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=-0.0073) USER MOD Single : A 130 ASN : amide:sc= -0.901 X(o=-0.9,f=-0.42) 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 -99:sc= 1 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 21.371 -24.696 1.633 1.00 0.00 N ATOM 2 CA LEU A 125 22.093 -23.817 0.718 1.00 0.00 C ATOM 3 C LEU A 125 21.116 -23.008 -0.129 1.00 0.00 C ATOM 4 O LEU A 125 20.962 -21.803 0.067 1.00 0.00 O ATOM 5 CB LEU A 125 22.998 -24.645 -0.196 1.00 0.00 C ATOM 6 CG LEU A 125 23.725 -25.706 0.631 1.00 0.00 C ATOM 7 CD1 LEU A 125 24.767 -26.410 -0.242 1.00 0.00 C ATOM 8 CD2 LEU A 125 24.425 -25.036 1.817 1.00 0.00 C ATOM 0 HA LEU A 125 22.701 -23.131 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 125 22.406 -25.121 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 125 23.721 -23.998 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 125 23.004 -26.437 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 125 25.285 -27.166 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 125 24.271 -26.886 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 125 25.488 -25.679 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 125 24.944 -25.791 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 125 25.145 -24.305 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 125 23.685 -24.534 2.440 1.00 0.00 H new ATOM 20 N PHE A 126 20.459 -23.678 -1.070 1.00 0.00 N ATOM 21 CA PHE A 126 19.499 -23.009 -1.940 1.00 0.00 C ATOM 22 C PHE A 126 18.264 -23.884 -2.144 1.00 0.00 C ATOM 23 O PHE A 126 18.296 -25.087 -1.885 1.00 0.00 O ATOM 24 CB PHE A 126 20.147 -22.712 -3.295 1.00 0.00 C ATOM 25 CG PHE A 126 21.529 -23.316 -3.335 1.00 0.00 C ATOM 26 CD1 PHE A 126 21.690 -24.683 -3.586 1.00 0.00 C ATOM 27 CD2 PHE A 126 22.652 -22.507 -3.119 1.00 0.00 C ATOM 28 CE1 PHE A 126 22.974 -25.243 -3.623 1.00 0.00 C ATOM 29 CE2 PHE A 126 23.936 -23.066 -3.156 1.00 0.00 C ATOM 30 CZ PHE A 126 24.096 -24.434 -3.407 1.00 0.00 C ATOM 0 H PHE A 126 20.572 -24.676 -1.249 1.00 0.00 H new ATOM 0 HA PHE A 126 19.194 -22.074 -1.469 1.00 0.00 H new ATOM 0 HB2 PHE A 126 19.536 -23.121 -4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 126 20.204 -21.635 -3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 126 20.824 -25.307 -3.751 1.00 0.00 H new ATOM 0 HD2 PHE A 126 22.528 -21.452 -2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 126 23.098 -26.298 -3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 126 24.802 -22.442 -2.991 1.00 0.00 H new ATOM 0 HZ PHE A 126 25.086 -24.866 -3.434 1.00 0.00 H new ATOM 40 N PRO A 127 17.183 -23.305 -2.599 1.00 0.00 N ATOM 41 CA PRO A 127 15.913 -24.050 -2.840 1.00 0.00 C ATOM 42 C PRO A 127 16.021 -25.000 -4.030 1.00 0.00 C ATOM 43 O PRO A 127 16.857 -24.811 -4.913 1.00 0.00 O ATOM 44 CB PRO A 127 14.887 -22.948 -3.113 1.00 0.00 C ATOM 45 CG PRO A 127 15.679 -21.779 -3.597 1.00 0.00 C ATOM 46 CD PRO A 127 17.051 -21.877 -2.933 1.00 0.00 C ATOM 0 HA PRO A 127 15.646 -24.684 -1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 127 14.159 -23.265 -3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 127 14.330 -22.698 -2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 127 15.772 -21.797 -4.683 1.00 0.00 H new ATOM 0 HG3 PRO A 127 15.187 -20.842 -3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 127 17.844 -21.549 -3.605 1.00 0.00 H