.367 -4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 126 19.852 -22.334 -6.167 1.00 0.00 H new ATOM 0 HD1 PHE A 126 21.065 -20.158 -3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 126 19.561 -20.324 -7.381 1.00 0.00 H new ATOM 0 HE1 PHE A 126 21.504 -17.732 -3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 126 20.001 -17.897 -7.645 1.00 0.00 H new ATOM 0 HZ PHE A 126 20.975 -16.603 -5.767 1.00 0.00 H new ATOM 40 N PRO A 127 16.983 -23.668 -4.073 1.00 0.00 N ATOM 41 CA PRO A 127 16.237 -24.939 -4.297 1.00 0.00 C ATOM 42 C PRO A 127 16.164 -25.310 -5.776 1.00 0.00 C ATOM 43 O PRO A 127 16.621 -24.560 -6.638 1.00 0.00 O ATOM 44 CB PRO A 127 14.844 -24.646 -3.737 1.00 0.00 C ATOM 45 CG PRO A 127 15.040 -23.563 -2.727 1.00 0.00 C ATOM 46 CD PRO A 127 16.257 -22.755 -3.177 1.00 0.00 C ATOM 0 HA PRO A 127 16.723 -25.789 -3.817 1.00 0.00 H new ATOM 0 HB2 PRO A 127 14.163 -24.328 -4.526 1.00 0.00 H new ATOM 0 HB3 PRO A 127 14.410 -25.535 -3.280 1.00 0.00 H new ATOM 0 HG2 PRO A 127 14.156 -22.928 -2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 127 15.201 -23.984 -1.735 1.00 0.00 H new ATOM 0 HD2 PRO A 127 15.960 -21.842 -3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 127 16.873 -22.456 -2.329 1.00 0.00 H new ATOM 54 N GLN A 128 15.584 -26.472 -6.060 1.00 0.00 N ATOM 55 CA GLN A 128 15.455 -26.932 -7.439 1.00 0.00 C ATOM 56 C GLN A 128 14.305 -26.217 -8.138 1.00 0.00 C ATOM 57 O GLN A 128 14.420 -25.821 -9.299 1.00 0.00 O ATOM 58 CB GLN A 128 15.212 -28.442 -7.465 1.00 0.00 C ATOM 59 CG GLN A 128 13.895 -28.759 -6.754 1.00 0.00 C ATOM 60 CD GLN A 128 13.881 -30.217 -6.307 1.00 0.00 C ATOM 61 OE1 GLN A 128 14.858 -30.701 -5.737 1.00 0.00 O ATOM 62 NE2 GLN A 128 12.824 -30.948 -6.532 1.00 0.00 N ATOM 0 H GLN A 128 15.199 -27.107 -5.361 1.00 0.00 H new ATOM 0 HA GLN A 128 16.382 -26.704 -7.966 1.00 0.00 H new ATOM 0 HB2 GLN A 128 15.176 -28.798 -8.495 1.00 0.00 H new ATOM 0 HB3 GLN A 128 16.036 -28.962 -6.976 1.00 0.00 H new ATOM 0 HG2 GLN A 128 13.771 -28.104 -5.891 1.00 0.00 H new ATOM 0 HG3 GLN A 128 13.056 -28.567 -7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 128 12.016 -30.544 -7.005 1.00 0.00 H new ATOM 0 HE22 GLN A 128 12.806 -31.924 -6.235 1.00 0.00 H new ATOM 71 N ILE A 129 13.196 -26.055 -7.426 1.00 0.00 N ATOM 72 CA ILE A 129 12.028 -25.385 -7.987 1.00 0.00 C ATOM 73 C ILE A 129 12.284 -23.888 -8.126 1.00 0.00 C ATOM 74 O ILE A 129 12.122 -23.129 -7.170 1.00 0.00 O ATOM 75 CB ILE A 129 10.811 -25.616 -7.091 1.00 0.00 C ATOM 76 CG1 ILE A 129 11.280 -26.014 -5.690 1.00 0.00 C ATOM 77 CG2 ILE A 129 9.949 -26.735 -7.676 1.00 0.00 C ATOM 78 CD1 ILE A 129 10.105 -25.923 -4.713 1.00 0.00 C ATOM 0 H ILE A 129 13.081 -26.376 -6.465 1.00 0.00 H new ATOM 0 HA ILE A 129 11.834 -25.802 -8.975 1.00 0.00 H new ATOM 0 HB ILE A 129 10.224 -24.699 -7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 129 11.678 -27.029 -5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 129 12.088 -25.358 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 129 9.082 -26.899 -7.036 1.00 