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) USER MOD Single : A 130 ASN : amide:sc= -1.02! C(o=-1!,f=-3.4!) USER MOD Single : A 134 SER OG : rot -58:sc= 0.537 USER MOD Single : A 140 CYS SG : rot 80:sc= 0.211 USER MOD Single : A 142 THR OG1 : rot 72:sc= 0.434 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0.176! USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 7.655 -11.098 -19.736 1.00 0.00 N ATOM 2 CA LEU A 125 6.876 -11.529 -18.581 1.00 0.00 C ATOM 3 C LEU A 125 7.677 -12.510 -17.732 1.00 0.00 C ATOM 4 O LEU A 125 8.699 -13.036 -18.172 1.00 0.00 O ATOM 5 CB LEU A 125 5.577 -12.197 -19.047 1.00 0.00 C ATOM 6 CG LEU A 125 4.548 -11.127 -19.435 1.00 0.00 C ATOM 7 CD1 LEU A 125 4.058 -10.375 -18.190 1.00 0.00 C ATOM 8 CD2 LEU A 125 5.193 -10.133 -20.403 1.00 0.00 C ATOM 0 HA LEU A 125 6.639 -10.653 -17.978 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.778 -12.847 -19.899 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.177 -12.827 -18.253 1.00 0.00 H new ATOM 0 HG LEU A 125 3.697 -11.614 -19.910 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.329 -9.620 -18.484 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.593 -11.079 -17.499 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.904 -9.891 -17.701 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.465 -9.371 -20.681 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.048 -9.659 -19.921 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.526 -10.660 -21.297 1.00 0.00 H new ATOM 20 N PHE A 126 7.207 -12.751 -16.513 1.00 0.00 N ATOM 21 CA PHE A 126 7.889 -13.671 -15.609 1.00 0.00 C ATOM 22 C PHE A 126 7.264 -15.062 -15.694 1.00 0.00 C ATOM 23 O PHE A 126 6.147 -15.220 -16.185 1.00 0.00 O ATOM 24 CB PHE A 126 7.797 -13.152 -14.174 1.00 0.00 C ATOM 25 CG PHE A 126 6.922 -11.922 -14.136 1.00 0.00 C ATOM 26 CD1 PHE A 126 7.424 -10.692 -14.578 1.00 0.00 C ATOM 27 CD2 PHE A 126 5.609 -12.012 -13.660 1.00 0.00 C ATOM 28 CE1 PHE A 126 6.612 -9.551 -14.545 1.00 0.00 C ATOM 29 CE2 PHE A 126 4.797 -10.870 -13.626 1.00 0.00 C ATOM 30 CZ PHE A 126 5.300 -9.642 -14.069 1.00 0.00 C ATOM 0 H PHE A 126 6.363 -12.326 -16.130 1.00 0.00 H new ATOM 0 HA PHE A 126 8.936 -13.737 -15.904 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.386 -13.924 -13.523 1.00 0.00 H new ATOM 0 HB3 PHE A 126 8.792 -12.915 -13.798 1.00 0.00 H new ATOM 0 HD1 PHE A 126 8.438 -10.623 -14.944 1.00 0.00 H new ATOM 0 HD2 PHE A 126 5.222 -12.961 -13.319 1.00 0.00 H new ATOM 0 HE1 PHE A 126 6.999 -8.602 -14.887 1.00 0.00 H new ATOM 0 HE2 PHE A 126 3.784 -10.938 -13.258 1.00 0.00 H new ATOM 0 HZ PHE A 126 4.674 -8.762 -14.043 1.00 0.00 H new ATOM 40 N PRO A 127 7.961 -16.065 -15.225 1.00 0.00 N ATOM 41 CA PRO A 127 7.461 -17.472 -15.249 1.00 0.00 C ATOM 42 C PRO A 127 6.304 -17.685 -14.276 1.00 0.00 C ATOM 43 O PRO A 127 5.964 -16.796 -13.496 1.00 0.00 O ATOM 44 CB PRO A 127 8.678 -18.303 -14.840 1.00 0.00 C ATOM 45 CG PRO A 127 9.554 -17.372 -14.067 1.00 0.00 C ATOM 46 CD PRO A 127 9.300 -15.972 -14.622 1.00 0.00 C ATOM 0 HA PRO A 127 7.065 -17.747 -16.227 1.00 0.00 H new ATOM 0 HB2 PRO A 127 8.383 -19.159 -14.233 1.00 0.00 H new ATOM 0 HB3 PRO A 127 9.197 -18.696 -15.714 1.00 0.00 H new ATOM 0 HG2 PRO A 127 9.321 -17.415 -13.003 1.00 0.00 H new ATOM 0 HG3 PRO A 127 10.603 -17.647 -14.175 1.00 0.00 H new ATOM 0 HD2 PRO A 127 9.332 -15.219 -13.835 1.00 