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= -1.85! C(o=-1.8!,f=-4.1!) USER MOD Single : A 130 ASN : amide:sc= 0.298 X(o=0.3,f=0) 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 -110:sc= 0.825 USER MOD Single : A 143 SER OG : rot -67:sc= 0.668 USER MOD Single : A 144 THR OG1 : rot -97:sc= -0.0122 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 11.597 -27.842 -12.775 1.00 0.00 N ATOM 2 CA LEU A 125 12.592 -26.839 -13.134 1.00 0.00 C ATOM 3 C LEU A 125 12.180 -25.465 -12.615 1.00 0.00 C ATOM 4 O LEU A 125 11.790 -25.320 -11.457 1.00 0.00 O ATOM 5 CB LEU A 125 12.755 -26.785 -14.654 1.00 0.00 C ATOM 6 CG LEU A 125 14.072 -26.091 -15.003 1.00 0.00 C ATOM 7 CD1 LEU A 125 15.159 -27.143 -15.228 1.00 0.00 C ATOM 8 CD2 LEU A 125 13.890 -25.265 -16.278 1.00 0.00 C ATOM 0 HA LEU A 125 13.542 -27.117 -12.677 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.743 -27.793 -15.067 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.919 -26.247 -15.101 1.00 0.00 H new ATOM 0 HG LEU A 125 14.366 -25.435 -14.183 1.00 0.00 H new ATOM 0 HD11 LEU A 125 16.098 -26.649 -15.477 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.289 -27.732 -14.320 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.866 -27.799 -16.048 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.828 -24.770 -16.528 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.596 -25.921 -17.098 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.115 -24.515 -16.118 1.00 0.00 H new ATOM 20 N PHE A 126 12.271 -24.460 -13.479 1.00 0.00 N ATOM 21 CA PHE A 126 11.905 -23.101 -13.098 1.00 0.00 C ATOM 22 C PHE A 126 11.135 -22.415 -14.224 1.00 0.00 C ATOM 23 O PHE A 126 11.571 -21.392 -14.752 1.00 0.00 O ATOM 24 CB PHE A 126 13.163 -22.294 -12.774 1.00 0.00 C ATOM 25 CG PHE A 126 13.768 -22.799 -11.484 1.00 0.00 C ATOM 26 CD1 PHE A 126 13.155 -22.498 -10.261 1.00 0.00 C ATOM 27 CD2 PHE A 126 14.937 -23.566 -11.513 1.00 0.00 C ATOM 28 CE1 PHE A 126 13.715 -22.966 -9.066 1.00 0.00 C ATOM 29 CE2 PHE A 126 15.497 -24.033 -10.317 1.00 0.00 C ATOM 30 CZ PHE A 126 14.886 -23.733 -9.093 1.00 0.00 C ATOM 0 H PHE A 126 12.593 -24.559 -14.442 1.00 0.00 H new ATOM 0 HA PHE A 126 11.267 -23.151 -12.216 1.00 0.00 H new ATOM 0 HB2 PHE A 126 13.885 -22.384 -13.586 1.00 0.00 H new ATOM 0 HB3 PHE A 126 12.916 -21.236 -12.683 1.00 0.00 H new ATOM 0 HD1 PHE A 126 12.252 -21.906 -10.240 1.00 0.00 H new ATOM 0 HD2 PHE A 126 15.408 -23.798 -12.457 1.00 0.00 H new ATOM 0 HE1 PHE A 126 13.243 -22.735 -8.122 1.00 0.00 H new ATOM 0 HE2 PHE A 126 16.400 -24.625 -10.339 1.00 0.00 H new ATOM 0 HZ PHE A 126 15.318 -24.093 -8.171 1.00 0.00 H new ATOM 40 N PRO A 127 10.007 -22.959 -14.594 1.00 0.00 N ATOM 41 CA PRO A 127 9.158 -22.392 -15.680 1.00 0.00 C ATOM 42 C PRO A 127 8.422 -21.130 -15.234 1.00 0.00 C ATOM 43 O PRO A 127 8.719 -20.565 -14.181 1.00 0.00 O ATOM 44 CB PRO A 127 8.173 -23.518 -15.993 1.00 0.00 C ATOM 45 CG PRO A 127 8.078 -24.323 -14.740 1.00 0.00 C ATOM 46 CD PRO A 127 9.418 -24.178 -14.016 1.00 0.00 C ATOM 0 HA PRO A 127 9.747 -22.084 -16.544 1.00 0.00 H new ATOM 0 HB2 PRO A 127 7.199 -23.120 -16.279 1.00 0.00 H new ATOM 0 HB3 PRO A 127 8.525 -24.127 -16.825 1.00 0.00 H new ATOM 0 HG2 PRO A 127 7.260 -23.967 -14.113 1.00 0.00 H new ATOM 0 HG3 PRO A 127 7.873 -25.369 -14.968 1.00 0.00 H new ATOM 0 HD2 