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= -0.0881 X(o=-0.088,f=-0.35) USER MOD Single : A 130 ASN : amide:sc= 0 K(o=0,f=-1) 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 88:sc= 0.907 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 18.687 -25.119 -14.735 1.00 0.00 N ATOM 2 CA LEU A 125 17.585 -25.589 -15.567 1.00 0.00 C ATOM 3 C LEU A 125 16.425 -24.596 -15.526 1.00 0.00 C ATOM 4 O LEU A 125 16.532 -23.529 -14.921 1.00 0.00 O ATOM 5 CB LEU A 125 17.105 -26.959 -15.074 1.00 0.00 C ATOM 6 CG LEU A 125 17.663 -28.068 -15.976 1.00 0.00 C ATOM 7 CD1 LEU A 125 17.024 -27.986 -17.366 1.00 0.00 C ATOM 8 CD2 LEU A 125 19.181 -27.910 -16.103 1.00 0.00 C ATOM 0 HA LEU A 125 17.939 -25.677 -16.594 1.00 0.00 H new ATOM 0 HB2 LEU A 125 17.429 -27.118 -14.046 1.00 0.00 H new ATOM 0 HB3 LEU A 125 16.016 -26.993 -15.074 1.00 0.00 H new ATOM 0 HG LEU A 125 17.431 -29.036 -15.533 1.00 0.00 H new ATOM 0 HD11 LEU A 125 17.426 -28.777 -17.999 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.944 -28.106 -17.278 1.00 0.00 H new ATOM 0 HD13 LEU A 125 17.246 -27.016 -17.812 1.00 0.00 H new ATOM 0 HD21 LEU A 125 19.576 -28.698 -16.744 1.00 0.00 H new ATOM 0 HD22 LEU A 125 19.410 -26.938 -16.540 1.00 0.00 H new ATOM 0 HD23 LEU A 125 19.638 -27.981 -15.116 1.00 0.00 H new ATOM 20 N PHE A 126 15.322 -24.956 -16.174 1.00 0.00 N ATOM 21 CA PHE A 126 14.148 -24.090 -16.208 1.00 0.00 C ATOM 22 C PHE A 126 12.879 -24.895 -15.942 1.00 0.00 C ATOM 23 O PHE A 126 12.056 -25.086 -16.836 1.00 0.00 O ATOM 24 CB PHE A 126 14.043 -23.407 -17.574 1.00 0.00 C ATOM 25 CG PHE A 126 14.441 -24.382 -18.655 1.00 0.00 C ATOM 26 CD1 PHE A 126 15.795 -24.603 -18.934 1.00 0.00 C ATOM 27 CD2 PHE A 126 13.456 -25.064 -19.380 1.00 0.00 C ATOM 28 CE1 PHE A 126 16.165 -25.507 -19.938 1.00 0.00 C ATOM 29 CE2 PHE A 126 13.826 -25.967 -20.383 1.00 0.00 C ATOM 30 CZ PHE A 126 15.180 -26.189 -20.664 1.00 0.00 C ATOM 0 H PHE A 126 15.216 -25.835 -16.680 1.00 0.00 H new ATOM 0 HA PHE A 126 14.255 -23.334 -15.430 1.00 0.00 H new ATOM 0 HB2 PHE A 126 13.024 -23.058 -17.741 1.00 0.00 H new ATOM 0 HB3 PHE A 126 14.689 -22.530 -17.605 1.00 0.00 H new ATOM 0 HD1 PHE A 126 16.554 -24.076 -18.375 1.00 0.00 H new ATOM 0 HD2 PHE A 126 12.411 -24.893 -19.165 1.00 0.00 H new ATOM 0 HE1 PHE A 126 17.210 -25.678 -20.152 1.00 0.00 H new ATOM 0 HE2 PHE A 126 13.066 -26.494 -20.941 1.00 0.00 H new ATOM 0 HZ PHE A 126 15.464 -26.885 -21.439 1.00 0.00 H new ATOM 40 N PRO A 127 12.713 -25.366 -14.736 1.00 0.00 N ATOM 41 CA PRO A 127 11.525 -26.168 -14.339 1.00 0.00 C ATOM 42 C PRO A 127 10.310 -25.291 -14.044 1.00 0.00 C ATOM 43 O PRO A 127 10.404 -24.064 -14.045 1.00 0.00 O ATOM 44 CB PRO A 127 11.993 -26.897 -13.080 1.00 0.00 C ATOM 45 CG PRO A 127 13.039 -26.016 -12.475 1.00 0.00 C ATOM 46 CD PRO A 127 13.646 -25.184 -13.612 1.00 0.00 C ATOM 0 HA PRO A 127 11.198 -26.841 -15.132 1.00 0.00 H new ATOM 0 HB2 PRO A 127 11.166 -27.056 -12.388 1.00 0.00 H new ATOM 0 HB3 PRO A 127 12.399 -27.879 -13.323 1.00 0.00 H new ATOM 0 HG2 PRO A 127 12.603 -25.368 -11.715 1.00 0.00 H new ATOM 0 HG3 PRO A 127 13.807 -26.613 -11.983 1.00 0.00 H new ATOM 0 HD2 PRO A 127 13.733 -24.134 -13.333 1.00 0.00 H new ATOM 0 HD3 PRO A 127 14.648 -25.530 -13.867 1.00 0.00 H new ATOM 54 N GLN A 128 9.172 -25.930 -13.791 1.00 0.00 N ATOM 55 CA GLN A 128 7.945 -25.199 -13.496 1.00 0.00 C ATOM 56 C GLN A 128 7.941 -24.722 -12.046 1.00 0.00 C ATOM 57 O GLN A 128 7.455 -23.633 -11.742 1.00 0.00 O ATOM 58 CB GLN A 128 6.731 -26.094 -13.745 1.00 0.00 C ATOM 59 CG GLN A 128 5.467 -25.233 -13.807 1.00 0.00 C ATOM 60 CD GLN A 128 5.381 -24.531 -15.158 1.00 0.00 C ATOM 61 OE1 GLN A 128 5.827 -23.392 -15.296 1.00 0.00 O ATOM 62 NE2 GLN A 128 4.830 -25.145 -16.169 1.00 0.00 N ATOM 0 H GLN A 128 9.074 -26.945 -13.784 1.00 0.00 H new ATOM 0 HA GLN A 128 7.895 -24.330 -14.152 1.00 0.00 H new ATOM 0 HB2 GLN A 128 6.856 -26.643 -14.678 1.00 0.00 H new ATOM 0 HB3 GLN A 128 6.642 -26.834 -12.949 1.00 0.00 H new ATOM 0 HG2 GLN A 128 4.585 -25.855 -13.654 1.00 0.00 H new ATOM 0 HG3 GLN A 128 5.480 -24.495 -13.005 1.00 0.00 H new ATOM 0 HE21 GLN A 128 4.461 -26.089 -16.053 1.00 0.00 H new ATOM 0 HE22 GLN A 128 4.768 -24.681 -17.075 1.00 0.00 H new ATOM 71 N ILE A 129 8.487 -25.545 -11.157 1.00 0.00 N ATOM 72 CA ILE A 129 8.541 -25.197 -9.741 1.00 0.00 C ATOM 73 C ILE A 129 9.433 -23.981 -9.522 1.00 0.00 C ATOM 74 O ILE A 129 9.662 -23.564 -8.386 1.00 0.00 O ATOM 75 CB ILE A 129 9.077 -26.379 -8.933 1.00 0.00 C ATOM 76 CG1 ILE A 129 8.692 -27.688 -9.628 1.00 0.00 C ATOM 77 CG2 ILE A 129 8.472 -26.354 -7.528 1.00 0.00 C ATOM 78 CD1 ILE A 129 8.798 -28.846 -8.634 1.00 0.00 C ATOM 0 H ILE A 129 8.895 -26.451 -11.389 1.00 0.00 H new ATOM 0 HA ILE A 129 7.532 -24.957 -9.406 1.00 0.00 H new ATOM 0 HB ILE A 129 10.162 -26.308 -8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 129 7.676 -27.620 -10.016 1.00 0.00 H new ATOM 0 HG13 ILE A 129 9.348 -27.866 -10.480 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.854 -27.197 -6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 129 8.743 -25.422 -7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 129 7.387 -26.425 -7.598 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.524 -29.777 -9.130 1.00 0.00 H new ATOM 0 HD12 ILE A 129 9.822 -28.918 -8.267 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.124 -28.669 -7.796 1.00 0.00 H new ATOM 90 N ASN A 130 9.937 -23.417 -10.616 1.00 0.00 N ATOM 91 CA ASN A 130 10.804 -22.247 -10.529 1.00 0.00 C ATOM 92 C ASN A 130 10.018 -21.032 -10.051 1.00 0.00 C ATOM 93 O ASN A 130 10.568 -20.142 -9.400 1.00 0.00 O ATOM 94 CB ASN A 130 11.421 -21.954 -11.898 1.00 0.00 C ATOM 95 CG ASN A 130 12.401 -20.792 -11.789 1.00 0.00 C ATOM 96 OD1 ASN A 130 13.064 -20.631 -10.765 1.00 0.00 O ATOM 97 ND2 ASN A 130 12.535 -19.966 -12.792 1.00 0.00 N ATOM 0 H ASN A 130 9.762 -23.748 -11.565 1.00 0.00 H new ATOM 0 HA ASN A 130 11.596 -22.456 -9.811 1.00 0.00 H new ATOM 0 HB2 ASN A 130 11.934 -22.840 -12.272 1.00 0.00 H new ATOM 0 HB3 ASN A 130 10.637 -21.713 -12.616 1.00 0.00 H new ATOM 0 HD21 ASN A 130 13.190 -19.187 -12.727 1.00 0.00 H new ATOM 0 HD22 ASN A 130 11.985 -20.100 -13.640 1.00 0.00 H new ATOM 104 N PHE A 131 8.731 -20.999 -10.378 1.00 0.00 N ATOM 105 CA PHE A 131 7.879 -19.885 -9.976 1.00 0.00 C ATOM 106 C PHE A 131 7.821 -19.775 -8.456 1.00 0.00 C ATOM 107 O PHE A 131 7.934 -18.684 -7.898 1.00 0.00 O ATOM 108 CB PHE A 131 6.466 -20.082 -10.530 1.00 0.00 C ATOM 109 CG PHE A 131 5.860 -18.739 -10.855 1.00 0.00 C ATOM 110 CD1 PHE A 131 6.055 -18.172 -12.121 1.00 0.00 C ATOM 111 CD2 PHE A 131 5.104 -18.060 -9.893 1.00 0.00 C ATOM 112 CE1 PHE A 131 5.493 -16.926 -12.423 1.00 0.00 C ATOM 113 CE2 PHE A 131 4.541 -16.813 -10.195 1.00 0.00 C ATOM 114 CZ PHE A 131 4.737 -16.246 -11.461 1.00 0.00 C