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= -0.238 X(o=-0.24,f=-0.086) USER MOD Single : A 130 ASN : amide:sc= -0.573! C(o=-0.57!,f=-0.46!) USER MOD Single : A 134 SER OG : rot 72:sc= 1.22 USER MOD Single : A 140 CYS SG : rot 180:sc= 0 USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.512 USER MOD Single : A 149 SER OG : rot 180:sc= -0.0436 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 7.143 -31.490 -6.127 1.00 0.00 N ATOM 2 CA LEU A 125 7.821 -31.148 -4.882 1.00 0.00 C ATOM 3 C LEU A 125 9.044 -30.279 -5.159 1.00 0.00 C ATOM 4 O LEU A 125 9.870 -30.053 -4.276 1.00 0.00 O ATOM 5 CB LEU A 125 8.253 -32.423 -4.155 1.00 0.00 C ATOM 6 CG LEU A 125 7.079 -32.971 -3.343 1.00 0.00 C ATOM 7 CD1 LEU A 125 7.175 -34.495 -3.268 1.00 0.00 C ATOM 8 CD2 LEU A 125 7.123 -32.388 -1.929 1.00 0.00 C ATOM 0 HA LEU A 125 7.127 -30.589 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.590 -33.168 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 125 9.096 -32.211 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 125 6.142 -32.690 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.338 -34.884 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.145 -34.911 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.111 -34.777 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 125 6.287 -32.778 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 125 8.060 -32.669 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 125 7.054 -31.301 -1.981 1.00 0.00 H new ATOM 20 N PHE A 126 9.152 -29.795 -6.393 1.00 0.00 N ATOM 21 CA PHE A 126 10.279 -28.952 -6.775 1.00 0.00 C ATOM 22 C PHE A 126 9.851 -27.932 -7.825 1.00 0.00 C ATOM 23 O PHE A 126 10.287 -27.989 -8.976 1.00 0.00 O ATOM 24 CB PHE A 126 11.411 -29.816 -7.332 1.00 0.00 C ATOM 25 CG PHE A 126 12.702 -29.032 -7.306 1.00 0.00 C ATOM 26 CD1 PHE A 126 13.370 -28.823 -6.093 1.00 0.00 C ATOM 27 CD2 PHE A 126 13.230 -28.513 -8.495 1.00 0.00 C ATOM 28 CE1 PHE A 126 14.566 -28.096 -6.069 1.00 0.00 C ATOM 29 CE2 PHE A 126 14.426 -27.785 -8.470 1.00 0.00 C ATOM 30 CZ PHE A 126 15.095 -27.577 -7.257 1.00 0.00 C ATOM 0 H PHE A 126 8.479 -29.970 -7.139 1.00 0.00 H new ATOM 0 HA PHE A 126 10.629 -28.421 -5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 126 11.513 -30.726 -6.740 1.00 0.00 H new ATOM 0 HB3 PHE A 126 11.180 -30.123 -8.352 1.00 0.00 H new ATOM 0 HD1 PHE A 126 12.962 -29.223 -5.176 1.00 0.00 H new ATOM 0 HD2 PHE A 126 12.715 -28.674 -9.431 1.00 0.00 H new ATOM 0 HE1 PHE A 126 15.081 -27.935 -5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 126 14.833 -27.384 -9.386 1.00 0.00 H new ATOM 0 HZ PHE A 126 16.018 -27.017 -7.238 1.00 0.00 H new ATOM 40 N PRO A 127 9.013 -27.006 -7.447 1.00 0.00 N ATOM 41 CA PRO A 127 8.510 -25.946 -8.365 1.00 0.00 C ATOM 42 C PRO A 127 9.639 -25.286 -9.153 1.00 0.00 C ATOM 43 O PRO A 127 10.428 -24.520 -8.601 1.00 0.00 O ATOM 44 CB PRO A 127 7.839 -24.942 -7.428 1.00 0.00 C ATOM 45 CG PRO A 127 7.448 -25.725 -6.217 1.00 0.00 C ATOM 46 CD PRO A 127 8.451 -26.874 -6.093 1.00 0.00 C ATOM 0 HA PRO A 127 7.834 -26.346 -9.121 1.00 0.00 H new ATOM 0 HB2 PRO A 127 8.520 -24.132 -7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 127 6.968 -24.487 -7.899 1.00 0.00 H new ATOM 0 HG2 PRO A 127 7.468 -25.096 -5.327 1.00 0.00 H new ATOM 0 HG3 PRO A 127 6.432 -26.107 -6.315 1.00 0.00 H new ATOM 