PRO A 127 9.281 -24.083 -12.939 1.00 0.00 H new ATOM 0 HD3 PRO A 127 10.056 -25.046 -14.181 1.00 0.00 H new ATOM 54 N GLN A 128 7.460 -20.696 -16.043 1.00 0.00 N ATOM 55 CA GLN A 128 6.688 -19.501 -15.722 1.00 0.00 C ATOM 56 C GLN A 128 6.326 -19.479 -14.239 1.00 0.00 C ATOM 57 O GLN A 128 6.106 -18.416 -13.661 1.00 0.00 O ATOM 58 CB GLN A 128 5.410 -19.463 -16.561 1.00 0.00 C ATOM 59 CG GLN A 128 5.750 -19.027 -17.989 1.00 0.00 C ATOM 60 CD GLN A 128 6.892 -19.875 -18.535 1.00 0.00 C ATOM 61 OE1 GLN A 128 6.746 -21.087 -18.692 1.00 0.00 O ATOM 62 NE2 GLN A 128 8.028 -19.307 -18.836 1.00 0.00 N ATOM 0 H GLN A 128 7.198 -21.150 -16.918 1.00 0.00 H new ATOM 0 HA GLN A 128 7.297 -18.626 -15.949 1.00 0.00 H new ATOM 0 HB2 GLN A 128 4.940 -20.446 -16.572 1.00 0.00 H new ATOM 0 HB3 GLN A 128 4.693 -18.771 -16.119 1.00 0.00 H new ATOM 0 HG2 GLN A 128 4.873 -19.129 -18.628 1.00 0.00 H new ATOM 0 HG3 GLN A 128 6.031 -17.974 -17.999 1.00 0.00 H new ATOM 0 HE21 GLN A 128 8.146 -18.302 -18.705 1.00 0.00 H new ATOM 0 HE22 GLN A 128 8.797 -19.868 -19.202 1.00 0.00 H new ATOM 71 N ILE A 129 6.266 -20.660 -13.632 1.00 0.00 N ATOM 72 CA ILE A 129 5.930 -20.764 -12.217 1.00 0.00 C ATOM 73 C ILE A 129 7.108 -20.324 -11.353 1.00 0.00 C ATOM 74 O ILE A 129 7.400 -20.939 -10.328 1.00 0.00 O ATOM 75 CB ILE A 129 5.554 -22.207 -11.875 1.00 0.00 C ATOM 76 CG1 ILE A 129 4.545 -22.726 -12.902 1.00 0.00 C ATOM 77 CG2 ILE A 129 4.930 -22.255 -10.480 1.00 0.00 C ATOM 78 CD1 ILE A 129 4.120 -24.147 -12.526 1.00 0.00 C ATOM 0 H ILE A 129 6.444 -21.552 -14.094 1.00 0.00 H new ATOM 0 HA ILE A 129 5.082 -20.110 -12.015 1.00 0.00 H new ATOM 0 HB ILE A 129 6.448 -22.830 -11.894 1.00 0.00 H new ATOM 0 HG12 ILE A 129 3.674 -22.071 -12.935 1.00 0.00 H new ATOM 0 HG13 ILE A 129 4.987 -22.719 -13.898 1.00 0.00 H new ATOM 0 HG21 ILE A 129 4.662 -23.283 -10.236 1.00 0.00 H new ATOM 0 HG22 ILE A 129 5.647 -21.884 -9.748 1.00 0.00 H new ATOM 0 HG23 ILE A 129 4.035 -21.633 -10.460 1.00 0.00 H new ATOM 0 HD11 ILE A 129 3.401 -24.517 -13.257 1.00 0.00 H new ATOM 0 HD12 ILE A 129 4.995 -24.797 -12.515 1.00 0.00 H new ATOM 0 HD13 ILE A 129 3.661 -24.140 -11.537 1.00 0.00 H new ATOM 90 N ASN A 130 7.778 -19.256 -11.774 1.00 0.00 N ATOM 91 CA ASN A 130 8.922 -18.743 -11.030 1.00 0.00 C ATOM 92 C ASN A 130 8.473 -18.154 -9.697 1.00 0.00 C ATOM 93 O ASN A 130 9.273 -18.004 -8.772 1.00 0.00 O ATOM 94 CB ASN A 130 9.640 -17.670 -11.851 1.00 0.00 C ATOM 95 CG ASN A 130 10.996 -18.190 -12.318 1.00 0.00 C ATOM 96 OD1 ASN A 130 12.019 -17.900 -11.697 1.00 0.00 O ATOM 97 ND2 ASN A 130 11.064 -18.945 -13.378 1.00 0.00 N ATOM 0 H ASN A 130 7.551 -18.733 -12.620 1.00 0.00 H new ATOM 0 HA ASN A 130 9.607 -19.569 -10.836 1.00 0.00 H new ATOM 0 HB2 ASN A 130 9.032 -17.392 -12.712 1.00 0.00 H new ATOM 0 HB3 ASN A 130 9.774 -16.770 -11.251 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.967 -19.298 -13.696 1.00 0.00 H new ATOM 0 HD22 ASN A 130 10.214 -19.183 -13.890 1.00 0.00 H new ATOM 104 N PHE A 131 7.190 -17.818 -9.606 1.00 0.00 N ATOM 105 CA PHE A 131 6.646 -17.244 -8.381 1.00 0.00 C ATOM 106 C PHE A 131 6.803 -18.218 -7.217 1.00 0.00 C ATOM 107 O PHE A 131 7.010 -17.808 -6.074 1.00 0.00 O ATOM 108 CB PHE A 131 5.166 -16.909 -8.573 1.00 0.00 C ATOM 109 CG PHE A 131 5.029 -15.475 -9.027 1.00 0.00 C ATOM 110 CD1 PHE A 131 