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= -2.76! C(o=-2.8!,f=-3.4!) USER MOD Single : A 130 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.2!) 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 90:sc= 0.0405 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0.0933 USER MOD Single : A 149 SER OG : rot 180:sc= 0.067 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 16.871 -27.571 -0.765 1.00 0.00 N ATOM 2 CA LEU A 125 18.210 -27.766 -1.311 1.00 0.00 C ATOM 3 C LEU A 125 18.395 -26.945 -2.583 1.00 0.00 C ATOM 4 O LEU A 125 19.138 -25.963 -2.597 1.00 0.00 O ATOM 5 CB LEU A 125 18.439 -29.247 -1.619 1.00 0.00 C ATOM 6 CG LEU A 125 17.837 -30.100 -0.501 1.00 0.00 C ATOM 7 CD1 LEU A 125 18.182 -31.571 -0.740 1.00 0.00 C ATOM 8 CD2 LEU A 125 18.412 -29.654 0.845 1.00 0.00 C ATOM 0 HA LEU A 125 18.936 -27.434 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 125 17.982 -29.506 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 125 19.506 -29.449 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 125 16.754 -29.978 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 125 17.753 -32.179 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 125 17.774 -31.889 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 125 19.265 -31.694 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 125 17.984 -30.261 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 125 19.495 -29.777 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 125 18.167 -28.606 1.016 1.00 0.00 H new ATOM 20 N PHE A 126 17.715 -27.354 -3.648 1.00 0.00 N ATOM 21 CA PHE A 126 17.812 -26.647 -4.920 1.00 0.00 C ATOM 22 C PHE A 126 16.537 -26.835 -5.737 1.00 0.00 C ATOM 23 O PHE A 126 16.547 -27.479 -6.787 1.00 0.00 O ATOM 24 CB PHE A 126 19.012 -27.168 -5.717 1.00 0.00 C ATOM 25 CG PHE A 126 19.163 -28.652 -5.487 1.00 0.00 C ATOM 26 CD1 PHE A 126 19.850 -29.120 -4.359 1.00 0.00 C ATOM 27 CD2 PHE A 126 18.616 -29.562 -6.400 1.00 0.00 C ATOM 28 CE1 PHE A 126 19.990 -30.496 -4.147 1.00 0.00 C ATOM 29 CE2 PHE A 126 18.757 -30.938 -6.187 1.00 0.00 C ATOM 30 CZ PHE A 126 19.445 -31.405 -5.060 1.00 0.00 C ATOM 0 H PHE A 126 17.096 -28.164 -3.657 1.00 0.00 H new ATOM 0 HA PHE A 126 17.945 -25.585 -4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 126 18.872 -26.966 -6.779 1.00 0.00 H new ATOM 0 HB3 PHE A 126 19.919 -26.648 -5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 126 20.271 -28.419 -3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 126 18.085 -29.202 -7.269 1.00 0.00 H new ATOM 0 HE1 PHE A 126 20.519 -30.857 -3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 126 18.335 -31.640 -6.892 1.00 0.00 H new ATOM 0 HZ PHE A 126 19.555 -32.467 -4.896 1.00 0.00 H new ATOM 40 N PRO A 127 15.449 -26.286 -5.271 1.00 0.00 N ATOM 41 CA PRO A 127 14.132 -26.388 -5.963 1.00 0.00 C ATOM 42 C PRO A 127 14.240 -26.069 -7.452 1.00 0.00 C ATOM 43 O PRO A 127 14.864 -25.082 -7.841 1.00 0.00 O ATOM 44 CB PRO A 127 13.263 -25.354 -5.244 1.00 0.00 C ATOM 45 CG PRO A 127 13.866 -25.203 -3.886 1.00 0.00 C ATOM 46 CD PRO A 127 15.359 -25.505 -4.028 1.00 0.00 C ATOM 0 HA PRO A 127 13.723 -27.397 -5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 127 13.258 -24.405 -5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 127 12.228 -25.688 -5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 127 13.711 -24.194 -3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 