0 HD2 PRO A 127 9.226 -26.650 -5.360 1.00 0.00 H new ATOM 0 HD3 PRO A 127 7.965 -27.795 -5.771 1.00 0.00 H new ATOM 54 N GLN A 128 9.707 -25.589 -10.445 1.00 0.00 N ATOM 55 CA GLN A 128 10.743 -25.018 -11.300 1.00 0.00 C ATOM 56 C GLN A 128 10.386 -23.590 -11.693 1.00 0.00 C ATOM 57 O GLN A 128 11.254 -22.808 -12.083 1.00 0.00 O ATOM 58 CB GLN A 128 10.909 -25.871 -12.559 1.00 0.00 C ATOM 59 CG GLN A 128 12.062 -26.857 -12.362 1.00 0.00 C ATOM 60 CD GLN A 128 13.396 -26.141 -12.539 1.00 0.00 C ATOM 61 OE1 GLN A 128 13.717 -25.687 -13.638 1.00 0.00 O ATOM 62 NE2 GLN A 128 14.199 -26.013 -11.518 1.00 0.00 N ATOM 0 H GLN A 128 9.063 -26.221 -10.921 1.00 0.00 H new ATOM 0 HA GLN A 128 11.681 -25.005 -10.744 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.986 -26.412 -12.768 1.00 0.00 H new ATOM 0 HB3 GLN A 128 11.106 -25.232 -13.420 1.00 0.00 H new ATOM 0 HG2 GLN A 128 12.007 -27.300 -11.368 1.00 0.00 H new ATOM 0 HG3 GLN A 128 11.980 -27.673 -13.080 1.00 0.00 H new ATOM 0 HE21 GLN A 128 13.932 -26.390 -10.609 1.00 0.00 H new ATOM 0 HE22 GLN A 128 15.094 -25.536 -11.630 1.00 0.00 H new ATOM 71 N ILE A 129 9.105 -23.254 -11.589 1.00 0.00 N ATOM 72 CA ILE A 129 8.645 -21.915 -11.936 1.00 0.00 C ATOM 73 C ILE A 129 9.245 -20.880 -10.990 1.00 0.00 C ATOM 74 O ILE A 129 9.383 -21.126 -9.792 1.00 0.00 O ATOM 75 CB ILE A 129 7.119 -21.851 -11.862 1.00 0.00 C ATOM 76 CG1 ILE A 129 6.605 -22.989 -10.977 1.00 0.00 C ATOM 77 CG2 ILE A 129 6.533 -21.996 -13.268 1.00 0.00 C ATOM 78 CD1 ILE A 129 5.152 -22.712 -10.582 1.00 0.00 C ATOM 0 H ILE A 129 8.371 -23.886 -11.269 1.00 0.00 H new ATOM 0 HA ILE A 129 8.969 -21.693 -12.953 1.00 0.00 H new ATOM 0 HB ILE A 129 6.815 -20.894 -11.439 1.00 0.00 H new ATOM 0 HG12 ILE A 129 6.674 -23.938 -11.510 1.00 0.00 H new ATOM 0 HG13 ILE A 129 7.225 -23.079 -10.085 1.00 0.00 H new ATOM 0 HG21 ILE A 129 5.445 -21.950 -13.215 1.00 0.00 H new ATOM 0 HG22 ILE A 129 6.900 -21.187 -13.900 1.00 0.00 H new ATOM 0 HG23 ILE A 129 6.836 -22.954 -13.691 1.00 0.00 H new ATOM 0 HD11 ILE A 129 4.786 -23.522 -9.952 1.00 0.00 H new ATOM 0 HD12 ILE A 129 5.097 -21.772 -10.033 1.00 0.00 H new ATOM 0 HD13 ILE A 129 4.537 -22.644 -11.480 1.00 0.00 H new ATOM 90 N ASN A 130 9.600 -19.722 -11.537 1.00 0.00 N ATOM 91 CA ASN A 130 10.185 -18.656 -10.732 1.00 0.00 C ATOM 92 C ASN A 130 9.150 -18.083 -9.768 1.00 0.00 C ATOM 93 O ASN A 130 9.501 -17.455 -8.768 1.00 0.00 O ATOM 94 CB ASN A 130 10.710 -17.543 -11.641 1.00 0.00 C ATOM 95 CG ASN A 130 10.862 -18.062 -13.067 1.00 0.00 C ATOM 96 OD1 ASN A 130 11.886 -18.656 -13.407 1.00 0.00 O ATOM 97 ND2 ASN A 130 9.899 -17.874 -13.927 1.00 0.00 N ATOM 0 H ASN A 130 9.494 -19.499 -12.527 1.00 0.00 H new ATOM 0 HA ASN A 130 11.010 -19.073 -10.155 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.025 -16.695 -11.625 1.00 0.00 H new ATOM 0 HB3 ASN A 130 11.670 -17.183 -11.272 1.00 0.00 H new ATOM 0 HD21 ASN A 130 9.994 -18.219 -14.882 1.00 0.00 H new ATOM 0 HD22 ASN A 130 9.051 -17.382 -13.644 1.00 0.00 H new ATOM 104 N PHE A 131 7.877 -18.303 -10.076 1.00 0.00 N ATOM 105 CA PHE A 131 6.799 -17.804 -9.229 1.00 0.00 C ATOM 106 C PHE A 131 6.895 -18.405 -7.830 1.00 0.00 C ATOM 107 O PHE A 131 7.190 -17.704 -6.862 1.00 0.00 O ATOM 108 CB PHE A 131 5.445 -18.157 -9.846 1.00 0.00 C ATOM 109 CG PHE A 131 4.768 -16.895 -10.330 1.00 0.00 C ATOM 110 CD1 