5.310 -15.131 -10.355 1.00 0.00 C ATOM 111 CD2 PHE A 131 4.621 -14.490 -8.120 1.00 0.00 C ATOM 112 CE1 PHE A 131 5.184 -13.802 -10.776 1.00 0.00 C ATOM 113 CE2 PHE A 131 4.495 -13.161 -8.541 1.00 0.00 C ATOM 114 CZ PHE A 131 4.775 -12.817 -9.868 1.00 0.00 C ATOM 0 H PHE A 131 6.512 -17.932 -10.360 1.00 0.00 H new ATOM 0 HA PHE A 131 7.198 -16.332 -8.153 1.00 0.00 H new ATOM 0 HB2 PHE A 131 4.723 -17.579 -9.310 1.00 0.00 H new ATOM 0 HB3 PHE A 131 4.624 -17.059 -7.639 1.00 0.00 H new ATOM 0 HD1 PHE A 131 5.624 -15.891 -11.055 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.404 -14.755 -7.096 1.00 0.00 H new ATOM 0 HE1 PHE A 131 5.402 -13.536 -11.800 1.00 0.00 H new ATOM 0 HE2 PHE A 131 4.181 -12.401 -7.841 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.676 -11.792 -10.192 1.00 0.00 H new ATOM 124 N LEU A 132 6.701 -19.509 -7.515 1.00 0.00 N ATOM 125 CA LEU A 132 6.831 -20.534 -6.485 1.00 0.00 C ATOM 126 C LEU A 132 8.221 -20.486 -5.856 1.00 0.00 C ATOM 127 O LEU A 132 8.365 -20.605 -4.641 1.00 0.00 O ATOM 128 CB LEU A 132 6.592 -21.918 -7.092 1.00 0.00 C ATOM 129 CG LEU A 132 5.311 -22.518 -6.509 1.00 0.00 C ATOM 130 CD1 LEU A 132 4.977 -23.819 -7.239 1.00 0.00 C ATOM 131 CD2 LEU A 132 5.519 -22.810 -5.021 1.00 0.00 C ATOM 0 H LEU A 132 6.530 -19.869 -8.454 1.00 0.00 H new ATOM 0 HA LEU A 132 6.086 -20.343 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 132 6.510 -21.842 -8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 132 7.440 -22.570 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 132 4.490 -21.811 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.064 -24.246 -6.823 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.831 -23.614 -8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.797 -24.526 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.608 -23.238 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.340 -23.517 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.758 -21.884 -4.498 1.00 0.00 H new ATOM 143 N GLY A 133 9.238 -20.311 -6.693 1.00 0.00 N ATOM 144 CA GLY A 133 10.611 -20.248 -6.206 1.00 0.00 C ATOM 145 C GLY A 133 10.879 -18.925 -5.500 1.00 0.00 C ATOM 146 O GLY A 133 11.799 -18.818 -4.688 1.00 0.00 O ATOM 0 H GLY A 133 9.139 -20.211 -7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.796 -21.075 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.302 -20.366 -7.040 1.00 0.00 H new ATOM 150 N SER A 134 10.070 -17.918 -5.813 1.00 0.00 N ATOM 151 CA SER A 134 10.230 -16.604 -5.201 1.00 0.00 C ATOM 152 C SER A 134 9.910 -16.664 -3.711 1.00 0.00 C ATOM 153 O SER A 134 10.407 -15.857 -2.925 1.00 0.00 O ATOM 154 CB SER A 134 9.306 -15.594 -5.882 1.00 0.00 C ATOM 155 OG SER A 134 9.840 -14.287 -5.722 1.00 0.00 O ATOM 0 H SER A 134 9.303 -17.985 -6.482 1.00 0.00 H new ATOM 0 HA SER A 134 11.266 -16.290 -5.326 1.00 0.00 H new ATOM 0 HB2 SER A 134 9.206 -15.831 -6.941 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.307 -15.647 -5.448 1.00 0.00 H new ATOM 0 HG SER A 134 9.251 -13.637 -6.159 1.00 0.00 H new ATOM 161 N LEU A 135 9.075 -17.627 -3.328 1.00 0.00 N ATOM 162 CA LEU A 135 8.696 -17.783 -1.929 1.00 0.00 C ATOM 163 C LEU A 135 9.902 -18.193 -1.092 1.00 0.00 C ATOM 164 O LEU A 135 9.959 -17.920 0.108 1.00 0.00 O ATOM 165 CB LEU A 135 7.598 -18.845 -1.802 1.00 0.00 C ATOM 166 CG LEU A 135 