127 13.399 -25.887 -3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 127 15.947 -24.589 -4.089 1.00 0.00 H new ATOM 0 HD3 PRO A 127 15.735 -26.069 -3.174 1.00 0.00 H new ATOM 54 N GLN A 128 13.626 -26.909 -8.278 1.00 0.00 N ATOM 55 CA GLN A 128 13.660 -26.706 -9.722 1.00 0.00 C ATOM 56 C GLN A 128 12.652 -25.639 -10.135 1.00 0.00 C ATOM 57 O GLN A 128 12.993 -24.687 -10.839 1.00 0.00 O ATOM 58 CB GLN A 128 13.342 -28.021 -10.441 1.00 0.00 C ATOM 59 CG GLN A 128 12.977 -27.740 -11.902 1.00 0.00 C ATOM 60 CD GLN A 128 13.923 -26.698 -12.487 1.00 0.00 C ATOM 61 OE1 GLN A 128 13.477 -25.720 -13.087 1.00 0.00 O ATOM 62 NE2 GLN A 128 15.212 -26.849 -12.349 1.00 0.00 N ATOM 0 H GLN A 128 13.103 -27.731 -7.976 1.00 0.00 H new ATOM 0 HA GLN A 128 14.659 -26.372 -10.002 1.00 0.00 H new ATOM 0 HB2 GLN A 128 14.202 -28.689 -10.394 1.00 0.00 H new ATOM 0 HB3 GLN A 128 12.517 -28.528 -9.942 1.00 0.00 H new ATOM 0 HG2 GLN A 128 13.034 -28.661 -12.483 1.00 0.00 H new ATOM 0 HG3 GLN A 128 11.948 -27.385 -11.966 1.00 0.00 H new ATOM 0 HE21 GLN A 128 15.580 -27.660 -11.852 1.00 0.00 H new ATOM 0 HE22 GLN A 128 15.851 -26.156 -12.739 1.00 0.00 H new ATOM 71 N ILE A 129 11.411 -25.800 -9.691 1.00 0.00 N ATOM 72 CA ILE A 129 10.360 -24.843 -10.021 1.00 0.00 C ATOM 73 C ILE A 129 10.808 -23.423 -9.693 1.00 0.00 C ATOM 74 O ILE A 129 10.796 -23.009 -8.534 1.00 0.00 O ATOM 75 CB ILE A 129 9.089 -25.172 -9.237 1.00 0.00 C ATOM 76 CG1 ILE A 129 7.987 -24.181 -9.616 1.00 0.00 C ATOM 77 CG2 ILE A 129 9.372 -25.069 -7.737 1.00 0.00 C ATOM 78 CD1 ILE A 129 6.661 -24.631 -9.002 1.00 0.00 C ATOM 0 H ILE A 129 11.108 -26.578 -9.105 1.00 0.00 H new ATOM 0 HA ILE A 129 10.155 -24.911 -11.089 1.00 0.00 H new ATOM 0 HB ILE A 129 8.767 -26.185 -9.477 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.244 -23.183 -9.261 1.00 0.00 H new ATOM 0 HG13 ILE A 129 7.895 -24.120 -10.700 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.466 -25.304 -7.179 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.158 -25.774 -7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.694 -24.056 -7.496 1.00 0.00 H new ATOM 0 HD11 ILE A 129 5.876 -23.924 -9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 129 6.403 -25.621 -9.378 1.00 0.00 H new ATOM 0 HD13 ILE A 129 6.757 -24.669 -7.917 1.00 0.00 H new ATOM 90 N ASN A 130 11.202 -22.680 -10.723 1.00 0.00 N ATOM 91 CA ASN A 130 11.651 -21.306 -10.533 1.00 0.00 C ATOM 92 C ASN A 130 10.489 -20.415 -10.112 1.00 0.00 C ATOM 93 O ASN A 130 10.690 -19.335 -9.555 1.00 0.00 O ATOM 94 CB ASN A 130 12.262 -20.772 -11.830 1.00 0.00 C ATOM 95 CG ASN A 130 12.069 -19.262 -11.916 1.00 0.00 C ATOM 96 OD1 ASN A 130 12.475 -18.532 -11.011 1.00 0.00 O ATOM 97 ND2 ASN A 130 11.469 -18.747 -12.954 1.00 0.00 N ATOM 0 H ASN A 130 11.219 -23.003 -11.690 1.00 0.00 H new ATOM 0 HA ASN A 130 12.404 -21.296 -9.745 1.00 0.00 H new ATOM 0 HB2 ASN A 130 13.324 -21.014 -11.867 1.00 0.00 H new ATOM 0 HB3 ASN A 130 11.795 -21.256 -12.688 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.335 -17.738 -13.017 1.00 0.00 H new ATOM 0 HD22 ASN A 130 11.134 -19.354 -13.702 1.00 0.00 H new ATOM 104 N PHE A 131 9.270 -20.873 -10.379 1.00 0.00 N ATOM 105 CA PHE A 131 8.081 -20.109 -10.023 1.00 0.00 C ATOM 106 C PHE A 131 8.014 -19.891 -8.515 1.00 0.00 C ATOM 107 O PHE A 131 8.189 -18.773 -8.030 1.00 0.00 O ATOM 108 CB PHE A 131 6.825 -20.847 -10.490 1.00 