USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 345 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 Set 1.1: A 16 GLN : amide:sc= -1.97 K(o=-3.2,f=-1) USER MOD Set 1.2: A 19 MET CE :methyl -173:sc= -1.22 (180deg=-0.32) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.169 (180deg=-0.674) USER MOD Single : A 5 THR OG1 : rot -7:sc= 0.318 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 115:sc= 1.03 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 73:sc= 0.298 USER MOD Single : A 42 MET CE :methyl 166:sc=-0.00998 (180deg=-0.253) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.639 -50.989 65.472 1.00 0.00 N ATOM 2 CA GLY A 1 -5.618 -52.056 65.515 1.00 0.00 C ATOM 3 C GLY A 1 -6.621 -51.886 64.385 1.00 0.00 C ATOM 4 O GLY A 1 -6.532 -50.946 63.598 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.683 -51.391 65.552 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.724 -50.476 64.571 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.806 -50.333 66.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.120 -53.022 65.428 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.134 -52.049 66.475 1.00 0.00 H new ATOM 8 N VAL A 2 -7.575 -52.811 64.320 1.00 0.00 N ATOM 9 CA VAL A 2 -8.613 -52.790 63.294 1.00 0.00 C ATOM 10 C VAL A 2 -9.567 -51.629 63.525 1.00 0.00 C ATOM 11 O VAL A 2 -9.943 -50.920 62.593 1.00 0.00 O ATOM 12 CB VAL A 2 -9.439 -54.090 63.300 1.00 0.00 C ATOM 13 CG1 VAL A 2 -10.626 -53.971 62.356 1.00 0.00 C ATOM 14 CG2 VAL A 2 -8.585 -55.266 62.853 1.00 0.00 C ATOM 0 H VAL A 2 -7.650 -53.591 64.973 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.107 -52.684 62.334 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.791 -54.255 64.318 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.199 -54.898 62.373 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.263 -53.146 62.674 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.268 -53.784 61.344 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.185 -56.176 62.863 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.217 -55.085 61.843 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.740 -55.381 63.532 1.00 0.00 H new ATOM 24 N ILE A 3 -9.954 -51.446 64.784 1.00 0.00 N ATOM 25 CA ILE A 3 -10.867 -50.375 65.171 1.00 0.00 C ATOM 26 C ILE A 3 -10.215 -49.018 64.963 1.00 0.00 C ATOM 27 O ILE A 3 -10.855 -48.066 64.519 1.00 0.00 O ATOM 28 CB ILE A 3 -11.269 -50.484 66.654 1.00 0.00 C ATOM 29 CG1 ILE A 3 -12.114 -51.739 66.886 1.00 0.00 C ATOM 30 CG2 ILE A 3 -12.082 -49.270 67.076 1.00 0.00 C ATOM 31 CD1 ILE A 3 -12.346 -52.057 68.347 1.00 0.00 C ATOM 0 H ILE A 3 -9.646 -52.032 65.560 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.754 -50.474 64.545 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.355 -50.538 67.245 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -13.078 -51.613 66.394 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.623 -52.589 66.412 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.357 -49.364 68.126 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.487 -48.367 66.936 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.985 -49.208 66.468 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -12.952 -52.959 68.431 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.388 -52.216 68.841 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.865 -51.225 68.822 1.00 0.00 H new ATOM 43 N ASP A 4 -8.929 -48.942 65.291 1.00 0.00 N ATOM 44 CA ASP A 4 -8.159 -47.710 65.151 1.00 0.00 C ATOM 45 C ASP A 4 -8.306 -47.147 63.746 1.00 0.00 C ATOM 46 O ASP A 4 -8.435 -45.939 63.555 1.00 0.00 O ATOM 47 CB ASP A 4 -6.675 -47.973 65.414 1.00 0.00 C ATOM 48 CG ASP A 4 -6.381 -48.244 66.876 1.00 0.00 C ATOM 49 OD1 ASP A 4 -5.188 -48.326 67.237 1.00 0.00 O ATOM 50 OD2 ASP A 4 -7.344 -48.374 67.661 1.00 0.00 O ATOM 0 H ASP A 4 -8.393 -49.728 65.659 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.542 -46.994 65.878 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.350 -48.826 64.818 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.093 -47.112 65.084 1.00 0.00 H new ATOM 56 N THR A 5 -8.285 -48.044 62.763 1.00 0.00 N ATOM 57 CA THR A 5 -8.413 -47.665 61.359 1.00 0.00 C ATOM 58 C THR A 5 -9.861 -47.778 60.908 1.00 0.00 C ATOM 59 O THR A 5 -10.195 -47.483 59.762 1.00 0.00 O ATOM 60 CB THR A 5 -7.561 -48.571 60.450 1.00 0.00 C ATOM 61 OG1 THR A 5 -8.011 -49.926 60.565 1.00 0.00 O ATOM 62 CG2 THR A 5 -6.096 -48.502 60.852 1.00 0.00 C ATOM 0 H THR A 5 -8.180 -49.047 62.916 1.00 0.00 H new ATOM 0 HA THR A 5 -8.065 -46.635 61.275 1.00 0.00 H new ATOM 0 HB THR A 5 -7.667 -48.227 59.421 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.679 -49.989 61.280 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.509 -49.148 60.199 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.742 -47.475 60.761 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.986 -48.833 61.885 1.00 0.00 H new ATOM 70 N SER A 6 -10.717 -48.211 61.829 1.00 0.00 N ATOM 71 CA SER A 6 -12.141 -48.374 61.553 1.00 0.00 C ATOM 72 C SER A 6 -12.701 -47.130 60.881 1.00 0.00 C ATOM 73 O SER A 6 -13.213 -47.186 59.764 1.00 0.00 O ATOM 74 CB SER A 6 -12.915 -48.611 62.851 1.00 0.00 C ATOM 75 OG SER A 6 -14.301 -48.762 62.599 1.00 0.00 O ATOM 0 H SER A 6 -10.446 -48.457 62.781 1.00 0.00 H new ATOM 0 HA SER A 6 -12.253 -49.233 60.892 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.533 -49.503 63.348 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.755 -47.774 63.531 1.00 0.00 H new ATOM 0 HG SER A 6 -14.773 -48.914 63.445 1.00 0.00 H new ATOM 81 N ALA A 7 -12.595 -46.004 61.580 1.00 0.00 N ATOM 82 CA ALA A 7 -13.083 -44.724 61.074 1.00 0.00 C ATOM 83 C ALA A 7 -12.378 -44.360 59.777 1.00 0.00 C ATOM 84 O ALA A 7 -12.997 -43.874 58.831 1.00 0.00 O ATOM 85 CB ALA A 7 -12.826 -43.620 62.088 1.00 0.00 C ATOM 0 H ALA A 7 -12.172 -45.952 62.507 1.00 0.00 H new ATOM 0 HA ALA A 7 -14.154 -44.822 60.897 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -13.195 -42.673 61.696 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -13.343 -43.854 63.019 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.755 -43.542 62.277 1.00 0.00 H new ATOM 91 N VAL A 8 -11.071 -44.603 59.746 1.00 0.00 N ATOM 92 CA VAL A 8 -10.251 -44.311 58.574 1.00 0.00 C ATOM 93 C VAL A 8 -10.700 -45.148 57.388 1.00 0.00 C ATOM 94 O VAL A 8 -10.777 -44.663 56.260 1.00 0.00 O ATOM 95 CB VAL A 8 -8.765 -44.618 58.834 1.00 0.00 C ATOM 96 CG1 VAL A 8 -7.964 -44.508 57.546 1.00 0.00 C ATOM 97 CG2 VAL A 8 -8.187 -43.639 59.844 1.00 0.00 C ATOM 0 H VAL A 8 -10.553 -45.005 60.527 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.372 -43.249 58.360 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.700 -45.634 59.224 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.916 -44.728 57.749 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.349 -45.220 56.816 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.052 -43.497 57.148 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.136 -43.871 60.015 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.276 -42.623 59.458 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.734 -43.720 60.783 1.00 0.00 H new ATOM 107 N GLU A 9 -10.997 -46.416 57.658 1.00 0.00 N ATOM 108 CA GLU A 9 -11.444 -47.349 56.628 1.00 0.00 C ATOM 109 C GLU A 9 -12.686 -46.818 55.931 1.00 0.00 C ATOM 110 O GLU A 9 -12.840 -46.950 54.718 1.00 0.00 O ATOM 111 CB GLU A 9 -11.780 -48.708 57.245 1.00 0.00 C ATOM 112 CG GLU A 9 -12.189 -49.765 56.233 1.00 0.00 C ATOM 113 CD GLU A 9 -12.465 -51.111 56.875 1.00 0.00 C ATOM 114 OE1 GLU A 9 -12.338 -51.215 58.113 1.00 0.00 O ATOM 115 OE2 GLU A 9 -12.808 -52.061 56.140 1.00 0.00 O ATOM 0 H GLU A 9 -10.935 -46.824 58.591 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.634 -47.460 55.907 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.913 -49.067 57.799 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.588 -48.578 57.965 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.081 -49.430 55.703 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.399 -49.876 55.490 1.00 0.00 H new ATOM 123 N SER A 10 -13.572 -46.214 56.717 1.00 0.00 N ATOM 124 CA SER A 10 -14.816 -45.649 56.201 1.00 0.00 C ATOM 125 C SER A 10 -14.569 -44.276 55.600 1.00 0.00 C ATOM 126 O SER A 10 -15.009 -43.978 54.491 1.00 0.00 O ATOM 127 CB SER A 10 -15.846 -45.507 57.323 1.00 0.00 C ATOM 128 OG SER A 10 -16.205 -46.772 57.850 1.00 0.00 O ATOM 0 H SER A 10 -13.450 -46.102 57.724 1.00 0.00 H new ATOM 0 HA SER A 10 -15.194 -46.325 55.434 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.439 -44.881 58.117 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.734 -45.003 56.943 1.00 0.00 H new ATOM 0 HG SER A 10 -16.863 -46.653 58.566 1.00 0.00 H new ATOM 134 N ALA A 11 -13.856 -43.440 56.351 1.00 0.00 N ATOM 135 CA ALA A 11 -13.532 -42.084 55.916 1.00 0.00 C ATOM 136 C ALA A 11 -12.595 -42.118 54.720 1.00 0.00 C ATOM 137 O ALA A 11 -12.721 -41.322 53.791 1.00 0.00 O ATOM 138 CB ALA A 11 -12.852 -41.315 57.039 1.00 0.00 C ATOM 0 H ALA A 11 -13.489 -43.681 57.272 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.464 -41.591 55.640 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.617 -40.306 56.699 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.519 -41.262 57.899 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.932 -41.825 57.324 1.00 0.00 H new ATOM 144 N ILE A 12 -11.650 -43.053 54.756 1.00 0.00 N ATOM 145 CA ILE A 12 -10.673 -43.217 53.685 1.00 0.00 C ATOM 146 C ILE A 12 -11.353 -43.693 52.412 1.00 0.00 C ATOM 147 O ILE A 12 -11.100 -43.177 51.324 1.00 0.00 O ATOM 148 CB ILE A 12 -9.593 -44.249 54.059 1.00 0.00 C ATOM 149 CG1 ILE A 12 -8.736 -43.729 55.215 1.00 0.00 C ATOM 150 CG2 ILE A 12 -8.685 -44.525 52.871 1.00 0.00 C ATOM 151 CD1 ILE A 12 -8.001 -42.445 54.899 1.00 0.00 C ATOM 0 H ILE A 12 -11.540 -43.715 55.524 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.208 -42.243 53.529 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.098 -45.168 54.357 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.374 -43.567 56.084 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.010 -44.494 55.490 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.928 -45.256 53.154 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.277 -44.917 52.044 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.198 -43.600 52.562 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.415 -42.138 55.766 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.336 -42.606 54.050 