ATOM 0 H PHE A 131 8.257 -21.724 -10.916 1.00 0.00 H new ATOM 0 HA PHE A 131 8.302 -18.965 -10.379 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.498 -20.704 -11.424 1.00 0.00 H new ATOM 0 HB3 PHE A 131 5.848 -20.605 -9.800 1.00 0.00 H new ATOM 0 HD1 PHE A 131 6.639 -18.696 -12.864 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.954 -18.497 -8.917 1.00 0.00 H new ATOM 0 HE1 PHE A 131 5.643 -16.489 -13.399 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.957 -16.290 -9.453 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.305 -15.284 -11.695 1.00 0.00 H new ATOM 124 N LEU A 132 7.645 -20.913 -7.793 1.00 0.00 N ATOM 125 CA LEU A 132 7.575 -20.933 -6.335 1.00 0.00 C ATOM 126 C LEU A 132 8.883 -20.437 -5.729 1.00 0.00 C ATOM 127 O LEU A 132 8.924 -20.026 -4.569 1.00 0.00 O ATOM 128 CB LEU A 132 7.288 -22.353 -5.845 1.00 0.00 C ATOM 129 CG LEU A 132 5.779 -22.546 -5.692 1.00 0.00 C ATOM 130 CD1 LEU A 132 5.088 -22.229 -7.019 1.00 0.00 C ATOM 131 CD2 LEU A 132 5.489 -23.997 -5.302 1.00 0.00 C ATOM 0 H LEU A 132 7.549 -21.827 -8.236 1.00 0.00 H new ATOM 0 HA LEU A 132 6.768 -20.271 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 132 7.688 -23.080 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 132 7.786 -22.527 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 132 5.403 -21.878 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.012 -22.366 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 132 5.296 -21.196 -7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.463 -22.898 -7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.414 -24.136 -5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 132 5.864 -24.664 -6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.982 -24.225 -4.357 1.00 0.00 H new ATOM 143 N GLY A 133 9.950 -20.479 -6.520 1.00 0.00 N ATOM 144 CA GLY A 133 11.256 -20.031 -6.050 1.00 0.00 C ATOM 145 C GLY A 133 11.181 -18.606 -5.510 1.00 0.00 C ATOM 146 O GLY A 133 12.013 -18.196 -4.701 1.00 0.00 O ATOM 0 H GLY A 133 9.937 -20.816 -7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 133 11.616 -20.701 -5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.976 -20.077 -6.867 1.00 0.00 H new ATOM 150 N SER A 134 10.180 -17.860 -5.963 1.00 0.00 N ATOM 151 CA SER A 134 10.007 -16.480 -5.518 1.00 0.00 C ATOM 152 C SER A 134 9.637 -16.440 -4.039 1.00 0.00 C ATOM 153 O SER A 134 10.191 -15.651 -3.274 1.00 0.00 O ATOM 154 CB SER A 134 8.912 -15.802 -6.339 1.00 0.00 C ATOM 155 OG SER A 134 9.423 -14.601 -6.902 1.00 0.00 O ATOM 0 H SER A 134 9.481 -18.183 -6.632 1.00 0.00 H new ATOM 0 HA SER A 134 10.948 -15.949 -5.661 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.567 -16.470 -7.129 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.051 -15.584 -5.708 1.00 0.00 H new ATOM 0 HG SER A 134 8.723 -14.164 -7.431 1.00 0.00 H new ATOM 161 N LEU A 135 8.699 -17.292 -3.644 1.00 0.00 N ATOM 162 CA LEU A 135 8.261 -17.344 -2.253 1.00 0.00 C ATOM 163 C LEU A 135 9.387 -17.843 -1.353 1.00 0.00 C ATOM 164 O LEU A 135 9.364 -17.636 -0.140 1.00 0.00 O ATOM 165 CB LEU A 135 7.051 -18.270 -2.121 1.00 0.00 C ATOM 166 CG LEU A 135 5.818 -17.589 -2.718 1.00 0.00 C ATOM 167 CD1 LEU A 135 4.885 -18.647 -3.308 1.00 0.00 C ATOM 168 CD2 LEU A 135 5.083 -16.817 -1.620 1.00 0.00 C ATOM 0 H LEU A 135 8.229 -17.953 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 135 7.983 -16.337 