0.00 H new ATOM 0 HD3 PRO A 127 10.052 -15.693 -15.360 1.00 0.00 H new ATOM 54 N GLN A 128 5.705 -18.870 -14.327 1.00 0.00 N ATOM 55 CA GLN A 128 4.588 -19.190 -13.446 1.00 0.00 C ATOM 56 C GLN A 128 5.094 -19.609 -12.069 1.00 0.00 C ATOM 57 O GLN A 128 4.380 -19.498 -11.074 1.00 0.00 O ATOM 58 CB GLN A 128 3.752 -20.321 -14.051 1.00 0.00 C ATOM 59 CG GLN A 128 4.551 -21.011 -15.157 1.00 0.00 C ATOM 60 CD GLN A 128 3.806 -22.250 -15.644 1.00 0.00 C ATOM 61 OE1 GLN A 128 3.921 -23.319 -15.046 1.00 0.00 O ATOM 62 NE2 GLN A 128 3.042 -22.167 -16.700 1.00 0.00 N ATOM 0 H GLN A 128 5.972 -19.620 -14.965 1.00 0.00 H new ATOM 0 HA GLN A 128 3.969 -18.299 -13.337 1.00 0.00 H new ATOM 0 HB2 GLN A 128 3.483 -21.042 -13.279 1.00 0.00 H new ATOM 0 HB3 GLN A 128 2.821 -19.923 -14.455 1.00 0.00 H new ATOM 0 HG2 GLN A 128 4.709 -20.322 -15.987 1.00 0.00 H new ATOM 0 HG3 GLN A 128 5.536 -21.292 -14.784 1.00 0.00 H new ATOM 0 HE21 GLN A 128 2.949 -21.279 -17.194 1.00 0.00 H new ATOM 0 HE22 GLN A 128 2.539 -22.990 -17.031 1.00 0.00 H new ATOM 71 N ILE A 129 6.333 -20.091 -12.023 1.00 0.00 N ATOM 72 CA ILE A 129 6.926 -20.524 -10.762 1.00 0.00 C ATOM 73 C ILE A 129 7.542 -19.339 -10.025 1.00 0.00 C ATOM 74 O ILE A 129 8.382 -19.514 -9.143 1.00 0.00 O ATOM 75 CB ILE A 129 8.001 -21.578 -11.026 1.00 0.00 C ATOM 76 CG1 ILE A 129 7.676 -22.323 -12.324 1.00 0.00 C ATOM 77 CG2 ILE A 129 8.037 -22.573 -9.864 1.00 0.00 C ATOM 78 CD1 ILE A 129 8.566 -23.563 -12.438 1.00 0.00 C ATOM 0 H ILE A 129 6.941 -20.191 -12.836 1.00 0.00 H new ATOM 0 HA ILE A 129 6.140 -20.955 -10.141 1.00 0.00 H new ATOM 0 HB ILE A 129 8.972 -21.091 -11.118 1.00 0.00 H new ATOM 0 HG12 ILE A 129 6.626 -22.614 -12.335 1.00 0.00 H new ATOM 0 HG13 ILE A 129 7.835 -21.668 -13.181 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.804 -23.325 -10.052 1.00 0.00 H new ATOM 0 HG22 ILE A 129 8.267 -22.044 -8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 129 7.066 -23.060 -9.772 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.335 -24.093 -13.362 1.00 0.00 H new ATOM 0 HD12 ILE A 129 9.613 -23.260 -12.446 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.385 -24.220 -11.587 1.00 0.00 H new ATOM 90 N ASN A 130 7.119 -18.134 -10.393 1.00 0.00 N ATOM 91 CA ASN A 130 7.635 -16.927 -9.760 1.00 0.00 C ATOM 92 C ASN A 130 7.169 -16.841 -8.310 1.00 0.00 C ATOM 93 O ASN A 130 7.938 -16.476 -7.421 1.00 0.00 O ATOM 94 CB ASN A 130 7.161 -15.691 -10.526 1.00 0.00 C ATOM 95 CG ASN A 130 5.666 -15.484 -10.305 1.00 0.00 C ATOM 96 OD1 ASN A 130 4.856 -16.310 -10.722 1.00 0.00 O ATOM 97 ND2 ASN A 130 5.251 -14.422 -9.671 1.00 0.00 N ATOM 0 H ASN A 130 6.425 -17.968 -11.122 1.00 0.00 H new ATOM 0 HA ASN A 130 8.724 -16.968 -9.777 1.00 0.00 H new ATOM 0 HB2 ASN A 130 7.712 -14.812 -10.192 1.00 0.00 H new ATOM 0 HB3 ASN A 130 7.367 -15.811 -11.590 1.00 0.00 H new ATOM 0 HD21 ASN A 130 4.253 -14.275 -9.520 1.00 0.00 H new ATOM 0 HD22 ASN A 130 5.925 -13.738 -9.326 1.00 0.00 H new ATOM 104 N PHE A 131 5.904 -17.178 -8.080 1.00 0.00 N ATOM 105 CA PHE A 131 5.345 -17.135 -6.733 1.00 0.00 C ATOM 106 C PHE A 131 6.100 -18.086 -5.809 1.00 0.00 C ATOM 107 O PHE A 131 6.649 -17.670 -4.789 1.00 0.00 O ATOM 108 CB PHE A 131 3.867 -17.522 -6.769 1.00 0.00 C ATOM 109 CG PHE A 131 3.058 -16.490 -6.021 1.00 0.00 C ATOM 110 CD1 PHE A 131 2.782 -15.251 -6.613 1.00 0.00 C ATOM 111 CD2 PHE A 