6.232 -18.174 -1.624 1.00 0.00 C ATOM 167 CD1 LEU A 135 6.161 -17.475 -0.262 1.00 0.00 C ATOM 168 CD2 LEU A 135 6.018 -17.143 -2.736 1.00 0.00 C ATOM 0 H LEU A 135 8.652 -18.305 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 135 8.322 -16.827 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.588 -19.477 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.806 -19.494 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 135 5.454 -18.936 -1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.186 -17.002 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 135 6.305 -18.209 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 135 6.942 -16.717 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.046 -16.666 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 135 6.802 -16.387 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.054 -17.641 -3.705 1.00 0.00 H new ATOM 180 N LEU A 136 10.865 -18.849 -1.731 1.00 0.00 N ATOM 181 CA LEU A 136 12.067 -19.293 -1.034 1.00 0.00 C ATOM 182 C LEU A 136 12.868 -18.095 -0.532 1.00 0.00 C ATOM 183 O LEU A 136 13.281 -18.055 0.626 1.00 0.00 O ATOM 184 CB LEU A 136 12.935 -20.134 -1.972 1.00 0.00 C ATOM 185 CG LEU A 136 12.068 -21.188 -2.661 1.00 0.00 C ATOM 186 CD1 LEU A 136 12.937 -22.032 -3.596 1.00 0.00 C ATOM 187 CD2 LEU A 136 11.430 -22.093 -1.604 1.00 0.00 C ATOM 0 H LEU A 136 10.838 -19.084 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 136 11.766 -19.899 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 136 13.409 -19.495 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 136 13.735 -20.616 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 136 11.286 -20.694 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 136 12.319 -22.784 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 136 13.393 -21.389 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 136 13.719 -22.526 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 136 10.812 -22.845 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 136 12.212 -22.586 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 136 10.811 -21.493 -0.937 1.00 0.00 H new ATOM 199 N ILE A 137 13.083 -17.123 -1.413 1.00 0.00 N ATOM 200 CA ILE A 137 13.835 -15.928 -1.047 1.00 0.00 C ATOM 201 C ILE A 137 13.058 -15.092 -0.037 1.00 0.00 C ATOM 202 O ILE A 137 13.623 -14.593 0.936 1.00 0.00 O ATOM 203 CB ILE A 137 14.120 -15.090 -2.295 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.531 -16.013 -3.445 1.00 0.00 C ATOM 205 CG2 ILE A 137 15.256 -14.108 -2.001 1.00 0.00 C ATOM 206 CD1 ILE A 137 15.223 -15.194 -4.536 1.00 0.00 C ATOM 0 H ILE A 137 12.750 -17.138 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 137 14.776 -16.239 -0.594 1.00 0.00 H new ATOM 0 HB ILE A 137 13.223 -14.537 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 137 15.201 -16.791 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 137 13.654 -16.515 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 137 15.460 -13.511 -2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 137 14.966 -13.451 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.153 -14.662 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 137 15.515 -15.852 -5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 137 14.538 -14.433 -4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 137 