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.243 -19.212 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.875 -18.509 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 135 6.128 -16.900 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.007 -18.161 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.408 -19.199 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.574 -19.336 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.204 -16.331 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.773 -17.507 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.747 -16.063 -1.199 1.00 0.00 H new ATOM 180 N LEU A 136 10.369 -18.507 -1.955 1.00 0.00 N ATOM 181 CA LEU A 136 11.497 -19.038 -1.197 1.00 0.00 C ATOM 182 C LEU A 136 12.296 -17.911 -0.548 1.00 0.00 C ATOM 183 O LEU A 136 12.786 -18.052 0.572 1.00 0.00 O ATOM 184 CB LEU A 136 12.412 -19.844 -2.122 1.00 0.00 C ATOM 185 CG LEU A 136 13.212 -20.851 -1.295 1.00 0.00 C ATOM 186 CD1 LEU A 136 12.460 -22.181 -1.239 1.00 0.00 C ATOM 187 CD2 LEU A 136 14.581 -21.069 -1.946 1.00 0.00 C ATOM 0 H LEU A 136 10.407 -18.689 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 136 11.106 -19.685 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.819 -20.364 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 136 13.088 -19.176 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 136 13.344 -20.466 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 136 13.032 -22.898 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 136 11.484 -22.028 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.327 -22.567 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 136 15.153 -21.787 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 136 14.446 -21.454 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 136 15.119 -20.122 -1.987 1.00 0.00 H new ATOM 199 N ILE A 137 12.427 -16.794 -1.257 1.00 0.00 N ATOM 200 CA ILE A 137 13.173 -15.655 -0.733 1.00 0.00 C ATOM 201 C ILE A 137 12.445 -15.038 0.457 1.00 0.00 C ATOM 202 O ILE A 137 13.059 -14.391 1.307 1.00 0.00 O ATOM 203 CB ILE A 137 13.362 -14.601 -1.827 1.00 0.00 C ATOM 204 CG1 ILE A 137 12.146 -13.667 -1.858 1.00 0.00 C ATOM 205 CG2 ILE A 137 13.503 -15.294 -3.184 1.00 0.00 C ATOM 206 CD1 ILE A 137 12.084 -12.958 -3.211 1.00 0.00 C ATOM 0 H ILE A 137 12.031 -16.653 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 137 14.150 -16.008 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 137 14.261 -14.021 -1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 137 11.232 -14.237 -1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 137 12.216 -12.934 -1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 137 13.638 -14.544 -3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 137 14.368 -15.957 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 137 12.604 -15.875 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 137 11.220 -12.294 -3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 137 12.994 -12.376 -3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 137 11.994 -13.698 -4.006 1.00 0.00 H new ATOM 218 N ALA A 138 11.133 -15.241 0.512 1.00 0.00 N ATOM 219 CA ALA A 138 10.330 -14.700 1.604 1.00 0.00 C ATOM 220 C ALA A 138 10.870 -15.168 2.950 1.00 0.00 C ATOM 221 O ALA A 138 10.996 -14.381 3.888 1.00 0.00 O ATOM 222 CB ALA A 138 8.875 -15.145 1.451 1.00 0.00 C ATOM 0 H ALA A 138 10.606 -15.772 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 