131 2.581 -16.772 -4.734 1.00 0.00 C ATOM 112 CE1 PHE A 131 2.032 -14.295 -5.918 1.00 0.00 C ATOM 113 CE2 PHE A 131 1.832 -15.816 -4.040 1.00 0.00 C ATOM 114 CZ PHE A 131 1.557 -14.577 -4.631 1.00 0.00 C ATOM 0 H PHE A 131 5.251 -17.482 -8.802 1.00 0.00 H new ATOM 0 HA PHE A 131 5.445 -16.119 -6.350 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.523 -17.591 -7.801 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.726 -18.505 -6.320 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.148 -15.033 -7.606 1.00 0.00 H new ATOM 0 HD2 PHE A 131 2.792 -17.728 -4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 131 1.820 -13.340 -6.374 1.00 0.00 H new ATOM 0 HE2 PHE A 131 1.466 -16.034 -3.048 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.979 -13.839 -4.095 1.00 0.00 H new ATOM 124 N LEU A 132 6.122 -19.364 -6.174 1.00 0.00 N ATOM 125 CA LEU A 132 6.811 -20.365 -5.369 1.00 0.00 C ATOM 126 C LEU A 132 8.303 -20.057 -5.293 1.00 0.00 C ATOM 127 O LEU A 132 8.946 -20.304 -4.271 1.00 0.00 O ATOM 128 CB LEU A 132 6.607 -21.754 -5.977 1.00 0.00 C ATOM 129 CG LEU A 132 5.614 -22.544 -5.123 1.00 0.00 C ATOM 130 CD1 LEU A 132 4.285 -21.789 -5.055 1.00 0.00 C ATOM 131 CD2 LEU A 132 5.384 -23.920 -5.751 1.00 0.00 C ATOM 0 H LEU A 132 5.674 -19.728 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 132 6.395 -20.343 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 132 6.235 -21.665 -6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 132 7.559 -22.283 -6.030 1.00 0.00 H new ATOM 0 HG LEU A 132 6.016 -22.664 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 132 3.577 -22.352 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.446 -20.808 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 132 3.883 -21.669 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.676 -24.484 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 132 4.982 -23.798 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 132 6.330 -24.460 -5.801 1.00 0.00 H new ATOM 143 N GLY A 133 8.847 -19.515 -6.377 1.00 0.00 N ATOM 144 CA GLY A 133 10.266 -19.177 -6.420 1.00 0.00 C ATOM 145 C GLY A 133 10.594 -18.076 -5.419 1.00 0.00 C ATOM 146 O GLY A 133 11.583 -18.160 -4.691 1.00 0.00 O ATOM 0 H GLY A 133 8.332 -19.301 -7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.862 -20.063 -6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 133 10.536 -18.853 -7.425 1.00 0.00 H new ATOM 150 N SER A 134 9.759 -17.043 -5.387 1.00 0.00 N ATOM 151 CA SER A 134 9.970 -15.929 -4.469 1.00 0.00 C ATOM 152 C SER A 134 9.786 -16.381 -3.026 1.00 0.00 C ATOM 153 O SER A 134 10.264 -15.732 -2.095 1.00 0.00 O ATOM 154 CB SER A 134 8.987 -14.801 -4.782 1.00 0.00 C ATOM 155 OG SER A 134 7.784 -15.014 -4.054 1.00 0.00 O ATOM 0 H SER A 134 8.935 -16.954 -5.982 1.00 0.00 H new ATOM 0 HA SER A 134 10.990 -15.567 -4.596 1.00 0.00 H new ATOM 0 HB2 SER A 134 9.422 -13.838 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.778 -14.770 -5.851 1.00 0.00 H new ATOM 0 HG SER A 134 7.407 -15.886 -4.294 1.00 0.00 H new ATOM 161 N LEU A 135 9.091 -17.500 -2.845 1.00 0.00 N ATOM 162 CA LEU A 135 8.850 -18.031 -1.508 1.00 0.00 C ATOM 163 C LEU A 135 10.161 -18.481 -0.869 1.00 0.00 C ATOM 164 O LEU A 135 10.416 -18.210 0.304 1.00 0.00 O ATOM 165 CB LEU A 135 7.881 -19.218 -1.584 1.00 0.00 C ATOM 166 CG LEU A 135 6.741 -19.044 -0.574 1.00 0.00 C ATOM 167 CD1 