16.110 -14.713 -4.123 1.00 0.00 H new ATOM 218 N ALA A 138 11.759 -14.944 -0.275 1.00 0.00 N ATOM 219 CA ALA A 138 10.912 -14.165 0.622 1.00 0.00 C ATOM 220 C ALA A 138 11.006 -14.701 2.047 1.00 0.00 C ATOM 221 O ALA A 138 10.728 -13.986 3.009 1.00 0.00 O ATOM 222 CB ALA A 138 9.459 -14.221 0.148 1.00 0.00 C ATOM 0 H ALA A 138 11.272 -15.349 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 138 11.257 -13.131 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 138 8.833 -13.637 0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 138 9.389 -13.810 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 138 9.118 -15.256 0.142 1.00 0.00 H new ATOM 228 N GLY A 139 11.396 -15.965 2.173 1.00 0.00 N ATOM 229 CA GLY A 139 11.522 -16.587 3.486 1.00 0.00 C ATOM 230 C GLY A 139 12.862 -16.242 4.126 1.00 0.00 C ATOM 231 O GLY A 139 12.988 -16.222 5.351 1.00 0.00 O ATOM 0 H GLY A 139 11.629 -16.575 1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 139 10.710 -16.252 4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 139 11.428 -17.669 3.391 1.00 0.00 H new ATOM 235 N CYS A 140 13.859 -15.970 3.291 1.00 0.00 N ATOM 236 CA CYS A 140 15.186 -15.627 3.787 1.00 0.00 C ATOM 237 C CYS A 140 15.151 -14.298 4.536 1.00 0.00 C ATOM 238 O CYS A 140 16.015 -14.020 5.367 1.00 0.00 O ATOM 239 CB CYS A 140 16.172 -15.532 2.621 1.00 0.00 C ATOM 240 SG CYS A 140 17.504 -16.733 2.859 1.00 0.00 S ATOM 0 H CYS A 140 13.774 -15.980 2.275 1.00 0.00 H new ATOM 0 HA CYS A 140 15.510 -16.410 4.473 1.00 0.00 H new ATOM 0 HB2 CYS A 140 15.658 -15.725 1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 140 16.583 -14.524 2.559 1.00 0.00 H new ATOM 0 HG CYS A 140 18.341 -16.655 1.868 1.00 0.00 H new ATOM 246 N ILE A 141 14.147 -13.481 4.232 1.00 0.00 N ATOM 247 CA ILE A 141 14.011 -12.182 4.882 1.00 0.00 C ATOM 248 C ILE A 141 13.759 -12.356 6.377 1.00 0.00 C ATOM 249 O ILE A 141 14.021 -11.451 7.170 1.00 0.00 O ATOM 250 CB ILE A 141 12.853 -11.404 4.256 1.00 0.00 C ATOM 251 CG1 ILE A 141 12.904 -11.547 2.731 1.00 0.00 C ATOM 252 CG2 ILE A 141 12.966 -9.926 4.633 1.00 0.00 C ATOM 253 CD1 ILE A 141 14.319 -11.245 2.233 1.00 0.00 C ATOM 0 H ILE A 141 13.422 -13.692 3.546 1.00 0.00 H new ATOM 0 HA ILE A 141 14.939 -11.627 4.742 1.00 0.00 H new ATOM 0 HB ILE A 141 11.908 -11.802 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 141 12.613 -12.557 2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 141 12.191 -10.865 2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 141 12.140 -9.372 4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 141 12.927 -9.823 5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 141 13.911 -9.528 4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 141 14.353 -11.347 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 141 14.593 -10.227 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 141 15.021 -11.945 2.685 1.00 0.00 H new ATOM 265 N THR A 142 13.249 -13.524 6.754 1.00 0.00 N ATOM 266 CA THR A 142 12.966 -13.805 8.157 1.00 0.00 C ATOM 267 C THR A 142 14.244 -13.736 8.986 1.00 0.00 C ATOM 268 O THR A 142 14.199 -13.520 10.197 1.00 0.00 O ATOM 269 CB THR A 142 12.340 -15.195 8.295 1.00 0.00 C ATOM 270 OG1 THR A 142 13.220 -16.165 7.745 1.00 0.00 O ATOM 271 CG2 THR A 142 11.006 -15.232 7.548 1.00 0.00 C ATOM 0 H THR A 142 13.025 -14.286 6.114 