PHE A 131 4.038 -16.106 -9.434 1.00 0.00 C ATOM 111 CD2 PHE A 131 4.872 -16.517 -11.673 1.00 0.00 C ATOM 112 CE1 PHE A 131 3.412 -14.936 -9.882 1.00 0.00 C ATOM 113 CE2 PHE A 131 4.244 -15.348 -12.122 1.00 0.00 C ATOM 114 CZ PHE A 131 3.515 -14.559 -11.225 1.00 0.00 C ATOM 0 H PHE A 131 7.567 -18.819 -10.899 1.00 0.00 H new ATOM 0 HA PHE A 131 6.893 -16.721 -9.154 1.00 0.00 H new ATOM 0 HB2 PHE A 131 5.581 -18.851 -10.676 1.00 0.00 H new ATOM 0 HB3 PHE A 131 4.818 -18.660 -9.110 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.957 -16.399 -8.398 1.00 0.00 H new ATOM 0 HD2 PHE A 131 5.436 -17.126 -12.363 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.850 -14.325 -9.191 1.00 0.00 H new ATOM 0 HE2 PHE A 131 4.322 -15.056 -13.159 1.00 0.00 H new ATOM 0 HZ PHE A 131 3.031 -13.657 -11.570 1.00 0.00 H new ATOM 124 N LEU A 132 6.645 -19.707 -7.733 1.00 0.00 N ATOM 125 CA LEU A 132 6.707 -20.391 -6.447 1.00 0.00 C ATOM 126 C LEU A 132 8.115 -20.318 -5.867 1.00 0.00 C ATOM 127 O LEU A 132 8.301 -20.387 -4.652 1.00 0.00 O ATOM 128 CB LEU A 132 6.297 -21.856 -6.615 1.00 0.00 C ATOM 129 CG LEU A 132 4.884 -22.057 -6.064 1.00 0.00 C ATOM 130 CD1 LEU A 132 3.911 -21.138 -6.805 1.00 0.00 C ATOM 131 CD2 LEU A 132 4.461 -23.514 -6.265 1.00 0.00 C ATOM 0 H LEU A 132 6.400 -20.305 -8.522 1.00 0.00 H new ATOM 0 HA LEU A 132 6.019 -19.897 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 132 6.331 -22.136 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 132 6.999 -22.504 -6.090 1.00 0.00 H new ATOM 0 HG LEU A 132 4.872 -21.817 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 132 2.904 -21.281 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.211 -20.100 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 132 3.923 -21.377 -7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.454 -23.658 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 132 4.474 -23.753 -7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.153 -24.170 -5.737 1.00 0.00 H new ATOM 143 N GLY A 133 9.104 -20.178 -6.744 1.00 0.00 N ATOM 144 CA GLY A 133 10.493 -20.096 -6.307 1.00 0.00 C ATOM 145 C GLY A 133 10.762 -18.778 -5.590 1.00 0.00 C ATOM 146 O GLY A 133 11.721 -18.661 -4.827 1.00 0.00 O ATOM 0 H GLY A 133 8.971 -20.119 -7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.719 -20.929 -5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.155 -20.188 -7.168 1.00 0.00 H new ATOM 150 N SER A 134 9.910 -17.790 -5.839 1.00 0.00 N ATOM 151 CA SER A 134 10.066 -16.484 -5.211 1.00 0.00 C ATOM 152 C SER A 134 9.829 -16.580 -3.708 1.00 0.00 C ATOM 153 O SER A 134 10.454 -15.866 -2.923 1.00 0.00 O ATOM 154 CB SER A 134 9.079 -15.489 -5.822 1.00 0.00 C ATOM 155 OG SER A 134 9.281 -15.430 -7.228 1.00 0.00 O ATOM 0 H SER A 134 9.110 -17.867 -6.467 1.00 0.00 H new ATOM 0 HA SER A 134 11.085 -16.138 -5.385 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.056 -15.793 -5.603 1.00 0.00 H new ATOM 0 HB3 SER A 134 9.220 -14.502 -5.381 1.00 0.00 H new ATOM 0 HG SER A 134 8.962 -16.260 -7.639 1.00 0.00 H new ATOM 161 N LEU A 135 8.922 -17.467 -3.313 1.00 0.00 N ATOM 162 CA LEU A 135 8.609 -17.648 -1.900 1.00 0.00 C ATOM 163 C LEU A 135 9.811 -18.220 -1.154 1.00 0.00 C ATOM 164 O LEU A 135 9.904 -18.111 0.068 1.00 0.00 O ATOM 165 CB LEU A 135 7.416 -18.593 -1.745 1.00 0.00 C ATOM 166 CG LEU A 135 6.120 -17.827 -2.025 