LEU A 135 7.315 -18.844 0.831 1.00 0.00 C ATOM 168 CD2 LEU A 135 5.892 -17.828 -0.959 1.00 0.00 C ATOM 0 H LEU A 135 8.688 -18.053 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 135 8.411 -17.243 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.473 -19.299 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.416 -20.146 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 135 6.118 -19.938 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 135 6.499 -18.721 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 135 7.910 -19.714 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 135 7.945 -17.954 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.082 -17.707 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 135 6.515 -16.934 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.473 -17.977 -1.954 1.00 0.00 H new ATOM 180 N LEU A 136 10.988 -19.168 -1.650 1.00 0.00 N ATOM 181 CA LEU A 136 12.270 -19.651 -1.151 1.00 0.00 C ATOM 182 C LEU A 136 13.178 -18.479 -0.789 1.00 0.00 C ATOM 183 O LEU A 136 13.819 -18.479 0.262 1.00 0.00 O ATOM 184 CB LEU A 136 12.954 -20.518 -2.214 1.00 0.00 C ATOM 185 CG LEU A 136 12.780 -22.004 -1.875 1.00 0.00 C ATOM 186 CD1 LEU A 136 13.579 -22.353 -0.616 1.00 0.00 C ATOM 187 CD2 LEU A 136 11.297 -22.305 -1.636 1.00 0.00 C ATOM 0 H LEU A 136 10.795 -19.402 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 136 12.089 -20.248 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 136 12.527 -20.308 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 136 14.014 -20.271 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 136 13.146 -22.603 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 136 13.449 -23.410 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 136 14.636 -22.146 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 136 13.222 -21.751 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 136 11.174 -23.361 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 136 10.932 -21.699 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 136 10.728 -22.070 -2.536 1.00 0.00 H new ATOM 199 N ILE A 137 13.225 -17.482 -1.666 1.00 0.00 N ATOM 200 CA ILE A 137 14.059 -16.308 -1.430 1.00 0.00 C ATOM 201 C ILE A 137 13.516 -15.495 -0.257 1.00 0.00 C ATOM 202 O ILE A 137 14.254 -15.155 0.667 1.00 0.00 O ATOM 203 CB ILE A 137 14.098 -15.435 -2.684 1.00 0.00 C ATOM 204 CG1 ILE A 137 14.355 -16.316 -3.909 1.00 0.00 C ATOM 205 CG2 ILE A 137 15.222 -14.405 -2.554 1.00 0.00 C ATOM 206 CD1 ILE A 137 14.473 -15.437 -5.155 1.00 0.00 C ATOM 0 H ILE A 137 12.700 -17.462 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 137 15.068 -16.643 -1.190 1.00 0.00 H new ATOM 0 HB ILE A 137 13.144 -14.920 -2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 137 15.270 -16.892 -3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 137 13.542 -17.032 -4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 137 15.250 -13.782 -3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 137 15.042 -13.778 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.176 -14.920 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.656 -16.065 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.547 -14.880 -5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.301 -14.739 -5.031 1.00 0.00 H new ATOM 218 N ALA A 138 12.224 -15.187 -0.305 1.00 0.00 N ATOM 219 CA ALA A 138 11.595 -14.413 0.759 1.00 0.00 C ATOM 220 C ALA A 138 11.801 -15.091 2.110 1.00 0.00 C ATOM 221 O ALA A 138 11.858 -14.429 3.146 1.00 0.00 O ATOM 222 CB ALA A 138 10.097 -14.268 0.483 1.00 0.00 C ATOM 0 H ALA A 138 11.597 -15.459 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 138 12.057 -13.426 0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 138 9.634 -13.689 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 138 9.950 -13.756 -0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 138 9.638 -15.256 0.438 1.00 0.00 H new ATOM 228 N GLY A 139 11.915 -16.415 2.091 1.00 0.00 N ATOM 229 CA GLY A 139 12.114 -17.173 3.319 1.00 0.00 C ATOM 230 C GLY A 139 13.286 -16.613 4.120 1.00 0.00 C ATOM 231 O GLY A 139 13.208 -16.480 5.341 1.00 0.00 O ATOM 0 H GLY A 139 11.873 -16.982 1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 139 11.207 -17.140 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 139 12.299 -18.220 3.079 1.00 0.00 H new ATOM 235 N CYS A 140 14.369 -16.287 3.423 1.00 0.00 N ATOM 236 CA CYS A 140 15.552 -15.743 4.079 1.00 0.00 C ATOM 237 C CYS A 140 15.250 -14.373 4.678 1.00 0.00 C ATOM 238 O CYS A 140 15.672 -14.066 5.793 1.00 0.00 O ATOM 239 CB CYS A 140 16.698 -15.621 3.073 1.00 0.00 C ATOM 240 SG CYS A 140 16.665 -17.037 1.946 1.00 0.00 S ATOM 0 H CYS A 140 14.452 -16.389 2.412 1.00 0.00 H new ATOM 0 HA CYS A 140 15.844 -16.421 4.881 1.00 0.00 H new ATOM 0 HB2 CYS A 140 16.605 -14.692 2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 140 17.653 -15.582 3.597 1.00 0.00 H new ATOM 0 HG CYS A 140 15.758 -16.845 1.035 1.00 0.00 H new ATOM 246 N ILE A 141 14.518 -13.555 3.930 1.00 0.00 N ATOM 247 CA ILE A 141 14.166 -12.219 4.396 1.00 0.00 C ATOM 248 C ILE A 141 13.276 -12.301 5.633 1.00 0.00 C ATOM 249 O ILE A 141 13.418 -11.511 6.566 1.00 0.00 O ATOM 250 CB ILE A 141 13.436 -11.454 3.291 1.00 0.00 C ATOM 251 CG1 ILE A 141 14.455 -10.938 2.273 1.00 0.00 C ATOM 252 CG2 ILE A 141 12.681 -10.272 3.900 1.00 0.00 C ATOM 253 CD1 ILE A 141 13.726 -10.482 1.007 1.00 0.00 C ATOM 0 H ILE A 141 14.159 -13.791 3.005 1.00 0.00 H new ATOM 0 HA ILE A 141 15.084 -11.692 4.656 1.00 0.00 H new ATOM 0 HB ILE A 141 12.729 -12.118 2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 141 15.021 -10.109 2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 141 15.172 -11.723 2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 141 12.161 -9.727 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 141 11.956 -10.639 4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 141 13.387 -9.606 4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 141 14.452 -10.114 0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 141 13.179 -11.322 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 141 13.027 -9.684 1.257 1.00 0.00 H new ATOM 265 N THR A 142 12.358 -13.262 5.632 1.00 0.00 N ATOM 266 CA THR A 142 11.451 -13.439 6.760 1.00 0.00 C ATOM 267 C THR A 142 12.231 -13.747 8.033 1.00 0.00 C ATOM 268 O THR A 142 12.218 -12.967 8.985 1.00 0.00 O ATOM 269 CB THR A 142 10.471 -14.579 6.471 1.00 0.00 C ATOM 270 OG1 THR A 142 9.752 -14.290 5.278 1.00 0.00 O ATOM 271 CG2 THR A 142 9.494 -14.726 7.637 1.00 0.00 C ATOM 0 H THR A 142 12.223 -13.925 4.869 1.00 0.00 H new ATOM 0 HA THR A 142 10.896 -12.512 6.903 1.00 0.00 H new ATOM 0 HB THR A 142 11.023 -15.511 6.347 1.00 0.00 H new ATOM 0 HG1 THR A 142 10.347 -14.389 