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= -1.95 K(o=-3.2,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -173:sc= -1.26 (180deg=-0.325) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.177 (180deg=-0.67) USER MOD Single : A 5 THR OG1 : rot -8:sc= 0.304 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 112:sc= 1.02 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= 0.299 USER MOD Single : A 42 MET CE :methyl 166:sc= -0.011 (180deg=-0.248) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.723 -40.603 48.072 1.00 0.00 N ATOM 2 CA GLY A 1 -24.159 -40.790 48.115 1.00 0.00 C ATOM 3 C GLY A 1 -24.818 -40.016 46.985 1.00 0.00 C ATOM 4 O GLY A 1 -24.146 -39.354 46.197 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.250 -41.527 48.136 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.460 -40.141 47.178 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.426 -40.007 48.871 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.399 -41.850 48.029 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.550 -40.452 49.075 1.00 0.00 H new ATOM 8 N VAL A 2 -26.143 -40.110 46.920 1.00 0.00 N ATOM 9 CA VAL A 2 -26.925 -39.427 45.894 1.00 0.00 C ATOM 10 C VAL A 2 -26.910 -37.925 46.125 1.00 0.00 C ATOM 11 O VAL A 2 -26.742 -37.139 45.193 1.00 0.00 O ATOM 12 CB VAL A 2 -28.393 -39.892 45.900 1.00 0.00 C ATOM 13 CG1 VAL A 2 -29.226 -39.039 44.956 1.00 0.00 C ATOM 14 CG2 VAL A 2 -28.494 -41.342 45.453 1.00 0.00 C ATOM 0 H VAL A 2 -26.702 -40.659 47.573 1.00 0.00 H new ATOM 0 HA VAL A 2 -26.469 -39.671 44.934 1.00 0.00 H new ATOM 0 HB VAL A 2 -28.769 -39.792 46.918 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -30.261 -39.382 44.973 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -29.184 -37.997 45.274 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -28.832 -39.126 43.944 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -29.538 -41.654 45.463 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -28.096 -41.440 44.443 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -27.920 -41.973 46.132 1.00 0.00 H new ATOM 24 N ILE A 3 -27.088 -37.535 47.384 1.00 0.00 N ATOM 25 CA ILE A 3 -27.099 -36.128 47.771 1.00 0.00 C ATOM 26 C ILE A 3 -25.727 -35.508 47.563 1.00 0.00 C ATOM 27 O ILE A 3 -25.606 -34.367 47.119 1.00 0.00 O ATOM 28 CB ILE A 3 -27.478 -35.953 49.253 1.00 0.00 C ATOM 29 CG1 ILE A 3 -28.931 -36.371 49.485 1.00 0.00 C ATOM 30 CG2 ILE A 3 -27.320 -34.501 49.676 1.00 0.00 C ATOM 31 CD1 ILE A 3 -29.313 -36.466 50.946 1.00 0.00 C ATOM 0 H ILE A 3 -27.228 -38.181 48.161 1.00 0.00 H new ATOM 0 HA ILE A 3 -27.841 -35.633 47.145 1.00 0.00 H new ATOM 0 HB ILE A 3 -26.813 -36.583 49.844 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -29.589 -35.654 48.993 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -29.101 -37.338 49.011 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -27.592 -34.396 50.726 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -26.284 -34.192 49.537 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -27.970 -33.872 49.068 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -30.357 -36.767 51.030 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -28.681 -37.204 51.440 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -29.176 -35.495 51.422 1.00 0.00 H new ATOM 43 N ASP A 4 -24.693 -36.277 47.891 1.00 0.00 N ATOM 44 CA ASP A 4 -23.312 -35.827 47.751 1.00 0.00 C ATOM 45 C ASP A 4 -23.063 -35.302 46.346 1.00 0.00 C ATOM 46 O ASP A 4 -22.385 -34.294 46.155 1.00 0.00 