new ATOM 0 HD3 PRO A 127 17.109 -21.252 -2.042 1.00 0.00 H new ATOM 54 N GLN A 128 15.170 -26.020 -4.046 1.00 0.00 N ATOM 55 CA GLN A 128 15.178 -26.992 -5.131 1.00 0.00 C ATOM 56 C GLN A 128 14.338 -26.494 -6.305 1.00 0.00 C ATOM 57 O GLN A 128 14.819 -26.410 -7.435 1.00 0.00 O ATOM 58 CB GLN A 128 14.626 -28.331 -4.639 1.00 0.00 C ATOM 59 CG GLN A 128 14.294 -29.220 -5.840 1.00 0.00 C ATOM 60 CD GLN A 128 14.320 -30.688 -5.425 1.00 0.00 C ATOM 61 OE1 GLN A 128 15.389 -31.239 -5.161 1.00 0.00 O ATOM 62 NE2 GLN A 128 13.201 -31.356 -5.353 1.00 0.00 N ATOM 0 H GLN A 128 14.470 -26.194 -3.324 1.00 0.00 H new ATOM 0 HA GLN A 128 16.207 -27.124 -5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 128 15.357 -28.825 -3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 128 13.733 -28.168 -4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 128 13.311 -28.962 -6.233 1.00 0.00 H new ATOM 0 HG3 GLN A 128 15.013 -29.047 -6.641 1.00 0.00 H new ATOM 0 HE21 GLN A 128 12.317 -30.896 -5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 128 13.210 -32.338 -5.077 1.00 0.00 H new ATOM 71 N ILE A 129 13.081 -26.164 -6.026 1.00 0.00 N ATOM 72 CA ILE A 129 12.182 -25.674 -7.065 1.00 0.00 C ATOM 73 C ILE A 129 12.499 -24.222 -7.402 1.00 0.00 C ATOM 74 O ILE A 129 12.289 -23.324 -6.586 1.00 0.00 O ATOM 75 CB ILE A 129 10.723 -25.787 -6.606 1.00 0.00 C ATOM 76 CG1 ILE A 129 10.642 -25.636 -5.078 1.00 0.00 C ATOM 77 CG2 ILE A 129 10.154 -27.144 -7.032 1.00 0.00 C ATOM 78 CD1 ILE A 129 10.767 -27.004 -4.398 1.00 0.00 C ATOM 0 H ILE A 129 12.664 -26.226 -5.097 1.00 0.00 H new ATOM 0 HA ILE A 129 12.325 -26.286 -7.956 1.00 0.00 H new ATOM 0 HB ILE A 129 10.137 -24.993 -7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 129 11.436 -24.976 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 129 9.696 -25.171 -4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 129 9.117 -27.223 -6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.200 -27.233 -8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.739 -27.943 -6.577 1.00 0.00 H new ATOM 0 HD11 ILE A 129 10.708 -26.880 -3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 129 9.958 -27.652 -4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 129 11.725 -27.454 -4.659 1.00 0.00 H new ATOM 90 N ASN A 130 13.008 -23.999 -8.609 1.00 0.00 N ATOM 91 CA ASN A 130 13.352 -22.650 -9.046 1.00 0.00 C ATOM 92 C ASN A 130 12.095 -21.806 -9.231 1.00 0.00 C ATOM 93 O ASN A 130 12.113 -20.593 -9.019 1.00 0.00 O ATOM 94 CB ASN A 130 14.126 -22.710 -10.363 1.00 0.00 C ATOM 95 CG ASN A 130 13.173 -22.523 -11.538 1.00 0.00 C ATOM 96 OD1 ASN A 130 13.185 -21.480 -12.191 1.00 0.00 O ATOM 97 ND2 ASN A 130 12.339 -23.480 -11.848 1.00 0.00 N ATOM 0 H ASN A 130 13.191 -24.729 -9.298 1.00 0.00 H new ATOM 0 HA ASN A 130 13.974 -22.189 -8.279 1.00 0.00 H new ATOM 0 HB2 ASN A 130 14.893 -21.935 -10.379 1.00 0.00 H new ATOM 0 HB3 ASN A 130 14.639 -23.668 -10.449 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.697 -23.363 -12.632 1.00 0.00 H new ATOM 0 HD22 ASN A 130 12.330 -24.344 -11.306 1.00 0.00 H new ATOM 104 N PHE A 131 11.005 -22.454 -9.628 1.00 0.00 N ATOM 105 CA PHE A 131 9.745 -21.751 -9.841 1.00 0.00 C ATOM 106 C PHE A 131 9.272 -21.096 -8.545 1.00 0.00 C ATOM 107 O PHE A 131 9.237 -19.870 -8.435 1.00 0.00 O ATOM 108 CB PHE A 131 8.678 -22.727 -10.340 1.00 0.00 C