4.505 1.00 0.00 H new ATOM 0 HG21 THR A 142 8.798 -15.538 7.428 1.00 0.00 H new ATOM 0 HG22 THR A 142 10.047 -14.948 8.550 1.00 0.00 H new ATOM 0 HG23 THR A 142 8.939 -13.797 7.766 1.00 0.00 H new ATOM 279 N SER A 143 12.908 -14.891 8.044 1.00 0.00 N ATOM 280 CA SER A 143 13.691 -15.293 9.207 1.00 0.00 C ATOM 281 C SER A 143 12.776 -15.763 10.333 1.00 0.00 C ATOM 282 O SER A 143 13.101 -16.701 11.060 1.00 0.00 O ATOM 283 CB SER A 143 14.541 -14.119 9.695 1.00 0.00 C ATOM 284 OG SER A 143 15.809 -14.602 10.119 1.00 0.00 O ATOM 0 H SER A 143 12.931 -15.551 7.267 1.00 0.00 H new ATOM 0 HA SER A 143 14.342 -16.117 8.916 1.00 0.00 H new ATOM 0 HB2 SER A 143 14.666 -13.388 8.896 1.00 0.00 H new ATOM 0 HB3 SER A 143 14.040 -13.609 10.518 1.00 0.00 H new ATOM 0 HG SER A 143 16.357 -13.852 10.431 1.00 0.00 H new ATOM 290 N THR A 144 11.629 -15.106 10.470 1.00 0.00 N ATOM 291 CA THR A 144 10.673 -15.466 11.511 1.00 0.00 C ATOM 292 C THR A 144 9.581 -16.368 10.947 1.00 0.00 C ATOM 293 O THR A 144 9.822 -17.538 10.648 1.00 0.00 O ATOM 294 CB THR A 144 10.041 -14.203 12.100 1.00 0.00 C ATOM 295 OG1 THR A 144 9.281 -13.544 11.096 1.00 0.00 O ATOM 296 CG2 THR A 144 11.140 -13.268 12.605 1.00 0.00 C ATOM 0 H THR A 144 11.340 -14.327 9.878 1.00 0.00 H new ATOM 0 HA THR A 144 11.205 -16.005 12.295 1.00 0.00 H new ATOM 0 HB THR A 144 9.390 -14.476 12.930 1.00 0.00 H new ATOM 0 HG1 THR A 144 8.874 -12.736 11.472 1.00 0.00 H new ATOM 0 HG21 THR A 144 10.688 -12.369 13.024 1.00 0.00 H new ATOM 0 HG22 THR A 144 11.723 -13.774 13.375 1.00 0.00 H new ATOM 0 HG23 THR A 144 11.793 -12.994 11.777 1.00 0.00 H new ATOM 304 N ASP A 145 8.380 -15.818 10.805 1.00 0.00 N ATOM 305 CA ASP A 145 7.257 -16.583 10.275 1.00 0.00 C ATOM 306 C ASP A 145 6.205 -15.647 9.684 1.00 0.00 C ATOM 307 O ASP A 145 6.204 -14.449 9.961 1.00 0.00 O ATOM 308 CB ASP A 145 6.629 -17.423 11.389 1.00 0.00 C ATOM 309 CG ASP A 145 7.319 -17.127 12.717 1.00 0.00 C ATOM 310 OD1 ASP A 145 7.207 -16.006 13.184 1.00 0.00 O ATOM 311 OD2 ASP A 145 7.950 -18.027 13.247 1.00 0.00 O1- ATOM 0 H ASP A 145 8.160 -14.852 11.048 1.00 0.00 H new ATOM 0 HA ASP A 145 7.625 -17.241 9.488 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.564 -17.203 11.466 1.00 0.00 H new ATOM 0 HB3 ASP A 145 6.719 -18.483 11.151 1.00 0.00 H new ATOM 316 N PRO A 146 5.315 -16.172 8.881 1.00 0.00 N ATOM 317 CA PRO A 146 4.238 -15.369 8.242 1.00 0.00 C ATOM 318 C PRO A 146 3.676 -14.306 9.182 1.00 0.00 C ATOM 319 O PRO A 146 3.837 -14.393 10.400 1.00 0.00 O ATOM 320 CB PRO A 146 3.180 -16.415 7.900 1.00 0.00 C ATOM 321 CG PRO A 146 3.929 -17.693 7.695 1.00 0.00 C ATOM 322 CD PRO A 146 5.236 -17.589 8.492 1.00 0.00 C ATOM 0 HA PRO A 146 4.594 -14.812 7.376 1.00 0.00 H new ATOM 0 HB2 PRO A 146 2.451 -16.513 8.704 1.00 0.00 H new ATOM 0 HB3 PRO A 146 2.628 -16.136 7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 146 3.338 -18.543 8.035 1.00 0.00 H new ATOM 0 HG3 PRO A 146 4.136 -17.852 6.637 1.00 0.00 H new ATOM 0 HD2 PRO A 146 5.222 -18.241 9.366 1.00 0.00 H new ATOM 0 HD3 PRO A 146 6.094 -17.884 7.888 1.00 0.00 H new ATOM 330 N VAL A 147 3.016 -13.305 8.608 1.00 0.00 N ATOM 331 CA VAL A 147 2.433 -12.232 9.406 1.00 0.00 C ATOM 332 C VAL A 147 1.223 -12.739 10.184 1.00 0.00 C ATOM 333 O VAL A 147 0.802 -12.126 11.165 1.00 0.00 O ATOM 334 CB VAL A 147 2.012 -11.076 8.497 1.00 0.00 C ATOM 335 CG1 VAL