0.00 C ATOM 109 CG PHE A 131 6.219 -20.119 -11.666 1.00 0.00 C ATOM 110 CD1 PHE A 131 5.350 -19.043 -11.451 1.00 0.00 C ATOM 111 CD2 PHE A 131 6.527 -20.520 -12.972 1.00 0.00 C ATOM 112 CE1 PHE A 131 4.788 -18.368 -12.541 1.00 0.00 C ATOM 113 CE2 PHE A 131 5.966 -19.845 -14.062 1.00 0.00 C ATOM 114 CZ PHE A 131 5.096 -18.770 -13.846 1.00 0.00 C ATOM 0 H PHE A 131 9.081 -21.764 -10.838 1.00 0.00 H new ATOM 0 HA PHE A 131 8.136 -19.139 -10.516 1.00 0.00 H new ATOM 0 HB2 PHE A 131 7.075 -21.870 -10.772 1.00 0.00 H new ATOM 0 HB3 PHE A 131 6.103 -20.908 -9.676 1.00 0.00 H new ATOM 0 HD1 PHE A 131 5.113 -18.733 -10.444 1.00 0.00 H new ATOM 0 HD2 PHE A 131 7.198 -21.350 -13.138 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.117 -17.538 -12.375 1.00 0.00 H new ATOM 0 HE2 PHE A 131 6.204 -20.153 -15.069 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.662 -18.250 -14.687 1.00 0.00 H new ATOM 124 N LEU A 132 7.760 -20.967 -7.777 1.00 0.00 N ATOM 125 CA LEU A 132 7.673 -20.882 -6.324 1.00 0.00 C ATOM 126 C LEU A 132 9.004 -20.427 -5.733 1.00 0.00 C ATOM 127 O LEU A 132 9.038 -19.755 -4.702 1.00 0.00 O ATOM 128 CB LEU A 132 7.295 -22.246 -5.743 1.00 0.00 C ATOM 129 CG LEU A 132 6.561 -22.051 -4.417 1.00 0.00 C ATOM 130 CD1 LEU A 132 5.060 -21.908 -4.678 1.00 0.00 C ATOM 131 CD2 LEU A 132 6.807 -23.263 -3.515 1.00 0.00 C ATOM 0 H LEU A 132 7.612 -21.902 -8.158 1.00 0.00 H new ATOM 0 HA LEU A 132 6.906 -20.152 -6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 132 6.662 -22.789 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 132 8.190 -22.848 -5.590 1.00 0.00 H new ATOM 0 HG LEU A 132 6.932 -21.150 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.538 -21.769 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.883 -21.045 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 132 4.689 -22.808 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 132 6.284 -23.125 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.437 -24.163 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 132 7.876 -23.366 -3.327 1.00 0.00 H new ATOM 143 N GLY A 133 10.096 -20.798 -6.393 1.00 0.00 N ATOM 144 CA GLY A 133 11.424 -20.420 -5.922 1.00 0.00 C ATOM 145 C GLY A 133 11.456 -18.957 -5.496 1.00 0.00 C ATOM 146 O GLY A 133 12.154 -18.591 -4.550 1.00 0.00 O ATOM 0 H GLY A 133 10.089 -21.355 -7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 133 11.710 -21.053 -5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 133 12.156 -20.589 -6.712 1.00 0.00 H new ATOM 150 N SER A 134 10.698 -18.124 -6.200 1.00 0.00 N ATOM 151 CA SER A 134 10.648 -16.700 -5.886 1.00 0.00 C ATOM 152 C SER A 134 9.988 -16.475 -4.529 1.00 0.00 C ATOM 153 O SER A 134 10.498 -15.723 -3.698 1.00 0.00 O ATOM 154 CB SER A 134 9.863 -15.955 -6.966 1.00 0.00 C ATOM 155 OG SER A 134 9.529 -14.657 -6.492 1.00 0.00 O ATOM 0 H SER A 134 10.113 -18.407 -6.987 1.00 0.00 H new ATOM 0 HA SER A 134 11.668 -16.318 -5.850 1.00 0.00 H new ATOM 0 HB2 SER A 134 10.457 -15.880 -7.877 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.958 -16.506 -7.220 1.00 0.00 H new ATOM 0 HG SER A 134 9.027 -14.176 -7.182 1.00 0.00 H new ATOM 161 N LEU A 135 8.853 -17.131 -4.311 1.00 0.00 N ATOM 162 CA LEU A 135 8.132 -16.994 -3.052 1.00 0.00 C ATOM 163 C LEU A 135 8.946 -17.580 -1.902 1.00 0.00 C ATOM 164 O LEU A 135 8.793 -17.174 -0.750 1.00 0.00 O ATOM 165 CB LEU A 135 6.784 -17.711 -3.141 1.00 0.00 