0.00 H new ATOM 0 HG22 ILE A 129 9.615 -26.453 -8.675 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.535 -27.652 -7.735 1.00 0.00 H new ATOM 0 HD11 ILE A 129 10.439 -26.207 -3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 129 9.727 -24.901 -4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 129 9.311 -26.597 -5.035 1.00 0.00 H new ATOM 90 N ASN A 130 12.686 -23.469 -9.322 1.00 0.00 N ATOM 91 CA ASN A 130 12.962 -22.060 -9.573 1.00 0.00 C ATOM 92 C ASN A 130 11.673 -21.245 -9.527 1.00 0.00 C ATOM 93 O ASN A 130 11.685 -20.066 -9.171 1.00 0.00 O ATOM 94 CB ASN A 130 13.623 -21.893 -10.943 1.00 0.00 C ATOM 95 CG ASN A 130 13.075 -22.930 -11.916 1.00 0.00 C ATOM 96 OD1 ASN A 130 12.005 -22.738 -12.493 1.00 0.00 O ATOM 97 ND2 ASN A 130 13.749 -24.026 -12.135 1.00 0.00 N ATOM 0 H ASN A 130 12.827 -24.080 -10.126 1.00 0.00 H new ATOM 0 HA ASN A 130 13.636 -21.698 -8.797 1.00 0.00 H new ATOM 0 HB2 ASN A 130 13.437 -20.889 -11.326 1.00 0.00 H new ATOM 0 HB3 ASN A 130 14.703 -22.004 -10.851 1.00 0.00 H new ATOM 0 HD21 ASN A 130 13.389 -24.725 -12.785 1.00 0.00 H new ATOM 0 HD22 ASN A 130 14.636 -24.184 -11.656 1.00 0.00 H new ATOM 104 N PHE A 131 10.563 -21.880 -9.886 1.00 0.00 N ATOM 105 CA PHE A 131 9.271 -21.204 -9.881 1.00 0.00 C ATOM 106 C PHE A 131 8.922 -20.728 -8.475 1.00 0.00 C ATOM 107 O PHE A 131 8.824 -19.527 -8.221 1.00 0.00 O ATOM 108 CB PHE A 131 8.182 -22.153 -10.387 1.00 0.00 C ATOM 109 CG PHE A 131 7.231 -21.396 -11.282 1.00 0.00 C ATOM 110 CD1 PHE A 131 7.483 -21.306 -12.656 1.00 0.00 C ATOM 111 CD2 PHE A 131 6.095 -20.784 -10.737 1.00 0.00 C ATOM 112 CE1 PHE A 131 6.601 -20.603 -13.485 1.00 0.00 C ATOM 113 CE2 PHE A 131 5.213 -20.082 -11.567 1.00 0.00 C ATOM 114 CZ PHE A 131 5.466 -19.992 -12.941 1.00 0.00 C ATOM 0 H PHE A 131 10.531 -22.855 -10.182 1.00 0.00 H new ATOM 0 HA PHE A 131 9.332 -20.338 -10.541 1.00 0.00 H new ATOM 0 HB2 PHE A 131 8.632 -22.981 -10.934 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.640 -22.584 -9.545 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.358 -21.779 -13.077 1.00 0.00 H new ATOM 0 HD2 PHE A 131 5.900 -20.854 -9.677 1.00 0.00 H new ATOM 0 HE1 PHE A 131 6.797 -20.532 -14.545 1.00 0.00 H new ATOM 0 HE2 PHE A 131 4.337 -19.610 -11.147 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.785 -19.451 -13.581 1.00 0.00 H new ATOM 124 N LEU A 132 8.732 -21.678 -7.564 1.00 0.00 N ATOM 125 CA LEU A 132 8.394 -21.343 -6.185 1.00 0.00 C ATOM 126 C LEU A 132 9.513 -20.534 -5.539 1.00 0.00 C ATOM 127 O LEU A 132 9.267 -19.688 -4.680 1.00 0.00 O ATOM 128 CB LEU A 132 8.156 -22.623 -5.381 1.00 0.00 C ATOM 129 CG LEU A 132 6.664 -22.766 -5.077 1.00 0.00 C ATOM 130 CD1 LEU A 132 5.876 -22.805 -6.388 1.00 0.00 C ATOM 131 CD2 LEU A 132 6.425 -24.063 -4.301 1.00 0.00 C ATOM 0 H LEU A 132 8.806 -22.678 -7.753 1.00 0.00 H new ATOM 0 HA LEU A 132 7.485 -20.742 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 132 8.508 -23.488 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 132 8.726 -22.593 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 