A 147 3.193 -10.127 8.296 1.00 0.00 C ATOM 336 CG2 VAL A 147 1.570 -11.632 7.142 1.00 0.00 C ATOM 0 H VAL A 147 2.872 -13.214 7.602 1.00 0.00 H new ATOM 0 HA VAL A 147 3.184 -11.882 10.114 1.00 0.00 H new ATOM 0 HB VAL A 147 1.186 -10.534 8.957 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.892 -9.304 7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 147 3.511 -9.732 9.261 1.00 0.00 H new ATOM 0 HG13 VAL A 147 4.020 -10.668 7.835 1.00 0.00 H new ATOM 0 HG21 VAL A 147 1.269 -10.810 6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 147 2.398 -12.173 6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 147 0.728 -12.309 7.284 1.00 0.00 H new ATOM 346 N LEU A 148 0.666 -13.861 9.738 1.00 0.00 N ATOM 347 CA LEU A 148 -0.496 -14.440 10.400 1.00 0.00 C ATOM 348 C LEU A 148 -0.115 -14.986 11.773 1.00 0.00 C ATOM 349 O LEU A 148 -0.878 -14.869 12.731 1.00 0.00 O ATOM 350 CB LEU A 148 -1.076 -15.568 9.544 1.00 0.00 C ATOM 351 CG LEU A 148 -2.431 -15.136 8.980 1.00 0.00 C ATOM 352 CD1 LEU A 148 -2.249 -13.888 8.115 1.00 0.00 C ATOM 353 CD2 LEU A 148 -3.009 -16.267 8.127 1.00 0.00 C ATOM 0 H LEU A 148 0.998 -14.383 8.927 1.00 0.00 H new ATOM 0 HA LEU A 148 -1.245 -13.658 10.528 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -0.392 -15.810 8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -1.191 -16.471 10.143 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.113 -14.912 9.801 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -3.214 -13.580 7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -1.835 -13.082 8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -1.568 -14.111 7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -3.975 -15.962 7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -2.327 -16.489 7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -3.138 -17.157 8.742 1.00 0.00 H new ATOM 365 N SER A 149 1.070 -15.579 11.859 1.00 0.00 N ATOM 366 CA SER A 149 1.544 -16.139 13.121 1.00 0.00 C ATOM 367 C SER A 149 1.539 -15.075 14.214 1.00 0.00 C ATOM 368 O SER A 149 1.306 -15.375 15.385 1.00 0.00 O ATOM 369 CB SER A 149 2.958 -16.691 12.949 1.00 0.00 C ATOM 370 OG SER A 149 3.048 -17.959 13.586 1.00 0.00 O ATOM 0 H SER A 149 1.717 -15.685 11.077 1.00 0.00 H new ATOM 0 HA SER A 149 0.873 -16.947 13.413 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.198 -16.785 11.890 1.00 0.00 H new ATOM 0 HB3 SER A 149 3.685 -16.002 13.380 1.00 0.00 H new ATOM 0 HG SER A 149 3.954 -18.317 13.476 1.00 0.00 H new ATOM 376 N ALA A 150 1.800 -13.832 13.824 1.00 0.00 N ATOM 377 CA ALA A 150 1.825 -12.730 14.779 1.00 0.00 C ATOM 378 C ALA A 150 0.433 -12.491 15.356 1.00 0.00 C ATOM 379 O ALA A 150 0.290 -12.066 16.502 1.00 0.00 O ATOM 380 CB ALA A 150 2.320 -11.456 14.095 1.00 0.00 C ATOM 0 H ALA A 150 1.996 -13.563 12.860 1.00 0.00 H new ATOM 0 HA ALA A 150 2.504 -12.993 15.590 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.335 -10.638 14.816 1.00 0.00 H new ATOM 0 HB2 ALA A 150 3.326 -11.618 13.709 1.00 0.00 H new ATOM 0 HB3 ALA A 150 1.652 -11.202 13.272 1.00 0.00 H new ATOM 386 N LEU A 151 -0.591 -12.769 14.556 1.00 0.00 N ATOM 387 CA LEU A 151 -1.968 -12.581 14.998 1.00 0.00 C ATOM 388 C LEU A 151 -2.334 -13.610 16.061 1.00 0.00 C ATOM 389 O LEU A 151 -2.980 -13.285 17.058 1.00 0.00 O ATOM 390 CB LEU A 151 -2.920 -12.711 13.809 1.00 0.00 C ATOM 391 CG LEU A 151 -3.877 -11.517 