C ATOM 166 CG LEU A 135 6.045 -17.576 -1.807 1.00 0.00 C ATOM 167 CD1 LEU A 135 4.581 -17.211 -2.070 1.00 0.00 C ATOM 168 CD2 LEU A 135 6.110 -18.906 -1.053 1.00 0.00 C ATOM 0 H LEU A 135 8.415 -17.759 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 135 7.968 -15.933 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.185 -17.284 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.935 -18.764 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 135 6.513 -16.794 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.054 -17.115 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.533 -16.265 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.113 -17.993 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.584 -18.812 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.641 -19.687 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 135 7.151 -19.168 -0.867 1.00 0.00 H new ATOM 180 N LEU A 136 9.811 -18.537 -2.224 1.00 0.00 N ATOM 181 CA LEU A 136 10.645 -19.172 -1.210 1.00 0.00 C ATOM 182 C LEU A 136 11.606 -18.159 -0.596 1.00 0.00 C ATOM 183 O LEU A 136 12.126 -18.368 0.501 1.00 0.00 O ATOM 184 CB LEU A 136 11.441 -20.322 -1.833 1.00 0.00 C ATOM 185 CG LEU A 136 11.188 -21.605 -1.040 1.00 0.00 C ATOM 186 CD1 LEU A 136 9.736 -22.044 -1.226 1.00 0.00 C ATOM 187 CD2 LEU A 136 12.121 -22.707 -1.547 1.00 0.00 C ATOM 0 H LEU A 136 9.952 -18.887 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 136 9.997 -19.563 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.147 -20.461 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 136 12.505 -20.085 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 136 11.378 -21.422 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 136 9.557 -22.958 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 136 9.070 -21.259 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 136 9.544 -22.228 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 136 11.943 -23.623 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 136 11.929 -22.889 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 136 13.157 -22.396 -1.415 1.00 0.00 H new ATOM 199 N ILE A 137 11.838 -17.062 -1.309 1.00 0.00 N ATOM 200 CA ILE A 137 12.738 -16.023 -0.823 1.00 0.00 C ATOM 201 C ILE A 137 12.144 -15.328 0.397 1.00 0.00 C ATOM 202 O ILE A 137 12.861 -14.696 1.175 1.00 0.00 O ATOM 203 CB ILE A 137 12.993 -14.995 -1.926 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.322 -14.284 -1.664 1.00 0.00 C ATOM 205 CG2 ILE A 137 11.859 -13.965 -1.935 1.00 0.00 C ATOM 206 CD1 ILE A 137 14.561 -13.230 -2.746 1.00 0.00 C ATOM 0 H ILE A 137 11.419 -16.870 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 137 13.681 -16.489 -0.537 1.00 0.00 H new ATOM 0 HB ILE A 137 13.035 -15.501 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 137 14.307 -13.814 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 137 15.138 -15.007 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 137 12.040 -13.232 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 137 10.911 -14.469 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 137 11.819 -13.460 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 137 15.508 -12.724 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 137 14.595 -13.712 -3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 137 13.751 -12.501 -2.729 1.00 0.00 H new ATOM 218 N ALA A 138 10.831 -15.449 0.560 