1.00 0.00 C ATOM 167 CD1 LEU A 135 5.081 -18.781 -2.618 1.00 0.00 C ATOM 168 CD2 LEU A 135 5.585 -17.240 -0.717 1.00 0.00 C ATOM 0 H LEU A 135 8.394 -18.068 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 135 8.360 -16.675 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.511 -19.432 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.395 -19.008 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 135 6.318 -17.022 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.158 -18.236 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.462 -19.201 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.881 -19.586 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.662 -16.694 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.386 -18.046 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.325 -16.561 -0.293 1.00 0.00 H new ATOM 180 N LEU A 136 10.728 -18.829 -1.899 1.00 0.00 N ATOM 181 CA LEU A 136 11.921 -19.414 -1.298 1.00 0.00 C ATOM 182 C LEU A 136 12.789 -18.331 -0.665 1.00 0.00 C ATOM 183 O LEU A 136 13.129 -18.405 0.516 1.00 0.00 O ATOM 184 CB LEU A 136 12.729 -20.162 -2.361 1.00 0.00 C ATOM 185 CG LEU A 136 13.768 -21.053 -1.678 1.00 0.00 C ATOM 186 CD1 LEU A 136 13.238 -22.485 -1.596 1.00 0.00 C ATOM 187 CD2 LEU A 136 15.065 -21.036 -2.493 1.00 0.00 C ATOM 0 H LEU A 136 10.669 -18.930 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 136 11.608 -20.112 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 136 12.065 -20.767 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 136 13.223 -19.452 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 136 13.963 -20.680 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 136 13.979 -23.120 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.313 -22.498 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 136 13.044 -22.859 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 136 15.807 -21.670 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 136 14.868 -21.410 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 136 15.443 -20.016 -2.553 1.00 0.00 H new ATOM 199 N ILE A 137 13.142 -17.325 -1.458 1.00 0.00 N ATOM 200 CA ILE A 137 13.971 -16.231 -0.964 1.00 0.00 C ATOM 201 C ILE A 137 13.205 -15.397 0.057 1.00 0.00 C ATOM 202 O ILE A 137 13.799 -14.793 0.950 1.00 0.00 O ATOM 203 CB ILE A 137 14.407 -15.340 -2.129 1.00 0.00 C ATOM 204 CG1 ILE A 137 13.182 -14.956 -2.962 1.00 0.00 C ATOM 205 CG2 ILE A 137 15.403 -16.099 -3.009 1.00 0.00 C ATOM 206 CD1 ILE A 137 13.561 -13.849 -3.948 1.00 0.00 C ATOM 0 H ILE A 137 12.870 -17.244 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 137 14.851 -16.656 -0.482 1.00 0.00 H new ATOM 0 HB ILE A 137 14.880 -14.439 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 137 12.809 -15.826 -3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 137 12.377 -14.617 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 137 15.713 -15.464 -3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 137 16.276 -16.374 -2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 137 14.930 -17.000 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 137 12.688 -13.576 -4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.913 -12.977 -3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 137 14.352 -14.205 -4.608 1.00 0.00 H new ATOM 218 N ALA A 138 11.883 -15.370 -0.080 