ATOM 109 CG PHE A 131 7.678 -21.984 -11.194 1.00 0.00 C ATOM 110 CD1 PHE A 131 6.551 -21.399 -10.606 1.00 0.00 C ATOM 111 CD2 PHE A 131 7.878 -21.881 -12.576 1.00 0.00 C ATOM 112 CE1 PHE A 131 5.625 -20.710 -11.398 1.00 0.00 C ATOM 113 CE2 PHE A 131 6.952 -21.193 -13.369 1.00 0.00 C ATOM 114 CZ PHE A 131 5.826 -20.607 -12.780 1.00 0.00 C ATOM 0 H PHE A 131 10.968 -23.457 -9.808 1.00 0.00 H new ATOM 0 HA PHE A 131 9.906 -20.976 -10.590 1.00 0.00 H new ATOM 0 HB2 PHE A 131 9.142 -23.527 -10.917 1.00 0.00 H new ATOM 0 HB3 PHE A 131 8.174 -23.195 -9.495 1.00 0.00 H new ATOM 0 HD1 PHE A 131 6.395 -21.479 -9.540 1.00 0.00 H new ATOM 0 HD2 PHE A 131 8.747 -22.333 -13.031 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.756 -20.258 -10.943 1.00 0.00 H new ATOM 0 HE2 PHE A 131 7.107 -21.115 -14.435 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.112 -20.075 -13.391 1.00 0.00 H new ATOM 124 N LEU A 132 8.909 -21.921 -7.568 1.00 0.00 N ATOM 125 CA LEU A 132 8.439 -21.409 -6.287 1.00 0.00 C ATOM 126 C LEU A 132 9.537 -20.603 -5.598 1.00 0.00 C ATOM 127 O LEU A 132 9.259 -19.748 -4.757 1.00 0.00 O ATOM 128 CB LEU A 132 8.015 -22.570 -5.386 1.00 0.00 C ATOM 129 CG LEU A 132 6.488 -22.633 -5.318 1.00 0.00 C ATOM 130 CD1 LEU A 132 5.922 -22.804 -6.728 1.00 0.00 C ATOM 131 CD2 LEU A 132 6.066 -23.822 -4.452 1.00 0.00 C ATOM 0 H LEU A 132 8.931 -22.938 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 132 7.584 -20.758 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 132 8.411 -23.508 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 132 8.429 -22.438 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 132 6.105 -21.711 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.834 -22.849 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 132 6.223 -21.958 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 132 6.305 -23.727 -7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.978 -23.868 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.449 -24.744 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 132 6.470 -23.702 -3.447 1.00 0.00 H new ATOM 143 N GLY A 133 10.783 -20.881 -5.962 1.00 0.00 N ATOM 144 CA GLY A 133 11.917 -20.175 -5.373 1.00 0.00 C ATOM 145 C GLY A 133 11.626 -18.684 -5.242 1.00 0.00 C ATOM 146 O GLY A 133 12.274 -17.981 -4.467 1.00 0.00 O ATOM 0 H GLY A 133 11.034 -21.584 -6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 133 12.140 -20.593 -4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 133 12.803 -20.323 -5.991 1.00 0.00 H new ATOM 150 N SER A 134 10.651 -18.205 -6.007 1.00 0.00 N ATOM 151 CA SER A 134 10.286 -16.793 -5.971 1.00 0.00 C ATOM 152 C SER A 134 9.688 -16.424 -4.616 1.00 0.00 C ATOM 153 O SER A 134 10.306 -15.707 -3.831 1.00 0.00 O ATOM 154 CB SER A 134 9.276 -16.486 -7.076 1.00 0.00 C ATOM 155 OG SER A 134 8.551 -15.311 -6.737 1.00 0.00 O ATOM 0 H SER A 134 10.102 -18.769 -6.656 1.00 0.00 H new ATOM 0 HA SER A 134 11.188 -16.202 -6.128 1.00 0.00 H new ATOM 0 HB2 SER A 134 9.791 -16.348 -8.027 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.592 -17.325 -7.203 1.00 0.00 H new ATOM 0 HG SER A 134 7.903 -15.111 -7.445 1.00 0.00 H new ATOM 161 N LEU A 135 8.482 -16.916 -4.351 1.00 0.00 N ATOM 162 CA LEU A 135 7.814 -16.628 -3.087 1.00 0.00 C ATOM 163 C LEU A 135 8.560 -17.273 -1.924 1.00 0.00 C ATOM 164 O LEU A 135 8.469 -16.816 -0.785 