O ATOM 47 CB ASP A 4 -22.343 -36.981 48.015 1.00 0.00 C ATOM 48 CG ASP A 4 -22.292 -37.377 49.477 1.00 0.00 C ATOM 49 OD1 ASP A 4 -21.430 -38.205 49.839 1.00 0.00 O ATOM 50 OD2 ASP A 4 -23.114 -36.858 50.262 1.00 0.00 O ATOM 0 H ASP A 4 -24.787 -37.224 48.259 1.00 0.00 H new ATOM 0 HA ASP A 4 -23.147 -35.032 48.478 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -22.640 -37.844 47.419 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -21.344 -36.695 47.685 1.00 0.00 H new ATOM 56 N THR A 5 -23.623 -36.003 45.363 1.00 0.00 N ATOM 57 CA THR A 5 -23.477 -35.630 43.959 1.00 0.00 C ATOM 58 C THR A 5 -24.659 -34.786 43.508 1.00 0.00 C ATOM 59 O THR A 5 -24.725 -34.346 42.362 1.00 0.00 O ATOM 60 CB THR A 5 -23.406 -36.871 43.050 1.00 0.00 C ATOM 61 OG1 THR A 5 -24.622 -37.621 43.164 1.00 0.00 O ATOM 62 CG2 THR A 5 -22.239 -37.760 43.452 1.00 0.00 C ATOM 0 H THR A 5 -24.187 -36.839 45.516 1.00 0.00 H new ATOM 0 HA THR A 5 -22.549 -35.065 43.875 1.00 0.00 H new ATOM 0 HB THR A 5 -23.266 -36.539 42.021 1.00 0.00 H new ATOM 0 HG1 THR A 5 -25.168 -37.251 43.889 1.00 0.00 H new ATOM 0 HG21 THR A 5 -22.204 -38.632 42.799 1.00 0.00 H new ATOM 0 HG22 THR A 5 -21.308 -37.201 43.361 1.00 0.00 H new ATOM 0 HG23 THR A 5 -22.368 -38.085 44.484 1.00 0.00 H new ATOM 70 N SER A 6 -25.593 -34.567 44.429 1.00 0.00 N ATOM 71 CA SER A 6 -26.789 -33.777 44.153 1.00 0.00 C ATOM 72 C SER A 6 -26.418 -32.464 43.481 1.00 0.00 C ATOM 73 O SER A 6 -26.846 -32.178 42.364 1.00 0.00 O ATOM 74 CB SER A 6 -27.534 -33.461 45.451 1.00 0.00 C ATOM 75 OG SER A 6 -28.693 -32.686 45.199 1.00 0.00 O ATOM 0 H SER A 6 -25.543 -34.929 45.381 1.00 0.00 H new ATOM 0 HA SER A 6 -27.428 -34.363 43.492 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.815 -34.390 45.948 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.874 -32.923 46.131 1.00 0.00 H new ATOM 0 HG SER A 6 -29.152 -32.499 46.045 1.00 0.00 H new ATOM 81 N ALA A 7 -25.613 -31.669 44.180 1.00 0.00 N ATOM 82 CA ALA A 7 -25.164 -30.375 43.674 1.00 0.00 C ATOM 83 C ALA A 7 -24.390 -30.549 42.377 1.00 0.00 C ATOM 84 O ALA A 7 -24.552 -29.779 41.431 1.00 0.00 O ATOM 85 CB ALA A 7 -24.257 -29.695 44.688 1.00 0.00 C ATOM 0 H ALA A 7 -25.255 -31.901 45.107 1.00 0.00 H new ATOM 0 HA ALA A 7 -26.048 -29.762 43.497 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -23.931 -28.732 44.296 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -24.803 -29.542 45.619 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -23.387 -30.323 44.877 1.00 0.00 H new ATOM 91 N VAL A 8 -23.545 -31.576 42.346 1.00 0.00 N ATOM 92 CA VAL A 8 -22.729 -31.879 41.174 1.00 0.00 C ATOM 93 C VAL A 8 -23.611 -32.231 39.988 1.00 0.00 C ATOM 94 O VAL A 8 -23.358 -31.810 38.860 1.00 0.00 O ATOM 95 CB VAL A 8 -21.788 -33.070 41.434 1.00 0.00 C ATOM 96 CG1 VAL A 8 -21.104 -33.499 40.145 1.00 0.00 C ATOM 97 CG2 VAL A 8 -20.716 -32.691 42.444 1.00 0.00 C ATOM 0 H VAL A 8 -23.407 -32.218 43.127 1.00 0.00 H new ATOM 0 HA VAL A 8 -22.139 -30.988 40.961 1.00 0.00 H new ATOM 0 HB VAL A 8 -22.390 -33.890 41.824 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -20.443 -34.342 40.347 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -21.857 -33.796 39.415 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -20.521 -32.668 39.748 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -20.060 -33.544 42.616 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -20.131 -31.856 42.058 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -21.187 -32.401 43.383 1.00 