1.00 0.00 N ATOM 219 CA ALA A 138 11.045 -14.607 0.838 1.00 0.00 C ATOM 220 C ALA A 138 11.295 -15.042 2.279 1.00 0.00 C ATOM 221 O ALA A 138 11.077 -14.273 3.215 1.00 0.00 O ATOM 222 CB ALA A 138 9.570 -14.811 0.490 1.00 0.00 C ATOM 0 H ALA A 138 11.372 -15.864 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 138 11.299 -13.551 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 138 8.951 -14.238 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 138 9.386 -14.472 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 138 9.320 -15.869 0.571 1.00 0.00 H new ATOM 228 N GLY A 139 11.753 -16.277 2.448 1.00 0.00 N ATOM 229 CA GLY A 139 12.030 -16.804 3.779 1.00 0.00 C ATOM 230 C GLY A 139 13.343 -16.251 4.323 1.00 0.00 C ATOM 231 O GLY A 139 13.557 -16.209 5.534 1.00 0.00 O ATOM 0 H GLY A 139 11.939 -16.928 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 139 11.214 -16.544 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 139 12.078 -17.892 3.741 1.00 0.00 H new ATOM 235 N CYS A 140 14.220 -15.828 3.417 1.00 0.00 N ATOM 236 CA CYS A 140 15.511 -15.279 3.818 1.00 0.00 C ATOM 237 C CYS A 140 15.324 -13.970 4.578 1.00 0.00 C ATOM 238 O CYS A 140 16.089 -13.657 5.491 1.00 0.00 O ATOM 239 CB CYS A 140 16.379 -15.033 2.582 1.00 0.00 C ATOM 240 SG CYS A 140 18.127 -15.083 3.053 1.00 0.00 S ATOM 0 H CYS A 140 14.063 -15.854 2.410 1.00 0.00 H new ATOM 0 HA CYS A 140 16.004 -15.998 4.472 1.00 0.00 H new ATOM 0 HB2 CYS A 140 16.174 -15.789 1.824 1.00 0.00 H new ATOM 0 HB3 CYS A 140 16.137 -14.066 2.141 1.00 0.00 H new ATOM 0 HG CYS A 140 18.865 -14.876 2.003 1.00 0.00 H new ATOM 246 N ILE A 141 14.302 -13.211 4.197 1.00 0.00 N ATOM 247 CA ILE A 141 14.024 -11.938 4.852 1.00 0.00 C ATOM 248 C ILE A 141 13.650 -12.157 6.314 1.00 0.00 C ATOM 249 O ILE A 141 14.119 -11.441 7.199 1.00 0.00 O ATOM 250 CB ILE A 141 12.882 -11.220 4.133 1.00 0.00 C ATOM 251 CG1 ILE A 141 13.423 -10.532 2.878 1.00 0.00 C ATOM 252 CG2 ILE A 141 12.270 -10.170 5.064 1.00 0.00 C ATOM 253 CD1 ILE A 141 14.053 -11.575 1.955 1.00 0.00 C ATOM 0 H ILE A 141 13.657 -13.452 3.444 1.00 0.00 H new ATOM 0 HA ILE A 141 14.924 -11.324 4.808 1.00 0.00 H new ATOM 0 HB ILE A 141 12.118 -11.945 3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 141 12.617 -10.012 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 141 14.163 -9.780 3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 141 11.456 -9.659 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 141 11.885 -10.658 5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 141 13.033 -9.445 5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 141 14.438 -11.084 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 141 14.870 -12.075 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 141 13.301 -12.310 1.670 1.00 0.00 H new ATOM 265 N THR A 142 12.804 -13.151 6.560 1.00 0.00 N ATOM 266 CA THR A 142 12.373 -13.456 7.919 1.00 0.00 C ATOM 267 C THR A 142 13.568 -13.836 8.789 1.00 0.00 C ATOM 268 O THR A 142 13.549 -13.648 10.004 1.00 0.00 O ATOM 269 CB THR A 142 11.364 -14.607 7.903 1.00 0.00 C ATOM 270 OG1 THR A 142 10.129 -14.145 7.374 1.00 0.00 O ATOM 271 CG2 THR A 142 11.151 -15.122 9.327 1.00 0.00 C ATOM 0 H THR A 142 12.405 -13.756 5.842 1.00 0.00 H new ATOM 0 HA THR A 142 11.902 -12.567 8.337 1.00 0.00 H new ATOM 0 HB THR A 142 11.746 -15.416 7.281 1.00 0.00 