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.721 -41.665 54.653 1.00 0.00 H new ATOM 163 N THR A 13 -12.223 -44.688 52.563 1.00 0.00 N ATOM 164 CA THR A 13 -12.959 -45.258 51.438 1.00 0.00 C ATOM 165 C THR A 13 -13.892 -44.222 50.832 1.00 0.00 C ATOM 166 O THR A 13 -14.008 -44.107 49.613 1.00 0.00 O ATOM 167 CB THR A 13 -13.811 -46.465 51.874 1.00 0.00 C ATOM 168 OG1 THR A 13 -12.957 -47.498 52.381 1.00 0.00 O ATOM 169 CG2 THR A 13 -14.601 -47.012 50.696 1.00 0.00 C ATOM 0 H THR A 13 -12.437 -45.120 53.462 1.00 0.00 H new ATOM 0 HA THR A 13 -12.218 -45.580 50.706 1.00 0.00 H new ATOM 0 HB THR A 13 -14.504 -46.138 52.649 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.138 -47.633 53.335 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.197 -47.864 51.022 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.260 -46.235 50.308 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.913 -47.329 49.912 1.00 0.00 H new ATOM 177 N ASP A 14 -14.558 -43.468 51.703 1.00 0.00 N ATOM 178 CA ASP A 14 -15.492 -42.429 51.281 1.00 0.00 C ATOM 179 C ASP A 14 -14.747 -41.281 50.620 1.00 0.00 C ATOM 180 O ASP A 14 -15.101 -40.839 49.528 1.00 0.00 O ATOM 181 CB ASP A 14 -16.260 -41.878 52.484 1.00 0.00 C ATOM 182 CG ASP A 14 -17.268 -42.868 53.034 1.00 0.00 C ATOM 183 OD1 ASP A 14 -18.051 -42.484 53.929 1.00 0.00 O ATOM 184 OD2 ASP A 14 -17.276 -44.028 52.571 1.00 0.00 O ATOM 0 H ASP A 14 -14.466 -43.559 52.715 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.188 -42.876 50.571 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.554 -41.610 53.270 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -16.776 -40.963 52.193 1.00 0.00 H new ATOM 190 N GLY A 15 -13.708 -40.804 51.298 1.00 0.00 N ATOM 191 CA GLY A 15 -12.890 -39.702 50.798 1.00 0.00 C ATOM 192 C GLY A 15 -11.843 -40.216 49.823 1.00 0.00 C ATOM 193 O GLY A 15 -11.894 -39.933 48.627 1.00 0.00 O ATOM 0 H GLY A 15 -13.410 -41.167 52.204 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.524 -38.965 50.305 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.402 -39.196 51.631 1.00 0.00 H new ATOM 197 N GLN A 16 -10.889 -40.976 50.352 1.00 0.00 N ATOM 198 CA GLN A 16 -9.812 -41.547 49.550 1.00 0.00 C ATOM 199 C GLN A 16 -10.373 -42.225 48.310 1.00 0.00 C ATOM 200 O GLN A 16 -9.974 -41.926 47.186 1.00 0.00 O ATOM 201 CB GLN A 16 -9.035 -42.587 50.359 1.00 0.00 C ATOM 202 CG GLN A 16 -7.863 -43.204 49.614 1.00 0.00 C ATOM 203 CD GLN A 16 -6.782 -42.193 49.286 1.00 0.00 C ATOM 204 OE1 GLN A 16 -6.270 -41.508 50.171 1.00 0.00 O ATOM 205 NE2 GLN A 16 -6.433 -42.096 48.008 1.00 0.00 N ATOM 0 H GLN A 16 -10.840 -41.212 51.343 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.148 -40.733 49.259 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.666 -42.120 51.272 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.718 -43.381 50.661 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.435 -44.005 50.217 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.223 -43.658 48.691 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.886 -42.685 47.310 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.712 -41.432 47.725 1.00 0.00 H new ATOM 214 N GLY A 17 -11.307 -43.146 48.532 1.00 0.00 N ATOM 215 CA GLY A 17 -11.944 -43.887 47.447 1.00 0.00 C ATOM 216 C GLY A 17 -12.466 -42.932 46.385 1.00 0.00 C ATOM 217 O GLY A 17 -12.248 -43.129 45.191 1.00 0.00 O ATOM 0 H GLY A 17 -11.642 -43.398 49.462 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.229 -44.579 47.002 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.765 -44.486 47.841 1.00 0.00 H new ATOM 221 N ASP A 18 -13.159 -41.892 46.838 1.00 0.00 N ATOM 222 CA ASP A 18 -13.728 -40.885 45.946 1.00 0.00 C ATOM 223 C ASP A 18 -12.644 -40.282 45.067 1.00 0.00 C ATOM 224 O ASP A 18 -12.929 -39.614 44.074 1.00 0.00 O ATOM 225 CB ASP A 18 -14.379 -39.760 46.754 1.00 0.00 C ATOM 226 CG ASP A 18 -15.651 -40.203 47.448 1.00 0.00 C ATOM 227 OD1 ASP A 18 -16.607 -39.401 47.504 1.00 0.00 O ATOM 228 OD2 ASP A 18 -15.693 -41.351 47.937 1.00 0.00 O ATOM 0 H ASP A 18 -13.342 -41.723 47.827 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.478 -41.375 45.325 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.671 -39.396 47.498 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.603 -38.924 46.091 1.00 0.00 H new ATOM 234 N MET A 19 -11.393 -40.526 45.446 1.00 0.00 N ATOM 235 CA MET A 19 -10.241 -40.017 44.709 1.00 0.00 C ATOM 236 C MET A 19 -10.185 -40.629 43.319 1.00 0.00 C ATOM 237 O MET A 19 -9.916 -39.945 42.333 1.00 0.00 O ATOM 238 CB MET A 19 -8.942 -40.361 45.441 1.00 0.00 C ATOM 239 CG MET A 19 -7.692 -39.795 44.786 1.00 0.00 C ATOM 240 SD MET A 19 -6.187 -40.210 45.687 1.00 0.00 S ATOM 241 CE MET A 19 -6.392 -39.220 47.165 1.00 0.00 C ATOM 0 H MET A 19 -11.150 -41.079 46.268 1.00 0.00 H new ATOM 0 HA MET A 19 -10.348 -38.935 44.633 1.00 0.00 H new ATOM 0 HB2 MET A 19 -9.004 -39.988 46.463 1.00 0.00 H new ATOM 0 HB3 MET A 19 -8.848 -41.445 45.502 1.00 0.00 H new ATOM 0 HG2 MET A 19 -7.617 -40.174 43.767 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.782 -38.711 44.717 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.484 -39.272 47.766 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.584 -38.184 46.885 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.233 -39.601 47.744 1.00 0.00 H new ATOM 251 N LYS A 20 -10.444 -41.932 43.254 1.00 0.00 N ATOM 252 CA LYS A 20 -10.431 -42.668 41.993 1.00 0.00 C ATOM 253 C LYS A 20 -11.417 -42.057 41.010 1.00 0.00 C ATOM 254 O LYS A 20 -11.128 -41.918 39.823 1.00 0.00 O ATOM 255 CB LYS A 20 -10.819 -44.130 42.222 1.00 0.00 C ATOM 256 CG LYS A 20 -10.772 -44.989 40.968 1.00 0.00 C ATOM 257 CD LYS A 20 -11.113 -46.437 41.278 1.00 0.00 C ATOM 258 CE LYS A 20 -11.080 -47.292 40.022 1.00 0.00 C ATOM 259 NZ LYS A 20 -11.401 -48.717 40.312 1.00 0.00 N ATOM 0 H LYS A 20 -10.667 -42.505 44.068 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.421 -42.613 41.586 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.151 -44.559 42.969 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.826 -44.167 42.637 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.473 -44.598 40.230 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.778 -44.934 40.524 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.406 -46.831 42.008 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.103 -46.491 41.732 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.793 -46.900 39.297 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.092 -47.228 39.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.368 -49.267 39.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.706 -49.099 40.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.354 -48.781 40.725 1.00 0.00 H new ATOM 273 N ALA A 21 -12.590 -41.693 41.523 1.00 0.00 N ATOM 274 CA ALA A 21 -13.644 -41.092 40.711 1.00 0.00 C ATOM 275 C ALA A 21 -13.234 -39.702 40.253 1.00 0.00 C ATOM 276 O ALA A 21 -13.461 -39.317 39.107 1.00 0.00 O ATOM 277 CB ALA A 21 -14.931 -40.976 41.514 1.00 0.00 C ATOM 0 H ALA A 21 -12.835 -41.805 42.507 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.805 -41.733 39.844 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -15.707 -40.526 40.895 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.251 -41.968 41.833 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.758 -40.351 42.390 1.00 0.00 H new ATOM 283 N ILE A 22 -12.626 -38.951 41.168 1.00 0.00 N ATOM 284 CA ILE A 22 -12.173 -37.592 40.885 1.00 0.00 C ATOM 285 C ILE A 22 -11.085 -37.605 39.823 1.00 0.00 C ATOM 286 O ILE A 22 -11.141 -36.859 38.847 1.00 0.00 O ATOM 287 CB ILE A 22 -11.599 -36.915 42.143 1.00 0.00 C ATOM 288 CG1 ILE A 22 -12.706 -36.675 43.172 1.00 0.00 C ATOM 289 CG2 ILE A 22 -10.972 -35.575 41.789 1.00 0.00 C ATOM 290 CD1 ILE A 22 -12.196 -36.242 44.529 1.00 0.00 C ATOM 0 H ILE A 22 -12.435 -39.264 42.120 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.042 -37.034 40.536 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.841 -37.578 42.561 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.385 -35.913 42.790 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.286 -37.590 43.288 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.572 -35.111 42.690 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.166 -35.729 41.071 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.728 -34.924 41.351 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -13.039 -36.092 45.203 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.540 -37.013 44.934 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.641 -35.309 44.428 1.00 0.00 H new ATOM 302 N GLY A 23 -10.093 -38.465 40.027 1.00 0.00 N ATOM 303 CA GLY A 23 -8.972 -38.599 39.099 1.00 0.00 C ATOM 304 C GLY A 23 -9.448 -39.159 37.768 1.00 0.00 C ATOM 305 O GLY A 23 -9.062 -38.682 36.702 1.00 0.00 O ATOM 0 H GLY A 23 -10.041 -39.086 40.835 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.502 -37.628 38.945 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.214 -39.256 39.527 1.00 0.00 H new ATOM 309 N GLY A 24 -10.295 -40.181 37.845 1.00 0.00 N ATOM 310 CA GLY A 24 -10.842 -40.831 36.658 1.00 0.00 C ATOM 311 C GLY A 24 -11.779 -39.888 35.919 1.00 0.00 C ATOM 312 O GLY A 24 -11.618 -39.638 34.726 1.00 0.00 O ATOM 0 H GLY A 24 -10.620 -40.580 38.726 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.031 -41.138 35.998 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.379 -41.735 36.946 1.00 0.00 H new ATOM 316 N TYR A 25 -12.763 -39.368 36.647 1.00 0.00 N ATOM 317 CA TYR A 25 -13.745 -38.446 36.085 1.00 0.00 C ATOM 318 C TYR A 25 -13.052 -37.249 35.456 1.00 0.00 C ATOM 319 O TYR A 25 -13.451 -36.766 34.397 1.00 0.00 O ATOM 320 CB TYR A 25 -14.690 -37.939 37.176 1.00 0.00 C ATOM 321 CG TYR A 25 -15.733 -36.964 36.679 1.00 0.00 C ATOM 322 CD1 TYR A 25 -16.856 -37.412 35.995 1.00 0.00 C ATOM 323 CD2 TYR A 25 -15.591 -35.599 36.895 1.00 0.00 C ATOM 324 CE1 TYR A 25 -17.815 -36.528 35.537 1.00 0.00 C ATOM 325 CE2 TYR A 25 -16.540 -34.701 36.444 1.00 0.00 C ATOM 326 CZ TYR A 25 -17.658 -35.177 35.760 1.00 0.00 C ATOM 327 OH TYR A 25 -18.610 -34.295 35.305 1.00 0.00 O ATOM 0 H TYR A 25 -12.902 -39.572 37.637 1.00 0.00 H new ATOM 0 HA TYR A 25 -14.312 -38.986 35.327 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -15.192 -38.792 37.633 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -14.102 -37.459 37.958 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.982 -38.470 35.818 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -14.724 -35.233 37.425 