1.00 0.00 N ATOM 219 CA ALA A 138 10.150 -14.828 1.690 1.00 0.00 C ATOM 220 C ALA A 138 10.766 -15.292 3.006 1.00 0.00 C ATOM 221 O ALA A 138 10.627 -14.630 4.035 1.00 0.00 O ATOM 222 CB ALA A 138 8.663 -15.188 1.666 1.00 0.00 C ATOM 0 H ALA A 138 10.221 -15.968 -0.071 1.00 0.00 H new ATOM 0 HA ALA A 138 10.263 -13.747 1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 138 8.162 -14.720 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 138 8.217 -14.830 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 138 8.550 -16.270 1.730 1.00 0.00 H new ATOM 228 N GLY A 139 11.446 -16.434 2.966 1.00 0.00 N ATOM 229 CA GLY A 139 12.080 -16.976 4.162 1.00 0.00 C ATOM 230 C GLY A 139 13.425 -16.305 4.417 1.00 0.00 C ATOM 231 O GLY A 139 13.895 -16.248 5.554 1.00 0.00 O ATOM 0 H GLY A 139 11.571 -16.998 2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 139 11.427 -16.830 5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 139 12.221 -18.051 4.048 1.00 0.00 H new ATOM 235 N CYS A 140 14.041 -15.802 3.353 1.00 0.00 N ATOM 236 CA CYS A 140 15.333 -15.137 3.473 1.00 0.00 C ATOM 237 C CYS A 140 15.201 -13.854 4.286 1.00 0.00 C ATOM 238 O CYS A 140 16.176 -13.369 4.862 1.00 0.00 O ATOM 239 CB CYS A 140 15.884 -14.810 2.084 1.00 0.00 C ATOM 240 SG CYS A 140 17.537 -15.524 1.907 1.00 0.00 S ATOM 0 H CYS A 140 13.670 -15.841 2.404 1.00 0.00 H new ATOM 0 HA CYS A 140 16.020 -15.810 3.986 1.00 0.00 H new ATOM 0 HB2 CYS A 140 15.221 -15.207 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 140 15.926 -13.730 1.943 1.00 0.00 H new ATOM 0 HG CYS A 140 18.005 -15.248 0.726 1.00 0.00 H new ATOM 246 N ILE A 141 13.992 -13.304 4.326 1.00 0.00 N ATOM 247 CA ILE A 141 13.744 -12.076 5.071 1.00 0.00 C ATOM 248 C ILE A 141 13.976 -12.298 6.563 1.00 0.00 C ATOM 249 O ILE A 141 14.409 -11.392 7.274 1.00 0.00 O ATOM 250 CB ILE A 141 12.308 -11.606 4.841 1.00 0.00 C ATOM 251 CG1 ILE A 141 12.221 -10.872 3.501 1.00 0.00 C ATOM 252 CG2 ILE A 141 11.893 -10.658 5.968 1.00 0.00 C ATOM 253 CD1 ILE A 141 12.651 -11.813 2.374 1.00 0.00 C ATOM 0 H ILE A 141 13.173 -13.687 3.854 1.00 0.00 H new ATOM 0 HA ILE A 141 14.437 -11.313 4.716 1.00 0.00 H new ATOM 0 HB ILE A 141 11.642 -12.469 4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 141 11.202 -10.525 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 141 12.860 -9.989 3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 141 10.869 -10.323 5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 141 11.955 -11.179 6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 141 12.559 -9.795 5.981 1.00 0.00 H new ATOM 0 HD11 ILE A 141 12.589 -11.290 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 141 13.677 -12.138 2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 141 11.993 -12.682 2.355 1.00 0.00 H new ATOM 265 N THR A 142 13.689 -13.510 7.028 1.00 0.00 N ATOM 266 CA THR A 142 13.870 -13.839 8.438 1.00 0.00 C ATOM 267 C THR A 142 15.333 -13.688 8.838 1.00 0.00 C ATOM 268 O THR A 142 15.642 -13.341 9.978 1.00 0.00 O ATOM 269 CB THR A 142 13.411 -15.274 8.702 1.00 0.00 C ATOM 270 OG1 THR A 142 12.160 -15.494 8.066 1.00 0.00 O ATOM 271 CG2 THR A 142 13.266 -15.495 10.208 1.00 0.00 C ATOM 0 H THR A 142 13.333 -14.275 6.455 1.00 0.00 H new ATOM 0 HA THR A 142 13.270 -13.151 9.033 1.00 0.00 H new ATOM 0 HB THR A 142 14.148 -15.971 8.304 1.00 0.00 H new ATOM 0 HG1 THR A 142 12.310 -15.824 7.156 1.00 0.00 H new