H new ATOM 0 HG1 THR A 142 9.483 -14.881 7.362 1.00 0.00 H new ATOM 0 HG21 THR A 142 10.432 -15.941 9.314 1.00 0.00 H new ATOM 0 HG22 THR A 142 12.099 -15.477 9.731 1.00 0.00 H new ATOM 0 HG23 THR A 142 10.770 -14.315 9.953 1.00 0.00 H new ATOM 279 N SER A 143 14.607 -14.373 8.154 1.00 0.00 N ATOM 280 CA SER A 143 15.805 -14.776 8.879 1.00 0.00 C ATOM 281 C SER A 143 15.559 -16.076 9.641 1.00 0.00 C ATOM 282 O SER A 143 14.495 -16.271 10.226 1.00 0.00 O ATOM 283 CB SER A 143 16.216 -13.679 9.861 1.00 0.00 C ATOM 284 OG SER A 143 17.632 -13.660 9.979 1.00 0.00 O ATOM 0 H SER A 143 14.642 -14.537 7.148 1.00 0.00 H new ATOM 0 HA SER A 143 16.606 -14.936 8.157 1.00 0.00 H new ATOM 0 HB2 SER A 143 15.856 -12.711 9.514 1.00 0.00 H new ATOM 0 HB3 SER A 143 15.761 -13.858 10.835 1.00 0.00 H new ATOM 0 HG SER A 143 17.899 -12.956 10.607 1.00 0.00 H new ATOM 290 N THR A 144 16.551 -16.960 9.627 1.00 0.00 N ATOM 291 CA THR A 144 16.432 -18.238 10.319 1.00 0.00 C ATOM 292 C THR A 144 17.755 -18.617 10.978 1.00 0.00 C ATOM 293 O THR A 144 17.790 -19.434 11.896 1.00 0.00 O ATOM 294 CB THR A 144 16.019 -19.331 9.333 1.00 0.00 C ATOM 295 OG1 THR A 144 17.174 -19.835 8.676 1.00 0.00 O ATOM 296 CG2 THR A 144 15.054 -18.749 8.297 1.00 0.00 C ATOM 0 H THR A 144 17.440 -16.817 9.148 1.00 0.00 H new ATOM 0 HA THR A 144 15.669 -18.140 11.092 1.00 0.00 H new ATOM 0 HB THR A 144 15.525 -20.139 9.872 1.00 0.00 H new ATOM 0 HG1 THR A 144 16.911 -20.537 8.045 1.00 0.00 H new ATOM 0 HG21 THR A 144 14.760 -19.529 7.595 1.00 0.00 H new ATOM 0 HG22 THR A 144 14.168 -18.363 8.801 1.00 0.00 H new ATOM 0 HG23 THR A 144 15.545 -17.940 7.756 1.00 0.00 H new ATOM 304 N ASP A 145 18.839 -18.016 10.501 1.00 0.00 N ATOM 305 CA ASP A 145 20.160 -18.299 11.051 1.00 0.00 C ATOM 306 C ASP A 145 20.973 -17.012 11.177 1.00 0.00 C ATOM 307 O ASP A 145 20.644 -15.998 10.559 1.00 0.00 O ATOM 308 CB ASP A 145 20.899 -19.287 10.145 1.00 0.00 C ATOM 309 CG ASP A 145 20.072 -19.570 8.897 1.00 0.00 C ATOM 310 OD1 ASP A 145 19.831 -18.640 8.146 1.00 0.00 O ATOM 311 OD2 ASP A 145 19.689 -20.713 8.711 1.00 0.00 O1- ATOM 0 H ASP A 145 18.831 -17.335 9.741 1.00 0.00 H new ATOM 0 HA ASP A 145 20.038 -18.736 12.042 1.00 0.00 H new ATOM 0 HB2 ASP A 145 21.869 -18.878 9.863 1.00 0.00 H new ATOM 0 HB3 ASP A 145 21.088 -20.215 10.684 1.00 0.00 H new ATOM 316 N PRO A 146 22.021 -17.034 11.958 1.00 0.00 N ATOM 317 CA PRO A 146 22.896 -15.841 12.164 1.00 0.00 C ATOM 318 C PRO A 146 23.704 -15.501 10.916 1.00 0.00 C ATOM 319 O PRO A 146 23.744 -16.275 9.959 1.00 0.00 O ATOM 320 CB PRO A 146 23.817 -16.254 13.315 1.00 0.00 C ATOM 321 CG PRO A 146 23.839 -17.746 13.292 1.00 0.00 C ATOM 322 CD PRO A 146 22.490 -18.196 12.733 1.00 0.00 C ATOM 0 HA PRO A 146 22.317 -14.943 12.381 1.00 0.00 H new ATOM 0 HB2 PRO A 146 24.818 -15.845 13.183 1.00 0.00 H new ATOM 0 HB3 PRO A 146 23.444 -15.882 14.269 1.00 0.00 H new ATOM 0 HG2 PRO A 146 24.657 -18.112 12.671 1.00 0.00 H new ATOM 0 HG3 PRO A 146 23.996 -18.146 14.294 1.00 0.00 H new ATOM 0 HD2 PRO A 146 22.593 -19.080 12.104 1.00 0.00 H new ATOM 0 HD3 PRO A 146 21.793 -18.452 13.531 1.00 0.00 H new ATOM 330 N VAL A 147 24.348 -14.338 10.932 1.00 0.00 N ATOM 331 CA VAL A 147 25.153 -13.905 9.796 1.00 0.00 C ATOM 332 C VAL A 147 26.619 -14.268 10.009 1.00 0.00 C ATOM 333 O VAL A 147 27.268 -13.757 10.922 1.00 0.00 O