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -18.682 -36.894 35.007 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -16.417 -33.642 36.619 1.00 0.00 H new ATOM 0 HH TYR A 25 -18.350 -33.381 35.545 1.00 0.00 H new ATOM 337 N ILE A 26 -12.005 -36.774 36.124 1.00 0.00 N ATOM 338 CA ILE A 26 -11.232 -35.628 35.652 1.00 0.00 C ATOM 339 C ILE A 26 -10.348 -36.029 34.482 1.00 0.00 C ATOM 340 O ILE A 26 -10.267 -35.327 33.476 1.00 0.00 O ATOM 341 CB ILE A 26 -10.324 -35.064 36.761 1.00 0.00 C ATOM 342 CG1 ILE A 26 -11.167 -34.457 37.883 1.00 0.00 C ATOM 343 CG2 ILE A 26 -9.412 -33.982 36.204 1.00 0.00 C ATOM 344 CD1 ILE A 26 -10.373 -34.103 39.121 1.00 0.00 C ATOM 0 H ILE A 26 -11.669 -37.169 37.002 1.00 0.00 H new ATOM 0 HA ILE A 26 -11.949 -34.866 35.346 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.725 -35.886 37.151 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.659 -33.559 37.510 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.953 -35.161 38.156 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.778 -33.595 37.001 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.788 -34.403 35.416 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.016 -33.172 35.795 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.040 -33.678 39.872 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.902 -35.001 39.521 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.604 -33.374 38.864 1.00 0.00 H new ATOM 356 N VAL A 27 -9.685 -37.172 34.628 1.00 0.00 N ATOM 357 CA VAL A 27 -8.794 -37.695 33.595 1.00 0.00 C ATOM 358 C VAL A 27 -9.598 -38.277 32.444 1.00 0.00 C ATOM 359 O VAL A 27 -9.168 -38.256 31.292 1.00 0.00 O ATOM 360 CB VAL A 27 -7.882 -38.807 34.146 1.00 0.00 C ATOM 361 CG1 VAL A 27 -8.680 -40.080 34.387 1.00 0.00 C ATOM 362 CG2 VAL A 27 -6.767 -39.119 33.160 1.00 0.00 C ATOM 0 H VAL A 27 -9.749 -37.759 35.460 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.183 -36.860 33.251 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.457 -38.453 35.085 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.020 -40.855 34.776 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.472 -39.882 35.109 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.121 -40.416 33.448 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.132 -39.907 33.566 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.199 -39.451 32.216 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.170 -38.223 32.991 1.00 0.00 H new ATOM 372 N GLY A 28 -10.777 -38.799 32.772 1.00 0.00 N ATOM 373 CA GLY A 28 -11.667 -39.398 31.783 1.00 0.00 C ATOM 374 C GLY A 28 -12.346 -38.318 30.955 1.00 0.00 C ATOM 375 O GLY A 28 -12.778 -38.557 29.829 1.00 0.00 O ATOM 0 H GLY A 28 -11.140 -38.819 33.725 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.101 -40.063 31.131 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.419 -40.008 32.284 1.00 0.00 H new ATOM 379 N ALA A 29 -12.432 -37.122 31.531 1.00 0.00 N ATOM 380 CA ALA A 29 -13.056 -35.981 30.869 1.00 0.00 C ATOM 381 C ALA A 29 -12.055 -35.278 29.964 1.00 0.00 C ATOM 382 O ALA A 29 -12.412 -34.741 28.917 1.00 0.00 O ATOM 383 CB ALA A 29 -13.560 -34.981 31.899 1.00 0.00 C ATOM 0 H ALA A 29 -12.074 -36.917 32.464 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.891 -36.354 30.276 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.023 -34.136 31.389 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.295 -35.462 32.544 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.724 -34.627 32.502 1.00 0.00 H new ATOM 389 N LEU A 30 -10.794 -35.291 30.385 1.00 0.00 N ATOM 390 CA LEU A 30 -9.714 -34.661 29.630 1.00 0.00 C ATOM 391 C LEU A 30 -9.667 -35.207 28.212 1.00 0.00 C ATOM 392 O LEU A 30 -9.283 -34.509 27.275 1.00 0.00 O ATOM 393 CB LEU A 30 -8.364 -34.932 30.298 1.00 0.00 C ATOM 394 CG LEU A 30 -8.113 -34.224 31.631 1.00 0.00 C ATOM 395 CD1 LEU A 30 -6.797 -34.680 32.241 1.00 0.00 C ATOM 396 CD2 LEU A 30 -8.050 -32.717 31.435 1.00 0.00 C ATOM 0 H LEU A 30 -10.492 -35.735 31.252 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.906 -33.588 29.607 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.271 -36.006 30.458 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.575 -34.644 29.604 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.938 -34.477 32.296 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.637 -34.165 33.188 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.830 -35.756 32.414 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.980 -34.447 31.559 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.871 -32.232 32.395 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.239 -32.473 30.748 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.995 -32.364 31.021 1.00 0.00 H new ATOM 408 N VAL A 31 -10.065 -36.467 28.067 1.00 0.00 N ATOM 409 CA VAL A 31 -10.080 -37.137 26.769 1.00 0.00 C ATOM 410 C VAL A 31 -10.895 -36.336 25.767 1.00 0.00 C ATOM 411 O VAL A 31 -10.573 -36.286 24.581 1.00 0.00 O ATOM 412 CB VAL A 31 -10.699 -38.544 26.867 1.00 0.00 C ATOM 413 CG1 VAL A 31 -10.896 -39.137 25.480 1.00 0.00 C ATOM 414 CG2 VAL A 31 -9.792 -39.471 27.662 1.00 0.00 C ATOM 0 H VAL A 31 -10.385 -37.050 28.840 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.043 -37.218 26.442 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.662 -38.449 27.369 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.334 -40.131 25.568 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.562 -38.497 24.902 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.933 -39.209 24.975 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.245 -40.461 27.721 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.823 -39.544 27.168 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.657 -39.073 28.668 1.00 0.00 H new ATOM 424 N ILE A 32 -11.958 -35.708 26.261 1.00 0.00 N ATOM 425 CA ILE A 32 -12.843 -34.898 25.428 1.00 0.00 C ATOM 426 C ILE A 32 -12.103 -33.684 24.890 1.00 0.00 C ATOM 427 O ILE A 32 -12.240 -33.320 23.723 1.00 0.00 O ATOM 428 CB ILE A 32 -14.063 -34.396 26.223 1.00 0.00 C ATOM 429 CG1 ILE A 32 -14.962 -35.569 26.617 1.00 0.00 C ATOM 430 CG2 ILE A 32 -14.879 -33.422 25.387 1.00 0.00 C ATOM 431 CD1 ILE A 32 -16.048 -35.201 27.605 1.00 0.00 C ATOM 0 H ILE A 32 -12.230 -35.745 27.243 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.179 -35.535 24.610 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.695 -33.895 27.118 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -15.424 -35.978 25.719 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.346 -36.359 27.046 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.737 -33.077 25.964 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -14.259 -32.568 25.114 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.227 -33.921 24.483 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.644 -36.084 27.836 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.594 -34.820 28.520 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -16.689 -34.434 27.172 1.00 0.00 H new ATOM 443 N LEU A 33 -11.313 -33.060 25.760 1.00 0.00 N ATOM 444 CA LEU A 33 -10.535 -31.878 25.399 1.00 0.00 C ATOM 445 C LEU A 33 -9.532 -32.215 24.308 1.00 0.00 C ATOM 446 O LEU A 33 -9.418 -31.507 23.308 1.00 0.00 O ATOM 447 CB LEU A 33 -9.770 -31.349 26.614 1.00 0.00 C ATOM 448 CG LEU A 33 -10.607 -30.673 27.701 1.00 0.00 C ATOM 449 CD1 LEU A 33 -9.743 -30.312 28.899 1.00 0.00 C ATOM 450 CD2 LEU A 33 -11.245 -29.397 27.173 1.00 0.00 C ATOM 0 H LEU A 33 -11.194 -33.357 26.729 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.230 -31.119 25.041 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.229 -32.180 27.066 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.023 -30.636 26.264 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.382 -31.379 28.001 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.358 -29.832 29.660 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.296 -31.217 29.311 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.954 -29.628 28.586 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.836 -28.932 27.962 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.465 -28.707 26.849 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.892 -29.636 26.329 1.00 0.00 H new ATOM 462 N ALA A 34 -8.804 -33.308 24.514 1.00 0.00 N ATOM 463 CA ALA A 34 -7.797 -33.766 23.560 1.00 0.00 C ATOM 464 C ALA A 34 -8.431 -34.036 22.205 1.00 0.00 C ATOM 465 O ALA A 34 -7.868 -33.705 21.162 1.00 0.00 O ATOM 466 CB ALA A 34 -7.146 -35.050 24.052 1.00 0.00 C ATOM 0 H ALA A 34 -8.893 -33.899 25.341 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.046 -32.982 23.466 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.398 -35.378 23.330 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.667 -34.869 25.014 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.906 -35.823 24.164 1.00 0.00 H new ATOM 472 N VAL A 35 -9.614 -34.642 22.234 1.00 0.00 N ATOM 473 CA VAL A 35 -10.352 -34.970 21.018 1.00 0.00 C ATOM 474 C VAL A 35 -10.574 -33.724 20.177 1.00 0.00 C ATOM 475 O VAL A 35 -10.411 -33.742 18.958 1.00 0.00 O ATOM 476 CB VAL A 35 -11.731 -35.575 21.341 1.00 0.00 C ATOM 477 CG1 VAL A 35 -12.561 -35.714 20.074 1.00 0.00 C ATOM 478 CG2 VAL A 35 -11.575 -36.952 21.966 1.00 0.00 C ATOM 0 H VAL A 35 -10.086 -34.918 23.095 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.753 -35.698 20.471 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.232 -34.906 22.040 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.532 -36.143 20.321 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.702 -34.732 19.622 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.044 -36.366 19.370 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.559 -37.365 22.188 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.054 -37.610 21.271 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.000 -36.870 22.888 1.00 0.00 H new ATOM 488 N ALA A 36 -10.949 -32.639 20.847 1.00 0.00 N ATOM 489 CA ALA A 36 -11.202 -31.362 20.185 1.00 0.00 C ATOM 490 C ALA A 36 -9.922 -30.818 19.571 1.00 0.00 C ATOM 491 O ALA A 36 -9.906 -30.375 18.423 1.00 0.00 O ATOM 492 CB ALA A 36 -11.729 -30.343 21.183 1.00 0.00 C ATOM 0 H ALA A 36 -11.086 -32.619 21.858 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.942 -31.532 19.403 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.913 -29.397 20.674 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.660 -30.708 21.618 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.993 -30.193 21.973 1.00 0.00 H new ATOM 498 N GLY A 37 -8.847 -30.857 