138 10.383 -13.612 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 138 8.282 -14.737 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 138 8.481 -14.782 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 138 8.823 -16.234 1.472 1.00 0.00 H new ATOM 228 N GLY A 139 11.190 -16.456 3.037 1.00 0.00 N ATOM 229 CA GLY A 139 11.715 -17.019 4.276 1.00 0.00 C ATOM 230 C GLY A 139 13.151 -16.565 4.515 1.00 0.00 C ATOM 231 O GLY A 139 13.585 -16.425 5.658 1.00 0.00 O ATOM 0 H GLY A 139 11.096 -17.124 2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 139 11.088 -16.712 5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 139 11.676 -18.107 4.231 1.00 0.00 H new ATOM 235 N CYS A 140 13.882 -16.336 3.430 1.00 0.00 N ATOM 236 CA CYS A 140 15.269 -15.898 3.534 1.00 0.00 C ATOM 237 C CYS A 140 15.347 -14.507 4.155 1.00 0.00 C ATOM 238 O CYS A 140 16.257 -14.211 4.928 1.00 0.00 O ATOM 239 CB CYS A 140 15.917 -15.878 2.148 1.00 0.00 C ATOM 240 SG CYS A 140 17.676 -16.274 2.298 1.00 0.00 S ATOM 0 H CYS A 140 13.541 -16.445 2.475 1.00 0.00 H new ATOM 0 HA CYS A 140 15.804 -16.599 4.174 1.00 0.00 H new ATOM 0 HB2 CYS A 140 15.426 -16.599 1.495 1.00 0.00 H new ATOM 0 HB3 CYS A 140 15.792 -14.897 1.691 1.00 0.00 H new ATOM 0 HG CYS A 140 18.226 -16.259 1.120 1.00 0.00 H new ATOM 246 N ILE A 141 14.385 -13.656 3.810 1.00 0.00 N ATOM 247 CA ILE A 141 14.354 -12.297 4.339 1.00 0.00 C ATOM 248 C ILE A 141 14.151 -12.316 5.851 1.00 0.00 C ATOM 249 O ILE A 141 14.769 -11.541 6.579 1.00 0.00 O ATOM 250 CB ILE A 141 13.225 -11.505 3.679 1.00 0.00 C ATOM 251 CG1 ILE A 141 13.595 -11.205 2.225 1.00 0.00 C ATOM 252 CG2 ILE A 141 13.014 -10.192 4.433 1.00 0.00 C ATOM 253 CD1 ILE A 141 12.340 -10.809 1.449 1.00 0.00 C ATOM 0 H ILE A 141 13.622 -13.881 3.171 1.00 0.00 H new ATOM 0 HA ILE A 141 15.308 -11.819 4.118 1.00 0.00 H new ATOM 0 HB ILE A 141 12.306 -12.091 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 141 14.329 -10.400 2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 141 14.056 -12.081 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 141 12.209 -9.627 3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 141 12.750 -10.406 5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 141 13.932 -9.605 4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 141 12.605 -10.596 0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 141 11.621 -11.627 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 141 11.898 -9.921 1.901 1.00 0.00 H new ATOM 265 N THR A 142 13.279 -13.206 6.315 1.00 0.00 N ATOM 266 CA THR A 142 13.001 -13.316 7.742 1.00 0.00 C ATOM 267 C THR A 142 14.268 -13.684 8.509 1.00 0.00 C ATOM 268 O THR A 142 14.419 -13.340 9.680 1.00 0.00 O ATOM 269 CB THR A 142 11.928 -14.378 7.985 1.00 0.00 C ATOM 270 OG1 THR A 142 11.609 -15.016 6.755 1.00 0.00 O ATOM 271 CG2 THR A 142 10.674 -13.718 8.561 1.00 0.00 C ATOM 0 H THR A 142 12.757 -13.857 5.728 1.00 0.00 H new ATOM 0 HA THR A 142 12.643 -12.350 8.098 1.00 0.00 H new ATOM 0 HB THR A 142 12.302 -15.118 8.692 1.00 0.00 H new ATOM 0 HG1 THR A 142 12.216 -15.772 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 142 9.910 -14.476 8.734 1.00 0.00 H new ATOM 0 HG22 THR A 142 10.920 -13.230 9.504 1.00 0.00 H new ATOM 0 HG23 THR A 142 10.297 -12.977 7.856 1.00 0.00 H new ATOM 279 N SER A 143 15.176 -14.387 7.838 1.00 0.00 N ATOM 280 CA SER A 143 16.425 -14.798 