ATOM 0 HG21 THR A 142 12.939 -16.518 10.396 1.00 0.00 H new ATOM 0 HG22 THR A 142 14.227 -15.326 10.695 1.00 0.00 H new ATOM 0 HG23 THR A 142 12.529 -14.799 10.609 1.00 0.00 H new ATOM 279 N SER A 143 16.231 -13.950 7.894 1.00 0.00 N ATOM 280 CA SER A 143 17.661 -13.838 8.160 1.00 0.00 C ATOM 281 C SER A 143 18.468 -14.369 6.981 1.00 0.00 C ATOM 282 O SER A 143 18.195 -15.453 6.465 1.00 0.00 O ATOM 283 CB SER A 143 18.019 -14.627 9.421 1.00 0.00 C ATOM 284 OG SER A 143 19.355 -15.101 9.313 1.00 0.00 O ATOM 0 H SER A 143 15.997 -14.239 6.944 1.00 0.00 H new ATOM 0 HA SER A 143 17.904 -12.786 8.307 1.00 0.00 H new ATOM 0 HB2 SER A 143 17.915 -13.994 10.302 1.00 0.00 H new ATOM 0 HB3 SER A 143 17.333 -15.464 9.548 1.00 0.00 H new ATOM 0 HG SER A 143 19.589 -15.606 10.120 1.00 0.00 H new ATOM 290 N THR A 144 19.467 -13.599 6.558 1.00 0.00 N ATOM 291 CA THR A 144 20.308 -14.001 5.438 1.00 0.00 C ATOM 292 C THR A 144 21.476 -14.852 5.925 1.00 0.00 C ATOM 293 O THR A 144 22.448 -14.326 6.465 1.00 0.00 O ATOM 294 CB THR A 144 20.841 -12.762 4.713 1.00 0.00 C ATOM 295 OG1 THR A 144 21.029 -11.712 5.652 1.00 0.00 O ATOM 296 CG2 THR A 144 19.839 -12.323 3.645 1.00 0.00 C ATOM 0 H THR A 144 19.712 -12.699 6.972 1.00 0.00 H new ATOM 0 HA THR A 144 19.706 -14.592 4.748 1.00 0.00 H new ATOM 0 HB THR A 144 21.793 -12.999 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 144 21.372 -10.918 5.191 1.00 0.00 H new ATOM 0 HG21 THR A 144 20.219 -11.441 3.130 1.00 0.00 H new ATOM 0 HG22 THR A 144 19.696 -13.130 2.926 1.00 0.00 H new ATOM 0 HG23 THR A 144 18.886 -12.085 4.117 1.00 0.00 H new ATOM 304 N ASP A 145 21.360 -16.167 5.724 1.00 0.00 N ATOM 305 CA ASP A 145 22.397 -17.117 6.138 1.00 0.00 C ATOM 306 C ASP A 145 23.793 -16.482 6.091 1.00 0.00 C ATOM 307 O ASP A 145 24.425 -16.455 5.036 1.00 0.00 O ATOM 308 CB ASP A 145 22.375 -18.327 5.202 1.00 0.00 C ATOM 309 CG ASP A 145 21.022 -19.027 5.284 1.00 0.00 C ATOM 310 OD1 ASP A 145 20.018 -18.334 5.281 1.00 0.00 O ATOM 311 OD2 ASP A 145 21.011 -20.245 5.346 1.00 0.00 O1- ATOM 0 H ASP A 145 20.554 -16.601 5.274 1.00 0.00 H new ATOM 0 HA ASP A 145 22.188 -17.418 7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 145 22.567 -18.008 4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 145 23.170 -19.022 5.474 1.00 0.00 H new ATOM 316 N PRO A 146 24.292 -15.973 7.198 1.00 0.00 N ATOM 317 CA PRO A 146 25.643 -15.337 7.241 1.00 0.00 C ATOM 318 C PRO A 146 26.729 -16.272 6.712 1.00 0.00 C ATOM 319 O PRO A 146 26.953 -17.351 7.262 1.00 0.00 O ATOM 320 CB PRO A 146 25.867 -15.026 8.724 1.00 0.00 C ATOM 321 CG PRO A 146 24.508 -14.992 9.337 1.00 0.00 C ATOM 322 CD PRO A 146 23.639 -15.945 8.521 1.00 0.00 C ATOM 0 HA PRO A 146 25.693 -14.449 6.610 1.00 0.00 H new ATOM 0 HB2 PRO A 146 26.490 -15.787 9.194 1.00 0.00 H new ATOM 0 HB3 PRO A 146 26.378 -14.072 8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 146 24.546 -15.301 10.382 1.00 0.00 H new ATOM 0 HG3 PRO A 146 24.099 -13.982 9.318 1.00 0.00 H new ATOM 0 HD2 PRO A 146 23.603 -16.937 8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 146 22.611 -15.589 8.452 1.00 0.00 H new ATOM 330 N VAL A 147 27.399 -15.850 5.646 1.00 0.00 N ATOM 331 CA VAL A 147 28.459 -16.660 5.054 1.00 0.00 C ATOM 332 C VAL A 147 29.794 -16.377 5.735 1.00 0.00 C ATOM 333 O VAL A 147 30.468 -15.396 5.419 1.00 0.00 O ATOM 334 CB VAL A 147 28.573 -16.358 3.559 1.00 0.00 C ATOM 335 