20.353 1.00 0.00 N ATOM 499 CA GLY A 37 -7.543 -30.372 19.912 1.00 0.00 C ATOM 500 C GLY A 37 -7.191 -30.956 18.553 1.00 0.00 C ATOM 501 O GLY A 37 -6.989 -30.230 17.581 1.00 0.00 O ATOM 0 H GLY A 37 -8.855 -31.223 21.305 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.553 -29.284 19.855 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.781 -30.646 20.641 1.00 0.00 H new ATOM 505 N LEU A 38 -7.120 -32.283 18.499 1.00 0.00 N ATOM 506 CA LEU A 38 -6.792 -32.998 17.268 1.00 0.00 C ATOM 507 C LEU A 38 -7.819 -32.696 16.189 1.00 0.00 C ATOM 508 O LEU A 38 -7.481 -32.533 15.018 1.00 0.00 O ATOM 509 CB LEU A 38 -6.777 -34.508 17.513 1.00 0.00 C ATOM 510 CG LEU A 38 -5.618 -35.047 18.355 1.00 0.00 C ATOM 511 CD1 LEU A 38 -5.796 -36.533 18.626 1.00 0.00 C ATOM 512 CD2 LEU A 38 -4.293 -34.850 17.634 1.00 0.00 C ATOM 0 H LEU A 38 -7.287 -32.890 19.301 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.806 -32.667 16.944 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.712 -34.785 18.001 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.761 -35.011 16.546 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.614 -34.496 19.296 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.961 -36.896 19.226 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.729 -36.695 19.166 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.826 -37.074 17.680 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.482 -35.240 18.250 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.314 -35.381 16.683 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.132 -33.787 17.453 1.00 0.00 H new ATOM 524 N ILE A 39 -9.081 -32.621 16.600 1.00 0.00 N ATOM 525 CA ILE A 39 -10.184 -32.338 15.687 1.00 0.00 C ATOM 526 C ILE A 39 -9.972 -31.004 14.992 1.00 0.00 C ATOM 527 O ILE A 39 -10.168 -30.877 13.784 1.00 0.00 O ATOM 528 CB ILE A 39 -11.531 -32.275 16.431 1.00 0.00 C ATOM 529 CG1 ILE A 39 -11.909 -33.657 16.968 1.00 0.00 C ATOM 530 CG2 ILE A 39 -12.634 -31.801 15.497 1.00 0.00 C ATOM 531 CD1 ILE A 39 -12.072 -34.706 15.890 1.00 0.00 C ATOM 0 H ILE A 39 -9.367 -32.754 17.570 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.207 -33.149 14.959 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.423 -31.574 17.258 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.143 -33.986 17.670 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.841 -33.577 17.528 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -13.579 -31.763 16.040 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.391 -30.807 15.121 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.724 -32.493 14.660 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.340 -35.659 16.347 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.859 -34.400 15.201 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.135 -34.816 15.345 1.00 0.00 H new ATOM 543 N TYR A 40 -9.566 -30.008 15.774 1.00 0.00 N ATOM 544 CA TYR A 40 -9.317 -28.664 15.259 1.00 0.00 C ATOM 545 C TYR A 40 -8.093 -28.657 14.358 1.00 0.00 C ATOM 546 O TYR A 40 -8.082 -28.020 13.306 1.00 0.00 O ATOM 547 CB TYR A 40 -9.075 -27.685 16.410 1.00 0.00 C ATOM 548 CG TYR A 40 -8.835 -26.261 15.963 1.00 0.00 C ATOM 549 CD1 TYR A 40 -9.892 -25.450 15.572 1.00 0.00 C ATOM 550 CD2 TYR A 40 -7.551 -25.732 15.933 1.00 0.00 C ATOM 551 CE1 TYR A 40 -9.682 -24.147 15.162 1.00 0.00 C ATOM 552 CE2 TYR A 40 -7.321 -24.432 15.526 1.00 0.00 C ATOM 553 CZ TYR A 40 -8.401 -23.639 15.139 1.00 0.00 C ATOM 554 OH TYR A 40 -8.189 -22.343 14.731 1.00 0.00 O ATOM 0 H TYR A 40 -9.401 -30.108 16.776 1.00 0.00 H new ATOM 0 HA TYR A 40 -10.196 -28.358 14.692 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -9.936 -27.705 17.078 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.215 -28.024 16.988 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -10.897 -25.845 15.589 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.717 -26.349 16.234 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -10.516 -23.531 14.862 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.317 -24.035 15.508 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.231 -22.139 14.774 1.00 0.00 H new ATOM 564 N SER A 41 -7.059 -29.377 14.786 1.00 0.00 N ATOM 565 CA SER A 41 -5.812 -29.474 14.035 1.00 0.00 C ATOM 566 C SER A 41 -6.063 -30.064 12.657 1.00 0.00 C ATOM 567 O SER A 41 -5.630 -29.520 11.643 1.00 0.00 O ATOM 568 CB SER A 41 -4.813 -30.370 14.769 1.00 0.00 C ATOM 569 OG SER A 41 -4.412 -29.789 15.998 1.00 0.00 O ATOM 0 H SER A 41 -7.062 -29.906 15.658 1.00 0.00 H new ATOM 0 HA SER A 41 -5.405 -28.467 13.937 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.263 -31.345 14.954 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.939 -30.536 14.140 1.00 0.00 H new ATOM 0 HG SER A 41 -5.148 -29.846 16.642 1.00 0.00 H new ATOM 575 N MET A 42 -6.773 -31.189 12.635 1.00 0.00 N ATOM 576 CA MET A 42 -7.101 -31.880 11.391 1.00 0.00 C ATOM 577 C MET A 42 -7.992 -31.012 10.518 1.00 0.00 C ATOM 578 O MET A 42 -7.818 -30.942 9.302 1.00 0.00 O ATOM 579 CB MET A 42 -7.838 -33.189 11.683 1.00 0.00 C ATOM 580 CG MET A 42 -8.146 -34.017 10.447 1.00 0.00 C ATOM 581 SD MET A 42 -8.986 -35.564 10.837 1.00 0.00 S ATOM 582 CE MET A 42 -10.596 -34.959 11.334 1.00 0.00 C ATOM 0 H MET A 42 -7.135 -31.645 13.473 1.00 