1.00 0.00 O ATOM 165 CB LEU A 135 6.370 -17.140 -3.119 1.00 0.00 C ATOM 166 CG LEU A 135 6.266 -18.350 -4.051 1.00 0.00 C ATOM 167 CD1 LEU A 135 5.113 -19.245 -3.595 1.00 0.00 C ATOM 168 CD2 LEU A 135 6.003 -17.876 -5.484 1.00 0.00 C ATOM 0 H LEU A 135 7.951 -17.510 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 135 7.808 -15.547 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.051 -17.416 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.702 -16.349 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 135 7.200 -18.910 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.038 -20.107 -4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.298 -19.586 -2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.181 -18.681 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.929 -18.739 -6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.070 -17.314 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.823 -17.237 -5.812 1.00 0.00 H new ATOM 180 N LEU A 136 9.297 -18.340 -2.218 1.00 0.00 N ATOM 181 CA LEU A 136 10.055 -19.040 -1.187 1.00 0.00 C ATOM 182 C LEU A 136 11.140 -18.135 -0.614 1.00 0.00 C ATOM 183 O LEU A 136 11.642 -18.369 0.486 1.00 0.00 O ATOM 184 CB LEU A 136 10.696 -20.299 -1.772 1.00 0.00 C ATOM 185 CG LEU A 136 10.301 -21.513 -0.930 1.00 0.00 C ATOM 186 CD1 LEU A 136 8.802 -21.780 -1.088 1.00 0.00 C ATOM 187 CD2 LEU A 136 11.088 -22.737 -1.402 1.00 0.00 C ATOM 0 H LEU A 136 9.385 -18.736 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 136 9.370 -19.320 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 136 10.373 -20.438 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.781 -20.193 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 136 10.526 -21.316 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 136 8.521 -22.645 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 136 8.240 -20.908 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 136 8.576 -21.977 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 136 10.808 -23.603 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 136 10.862 -22.933 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 136 12.156 -22.549 -1.290 1.00 0.00 H new ATOM 199 N ILE A 137 11.499 -17.098 -1.366 1.00 0.00 N ATOM 200 CA ILE A 137 12.526 -16.163 -0.922 1.00 0.00 C ATOM 201 C ILE A 137 12.037 -15.357 0.278 1.00 0.00 C ATOM 202 O ILE A 137 12.835 -14.800 1.029 1.00 0.00 O ATOM 203 CB ILE A 137 12.894 -15.213 -2.061 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.309 -14.670 -1.836 1.00 0.00 C ATOM 205 CG2 ILE A 137 11.903 -14.049 -2.097 1.00 0.00 C ATOM 206 CD1 ILE A 137 15.322 -15.583 -2.527 1.00 0.00 C ATOM 0 H ILE A 137 11.097 -16.886 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 137 13.406 -16.734 -0.626 1.00 0.00 H new ATOM 0 HB ILE A 137 12.856 -15.751 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 137 14.388 -13.657 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.523 -14.614 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 137 12.166 -13.372 -2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 137 10.896 -14.434 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 137 11.940 -13.511 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 137 16.329 -15.197 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.249 -16.588 -2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.112 -15.616 -3.596 1.00 0.00 H new ATOM 218 N ALA A 138 10.720 -15.300 0.448 1.00 0.00 N ATOM 219 CA ALA A 138 10.135 -14.559 1.560 1.00 0.00 C ATOM 220 C ALA A 138 10.696 -15.055 2.888 1.00 0.00 C ATOM 221 O ALA A 138 10.631 -14.355 3.900 1.00 0.00 O ATOM 222 CB ALA A 138 8.614 -14.721 1.554 1.00 0.00 C ATOM 0 H ALA A 138 10.042 -15.754 -0.164 1.00 0.00 H new ATOM 0 HA ALA A 138 10.388 -13.505 1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 138 8.186 -14.165 2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 138 8.211 -14.338 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 138 8.360 -15.776 1.654 1.00 0.00 H new ATOM 228 N GLY A 139 11.247 -16.264 2.878 1.00 0.00 N ATOM 229 CA GLY A 139 11.815 -16.844 4.090 1.00 0.00 C ATOM 230 C GLY A 139 13.218 -16.301 4.348 1.00 0.00 C ATOM 231 O GLY A 139 13.696 -16.302 5.482 1.00 0.00 O ATOM 0 H GLY A 139 11.312 -16.858 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 139 11.172 -16.620 4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 139 11.852 -17.929 3.996 1.00 0.00 H new ATOM 235 N CYS A 140 13.870 -15.838 3.287 1.00 0.00 N ATOM 236 CA CYS A 140 15.218 -15.294 3.411 1.00 0.00 C ATOM 237 C CYS A 140 15.207 -14.017 4.244 1.00 0.00 C ATOM 238 O CYS A 140 16.237 -13.601 4.775 1.00 0.00 O ATOM 239 CB CYS A 140 15.791 -14.996 2.023 1.00 0.00 C ATOM 240 SG CYS A 140 15.886 -16.530 1.067 1.00 0.00 S ATOM 0 H CYS A 140 13.492 -15.828 2.340 1.00 0.00 H new ATOM 0 HA CYS A 140 15.843 -16.034 3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 140 15.162 -14.271 1.506 1.00 0.00 H new ATOM 0 HB3 CYS A 140 16.781 -14.550 2.115 1.00 0.00 H new ATOM 0 HG CYS A 140 16.370 -16.277 -0.113 1.00 0.00 H new ATOM 246 N ILE A 141 14.037 -13.398 4.355 1.00 0.00 N ATOM 247 CA ILE A 141 13.903 -12.167 5.127 1.00 0.00 C ATOM 248 C ILE A 141 14.196 -12.426 6.601 1.00 0.00 C ATOM 249 O ILE A 141 14.560 -11.512 7.341 1.00 0.00 O ATOM 250 CB ILE A 141 12.488 -11.608 4.976 1.00 0.00 C ATOM 251 CG1 ILE A 141 12.224 -11.279 3.505 1.00 0.00 C ATOM 252 CG2 ILE A 141 12.351 -10.336 5.814 1.00 0.00 C ATOM 253 CD1 ILE A 141 10.726 -11.051 3.293 1.00 0.00 C ATOM 0 H ILE A 141 13.173 -13.725 3.924 1.00 0.00 H new ATOM 0 HA ILE A 141 14.622 -11.441 4.747 1.00 0.00 H new ATOM 0 HB ILE A 141 11.766 -12.349 5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 141 12.783 -10.389 3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 141 12.572 -12.095 2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 141 11.342 -9.937 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 141 12.540 -10.569 6.862 1.00 0.00 H new ATOM 0 HG23 ILE A 141 13.073 -9.595 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 141 10.538 -10.817 2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 141 10.178 -11.953 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 141 10.393 -10.221 3.916 1.00 0.00 H new ATOM 265 N THR A 142 14.035 -13.676 7.021 1.00 0.00 N ATOM 266 CA THR A 142 14.287 -14.044 8.410 1.00 0.00 C ATOM 267 C THR A 142 15.740 -13.770 8.783 1.00 0.00 C ATOM 268 O THR A 142 16.071 -13.626 9.959 1.00 0.00 O ATOM 269 CB THR A 142 13.972 -15.526 8.624 1.00 0.00 C ATOM 270 OG1 THR A 142 14.693 -16.301 7.676 1.00 0.00 O ATOM 271 CG2 THR A 142 12.473 -15.764 8.447 1.00 0.00 C ATOM 0 H THR A 142 13.733 -14.447 6.425 1.00 0.00 H new ATOM 0 HA THR A 142 13.641 -13.441 