8.467 1.00 0.00 C ATOM 281 C SER A 143 17.562 -13.864 8.062 1.00 0.00 C ATOM 282 O SER A 143 17.417 -13.057 7.143 1.00 0.00 O ATOM 283 CB SER A 143 16.771 -16.230 8.055 1.00 0.00 C ATOM 284 OG SER A 143 17.190 -16.958 9.202 1.00 0.00 O ATOM 0 H SER A 143 15.071 -14.681 6.867 1.00 0.00 H new ATOM 0 HA SER A 143 16.297 -14.751 9.548 1.00 0.00 H new ATOM 0 HB2 SER A 143 15.904 -16.710 7.601 1.00 0.00 H new ATOM 0 HB3 SER A 143 17.561 -16.224 7.304 1.00 0.00 H new ATOM 0 HG SER A 143 17.411 -17.877 8.943 1.00 0.00 H new ATOM 290 N THR A 144 18.690 -13.977 8.755 1.00 0.00 N ATOM 291 CA THR A 144 19.844 -13.136 8.458 1.00 0.00 C ATOM 292 C THR A 144 20.057 -13.030 6.951 1.00 0.00 C ATOM 293 O THR A 144 19.459 -13.777 6.177 1.00 0.00 O ATOM 294 CB THR A 144 21.098 -13.719 9.115 1.00 0.00 C ATOM 295 OG1 THR A 144 21.558 -14.826 8.351 1.00 0.00 O ATOM 296 CG2 THR A 144 20.767 -14.178 10.535 1.00 0.00 C ATOM 0 H THR A 144 18.830 -14.637 9.520 1.00 0.00 H new ATOM 0 HA THR A 144 19.656 -12.139 8.857 1.00 0.00 H new ATOM 0 HB THR A 144 21.876 -12.956 9.156 1.00 0.00 H new ATOM 0 HG1 THR A 144 22.362 -15.200 8.768 1.00 0.00 H new ATOM 0 HG21 THR A 144 21.661 -14.593 11.001 1.00 0.00 H new ATOM 0 HG22 THR A 144 20.414 -13.328 11.119 1.00 0.00 H new ATOM 0 HG23 THR A 144 19.989 -14.941 10.499 1.00 0.00 H new ATOM 304 N ASP A 145 20.914 -12.100 6.543 1.00 0.00 N ATOM 305 CA ASP A 145 21.199 -11.907 5.126 1.00 0.00 C ATOM 306 C ASP A 145 22.358 -12.801 4.689 1.00 0.00 C ATOM 307 O ASP A 145 23.132 -13.277 5.520 1.00 0.00 O ATOM 308 CB ASP A 145 21.550 -10.441 4.862 1.00 0.00 C ATOM 309 CG ASP A 145 20.423 -9.767 4.088 1.00 0.00 C ATOM 310 OD1 ASP A 145 19.277 -9.968 4.452 1.00 0.00 O ATOM 311 OD2 ASP A 145 20.723 -9.057 3.141 1.00 0.00 O1- ATOM 0 H ASP A 145 21.420 -11.472 7.168 1.00 0.00 H new ATOM 0 HA ASP A 145 20.312 -12.176 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 145 21.715 -9.922 5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 145 22.480 -10.377 4.297 1.00 0.00 H new ATOM 316 N PRO A 146 22.492 -13.035 3.408 1.00 0.00 N ATOM 317 CA PRO A 146 23.585 -13.892 2.859 1.00 0.00 C ATOM 318 C PRO A 146 24.955 -13.235 3.001 1.00 0.00 C ATOM 319 O PRO A 146 25.058 -12.016 3.150 1.00 0.00 O ATOM 320 CB PRO A 146 23.213 -14.065 1.385 1.00 0.00 C ATOM 321 CG PRO A 146 22.341 -12.901 1.053 1.00 0.00 C ATOM 322 CD PRO A 146 21.620 -12.513 2.343 1.00 0.00 C ATOM 0 HA PRO A 146 23.667 -14.839 3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 146 24.103 -14.081 0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 146 22.689 -15.007 1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 146 22.934 -12.068 0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 146 21.626 -13.163 0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 146 21.496 -11.433 2.422 1.00 0.00 H new ATOM 0 HD3 PRO A 146 20.624 -12.952 2.391 1.00 0.00 H new ATOM 330 N VAL A 147 26.005 -14.049 2.952 1.00 0.00 N ATOM 331 CA VAL A 147 27.364 -13.535 3.077 1.00 0.00 C ATOM 332 C VAL A 147 27.985 -13.326 1.700 1.00 0.00 C ATOM 333 O VAL A 147 28.527 -14.257 1.104 1.00 0.00 O ATOM 334 CB VAL A 147 28.220 -14.514 3.881 1.00 0.00 C ATOM 335 CG1 VAL A 147 29.621 -13.931 4.073 1.00 0.00 C ATOM 336 CG2 VAL A 147 27.576 -14.750 5.249 1.00 0.00 C ATOM 0 H VAL A 147 25.942 -15.059 2.828 1.00 0.00 H new ATOM 0 HA VAL A 147 27.325 -12.577 3.595 1.00 0.00 H new ATOM 0 HB VAL A 147 28.291 -15.459 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 147 30.230 -14.630 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 147 30.081 -13.762 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 147 29.551 -12.985 4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 147 28.186 -15.448 5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 147 27.505 -13.804 5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 147 26.578 -15.166 5.114 1.00 0.00 H new ATOM 346 N LEU A 148 27.903 -12.097 1.200 1.00 0.00 N ATOM 347 CA LEU A 148 28.461 -11.777 -0.110 1.00 0.00 C ATOM 348 C LEU A 148 29.985 -11.833 -0.070 1.00 0.00 C ATOM 349 O LEU A 148 30.632 -12.107 -1.081 1.00 0.00 O ATOM 350 CB LEU A 148 28.011 -10.379 -0.541 1.00 0.00 C ATOM 351 CG LEU A 148 28.275 -10.197 -2.037 1.00 0.00 C ATOM 352 CD1 LEU A 148 26.991 -10.474 -2.819 1.00 0.00 C ATOM 353 CD2 LEU A 148 28.733 -8.762 -2.301 1.00 0.00 C ATOM 0 H LEU A 148 27.460 -11.312 1.677 1.00 0.00 H new ATOM 0 HA LEU A 148 28.100 -12.513 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 148 26.950 -10.245 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 148 28.548 -9.621 0.029 1.00 0.00 H new ATOM 0 HG LEU A 148 29.051 -10.892 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 148 27.179 -10.344 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 148 26.663 -11.496 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 148 26.214 -9.779 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 148 28.922 -8.630 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 148 27.956 -8.067 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 148 29.648 -8.564 -1.743 1.00 0.00 H new ATOM 365 N SER A 149 30.553 -11.571 1.103 1.00 0.00 N ATOM 366 CA SER A 149 32.002 -11.595 1.263 1.00 0.00 C ATOM 367 C SER A 149 32.566 -12.945 0.830 1.00 0.00 C ATOM 368 O SER A 149 33.754 -13.063 0.527 1.00 0.00 O ATOM 369 CB SER A 149 32.370 -11.330 2.722 1.00 0.00 C ATOM 370 OG SER A 149 33.731 -11.687 2.935 1.00 0.00 O ATOM 0 H SER A 149 30.036 -11.341 1.951 1.00 0.00 H new ATOM 0 HA SER A 149 32.432 -10.816 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 149 32.216 -10.278 2.963 1.00 0.00 H new ATOM 0 HB3 SER A 149 31.723 -11.907 3.383 1.00 0.00 H new ATOM 0 HG SER A 149 33.971 -11.517 3.870 1.00 0.00 H new ATOM 376 N ALA A 150 31.707 -13.959 0.802 1.00 0.00 N ATOM 377 CA ALA A 150 32.131 -15.295 0.405 1.00 0.00 C ATOM 378 C ALA A 150 32.538 -15.314 -1.066 1.00 0.00 C ATOM 379 O ALA A 150 33.441 -16.051 -1.462 1.00 0.00 O ATOM 380 CB ALA A 150 30.997 -16.295 0.635 1.00 0.00 C ATOM 0 H ALA A 150 30.720 -13.881 1.048 1.00 0.00 H new ATOM 0 HA ALA A 150 32.991 -15.577 1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 150 31.324 -17.291 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 150 30.728 -16.304 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 150 30.130 -16.004 0.043 1.00 0.00 H new ATOM 386 N LEU A 151 31.864 -14.500 -1.871 1.00 0.00 N ATOM 387 CA LEU A 151 32.162 -14.432 -3.297 1.00 0.00 C ATOM 388 C LEU A 151 33.519 -13.773 -3.527 1.00 0.00 C ATOM 389 O LEU A 151 34.162 -13.996 -4.553 1.00 0.00 O ATOM 390 CB LEU A 151 31.075 -13.630 -4.021 1.00 0.00 C ATOM 391 CG LEU A 151 30.106 -14.580 -4.735 1.00 0.00 C ATOM 392 CD1 LEU A 151 30.817 -15.279 -5.898 1.00 0.00 C ATOM 393 CD2 LEU A 151 29.596 -15.630 -3.744 1.00 0.00 C ATOM 0 H LEU A 151 31.113 -13.882 