132 6.332 -21.917 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.813 -22.907 -6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 132 6.046 -21.882 -6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 132 6.207 -23.654 -6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.362 -24.166 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.757 -24.911 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 132 6.986 -24.036 -3.367 1.00 0.00 H new ATOM 143 N GLY A 133 10.747 -20.802 -5.959 1.00 0.00 N ATOM 144 CA GLY A 133 11.899 -20.093 -5.413 1.00 0.00 C ATOM 145 C GLY A 133 11.594 -18.609 -5.237 1.00 0.00 C ATOM 146 O GLY A 133 12.247 -17.919 -4.455 1.00 0.00 O ATOM 0 H GLY A 133 10.973 -21.499 -6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 133 12.176 -20.527 -4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 133 12.754 -20.216 -6.077 1.00 0.00 H new ATOM 150 N SER A 134 10.597 -18.123 -5.970 1.00 0.00 N ATOM 151 CA SER A 134 10.214 -16.720 -5.887 1.00 0.00 C ATOM 152 C SER A 134 9.626 -16.403 -4.516 1.00 0.00 C ATOM 153 O SER A 134 10.234 -15.686 -3.720 1.00 0.00 O ATOM 154 CB SER A 134 9.185 -16.394 -6.970 1.00 0.00 C ATOM 155 OG SER A 134 9.704 -16.774 -8.238 1.00 0.00 O ATOM 0 H SER A 134 10.044 -18.677 -6.624 1.00 0.00 H new ATOM 0 HA SER A 134 11.106 -16.112 -6.037 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.252 -16.922 -6.773 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.956 -15.328 -6.962 1.00 0.00 H new ATOM 0 HG SER A 134 9.480 -17.711 -8.416 1.00 0.00 H new ATOM 161 N LEU A 135 8.441 -16.941 -4.246 1.00 0.00 N ATOM 162 CA LEU A 135 7.780 -16.707 -2.966 1.00 0.00 C ATOM 163 C LEU A 135 8.571 -17.345 -1.827 1.00 0.00 C ATOM 164 O LEU A 135 8.516 -16.884 -0.687 1.00 0.00 O ATOM 165 CB LEU A 135 6.366 -17.289 -2.996 1.00 0.00 C ATOM 166 CG LEU A 135 5.343 -16.153 -2.918 1.00 0.00 C ATOM 167 CD1 LEU A 135 3.937 -16.717 -3.126 1.00 0.00 C ATOM 168 CD2 LEU A 135 5.426 -15.486 -1.544 1.00 0.00 C ATOM 0 H LEU A 135 7.922 -17.537 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 135 7.728 -15.631 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.218 -17.864 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.226 -17.976 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 135 5.558 -15.417 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.209 -15.908 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.877 -17.193 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.722 -17.453 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.698 -14.677 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.212 -16.222 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.428 -15.083 -1.395 1.00 0.00 H new ATOM 180 N LEU A 136 9.303 -18.407 -2.143 1.00 0.00 N ATOM 181 CA LEU A 136 10.099 -19.101 -1.138 1.00 0.00 C ATOM 182 C LEU A 136 11.196 -18.188 -0.600 1.00 0.00 C ATOM 183 O LEU A 136 11.739 -18.423 0.480 1.00 0.00 O ATOM 184 CB LEU A 136 10.729 -20.357 -1.745 1.00 0.00 C ATOM 185 CG LEU A 136 10.170 -21.597 -1.048 1.00 0.00 C ATOM 186 CD1 