9.048 1.00 0.00 H new ATOM 0 HB THR A 142 14.265 -15.818 9.633 1.00 0.00 H new ATOM 0 HG1 THR A 142 14.101 -16.543 6.933 1.00 0.00 H new ATOM 0 HG21 THR A 142 12.252 -16.820 8.600 1.00 0.00 H new ATOM 0 HG22 THR A 142 11.922 -15.169 9.175 1.00 0.00 H new ATOM 0 HG23 THR A 142 12.175 -15.473 7.440 1.00 0.00 H new ATOM 279 N SER A 143 16.600 -13.699 7.774 1.00 0.00 N ATOM 280 CA SER A 143 18.017 -13.440 8.007 1.00 0.00 C ATOM 281 C SER A 143 18.721 -14.708 8.478 1.00 0.00 C ATOM 282 O SER A 143 18.254 -15.387 9.394 1.00 0.00 O ATOM 283 CB SER A 143 18.182 -12.343 9.060 1.00 0.00 C ATOM 284 OG SER A 143 19.339 -11.575 8.759 1.00 0.00 O ATOM 0 H SER A 143 16.345 -13.816 6.793 1.00 0.00 H new ATOM 0 HA SER A 143 18.467 -13.113 7.069 1.00 0.00 H new ATOM 0 HB2 SER A 143 17.300 -11.703 9.076 1.00 0.00 H new ATOM 0 HB3 SER A 143 18.273 -12.786 10.052 1.00 0.00 H new ATOM 0 HG SER A 143 19.447 -10.870 9.431 1.00 0.00 H new ATOM 290 N THR A 144 19.847 -15.024 7.847 1.00 0.00 N ATOM 291 CA THR A 144 20.609 -16.213 8.209 1.00 0.00 C ATOM 292 C THR A 144 22.105 -15.959 8.057 1.00 0.00 C ATOM 293 O THR A 144 22.526 -15.159 7.222 1.00 0.00 O ATOM 294 CB THR A 144 20.195 -17.389 7.322 1.00 0.00 C ATOM 295 OG1 THR A 144 19.633 -16.894 6.115 1.00 0.00 O ATOM 296 CG2 THR A 144 19.161 -18.245 8.056 1.00 0.00 C ATOM 0 H THR A 144 20.250 -14.477 7.087 1.00 0.00 H new ATOM 0 HA THR A 144 20.398 -16.453 9.251 1.00 0.00 H new ATOM 0 HB THR A 144 21.070 -17.998 7.093 1.00 0.00 H new ATOM 0 HG1 THR A 144 19.369 -17.646 5.545 1.00 0.00 H new ATOM 0 HG21 THR A 144 18.867 -19.082 7.423 1.00 0.00 H new ATOM 0 HG22 THR A 144 19.594 -18.624 8.982 1.00 0.00 H new ATOM 0 HG23 THR A 144 18.285 -17.639 8.287 1.00 0.00 H new ATOM 304 N ASP A 145 22.903 -16.646 8.868 1.00 0.00 N ATOM 305 CA ASP A 145 24.352 -16.488 8.815 1.00 0.00 C ATOM 306 C ASP A 145 24.726 -15.019 8.644 1.00 0.00 C ATOM 307 O ASP A 145 25.254 -14.618 7.606 1.00 0.00 O ATOM 308 CB ASP A 145 24.924 -17.302 7.653 1.00 0.00 C ATOM 309 CG ASP A 145 24.410 -16.751 6.327 1.00 0.00 C ATOM 310 OD1 ASP A 145 23.284 -17.062 5.977 1.00 0.00 O ATOM 311 OD2 ASP A 145 25.150 -16.026 5.682 1.00 0.00 O1- ATOM 0 H ASP A 145 22.574 -17.313 9.566 1.00 0.00 H new ATOM 0 HA ASP A 145 24.772 -16.850 9.753 1.00 0.00 H new ATOM 0 HB2 ASP A 145 26.013 -17.265 7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 145 24.639 -18.349 7.756 1.00 0.00 H new ATOM 316 N PRO A 146 24.460 -14.220 9.641 1.00 0.00 N ATOM 317 CA PRO A 146 24.771 -12.762 9.611 1.00 0.00 C ATOM 318 C PRO A 146 26.193 -12.487 9.133 1.00 0.00 C ATOM 319 O PRO A 146 26.970 -13.413 8.896 1.00 0.00 O ATOM 320 CB PRO A 146 24.590 -12.323 11.066 1.00 0.00 C ATOM 321 CG PRO A 146 23.640 -13.309 11.664 1.00 0.00 C ATOM 322 CD PRO A 146 23.834 -14.625 10.908 1.00 0.00 C ATOM 0 HA PRO A 146 24.130 -12.221 8.915 1.00 0.00 H new ATOM 0 HB2 PRO A 146 25.542 -12.323 11.597 1.00 0.00 H new ATOM 0 HB3 PRO A 146 24.192 -11.310 11.124 1.00 0.00 H new ATOM 0 HG2 PRO A 146 23.839 -13.441 12.728 1.00 0.00 H new ATOM 0 HG3 PRO A 146 22.612 -12.959 11.573 1.00 0.00 H new ATOM 0 HD2 PRO A 146 24.469 -15.315 11.464 1.00 0.00 H new ATOM 0 HD3 PRO A 146 22.884 -15.132 10.739 1.00 0.00 H new ATOM 330 N VAL A 147 26.528 -11.209 8.993 1.00 0.00 N ATOM 331 CA VAL A 147 27.860 -10.823 8.542 1.00 0.00 C ATOM 332 C VAL A 147 28.723 -10.392 9.723 1.00 0.00 