CG1 VAL A 147 29.471 -17.403 2.893 1.00 0.00 C ATOM 336 CG2 VAL A 147 27.180 -16.405 2.923 1.00 0.00 C ATOM 0 H VAL A 147 27.230 -14.960 5.177 1.00 0.00 H new ATOM 0 HA VAL A 147 28.208 -17.711 5.195 1.00 0.00 H new ATOM 0 HB VAL A 147 29.005 -15.367 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 147 29.552 -17.187 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 147 30.462 -17.373 3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 147 29.039 -18.394 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 147 27.259 -16.190 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 147 26.750 -17.397 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 147 26.539 -15.662 3.396 1.00 0.00 H new ATOM 346 N LEU A 148 30.172 -17.245 6.669 1.00 0.00 N ATOM 347 CA LEU A 148 31.429 -17.080 7.387 1.00 0.00 C ATOM 348 C LEU A 148 32.614 -17.328 6.458 1.00 0.00 C ATOM 349 O LEU A 148 33.693 -16.766 6.649 1.00 0.00 O ATOM 350 CB LEU A 148 31.489 -18.054 8.566 1.00 0.00 C ATOM 351 CG LEU A 148 30.183 -17.979 9.358 1.00 0.00 C ATOM 352 CD1 LEU A 148 29.373 -19.257 9.128 1.00 0.00 C ATOM 353 CD2 LEU A 148 30.499 -17.838 10.849 1.00 0.00 C ATOM 0 H LEU A 148 29.629 -18.064 6.944 1.00 0.00 H new ATOM 0 HA LEU A 148 31.482 -16.057 7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 148 31.649 -19.070 8.204 1.00 0.00 H new ATOM 0 HB3 LEU A 148 32.332 -17.809 9.211 1.00 0.00 H new ATOM 0 HG LEU A 148 29.605 -17.117 9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 148 28.442 -19.204 9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 148 29.149 -19.359 8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 148 29.951 -20.119 9.461 1.00 0.00 H new ATOM 0 HD21 LEU A 148 29.569 -17.784 11.415 1.00 0.00 H new ATOM 0 HD22 LEU A 148 31.077 -18.700 11.182 1.00 0.00 H new ATOM 0 HD23 LEU A 148 31.077 -16.929 11.014 1.00 0.00 H new ATOM 365 N SER A 149 32.406 -18.175 5.455 1.00 0.00 N ATOM 366 CA SER A 149 33.464 -18.492 4.503 1.00 0.00 C ATOM 367 C SER A 149 34.004 -17.221 3.857 1.00 0.00 C ATOM 368 O SER A 149 35.175 -17.155 3.479 1.00 0.00 O ATOM 369 CB SER A 149 32.928 -19.428 3.420 1.00 0.00 C ATOM 370 OG SER A 149 31.885 -20.228 3.964 1.00 0.00 O ATOM 0 H SER A 149 31.521 -18.651 5.281 1.00 0.00 H new ATOM 0 HA SER A 149 34.274 -18.984 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 149 32.555 -18.849 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 149 33.730 -20.063 3.042 1.00 0.00 H new ATOM 0 HG SER A 149 31.538 -20.828 3.271 1.00 0.00 H new ATOM 376 N ALA A 150 33.146 -16.214 3.732 1.00 0.00 N ATOM 377 CA ALA A 150 33.550 -14.949 3.129 1.00 0.00 C ATOM 378 C ALA A 150 34.588 -14.248 3.999 1.00 0.00 C ATOM 379 O ALA A 150 35.554 -13.678 3.492 1.00 0.00 O ATOM 380 CB ALA A 150 32.332 -14.042 2.953 1.00 0.00 C ATOM 0 H ALA A 150 32.173 -16.248 4.038 1.00 0.00 H new ATOM 0 HA ALA A 150 33.991 -15.157 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 150 32.642 -13.099 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 150 31.604 -14.532 2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 150 31.880 -13.847 3.925 1.00 0.00 H new ATOM 386 N LEU A 151 34.382 -14.294 5.311 1.00 0.00 N ATOM 387 CA LEU A 151 35.307 -13.660 6.243 1.00 0.00 C ATOM 388 C LEU A 151 36.632 -14.413 6.278 1.00 0.00 C ATOM 389 O LEU A 151 37.703 -13.805 6.286 1.00 0.00 O ATOM 390 CB LEU A 151 34.698 -13.629 7.645 1.00 0.00 C ATOM 391 CG LEU A 151 34.808 -12.217 8.222 1.00 0.00 C ATOM 392 CD1 LEU A 151 34.231 -12.195 9.638 1.00 0.00 C ATOM 393 CD2 LEU A 151 36.280 -11.798 8.265 1.00 0.00 C ATOM 0 H LEU A 151 33.588 -14.760 5.751 1.00 0.00 H new ATOM 0 HA LEU A 151 35.491 -12.640 5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 151 33.653 -13.936 7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 151 35.214 -14.338 8.292 1.00 0.00 H new ATOM 0 HG LEU A 151 34.249 -11.524 7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 151 34.310 -11.188 10.048 1.00 0.00 H new ATOM 0 HD12 LEU A 151 33.183 -12.493 9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 151 34.788 -12.888 10.269 1.00 0.00 H new ATOM 0 HD21 LEU A 151 36.360 -10.792 8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 151 36.838 -12.492 8.894 1.00 0.00 H new ATOM 0 HD23 LEU A 151 36.692 -11.811 7.256 1.00 0.00 H new ATOM 405 N ILE A 152 36.552 -15.739 6.301 1.00 0.00 N ATOM 406 CA ILE A 152 37.753 -16.568 6.335 1.00 0.00 C ATOM 407 C ILE A 152 38.473 -16.523 4.991 1.00 0.00 C ATOM 408 O ILE A 152 39.641 -16.142 4.916 1.00 0.00 O ATOM 409 CB ILE A 152 37.380 -18.013 6.669 1.00 0.00 C ATOM 410 CG1 ILE A 152 36.671 -18.054 8.025 1.00 0.00 C ATOM 411 CG2 ILE A 152 38.648 -18.866 6.731 1.00 0.00 C ATOM 412 CD1 ILE A 152 35.994 -19.415 8.205 1.00 0.00 C ATOM 0 H ILE A 152 35.675 -16.261 6.297 1.00 0.00 H new ATOM 0 HA ILE A 152 38.420 -16.178 7.104 1.00 0.00 H new ATOM 0 HB ILE A 152 36.716 -18.405 5.898 1.00 0.00 H new ATOM 0 HG12 ILE A 152 37.388 -17.883 8.828 1.00 0.00 H new ATOM 0 HG13 ILE A 152 35.930 -17.257 8.085 1.00 0.00 H new ATOM 0 HG21 ILE A 152 38.382 -19.896 6.969 1.00 0.00 H new ATOM 0 HG22 ILE A 152 39.154 -18.836 5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 152 39.312 -18.475 7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 152 35.489 -19.445 9.170 1.00 0.00 H new ATOM 0 HD12 ILE A 152 35.265 -19.567 7.409 1.00 0.00 H new ATOM 0 HD13 ILE A 152 36.745 -20.203 8.164 1.00 0.00 H new ATOM 424 N VAL A 153 37.768 -16.912 3.935 1.00 0.00 N ATOM 425 CA VAL A 153 38.350 -16.913 2.598 1.00 0.00 C ATOM 426 C VAL A 153 37.876 -15.698 1.807 1.00 0.00 C ATOM 427 O VAL A 153 36.693 -15.355 1.829 1.00 0.00 O ATOM 428 CB VAL A 153 37.958 -18.192 1.856 1.00 0.00 C ATOM 429 CG1 VAL A 153 38.255 -18.031 0.365 1.00 0.00 C ATOM 430 CG2 VAL A 153 38.764 -19.369 2.412 1.00 0.00 C ATOM 0 H VAL A 153 36.799 -17.229 3.977 1.00 0.00 H new ATOM 0 HA VAL A 153 39.435 -16.869 2.695 1.00 0.00 H new ATOM 0 HB VAL A 153 36.893 -18.380 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 153 37.975 -18.943 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 153 37.683 -17.192 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 153 39.319 -17.843 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 153 38.486 -20.282 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 153 39.828 -19.179 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 153 38.552 -19.485 3.475 1.00 0.00 H new ATOM 440 N GLY A 154 38.803 -15.053 1.109 1.00 0.00 N ATOM 441 CA GLY A 154 38.468 -13.876 0.314 1.00 0.00 C ATOM 442 C GLY A 154 39.648 -13.447 -0.550 1.00 0.00 C ATOM 443 O GLY A 154 40.798 -13.495 -0.114 1.00 0.00 O ATOM 0 H GLY A 154 39.786 -15.322 1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 154 37.608 -14.094 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 154 38.179 -13.058 0.973 1.00 0.00 H new TER 447 GLY A 154