LEU A 136 10.685 -22.854 -1.751 1.00 0.00 C ATOM 187 CD2 LEU A 136 10.626 -21.611 0.413 1.00 0.00 C ATOM 0 H LEU A 136 9.362 -18.804 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 136 9.443 -19.386 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 136 10.519 -20.402 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.813 -20.323 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 136 9.081 -21.576 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 136 10.286 -23.738 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 136 10.362 -22.847 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 136 11.774 -22.874 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 136 10.227 -22.495 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 136 11.715 -21.632 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 136 10.261 -20.716 0.917 1.00 0.00 H new ATOM 199 N ILE A 137 11.520 -17.148 -1.361 1.00 0.00 N ATOM 200 CA ILE A 137 12.556 -16.206 -0.948 1.00 0.00 C ATOM 201 C ILE A 137 12.105 -15.413 0.273 1.00 0.00 C ATOM 202 O ILE A 137 12.925 -14.846 0.997 1.00 0.00 O ATOM 203 CB ILE A 137 12.874 -15.245 -2.095 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.298 -14.708 -1.928 1.00 0.00 C ATOM 205 CG2 ILE A 137 11.886 -14.077 -2.074 1.00 0.00 C ATOM 206 CD1 ILE A 137 15.276 -15.615 -2.679 1.00 0.00 C ATOM 0 H ILE A 137 11.085 -16.936 -2.259 1.00 0.00 H new ATOM 0 HA ILE A 137 13.451 -16.771 -0.688 1.00 0.00 H new ATOM 0 HB ILE A 137 12.791 -15.774 -3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 137 14.362 -13.690 -2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.561 -14.667 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 137 12.114 -13.393 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 137 10.871 -14.457 -2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 137 11.968 -13.548 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 137 16.290 -15.233 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.219 -16.626 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.016 -15.633 -3.737 1.00 0.00 H new ATOM 218 N ALA A 138 10.796 -15.378 0.500 1.00 0.00 N ATOM 219 CA ALA A 138 10.246 -14.650 1.638 1.00 0.00 C ATOM 220 C ALA A 138 10.872 -15.142 2.939 1.00 0.00 C ATOM 221 O ALA A 138 10.845 -14.446 3.954 1.00 0.00 O ATOM 222 CB ALA A 138 8.730 -14.839 1.696 1.00 0.00 C ATOM 0 H ALA A 138 10.100 -15.842 -0.084 1.00 0.00 H new ATOM 0 HA ALA A 138 10.475 -13.591 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 138 8.328 -14.292 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 138 8.281 -14.461 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 138 8.499 -15.899 1.803 1.00 0.00 H new ATOM 228 N GLY A 139 11.435 -16.345 2.902 1.00 0.00 N ATOM 229 CA GLY A 139 12.065 -16.919 4.085 1.00 0.00 C ATOM 230 C GLY A 139 13.453 -16.327 4.306 1.00 0.00 C ATOM 231 O GLY A 139 13.972 -16.335 5.423 1.00 0.00 O ATOM 0 H GLY A 139 11.468 -16.938 2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 139 11.442 -16.732 4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 