C ATOM 333 O VAL A 147 29.938 -10.590 9.723 1.00 0.00 O ATOM 334 CB VAL A 147 27.759 -9.674 7.536 1.00 0.00 C ATOM 335 CG1 VAL A 147 29.155 -9.120 7.251 1.00 0.00 C ATOM 336 CG2 VAL A 147 27.142 -10.190 6.235 1.00 0.00 C ATOM 0 H VAL A 147 25.901 -10.428 9.184 1.00 0.00 H new ATOM 0 HA VAL A 147 28.324 -11.686 8.064 1.00 0.00 H new ATOM 0 HB VAL A 147 27.132 -8.884 7.949 1.00 0.00 H new ATOM 0 HG11 VAL A 147 29.082 -8.302 6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 147 29.597 -8.753 8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 147 29.782 -9.910 6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 147 27.069 -9.373 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 147 27.770 -10.980 5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 147 26.146 -10.586 6.436 1.00 0.00 H new ATOM 346 N LEU A 148 28.086 -9.802 10.731 1.00 0.00 N ATOM 347 CA LEU A 148 28.807 -9.347 11.914 1.00 0.00 C ATOM 348 C LEU A 148 29.316 -10.538 12.722 1.00 0.00 C ATOM 349 O LEU A 148 30.523 -10.727 12.872 1.00 0.00 O ATOM 350 CB LEU A 148 27.887 -8.491 12.788 1.00 0.00 C ATOM 351 CG LEU A 148 28.397 -7.051 12.809 1.00 0.00 C ATOM 352 CD1 LEU A 148 27.388 -6.161 13.536 1.00 0.00 C ATOM 353 CD2 LEU A 148 29.741 -6.997 13.541 1.00 0.00 C ATOM 0 H LEU A 148 27.081 -9.629 10.752 1.00 0.00 H new ATOM 0 HA LEU A 148 29.660 -8.750 11.591 1.00 0.00 H new ATOM 0 HB2 LEU A 148 26.869 -8.521 12.401 1.00 0.00 H new ATOM 0 HB3 LEU A 148 27.855 -8.891 13.801 1.00 0.00 H new ATOM 0 HG LEU A 148 28.523 -6.697 11.786 1.00 0.00 H new ATOM 0 HD11 LEU A 148 27.753 -5.134 13.550 1.00 0.00 H new ATOM 0 HD12 LEU A 148 26.430 -6.199 13.018 1.00 0.00 H new ATOM 0 HD13 LEU A 148 27.261 -6.515 14.559 1.00 0.00 H new ATOM 0 HD21 LEU A 148 30.106 -5.970 13.557 1.00 0.00 H new ATOM 0 HD22 LEU A 148 29.613 -7.352 14.564 1.00 0.00 H new ATOM 0 HD23 LEU A 148 30.462 -7.630 13.025 1.00 0.00 H new ATOM 365 N SER A 149 28.387 -11.336 13.238 1.00 0.00 N ATOM 366 CA SER A 149 28.753 -12.506 14.029 1.00 0.00 C ATOM 367 C SER A 149 29.682 -13.421 13.236 1.00 0.00 C ATOM 368 O SER A 149 30.453 -14.188 13.811 1.00 0.00 O ATOM 369 CB SER A 149 27.498 -13.277 14.433 1.00 0.00 C ATOM 370 OG SER A 149 27.108 -12.888 15.743 1.00 0.00 O ATOM 0 H SER A 149 27.383 -11.196 13.124 1.00 0.00 H new ATOM 0 HA SER A 149 29.274 -12.166 14.924 1.00 0.00 H new ATOM 0 HB2 SER A 149 26.692 -13.077 13.727 1.00 0.00 H new ATOM 0 HB3 SER A 149 27.691 -14.349 14.402 1.00 0.00 H new ATOM 0 HG SER A 149 26.302 -13.380 16.004 1.00 0.00 H new ATOM 376 N ALA A 150 29.602 -13.331 11.912 1.00 0.00 N ATOM 377 CA ALA A 150 30.439 -14.156 11.050 1.00 0.00 C ATOM 378 C ALA A 150 31.908 -13.774 11.206 1.00 0.00 C ATOM 379 O ALA A 150 32.799 -14.590 10.972 1.00 0.00 O ATOM 380 CB ALA A 150 30.017 -13.981 9.590 1.00 0.00 C ATOM 0 H ALA A 150 28.972 -12.701 11.417 1.00 0.00 H new ATOM 0 HA ALA A 150 30.313 -15.199 11.342 1.00 0.00 H new ATOM 0 HB1 ALA A 150 30.647 -14.601 8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 150 28.976 -14.282 9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 150 30.127 -12.935 9.302 1.00 0.00 H new ATOM 386 N LEU A 151 32.152 -12.530 11.602 1.00 0.00 N ATOM 387 CA LEU A 151 33.517 -12.051 11.786 1.00 0.00 C ATOM 388 C LEU A 151 34.160 -12.717 12.998 1.00 0.00 C ATOM 389 O LEU A 151 35.361 -12.984 13.008 1.00 0.00 O ATOM 390 CB LEU A 151 