ATOM 334 CB VAL A 147 25.020 -12.393 9.608 1.00 0.00 C ATOM 335 CG1 VAL A 147 25.559 -11.675 10.847 1.00 0.00 C ATOM 336 CG2 VAL A 147 25.825 -11.961 8.379 1.00 0.00 C ATOM 0 H VAL A 147 24.328 -13.683 11.713 1.00 0.00 H new ATOM 0 HA VAL A 147 24.791 -14.414 8.903 1.00 0.00 H new ATOM 0 HB VAL A 147 23.970 -12.135 9.466 1.00 0.00 H new ATOM 0 HG11 VAL A 147 25.464 -10.597 10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 147 24.989 -11.983 11.723 1.00 0.00 H new ATOM 0 HG13 VAL A 147 26.609 -11.932 10.989 1.00 0.00 H new ATOM 0 HG21 VAL A 147 25.732 -10.884 8.243 1.00 0.00 H new ATOM 0 HG22 VAL A 147 26.874 -12.219 8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 147 25.443 -12.473 7.496 1.00 0.00 H new ATOM 346 N LEU A 148 27.135 -15.150 9.160 1.00 0.00 N ATOM 347 CA LEU A 148 28.526 -15.572 9.265 1.00 0.00 C ATOM 348 C LEU A 148 29.463 -14.428 8.895 1.00 0.00 C ATOM 349 O LEU A 148 30.639 -14.433 9.260 1.00 0.00 O ATOM 350 CB LEU A 148 28.782 -16.764 8.339 1.00 0.00 C ATOM 351 CG LEU A 148 28.412 -18.060 9.062 1.00 0.00 C ATOM 352 CD1 LEU A 148 26.948 -18.001 9.501 1.00 0.00 C ATOM 353 CD2 LEU A 148 28.611 -19.246 8.115 1.00 0.00 C ATOM 0 H LEU A 148 26.615 -15.584 8.397 1.00 0.00 H new ATOM 0 HA LEU A 148 28.720 -15.865 10.297 1.00 0.00 H new ATOM 0 HB2 LEU A 148 28.193 -16.663 7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 148 29.830 -16.788 8.041 1.00 0.00 H new ATOM 0 HG LEU A 148 29.049 -18.181 9.938 1.00 0.00 H new ATOM 0 HD11 LEU A 148 26.685 -18.925 10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 148 26.804 -17.156 10.175 1.00 0.00 H new ATOM 0 HD13 LEU A 148 26.310 -17.880 8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 148 28.348 -20.170 8.629 1.00 0.00 H new ATOM 0 HD22 LEU A 148 27.973 -19.123 7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 148 29.654 -19.290 7.801 1.00 0.00 H new ATOM 365 N SER A 149 28.935 -13.450 8.166 1.00 0.00 N ATOM 366 CA SER A 149 29.735 -12.302 7.752 1.00 0.00 C ATOM 367 C SER A 149 30.359 -11.618 8.964 1.00 0.00 C ATOM 368 O SER A 149 31.361 -10.914 8.844 1.00 0.00 O ATOM 369 CB SER A 149 28.861 -11.304 6.994 1.00 0.00 C ATOM 370 OG SER A 149 28.380 -10.320 7.900 1.00 0.00 O ATOM 0 H SER A 149 27.965 -13.428 7.852 1.00 0.00 H new ATOM 0 HA SER A 149 30.533 -12.655 7.099 1.00 0.00 H new ATOM 0 HB2 SER A 149 29.435 -10.832 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 149 28.025 -11.820 6.522 1.00 0.00 H new ATOM 0 HG SER A 149 27.820 -9.677 7.417 1.00 0.00 H new ATOM 376 N ALA A 150 29.760 -11.832 10.132 1.00 0.00 N ATOM 377 CA ALA A 150 30.266 -11.230 11.360 1.00 0.00 C ATOM 378 C ALA A 150 31.638 -11.799 11.710 1.00 0.00 C ATOM 379 O ALA A 150 32.503 -11.088 12.220 1.00 0.00 O ATOM 380 CB ALA A 150 29.293 -11.492 12.510 1.00 0.00 C ATOM 0 H ALA A 150 28.930 -12.413 10.253 1.00 0.00 H new ATOM 0 HA ALA A 150 30.361 -10.155 11.204 1.00 0.00 H new ATOM 0 HB1 ALA A 150 29.679 -11.039 13.423 1.00 0.00 H new ATOM 0 HB2 ALA A 150 28.322 -11.058 12.271 1.00 0.00 H new ATOM 0 HB3 ALA A 150 29.183 -12.567 12.656 1.00 0.00 H new ATOM 386 N LEU A 151 31.827 -13.084 11.433 1.00 0.00 N ATOM 387 CA LEU A 151 33.097 -13.741 11.724 1.00 0.00 C ATOM 388 C LEU A 151 34.189 -13.228 10.790 1.00 0.00 C ATOM 389 O LEU A 151 35.345 -13.089 11.189 1.00 0.00 O ATOM 390 CB LEU A 151 32.953 -15.255 11.562 1.00 0.00 C ATOM 391 