139 12.141 -18.001 3.973 1.00 0.00 H new ATOM 235 N CYS A 140 14.048 -15.814 3.235 1.00 0.00 N ATOM 236 CA CYS A 140 15.376 -15.218 3.323 1.00 0.00 C ATOM 237 C CYS A 140 15.343 -13.962 4.187 1.00 0.00 C ATOM 238 O CYS A 140 16.342 -13.597 4.806 1.00 0.00 O ATOM 239 CB CYS A 140 15.884 -14.865 1.924 1.00 0.00 C ATOM 240 SG CYS A 140 17.673 -14.589 1.983 1.00 0.00 S ATOM 0 H CYS A 140 13.636 -15.798 2.302 1.00 0.00 H new ATOM 0 HA CYS A 140 16.049 -15.942 3.781 1.00 0.00 H new ATOM 0 HB2 CYS A 140 15.652 -15.671 1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 140 15.379 -13.971 1.557 1.00 0.00 H new ATOM 0 HG CYS A 140 18.106 -14.291 0.794 1.00 0.00 H new ATOM 246 N ILE A 141 14.189 -13.303 4.223 1.00 0.00 N ATOM 247 CA ILE A 141 14.039 -12.088 5.013 1.00 0.00 C ATOM 248 C ILE A 141 14.207 -12.391 6.499 1.00 0.00 C ATOM 249 O ILE A 141 15.015 -11.763 7.183 1.00 0.00 O ATOM 250 CB ILE A 141 12.660 -11.473 4.770 1.00 0.00 C ATOM 251 CG1 ILE A 141 12.378 -11.438 3.266 1.00 0.00 C ATOM 252 CG2 ILE A 141 12.628 -10.049 5.327 1.00 0.00 C ATOM 253 CD1 ILE A 141 11.061 -10.702 3.011 1.00 0.00 C ATOM 0 H ILE A 141 13.350 -13.588 3.718 1.00 0.00 H new ATOM 0 HA ILE A 141 14.811 -11.382 4.707 1.00 0.00 H new ATOM 0 HB ILE A 141 11.901 -12.074 5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 141 13.194 -10.938 2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 141 12.322 -12.453 2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 141 11.645 -9.612 5.153 1.00 0.00 H new ATOM 0 HG22 ILE A 141 12.830 -10.073 6.398 1.00 0.00 H new ATOM 0 HG23 ILE A 141 13.386 -9.446 4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 141 10.860 -10.677 1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 141 10.249 -11.221 3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 141 11.134 -9.683 3.390 1.00 0.00 H new ATOM 265 N THR A 142 13.440 -13.358 6.991 1.00 0.00 N ATOM 266 CA THR A 142 13.513 -13.737 8.397 1.00 0.00 C ATOM 267 C THR A 142 14.911 -14.236 8.746 1.00 0.00 C ATOM 268 O THR A 142 15.636 -13.597 9.510 1.00 0.00 O ATOM 269 CB THR A 142 12.487 -14.832 8.698 1.00 0.00 C ATOM 270 OG1 THR A 142 12.540 -15.819 7.676 1.00 0.00 O ATOM 271 CG2 THR A 142 11.086 -14.223 8.749 1.00 0.00 C ATOM 0 H THR A 142 12.765 -13.890 6.442 1.00 0.00 H new ATOM 0 HA THR A 142 13.292 -12.858 9.002 1.00 0.00 H new ATOM 0 HB THR A 142 12.715 -15.290 9.661 1.00 0.00 H new ATOM 0 HG1 THR A 142 11.885 -16.523 7.867 1.00 0.00 H new ATOM 0 HG21 THR A 142 10.357 -15.005 8.963 1.00 0.00 H new ATOM 0 HG22 THR A 142 11.047 -13.466 9.532 1.00 0.00 H new ATOM 0 HG23 THR A 142 10.854 -13.764 7.788 1.00 0.00 H new ATOM 279 N SER A 143 15.284 -15.379 8.181 1.00 0.00 N ATOM 280 CA SER A 143 16.598 -15.956 8.439 1.00 0.00 C ATOM 281 C SER A 143 16.803 -16.175 9.934 1.00 0.00 C ATOM 282 O SER A 143 16.137 -15.551 10.761 1.00 0.00 O ATOM 283 CB SER A 143 17.688 -15.028 7.905 1.00 0.00 C ATOM 284 OG SER A 143 18.158 -14.198 8.961 1.00 0.00 O ATOM 0 H SER A 143 14.699 -15.921 7.545 1.00 0.00 H new ATOM 0 HA SER A 143 16.658 -16.918 7.931 