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 151 32.189 -15.447 -3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 151 30.531 -13.013 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 151 31.532 -12.954 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 151 29.266 -14.005 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 151 30.121 -15.952 -6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 151 31.174 -14.533 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 151 31.663 -15.851 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 151 28.907 -16.305 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 151 30.439 -16.199 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 151 29.079 -15.134 -2.923 1.00 0.00 H new ATOM 405 N ILE A 152 33.946 -12.959 -2.566 1.00 0.00 N ATOM 406 CA ILE A 152 35.230 -12.273 -2.676 1.00 0.00 C ATOM 407 C ILE A 152 36.380 -13.261 -2.511 1.00 0.00 C ATOM 408 O ILE A 152 37.109 -13.543 -3.461 1.00 0.00 O ATOM 409 CB ILE A 152 35.333 -11.184 -1.607 1.00 0.00 C ATOM 410 CG1 ILE A 152 34.209 -10.157 -1.808 1.00 0.00 C ATOM 411 CG2 ILE A 152 36.696 -10.495 -1.705 1.00 0.00 C ATOM 412 CD1 ILE A 152 34.664 -9.051 -2.766 1.00 0.00 C ATOM 0 H ILE A 152 33.428 -12.759 -1.710 1.00 0.00 H new ATOM 0 HA ILE A 152 35.295 -11.818 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 152 35.232 -11.634 -0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 152 33.323 -10.651 -2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 152 33.928 -9.723 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 152 36.767 -9.719 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 152 37.487 -11.229 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 152 36.806 -10.045 -2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 152 33.857 -8.330 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 152 35.537 -8.546 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 152 34.922 -9.488 -3.730 1.00 0.00 H new ATOM 424 N VAL A 153 36.536 -13.782 -1.298 1.00 0.00 N ATOM 425 CA VAL A 153 37.604 -14.736 -1.019 1.00 0.00 C ATOM 426 C VAL A 153 38.947 -14.194 -1.498 1.00 0.00 C ATOM 427 O VAL A 153 39.311 -14.364 -2.663 1.00 0.00 O ATOM 428 CB VAL A 153 37.309 -16.065 -1.718 1.00 0.00 C ATOM 429 CG1 VAL A 153 38.556 -16.950 -1.676 1.00 0.00 C ATOM 430 CG2 VAL A 153 36.158 -16.773 -0.999 1.00 0.00 C ATOM 0 H VAL A 153 35.942 -13.562 -0.498 1.00 0.00 H new ATOM 0 HA VAL A 153 37.654 -14.894 0.058 1.00 0.00 H new ATOM 0 HB VAL A 153 37.031 -15.877 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 153 38.347 -17.897 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 153 39.377 -16.446 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 153 38.834 -17.139 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 153 35.946 -17.720 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 153 36.438 -16.961 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 153 35.269 -16.143 -1.026 1.00 0.00 H new ATOM 440 N GLY A 154 39.672 -13.544 -0.588 1.00 0.00 N ATOM 441 CA GLY A 154 40.979 -12.970 -0.906 1.00 0.00 C ATOM 442 C GLY A 154 41.038 -12.480 -2.351 1.00 0.00 C ATOM 443 O GLY A 154 40.039 -12.018 -2.901 1.00 0.00 O ATOM 0 H GLY A 154 39.375 -13.402 0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 154 41.187 -12.140 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 154 41.755 -13.717 -0.742 1.00 0.00 H new TER 447 GLY A 154