1.00 0.00 H new ATOM 0 HA THR A 142 12.267 -13.054 8.525 1.00 0.00 H new ATOM 0 HB THR A 142 12.170 -15.414 9.349 1.00 0.00 H new ATOM 0 HG1 THR A 142 12.838 -16.520 6.915 1.00 0.00 H new ATOM 0 HG21 THR A 142 10.561 -16.222 7.647 1.00 0.00 H new ATOM 0 HG22 THR A 142 10.332 -14.487 7.971 1.00 0.00 H new ATOM 0 HG23 THR A 142 11.173 -15.013 6.493 1.00 0.00 H new ATOM 279 N SER A 143 15.383 -13.919 8.326 1.00 0.00 N ATOM 280 CA SER A 143 16.668 -13.876 9.012 1.00 0.00 C ATOM 281 C SER A 143 17.028 -12.441 9.383 1.00 0.00 C ATOM 282 O SER A 143 18.115 -11.961 9.059 1.00 0.00 O ATOM 283 CB SER A 143 17.760 -14.462 8.115 1.00 0.00 C ATOM 284 OG SER A 143 19.001 -14.435 8.808 1.00 0.00 O ATOM 0 H SER A 143 15.442 -14.097 7.323 1.00 0.00 H new ATOM 0 HA SER A 143 16.592 -14.468 9.924 1.00 0.00 H new ATOM 0 HB2 SER A 143 17.508 -15.485 7.837 1.00 0.00 H new ATOM 0 HB3 SER A 143 17.834 -13.889 7.191 1.00 0.00 H new ATOM 0 HG SER A 143 19.282 -13.505 8.939 1.00 0.00 H new ATOM 290 N THR A 144 16.112 -11.764 10.066 1.00 0.00 N ATOM 291 CA THR A 144 16.344 -10.384 10.477 1.00 0.00 C ATOM 292 C THR A 144 16.813 -10.328 11.926 1.00 0.00 C ATOM 293 O THR A 144 17.785 -9.645 12.248 1.00 0.00 O ATOM 294 CB THR A 144 15.057 -9.569 10.323 1.00 0.00 C ATOM 295 OG1 THR A 144 15.003 -8.577 11.337 1.00 0.00 O ATOM 296 CG2 THR A 144 13.847 -10.495 10.447 1.00 0.00 C ATOM 0 H THR A 144 15.208 -12.145 10.345 1.00 0.00 H new ATOM 0 HA THR A 144 17.120 -9.961 9.839 1.00 0.00 H new ATOM 0 HB THR A 144 15.045 -9.089 9.344 1.00 0.00 H new ATOM 0 HG1 THR A 144 14.447 -8.897 12.078 1.00 0.00 H new ATOM 0 HG21 THR A 144 12.931 -9.914 10.337 1.00 0.00 H new ATOM 0 HG22 THR A 144 13.890 -11.256 9.668 1.00 0.00 H new ATOM 0 HG23 THR A 144 13.856 -10.977 11.425 1.00 0.00 H new ATOM 304 N ASP A 145 16.118 -11.052 12.798 1.00 0.00 N ATOM 305 CA ASP A 145 16.472 -11.076 14.211 1.00 0.00 C ATOM 306 C ASP A 145 16.210 -12.457 14.805 1.00 0.00 C ATOM 307 O ASP A 145 15.327 -12.625 15.647 1.00 0.00 O ATOM 308 CB ASP A 145 15.659 -10.028 14.973 1.00 0.00 C ATOM 309 CG ASP A 145 15.600 -8.731 14.171 1.00 0.00 C ATOM 310 OD1 ASP A 145 16.653 -8.220 13.830 1.00 0.00 O ATOM 311 OD2 ASP A 145 14.501 -8.271 13.909 1.00 0.00 O1- ATOM 0 H ASP A 145 15.312 -11.626 12.552 1.00 0.00 H new ATOM 0 HA ASP A 145 17.534 -10.848 14.304 1.00 0.00 H new ATOM 0 HB2 ASP A 145 14.650 -10.399 15.155 1.00 0.00 H new ATOM 0 HB3 ASP A 145 16.111 -9.843 15.947 1.00 0.00 H new ATOM 316 N PRO A 146 16.958 -13.437 14.379 1.00 0.00 N ATOM 317 CA PRO A 146 16.814 -14.836 14.872 1.00 0.00 C ATOM 318 C PRO A 146 16.739 -14.906 16.396 1.00 0.00 C ATOM 319 O PRO A 146 16.799 -13.882 17.076 1.00 0.00 O ATOM 320 CB PRO A 146 18.071 -15.537 14.355 1.00 0.00 C ATOM 321 CG PRO A 146 18.498 -14.754 13.157 1.00 0.00 C ATOM 322 CD PRO A 146 18.029 -13.315 13.380 1.00 0.00 C ATOM 0 HA PRO A 146 15.890 -15.298 14.523 1.00 0.00 H new ATOM 0 HB2 PRO A 146 18.853 -15.551 15.114 1.00 0.00 H new ATOM 0 HB3 PRO A 146 17.863 -16.574 14.093 1.00 0.00 H new ATOM 0 HG2 PRO A 146 19.580 -14.793 13.035 1.00 0.00 H new ATOM 0 HG3 PRO A 146 18.060 -15.167 12.249 1.00 0.00 H new ATOM 0 HD2 PRO A 146 18.840 -12.683 13.741 1.00 0.00 H new ATOM 0 HD3 PRO A 146 17.663 -12.867 12.456 1.00 0.00 H new ATOM 330 N VAL A 147 16.609 -16.119 16.922 1.00 0.00 N ATOM 331 CA VAL