1.00 0.00 H new ATOM 0 HB2 SER A 143 18.510 -15.613 7.493 1.00 0.00 H new ATOM 0 HB3 SER A 143 17.295 -14.416 7.093 1.00 0.00 H new ATOM 0 HG SER A 143 17.410 -13.684 9.331 1.00 0.00 H new ATOM 290 N THR A 144 17.727 -17.066 10.276 1.00 0.00 N ATOM 291 CA THR A 144 18.011 -17.361 11.676 1.00 0.00 C ATOM 292 C THR A 144 19.189 -16.528 12.170 1.00 0.00 C ATOM 293 O THR A 144 20.345 -16.931 12.039 1.00 0.00 O ATOM 294 CB THR A 144 18.328 -18.849 11.844 1.00 0.00 C ATOM 295 OG1 THR A 144 19.445 -19.186 11.033 1.00 0.00 O ATOM 296 CG2 THR A 144 17.118 -19.682 11.420 1.00 0.00 C ATOM 0 H THR A 144 18.289 -17.594 9.608 1.00 0.00 H new ATOM 0 HA THR A 144 17.130 -17.110 12.267 1.00 0.00 H new ATOM 0 HB THR A 144 18.560 -19.056 12.889 1.00 0.00 H new ATOM 0 HG1 THR A 144 20.176 -18.557 11.205 1.00 0.00 H new ATOM 0 HG21 THR A 144 17.345 -20.741 11.540 1.00 0.00 H new ATOM 0 HG22 THR A 144 16.261 -19.422 12.042 1.00 0.00 H new ATOM 0 HG23 THR A 144 16.884 -19.478 10.375 1.00 0.00 H new ATOM 304 N ASP A 145 18.888 -15.366 12.741 1.00 0.00 N ATOM 305 CA ASP A 145 19.931 -14.485 13.252 1.00 0.00 C ATOM 306 C ASP A 145 20.564 -15.081 14.508 1.00 0.00 C ATOM 307 O ASP A 145 19.982 -15.954 15.150 1.00 0.00 O ATOM 308 CB ASP A 145 19.335 -13.113 13.577 1.00 0.00 C ATOM 309 CG ASP A 145 19.826 -12.080 12.568 1.00 0.00 C ATOM 310 OD1 ASP A 145 19.715 -12.342 11.381 1.00 0.00 O ATOM 311 OD2 ASP A 145 20.303 -11.042 12.995 1.00 0.00 O1- ATOM 0 H ASP A 145 17.938 -15.015 12.861 1.00 0.00 H new ATOM 0 HA ASP A 145 20.701 -14.375 12.489 1.00 0.00 H new ATOM 0 HB2 ASP A 145 18.246 -13.166 13.556 1.00 0.00 H new ATOM 0 HB3 ASP A 145 19.620 -12.813 14.585 1.00 0.00 H new ATOM 316 N PRO A 146 21.738 -14.628 14.868 1.00 0.00 N ATOM 317 CA PRO A 146 22.456 -15.132 16.076 1.00 0.00 C ATOM 318 C PRO A 146 21.762 -14.716 17.370 1.00 0.00 C ATOM 319 O PRO A 146 20.641 -14.209 17.350 1.00 0.00 O ATOM 320 CB PRO A 146 23.846 -14.495 15.972 1.00 0.00 C ATOM 321 CG PRO A 146 23.669 -13.288 15.115 1.00 0.00 C ATOM 322 CD PRO A 146 22.509 -13.589 14.166 1.00 0.00 C ATOM 0 HA PRO A 146 22.486 -16.221 16.107 1.00 0.00 H new ATOM 0 HB2 PRO A 146 24.228 -14.225 16.956 1.00 0.00 H new ATOM 0 HB3 PRO A 146 24.563 -15.188 15.531 1.00 0.00 H new ATOM 0 HG2 PRO A 146 23.453 -12.410 15.723 1.00 0.00 H new ATOM 0 HG3 PRO A 146 24.580 -13.073 14.557 1.00 0.00 H new ATOM 0 HD2 PRO A 146 21.905 -12.701 13.979 1.00 0.00 H new ATOM 0 HD3 PRO A 146 22.866 -13.941 13.198 1.00 0.00 H new ATOM 330 N VAL A 147 22.438 -14.936 18.494 1.00 0.00 N ATOM 331 CA VAL A 147 21.877 -14.582 19.793 1.00 0.00 C ATOM 332 C VAL A 147 22.937 -13.925 20.674 1.00 0.00 C ATOM 333 O VAL A 147 22.617 -13.131 21.558 1.00 0.00 O ATOM 334 CB VAL A 147 21.338 -15.833 20.488 1.00 0.00 C ATOM 335 CG1 VAL A 147 20.293 -15.429 21.531 1.00 0.00 C ATOM 336 CG2 VAL A 147 20.689 -16.752 19.450 1.00 0.00 C ATOM 0 H VAL A 147 23.368 -15.354 18.532 1.00 0.00 H new ATOM 0 HA VAL A 147 21.063 -13.875 19.635 1.00 0.00 H new ATOM 0 HB VAL A 147 22.158 -16.357 20.979 1.00 0.00 H new ATOM 0 HG11 VAL A 