13.787 1.00 0.00 C ATOM 392 CD1 LEU A 151 -4.853 -11.664 12.618 1.00 0.00 C ATOM 393 CD2 LEU A 151 -4.660 -11.467 15.100 1.00 0.00 C ATOM 0 H LEU A 151 -0.495 -13.123 13.604 1.00 0.00 H new ATOM 0 HA LEU A 151 -2.059 -11.584 15.428 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -2.353 -12.753 12.879 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -3.484 -13.641 13.881 1.00 0.00 H new ATOM 0 HG LEU A 151 -3.305 -10.597 13.668 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -5.534 -10.813 12.603 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -4.296 -11.699 11.682 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -5.425 -12.584 12.735 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -5.342 -10.617 15.085 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -5.231 -12.388 15.218 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -3.966 -11.361 15.934 1.00 0.00 H new ATOM 405 N ILE A 152 -1.919 -14.853 15.841 1.00 0.00 N ATOM 406 CA ILE A 152 -2.209 -15.924 16.789 1.00 0.00 C ATOM 407 C ILE A 152 -1.385 -15.753 18.061 1.00 0.00 C ATOM 408 O ILE A 152 -1.823 -16.123 19.150 1.00 0.00 O ATOM 409 CB ILE A 152 -1.897 -17.281 16.155 1.00 0.00 C ATOM 410 CG1 ILE A 152 -2.411 -17.299 14.714 1.00 0.00 C ATOM 411 CG2 ILE A 152 -2.585 -18.387 16.955 1.00 0.00 C ATOM 412 CD1 ILE A 152 -2.232 -18.699 14.126 1.00 0.00 C ATOM 0 H ILE A 152 -1.385 -15.143 15.022 1.00 0.00 H new ATOM 0 HA ILE A 152 -3.267 -15.878 17.047 1.00 0.00 H new ATOM 0 HB ILE A 152 -0.820 -17.446 16.159 1.00 0.00 H new ATOM 0 HG12 ILE A 152 -3.463 -17.014 14.688 1.00 0.00 H new ATOM 0 HG13 ILE A 152 -1.868 -16.569 14.114 1.00 0.00 H new ATOM 0 HG21 ILE A 152 -2.363 -19.354 16.504 1.00 0.00 H new ATOM 0 HG22 ILE A 152 -2.221 -18.374 17.982 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -3.663 -18.223 16.950 1.00 0.00 H new ATOM 0 HD11 ILE A 152 -2.598 -18.712 13.099 1.00 0.00 H new ATOM 0 HD12 ILE A 152 -1.175 -18.966 14.138 1.00 0.00 H new ATOM 0 HD13 ILE A 152 -2.795 -19.418 14.721 1.00 0.00 H new ATOM 424 N VAL A 153 -0.191 -15.190 17.915 1.00 0.00 N ATOM 425 CA VAL A 153 0.687 -14.975 19.059 1.00 0.00 C ATOM 426 C VAL A 153 0.976 -16.293 19.768 1.00 0.00 C ATOM 427 O VAL A 153 0.199 -17.244 19.675 1.00 0.00 O ATOM 428 CB VAL A 153 0.035 -13.998 20.041 1.00 0.00 C ATOM 429 CG1 VAL A 153 1.049 -13.600 21.113 1.00 0.00 C ATOM 430 CG2 VAL A 153 -0.426 -12.749 19.285 1.00 0.00 C ATOM 0 H VAL A 153 0.189 -14.876 17.022 1.00 0.00 H new ATOM 0 HA VAL A 153 1.626 -14.556 18.698 1.00 0.00 H new ATOM 0 HB VAL A 153 -0.824 -14.475 20.513 1.00 0.00 H new ATOM 0 HG11 VAL A 153 0.585 -12.904 21.812 1.00 0.00 H new ATOM 0 HG12 VAL A 153 1.378 -14.489 21.650 1.00 0.00 H new ATOM 0 HG13 VAL A 153 1.908 -13.122 20.642 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -0.891 -12.052 19.983 1.00 0.00 H new ATOM 0 HG22 VAL A 153 0.433 -12.272 18.813 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -1.149 -13.033 18.520 1.00 0.00 H new ATOM 440 N GLY A 154 2.101 -16.345 20.475 1.00 0.00 N ATOM 441 CA GLY A 154 2.484 -17.555 21.195 1.00 0.00 C ATOM 442 C GLY A 154 1.540 -17.812 22.364 1.00 0.00 C ATOM 443 O GLY A 154 0.321 -17.795 22.206 1.00 0.00 O ATOM 0 H GLY A 154 2.759 -15.570 20.565 1.00 0.00 H new ATOM 0 HA2 GLY A 154 2.469 -18.407 20.516 1.00 0.00 H new ATOM 0 HA3 GLY A 154 3.506 -17.457 21.562 1.00 0.00 H new TER 447 GLY A 154