33.518 -10.533 11.975 1.00 0.00 C ATOM 391 CG LEU A 151 34.875 -9.966 11.557 1.00 0.00 C ATOM 392 CD1 LEU A 151 34.834 -9.580 10.078 1.00 0.00 C ATOM 393 CD2 LEU A 151 35.189 -8.726 12.398 1.00 0.00 C ATOM 0 H LEU A 151 31.428 -11.839 11.801 1.00 0.00 H new ATOM 0 HA LEU A 151 34.094 -12.306 10.897 1.00 0.00 H new ATOM 0 HB2 LEU A 151 32.725 -10.082 11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 151 33.314 -10.286 13.017 1.00 0.00 H new ATOM 0 HG LEU A 151 35.647 -10.719 11.714 1.00 0.00 H new ATOM 0 HD11 LEU A 151 35.802 -9.176 9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 151 34.609 -10.462 9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 151 34.062 -8.827 9.920 1.00 0.00 H new ATOM 0 HD21 LEU A 151 36.156 -8.320 12.101 1.00 0.00 H new ATOM 0 HD22 LEU A 151 34.416 -7.974 12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 151 35.218 -9.000 13.453 1.00 0.00 H new ATOM 405 N ILE A 152 33.351 -12.982 14.020 1.00 0.00 N ATOM 406 CA ILE A 152 33.852 -13.617 15.233 1.00 0.00 C ATOM 407 C ILE A 152 34.187 -15.082 14.972 1.00 0.00 C ATOM 408 O ILE A 152 34.968 -15.689 15.701 1.00 0.00 O ATOM 409 CB ILE A 152 32.804 -13.522 16.344 1.00 0.00 C ATOM 410 CG1 ILE A 152 32.196 -12.115 16.355 1.00 0.00 C ATOM 411 CG2 ILE A 152 33.464 -13.803 17.694 1.00 0.00 C ATOM 412 CD1 ILE A 152 33.313 -11.070 16.337 1.00 0.00 C ATOM 0 H ILE A 152 32.354 -12.769 14.032 1.00 0.00 H new ATOM 0 HA ILE A 152 34.759 -13.098 15.544 1.00 0.00 H new ATOM 0 HB ILE A 152 32.018 -14.256 16.165 1.00 0.00 H new ATOM 0 HG12 ILE A 152 31.547 -11.982 15.490 1.00 0.00 H new ATOM 0 HG13 ILE A 152 31.576 -11.983 17.242 1.00 0.00 H new ATOM 0 HG21 ILE A 152 32.717 -13.735 18.485 1.00 0.00 H new ATOM 0 HG22 ILE A 152 33.895 -14.804 17.687 1.00 0.00 H new ATOM 0 HG23 ILE A 152 34.251 -13.070 17.874 1.00 0.00 H new ATOM 0 HD11 ILE A 152 32.877 -10.071 16.345 1.00 0.00 H new ATOM 0 HD12 ILE A 152 33.944 -11.197 17.216 1.00 0.00 H new ATOM 0 HD13 ILE A 152 33.915 -11.196 15.437 1.00 0.00 H new ATOM 424 N VAL A 153 33.589 -15.641 13.924 1.00 0.00 N ATOM 425 CA VAL A 153 33.831 -17.037 13.576 1.00 0.00 C ATOM 426 C VAL A 153 33.579 -17.942 14.778 1.00 0.00 C ATOM 427 O VAL A 153 32.455 -18.394 15.002 1.00 0.00 O ATOM 428 CB VAL A 153 35.273 -17.213 13.097 1.00 0.00 C ATOM 429 CG1 VAL A 153 35.565 -18.699 12.890 1.00 0.00 C ATOM 430 CG2 VAL A 153 35.464 -16.467 11.774 1.00 0.00 C ATOM 0 H VAL A 153 32.939 -15.154 13.306 1.00 0.00 H new ATOM 0 HA VAL A 153 33.145 -17.316 12.776 1.00 0.00 H new ATOM 0 HB VAL A 153 35.956 -16.810 13.845 1.00 0.00 H new ATOM 0 HG11 VAL A 153 36.593 -18.824 12.549 1.00 0.00 H new ATOM 0 HG12 VAL A 153 35.428 -19.231 13.831 1.00 0.00 H new ATOM 0 HG13 VAL A 153 34.883 -19.103 12.142 1.00 0.00 H new ATOM 0 HG21 VAL A 153 36.491 -16.591 11.431 1.00 0.00 H new ATOM 0 HG22 VAL A 153 34.781 -16.871 11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 153 35.256 -15.407 11.921 1.00 0.00 H new ATOM 440 N GLY A 154 34.630 -18.202 15.548 1.00 0.00 N ATOM 441 CA GLY A 154 34.512 -19.054 16.725 1.00 0.00 C ATOM 442 C GLY A 154 34.885 -20.494 16.395 1.00 0.00 C ATOM 443 O GLY A 154 36.050 -20.801 16.140 1.00 0.00 O ATOM 0 H GLY A 154 35.568 -17.837 15.380 1.00 0.00 H new ATOM 0 HA2 GLY A 154 35.160 -18.679 17.517 1.00 0.00 H new ATOM 0 HA3 GLY A 154 33.491 -19.017 17.105 1.00 0.00 H new TER 447 GLY A 154