147 19.909 -16.321 22.026 1.00 0.00 H new ATOM 0 HG12 VAL A 147 20.752 -14.773 22.270 1.00 0.00 H new ATOM 0 HG13 VAL A 147 19.473 -14.905 21.040 1.00 0.00 H new ATOM 0 HG21 VAL A 147 20.304 -17.644 19.944 1.00 0.00 H new ATOM 0 HG22 VAL A 147 19.869 -16.226 18.961 1.00 0.00 H new ATOM 0 HG23 VAL A 147 21.431 -17.041 18.705 1.00 0.00 H new ATOM 346 N LEU A 148 24.197 -14.262 20.423 1.00 0.00 N ATOM 347 CA LEU A 148 25.296 -13.699 21.200 1.00 0.00 C ATOM 348 C LEU A 148 25.463 -12.214 20.893 1.00 0.00 C ATOM 349 O LEU A 148 25.810 -11.424 21.769 1.00 0.00 O ATOM 350 CB LEU A 148 26.596 -14.438 20.878 1.00 0.00 C ATOM 351 CG LEU A 148 26.699 -14.657 19.369 1.00 0.00 C ATOM 352 CD1 LEU A 148 28.129 -14.372 18.908 1.00 0.00 C ATOM 353 CD2 LEU A 148 26.338 -16.107 19.038 1.00 0.00 C ATOM 0 H LEU A 148 24.482 -14.916 19.694 1.00 0.00 H new ATOM 0 HA LEU A 148 25.065 -13.816 22.259 1.00 0.00 H new ATOM 0 HB2 LEU A 148 27.451 -13.862 21.232 1.00 0.00 H new ATOM 0 HB3 LEU A 148 26.620 -15.396 21.397 1.00 0.00 H new ATOM 0 HG LEU A 148 26.011 -13.984 18.857 1.00 0.00 H new ATOM 0 HD11 LEU A 148 28.202 -14.528 17.832 1.00 0.00 H new ATOM 0 HD12 LEU A 148 28.388 -13.340 19.143 1.00 0.00 H new ATOM 0 HD13 LEU A 148 28.817 -15.045 19.420 1.00 0.00 H new ATOM 0 HD21 LEU A 148 26.411 -16.264 17.962 1.00 0.00 H new ATOM 0 HD22 LEU A 148 27.026 -16.779 19.550 1.00 0.00 H new ATOM 0 HD23 LEU A 148 25.319 -16.312 19.366 1.00 0.00 H new ATOM 365 N SER A 149 25.213 -11.842 19.642 1.00 0.00 N ATOM 366 CA SER A 149 25.339 -10.449 19.229 1.00 0.00 C ATOM 367 C SER A 149 24.469 -9.550 20.102 1.00 0.00 C ATOM 368 O SER A 149 24.880 -8.455 20.484 1.00 0.00 O ATOM 369 CB SER A 149 24.922 -10.298 17.765 1.00 0.00 C ATOM 370 OG SER A 149 24.389 -8.996 17.561 1.00 0.00 O ATOM 0 H SER A 149 24.924 -12.481 18.901 1.00 0.00 H new ATOM 0 HA SER A 149 26.381 -10.149 19.343 1.00 0.00 H new ATOM 0 HB2 SER A 149 25.780 -10.459 17.112 1.00 0.00 H new ATOM 0 HB3 SER A 149 24.179 -11.052 17.507 1.00 0.00 H new ATOM 0 HG SER A 149 24.122 -8.895 16.623 1.00 0.00 H new ATOM 376 N ALA A 150 23.267 -10.023 20.416 1.00 0.00 N ATOM 377 CA ALA A 150 22.346 -9.253 21.245 1.00 0.00 C ATOM 378 C ALA A 150 22.898 -9.102 22.659 1.00 0.00 C ATOM 379 O ALA A 150 22.572 -8.149 23.365 1.00 0.00 O ATOM 380 CB ALA A 150 20.985 -9.947 21.298 1.00 0.00 C ATOM 0 H ALA A 150 22.910 -10.929 20.112 1.00 0.00 H new ATOM 0 HA ALA A 150 22.231 -8.263 20.804 1.00 0.00 H new ATOM 0 HB1 ALA A 150 20.304 -9.365 21.919 1.00 0.00 H new ATOM 0 HB2 ALA A 150 20.578 -10.027 20.290 1.00 0.00 H new ATOM 0 HB3 ALA A 150 21.101 -10.944 21.723 1.00 0.00 H new ATOM 386 N LEU A 151 23.737 -10.050 23.066 1.00 0.00 N ATOM 387 CA LEU A 151 24.327 -10.013 24.399 1.00 0.00 C ATOM 388 C LEU A 151 25.336 -8.872 24.502 1.00 0.00 C ATOM 389 O LEU A 151 25.349 -8.128 25.483 1.00 0.00 O ATOM 390 CB LEU A 151 25.028 -11.345 24.697 1.00 0.00 C ATOM 391 CG LEU A 151 24.583 -11.890 26.059 1.00 0.00 C ATOM 392 CD1 LEU A 151 24.830 -10.841 27.147 1.00 0.00 C ATOM 393 CD2 LEU A 151 23.092 -12.239 26.014 