0.00 H new ATOM 0 HA MET A 42 -6.166 -32.090 10.872 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.236 -33.787 12.367 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.772 -32.961 12.196 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.767 -33.432 9.769 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.217 -34.236 9.920 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.302 -35.789 11.366 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.525 -34.505 12.322 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.942 -34.215 10.617 1.00 0.00 H new ATOM 592 N LEU A 43 -8.952 -30.349 11.157 1.00 0.00 N ATOM 593 CA LEU A 43 -9.890 -29.473 10.463 1.00 0.00 C ATOM 594 C LEU A 43 -9.213 -28.170 10.072 1.00 0.00 C ATOM 595 O LEU A 43 -9.431 -27.641 8.983 1.00 0.00 O ATOM 596 CB LEU A 43 -11.084 -29.146 11.362 1.00 0.00 C ATOM 597 CG LEU A 43 -12.058 -30.293 11.639 1.00 0.00 C ATOM 598 CD1 LEU A 43 -13.119 -29.867 12.642 1.00 0.00 C ATOM 599 CD2 LEU A 43 -12.759 -30.723 10.360 1.00 0.00 C ATOM 0 H LEU A 43 -9.101 -30.403 12.165 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.232 -29.995 9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.704 -28.782 12.316 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.641 -28.327 10.907 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.478 -31.123 12.042 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.801 -30.697 12.825 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.640 -29.578 13.578 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.677 -29.020 12.243 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.447 -31.540 10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.315 -29.880 9.949 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.018 -31.058 9.634 1.00 0.00 H new ATOM 611 N ARG A 44 -8.386 -27.657 10.978 1.00 0.00 N ATOM 612 CA ARG A 44 -7.658 -26.411 10.755 1.00 0.00 C ATOM 613 C ARG A 44 -6.405 -26.666 9.934 1.00 0.00 C ATOM 614 O ARG A 44 -5.984 -25.829 9.138 1.00 0.00 O ATOM 615 CB ARG A 44 -7.243 -25.787 12.089 1.00 0.00 C ATOM 616 CG ARG A 44 -6.557 -24.437 11.956 1.00 0.00 C ATOM 617 CD ARG A 44 -7.516 -23.380 11.431 1.00 0.00 C ATOM 618 NE ARG A 44 -6.877 -22.072 11.313 1.00 0.00 N ATOM 619 CZ ARG A 44 -7.435 -21.017 10.728 1.00 0.00 C ATOM 620 NH1 ARG A 44 -8.650 -21.116 10.205 1.00 0.00 N ATOM 621 NH2 ARG A 44 -6.778 -19.867 10.667 1.00 0.00 N ATOM 0 H ARG A 44 -8.202 -28.090 11.883 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.320 -25.731 10.218 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.128 -25.673 12.715 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.573 -26.474 12.606 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.167 -24.128 12.926 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.704 -24.525 11.282 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.896 -23.687 10.457 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.374 -23.305 12.099 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.942 -21.961 11.705 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.155 -22.001 10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.079 -20.307 9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.844 -19.791 11.069 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.207 -19.058 10.218 1.00 0.00 H new ATOM 635 N LYS A 45 -5.812 -27.839 10.140 1.00 0.00 N ATOM 636 CA LYS A 45 -4.600 -28.236 9.430 1.00 0.00 C ATOM 637 C LYS A 45 -4.918 -28.585 7.986 1.00 0.00 C ATOM 638 O LYS A 45 -4.232 -28.153 7.061 1.00 0.00 O ATOM 639 CB LYS A 45 -3.966 -29.460 10.094 1.00 0.00 C ATOM 640 CG LYS A 45 -2.666 -29.912 9.450 1.00 0.00 C ATOM 641 CD LYS A 45 -2.064 -31.094 10.192 1.00 0.00 C ATOM 642 CE LYS A 45 -0.772 -31.556 9.540 1.00 0.00 C ATOM 643 NZ LYS A 45 -0.164 -32.707 10.263 1.00 0.00 N ATOM 0 H LYS A 45 -6.156 -28.537 10.800 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.907 -27.396 9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.780 -29.235 11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.678 -30.285 10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.849 -30.187 8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.956 -29.085 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.872 -30.816 11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.779 -31.917 10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.969 -31.840 8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.063 -30.729 9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.715 -32.991 9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.048 -32.429 11.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.830 -33.506 10.266 1.00 0.00 H new ATOM 657 N ALA A 46 -5.972 -29.376 7.805 1.00 0.00 N ATOM 658 CA ALA A 46 -6.409 -29.803 6.479 1.00 0.00 C ATOM 659 C ALA A 46 -7.637 -30.694 6.603 1.00 0.00 C ATOM 660 O ALA A 46 -8.110 -30.954 7.707 1.00 0.00 O ATOM 661 CB ALA A 46 -5.271 -30.543 5.783 1.00 0.00 C ATOM 0 H ALA A 46 -6.544 -29.737 8.568 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.676 -28.931 5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.596 -30.862 4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.411 -29.880 5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.991 -31.416 6.372 1.00 0.00 H new