A 147 16.527 -16.309 18.367 1.00 0.00 C ATOM 332 C VAL A 147 17.806 -15.826 19.043 1.00 0.00 C ATOM 333 O VAL A 147 17.937 -15.895 20.265 1.00 0.00 O ATOM 334 CB VAL A 147 16.305 -17.787 18.686 1.00 0.00 C ATOM 335 CG1 VAL A 147 15.347 -17.915 19.874 1.00 0.00 C ATOM 336 CG2 VAL A 147 15.699 -18.486 17.467 1.00 0.00 C ATOM 0 H VAL A 147 16.558 -16.979 16.376 1.00 0.00 H new ATOM 0 HA VAL A 147 15.687 -15.726 18.746 1.00 0.00 H new ATOM 0 HB VAL A 147 17.259 -18.252 18.936 1.00 0.00 H new ATOM 0 HG11 VAL A 147 15.189 -18.969 20.102 1.00 0.00 H new ATOM 0 HG12 VAL A 147 15.776 -17.417 20.743 1.00 0.00 H new ATOM 0 HG13 VAL A 147 14.393 -17.450 19.624 1.00 0.00 H new ATOM 0 HG21 VAL A 147 15.540 -19.540 17.694 1.00 0.00 H new ATOM 0 HG22 VAL A 147 14.745 -18.021 17.218 1.00 0.00 H new ATOM 0 HG23 VAL A 147 16.379 -18.395 16.620 1.00 0.00 H new ATOM 346 N LEU A 148 18.746 -15.338 18.241 1.00 0.00 N ATOM 347 CA LEU A 148 20.012 -14.846 18.775 1.00 0.00 C ATOM 348 C LEU A 148 19.792 -13.562 19.568 1.00 0.00 C ATOM 349 O LEU A 148 20.256 -13.434 20.700 1.00 0.00 O ATOM 350 CB LEU A 148 20.993 -14.579 17.626 1.00 0.00 C ATOM 351 CG LEU A 148 22.345 -15.244 17.911 1.00 0.00 C ATOM 352 CD1 LEU A 148 22.882 -14.774 19.265 1.00 0.00 C ATOM 353 CD2 LEU A 148 22.177 -16.767 17.928 1.00 0.00 C ATOM 0 H LEU A 148 18.658 -15.272 17.227 1.00 0.00 H new ATOM 0 HA LEU A 148 20.428 -15.604 19.439 1.00 0.00 H new ATOM 0 HB2 LEU A 148 20.582 -14.962 16.692 1.00 0.00 H new ATOM 0 HB3 LEU A 148 21.129 -13.505 17.498 1.00 0.00 H new ATOM 0 HG LEU A 148 23.051 -14.965 17.129 1.00 0.00 H new ATOM 0 HD11 LEU A 148 23.843 -15.251 19.461 1.00 0.00 H new ATOM 0 HD12 LEU A 148 23.010 -13.692 19.250 1.00 0.00 H new ATOM 0 HD13 LEU A 148 22.176 -15.045 20.050 1.00 0.00 H new ATOM 0 HD21 LEU A 148 23.139 -17.237 18.131 1.00 0.00 H new ATOM 0 HD22 LEU A 148 21.466 -17.046 18.706 1.00 0.00 H new ATOM 0 HD23 LEU A 148 21.806 -17.103 16.960 1.00 0.00 H new ATOM 365 N SER A 149 19.080 -12.615 18.967 1.00 0.00 N ATOM 366 CA SER A 149 18.803 -11.345 19.629 1.00 0.00 C ATOM 367 C SER A 149 18.119 -11.577 20.971 1.00 0.00 C ATOM 368 O SER A 149 18.126 -10.705 21.841 1.00 0.00 O ATOM 369 CB SER A 149 17.910 -10.479 18.740 1.00 0.00 C ATOM 370 OG SER A 149 16.878 -9.904 19.533 1.00 0.00 O ATOM 0 H SER A 149 18.687 -12.701 18.030 1.00 0.00 H new ATOM 0 HA SER A 149 19.749 -10.833 19.803 1.00 0.00 H new ATOM 0 HB2 SER A 149 18.500 -9.695 18.265 1.00 0.00 H new ATOM 0 HB3 SER A 149 17.478 -11.081 17.941 1.00 0.00 H new ATOM 0 HG SER A 149 16.304 -9.346 18.968 1.00 0.00 H new ATOM 376 N ALA A 150 17.530 -12.757 21.133 1.00 0.00 N ATOM 377 CA ALA A 150 16.845 -13.094 22.376 1.00 0.00 C ATOM 378 C ALA A 150 17.837 -13.184 23.529 1.00 0.00 C ATOM 379 O ALA A 150 17.471 -13.002 24.691 1.00 0.00 O ATOM 380 CB ALA A 150 16.112 -14.428 22.222 1.00 0.00 C ATOM 0 H ALA A 150 17.513 -13.491 20.425 1.00 0.00 H new ATOM 0 HA ALA A 150 16.124 -12.307 22.596 1.00 0.00 H new ATOM 0 HB1 ALA A 150 15.603 -14.673 23.154 1.00 0.00 H new ATOM 0 HB2 ALA A 150 15.380 -14.350 21.418 1.00 0.00 H new ATOM 0 HB3 ALA A 150 16.830 -15.212 21.984 1.00 0.00 H new ATOM 386 N LEU A 151 19.093 -13.466 23.201 1.00 0.00 N ATOM 387 CA LEU A 151 20.131 -13.579 24.221 1.00 0.00 C ATOM 388 C LEU A 151 20.448 -12.210 24.816 1.00 0.00 C ATOM 389 O LEU