1.00 0.00 C ATOM 0 H LEU A 151 24.022 -10.847 22.497 1.00 0.00 H new ATOM 0 HA LEU A 151 23.532 -9.850 25.126 1.00 0.00 H new ATOM 0 HB2 LEU A 151 24.796 -12.068 23.915 1.00 0.00 H new ATOM 0 HB3 LEU A 151 26.109 -11.204 24.690 1.00 0.00 H new ATOM 0 HG LEU A 151 25.159 -12.787 26.288 1.00 0.00 H new ATOM 0 HD11 LEU A 151 24.511 -11.236 28.112 1.00 0.00 H new ATOM 0 HD12 LEU A 151 25.892 -10.601 27.186 1.00 0.00 H new ATOM 0 HD13 LEU A 151 24.262 -9.939 26.918 1.00 0.00 H new ATOM 0 HD21 LEU A 151 22.779 -12.626 26.984 1.00 0.00 H new ATOM 0 HD22 LEU A 151 22.516 -11.344 25.778 1.00 0.00 H new ATOM 0 HD23 LEU A 151 22.918 -12.995 25.248 1.00 0.00 H new ATOM 405 N ILE A 152 26.178 -8.738 23.482 1.00 0.00 N ATOM 406 CA ILE A 152 27.185 -7.685 23.468 1.00 0.00 C ATOM 407 C ILE A 152 26.533 -6.322 23.252 1.00 0.00 C ATOM 408 O ILE A 152 26.684 -5.415 24.069 1.00 0.00 O ATOM 409 CB ILE A 152 28.200 -7.948 22.355 1.00 0.00 C ATOM 410 CG1 ILE A 152 28.565 -9.434 22.340 1.00 0.00 C ATOM 411 CG2 ILE A 152 29.461 -7.118 22.607 1.00 0.00 C ATOM 412 CD1 ILE A 152 29.666 -9.679 21.308 1.00 0.00 C ATOM 0 H ILE A 152 26.183 -9.342 22.660 1.00 0.00 H new ATOM 0 HA ILE A 152 27.694 -7.683 24.432 1.00 0.00 H new ATOM 0 HB ILE A 152 27.766 -7.669 21.395 1.00 0.00 H new ATOM 0 HG12 ILE A 152 28.902 -9.746 23.328 1.00 0.00 H new ATOM 0 HG13 ILE A 152 27.687 -10.033 22.099 1.00 0.00 H new ATOM 0 HG21 ILE A 152 30.185 -7.305 21.814 1.00 0.00 H new ATOM 0 HG22 ILE A 152 29.203 -6.059 22.620 1.00 0.00 H new ATOM 0 HG23 ILE A 152 29.895 -7.398 23.567 1.00 0.00 H new ATOM 0 HD11 ILE A 152 29.926 -10.738 21.298 1.00 0.00 H new ATOM 0 HD12 ILE A 152 29.312 -9.382 20.321 1.00 0.00 H new ATOM 0 HD13 ILE A 152 30.546 -9.092 21.569 1.00 0.00 H new ATOM 424 N VAL A 153 25.805 -6.187 22.148 1.00 0.00 N ATOM 425 CA VAL A 153 25.134 -4.931 21.835 1.00 0.00 C ATOM 426 C VAL A 153 23.773 -5.195 21.201 1.00 0.00 C ATOM 427 O VAL A 153 23.678 -5.833 20.151 1.00 0.00 O ATOM 428 CB VAL A 153 25.994 -4.105 20.879 1.00 0.00 C ATOM 429 CG1 VAL A 153 25.305 -2.767 20.599 1.00 0.00 C ATOM 430 CG2 VAL A 153 27.361 -3.848 21.516 1.00 0.00 C ATOM 0 H VAL A 153 25.665 -6.927 21.460 1.00 0.00 H new ATOM 0 HA VAL A 153 24.988 -4.377 22.762 1.00 0.00 H new ATOM 0 HB VAL A 153 26.124 -4.651 19.944 1.00 0.00 H new ATOM 0 HG11 VAL A 153 25.918 -2.178 19.917 1.00 0.00 H new ATOM 0 HG12 VAL A 153 24.330 -2.948 20.146 1.00 0.00 H new ATOM 0 HG13 VAL A 153 25.176 -2.222 21.534 1.00 0.00 H new ATOM 0 HG21 VAL A 153 27.975 -3.259 20.835 1.00 0.00 H new ATOM 0 HG22 VAL A 153 27.230 -3.302 22.450 1.00 0.00 H new ATOM 0 HG23 VAL A 153 27.853 -4.799 21.717 1.00 0.00 H new ATOM 440 N GLY A 154 22.720 -4.701 21.843 1.00 0.00 N ATOM 441 CA GLY A 154 21.367 -4.888 21.333 1.00 0.00 C ATOM 442 C GLY A 154 21.158 -4.102 20.042 1.00 0.00 C ATOM 443 O GLY A 154 21.322 -2.881 20.015 1.00 0.00 O ATOM 0 H GLY A 154 22.776 -4.171 22.713 1.00 0.00 H new ATOM 0 HA2 GLY A 154 21.186 -5.947 21.152 1.00 0.00 H new ATOM 0 HA3 GLY A 154 20.644 -4.564 22.082 1.00 0.00 H new TER 447 GLY A 154