CG LEU A 151 31.699 -15.729 12.298 1.00 0.00 C ATOM 392 CD1 LEU A 151 31.563 -17.246 12.150 1.00 0.00 C ATOM 393 CD2 LEU A 151 31.816 -15.372 13.782 1.00 0.00 C ATOM 0 H LEU A 151 31.123 -13.689 11.010 1.00 0.00 H new ATOM 0 HA LEU A 151 33.376 -13.513 12.753 1.00 0.00 H new ATOM 0 HB2 LEU A 151 32.887 -15.514 10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 151 33.834 -15.760 11.960 1.00 0.00 H new ATOM 0 HG LEU A 151 30.822 -15.242 11.873 1.00 0.00 H new ATOM 0 HD11 LEU A 151 30.669 -17.584 12.675 1.00 0.00 H new ATOM 0 HD12 LEU A 151 31.483 -17.503 11.094 1.00 0.00 H new ATOM 0 HD13 LEU A 151 32.440 -17.733 12.576 1.00 0.00 H new ATOM 0 HD21 LEU A 151 30.923 -15.709 14.309 1.00 0.00 H new ATOM 0 HD22 LEU A 151 32.693 -15.861 14.206 1.00 0.00 H new ATOM 0 HD23 LEU A 151 31.915 -14.292 13.890 1.00 0.00 H new ATOM 405 N ILE A 152 33.815 -12.951 9.545 1.00 0.00 N ATOM 406 CA ILE A 152 34.772 -12.455 8.562 1.00 0.00 C ATOM 407 C ILE A 152 35.173 -11.019 8.882 1.00 0.00 C ATOM 408 O ILE A 152 36.358 -10.693 8.941 1.00 0.00 O ATOM 409 CB ILE A 152 34.160 -12.518 7.161 1.00 0.00 C ATOM 410 CG1 ILE A 152 33.465 -13.868 6.969 1.00 0.00 C ATOM 411 CG2 ILE A 152 35.266 -12.360 6.115 1.00 0.00 C ATOM 412 CD1 ILE A 152 33.018 -14.008 5.513 1.00 0.00 C ATOM 0 H ILE A 152 32.863 -13.060 9.194 1.00 0.00 H new ATOM 0 HA ILE A 152 35.662 -13.084 8.598 1.00 0.00 H new ATOM 0 HB ILE A 152 33.432 -11.715 7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 152 34.144 -14.679 7.232 1.00 0.00 H new ATOM 0 HG13 ILE A 152 32.605 -13.944 7.634 1.00 0.00 H new ATOM 0 HG21 ILE A 152 34.831 -12.405 5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 152 35.762 -11.399 6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 152 35.993 -13.164 6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 152 32.523 -14.969 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 152 32.325 -13.204 5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 152 33.888 -13.951 4.858 1.00 0.00 H new ATOM 424 N VAL A 153 34.176 -10.163 9.086 1.00 0.00 N ATOM 425 CA VAL A 153 34.436 -8.763 9.399 1.00 0.00 C ATOM 426 C VAL A 153 34.529 -8.560 10.908 1.00 0.00 C ATOM 427 O VAL A 153 33.690 -9.052 11.662 1.00 0.00 O ATOM 428 CB VAL A 153 33.321 -7.885 8.831 1.00 0.00 C ATOM 429 CG1 VAL A 153 33.620 -6.417 9.137 1.00 0.00 C ATOM 430 CG2 VAL A 153 33.240 -8.083 7.316 1.00 0.00 C ATOM 0 H VAL A 153 33.188 -10.412 9.041 1.00 0.00 H new ATOM 0 HA VAL A 153 35.386 -8.479 8.947 1.00 0.00 H new ATOM 0 HB VAL A 153 32.371 -8.164 9.287 1.00 0.00 H new ATOM 0 HG11 VAL A 153 32.825 -5.792 8.732 1.00 0.00 H new ATOM 0 HG12 VAL A 153 33.679 -6.275 10.216 1.00 0.00 H new ATOM 0 HG13 VAL A 153 34.570 -6.137 8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 153 32.445 -7.458 6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 153 34.190 -7.804 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 153 33.027 -9.129 7.097 1.00 0.00 H new ATOM 440 N GLY A 154 35.552 -7.830 11.340 1.00 0.00 N ATOM 441 CA GLY A 154 35.743 -7.567 12.762 1.00 0.00 C ATOM 442 C GLY A 154 36.853 -6.546 12.982 1.00 0.00 C ATOM 443 O GLY A 154 38.037 -6.871 12.890 1.00 0.00 O ATOM 0 H GLY A 154 36.256 -7.413 10.732 1.00 0.00 H new ATOM 0 HA2 GLY A 154 34.813 -7.199 13.196 1.00 0.00 H new ATOM 0 HA3 GLY A 154 35.990 -8.495 13.278 1.00 0.00 H new TER 447 GLY A 154