A 151 20.344 -12.011 26.026 1.00 0.00 O ATOM 390 CB LEU A 151 21.401 -14.176 23.609 1.00 0.00 C ATOM 391 CG LEU A 151 21.839 -15.390 24.430 1.00 0.00 C ATOM 392 CD1 LEU A 151 23.097 -15.999 23.808 1.00 0.00 C ATOM 393 CD2 LEU A 151 22.144 -14.951 25.865 1.00 0.00 C ATOM 0 H LEU A 151 19.416 -13.620 22.246 1.00 0.00 H new ATOM 0 HA LEU A 151 19.766 -14.233 25.013 1.00 0.00 H new ATOM 0 HB2 LEU A 151 21.217 -14.470 22.576 1.00 0.00 H new ATOM 0 HB3 LEU A 151 22.195 -13.429 23.591 1.00 0.00 H new ATOM 0 HG LEU A 151 21.040 -16.131 24.437 1.00 0.00 H new ATOM 0 HD11 LEU A 151 23.410 -16.864 24.393 1.00 0.00 H new ATOM 0 HD12 LEU A 151 22.883 -16.310 22.785 1.00 0.00 H new ATOM 0 HD13 LEU A 151 23.896 -15.257 23.802 1.00 0.00 H new ATOM 0 HD21 LEU A 151 22.456 -15.815 26.451 1.00 0.00 H new ATOM 0 HD22 LEU A 151 22.943 -14.210 25.857 1.00 0.00 H new ATOM 0 HD23 LEU A 151 21.250 -14.515 26.310 1.00 0.00 H new ATOM 405 N ILE A 152 20.834 -11.272 23.959 1.00 0.00 N ATOM 406 CA ILE A 152 21.164 -9.925 24.412 1.00 0.00 C ATOM 407 C ILE A 152 19.903 -9.176 24.835 1.00 0.00 C ATOM 408 O ILE A 152 19.730 -8.846 26.008 1.00 0.00 O ATOM 409 CB ILE A 152 21.865 -9.154 23.294 1.00 0.00 C ATOM 410 CG1 ILE A 152 22.896 -10.064 22.620 1.00 0.00 C ATOM 411 CG2 ILE A 152 22.573 -7.931 23.881 1.00 0.00 C ATOM 412 CD1 ILE A 152 23.750 -9.238 21.653 1.00 0.00 C ATOM 0 H ILE A 152 20.926 -11.417 22.954 1.00 0.00 H new ATOM 0 HA ILE A 152 21.830 -10.006 25.271 1.00 0.00 H new ATOM 0 HB ILE A 152 21.128 -8.828 22.560 1.00 0.00 H new ATOM 0 HG12 ILE A 152 23.530 -10.533 23.372 1.00 0.00 H new ATOM 0 HG13 ILE A 152 22.392 -10.867 22.082 1.00 0.00 H new ATOM 0 HG21 ILE A 152 23.073 -7.382 23.083 1.00 0.00 H new ATOM 0 HG22 ILE A 152 21.841 -7.284 24.364 1.00 0.00 H new ATOM 0 HG23 ILE A 152 23.311 -8.255 24.615 1.00 0.00 H new ATOM 0 HD11 ILE A 152 24.484 -9.885 21.173 1.00 0.00 H new ATOM 0 HD12 ILE A 152 23.109 -8.790 20.894 1.00 0.00 H new ATOM 0 HD13 ILE A 152 24.265 -8.451 22.204 1.00 0.00 H new ATOM 424 N VAL A 153 19.026 -8.913 23.871 1.00 0.00 N ATOM 425 CA VAL A 153 17.785 -8.201 24.155 1.00 0.00 C ATOM 426 C VAL A 153 18.075 -6.765 24.578 1.00 0.00 C ATOM 427 O VAL A 153 19.151 -6.466 25.097 1.00 0.00 O ATOM 428 CB VAL A 153 17.014 -8.915 25.266 1.00 0.00 C ATOM 429 CG1 VAL A 153 15.529 -8.563 25.165 1.00 0.00 C ATOM 430 CG2 VAL A 153 17.189 -10.428 25.116 1.00 0.00 C ATOM 0 H VAL A 153 19.150 -9.180 22.894 1.00 0.00 H new ATOM 0 HA VAL A 153 17.183 -8.186 23.247 1.00 0.00 H new ATOM 0 HB VAL A 153 17.398 -8.598 26.236 1.00 0.00 H new ATOM 0 HG11 VAL A 153 14.980 -9.072 25.957 1.00 0.00 H new ATOM 0 HG12 VAL A 153 15.402 -7.486 25.270 1.00 0.00 H new ATOM 0 HG13 VAL A 153 15.145 -8.880 24.195 1.00 0.00 H new ATOM 0 HG21 VAL A 153 16.640 -10.938 25.907 1.00 0.00 H new ATOM 0 HG22 VAL A 153 16.805 -10.744 24.146 1.00 0.00 H new ATOM 0 HG23 VAL A 153 18.247 -10.681 25.187 1.00 0.00 H new ATOM 440 N GLY A 154 17.109 -5.880 24.351 1.00 0.00 N ATOM 441 CA GLY A 154 17.273 -4.477 24.713 1.00 0.00 C ATOM 442 C GLY A 154 15.962 -3.715 24.547 1.00 0.00 C ATOM 443 O GLY A 154 14.986 -3.979 25.248 1.00 0.00 O ATOM 0 H GLY A 154 16.212 -6.107 23.922 1.00 0.00 H new ATOM 0 HA2 GLY A 154 17.614 -4.401 25.745 1.00 0.00 H new ATOM 0 HA3 GLY A 154 18.043 -4.024 24.089 1.00 0.00 H new TER 447 GLY A 154