0.00 H new ATOM 107 N GLU A 9 -24.654 -33.012 40.258 1.00 0.00 N ATOM 108 CA GLU A 9 -25.597 -33.439 39.228 1.00 0.00 C ATOM 109 C GLU A 9 -26.206 -32.234 38.531 1.00 0.00 C ATOM 110 O GLU A 9 -26.409 -32.236 37.318 1.00 0.00 O ATOM 111 CB GLU A 9 -26.729 -34.263 39.846 1.00 0.00 C ATOM 112 CG GLU A 9 -27.722 -34.809 38.834 1.00 0.00 C ATOM 113 CD GLU A 9 -28.799 -35.661 39.476 1.00 0.00 C ATOM 114 OE1 GLU A 9 -28.769 -35.823 40.715 1.00 0.00 O ATOM 115 OE2 GLU A 9 -29.673 -36.168 38.742 1.00 0.00 O ATOM 0 H GLU A 9 -24.868 -33.365 41.191 1.00 0.00 H new ATOM 0 HA GLU A 9 -25.049 -34.045 38.507 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -26.297 -35.096 40.401 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -27.264 -33.644 40.566 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -28.189 -33.979 38.304 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -27.189 -35.402 38.091 1.00 0.00 H new ATOM 123 N SER A 10 -26.497 -31.202 39.317 1.00 0.00 N ATOM 124 CA SER A 10 -27.086 -29.970 38.801 1.00 0.00 C ATOM 125 C SER A 10 -26.014 -29.077 38.200 1.00 0.00 C ATOM 126 O SER A 10 -26.160 -28.565 37.091 1.00 0.00 O ATOM 127 CB SER A 10 -27.784 -29.199 39.923 1.00 0.00 C ATOM 128 OG SER A 10 -28.872 -29.937 40.450 1.00 0.00 O ATOM 0 H SER A 10 -26.333 -31.195 40.324 1.00 0.00 H new ATOM 0 HA SER A 10 -27.810 -30.245 38.034 1.00 0.00 H new ATOM 0 HB2 SER A 10 -27.070 -28.981 40.717 1.00 0.00 H new ATOM 0 HB3 SER A 10 -28.140 -28.241 39.543 1.00 0.00 H new ATOM 0 HG SER A 10 -29.300 -29.423 41.166 1.00 0.00 H new ATOM 134 N ALA A 11 -24.931 -28.895 38.951 1.00 0.00 N ATOM 135 CA ALA A 11 -23.812 -28.065 38.516 1.00 0.00 C ATOM 136 C ALA A 11 -23.115 -28.693 37.320 1.00 0.00 C ATOM 137 O ALA A 11 -22.700 -28.002 36.391 1.00 0.00 O ATOM 138 CB ALA A 11 -22.797 -27.912 39.639 1.00 0.00 C ATOM 0 H ALA A 11 -24.805 -29.315 39.872 1.00 0.00 H new ATOM 0 HA ALA A 11 -24.210 -27.089 38.240 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -21.969 -27.290 39.299 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -23.274 -27.442 40.499 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.420 -28.894 39.925 1.00 0.00 H new ATOM 144 N ILE A 12 -22.993 -30.016 37.356 1.00 0.00 N ATOM 145 CA ILE A 12 -22.349 -30.770 36.285 1.00 0.00 C ATOM 146 C ILE A 12 -23.176 -30.698 35.012 1.00 0.00 C ATOM 147 O ILE A 12 -22.651 -30.465 33.924 1.00 0.00 O ATOM 148 CB ILE A 12 -22.185 -32.255 36.660 1.00 0.00 C ATOM 149 CG1 ILE A 12 -21.194 -32.407 37.815 1.00 0.00 C ATOM 150 CG2 ILE A 12 -21.665 -33.050 35.472 1.00 0.00 C ATOM 151 CD1 ILE A 12 -19.805 -31.895 37.500 1.00 0.00 C ATOM 0 H ILE A 12 -23.336 -30.594 38.124 1.00 0.00 H new ATOM 0 HA ILE A 12 -21.367 -30.323 36.129 1.00 0.00 H new ATOM 0 HB ILE A 12 -23.163 -32.634 36.958 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -21.579 -31.874 38.684 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -21.129 -33.460 38.090 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -21.555 -34.097 35.755 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -22.369 -32.970 34.644 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -20.697 -32.654 35.165 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -19.160 -32.037 38.367 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -19.398 -32.445 36.651 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -19.855 -30.834 37.255 1.00 0.00 H new ATOM 163 N THR A 13 -24.482 -30.900 35.163 1.00 0.00 N ATOM 164 CA THR A 13 -25.413 -30.864 34.038 1.00 0.00 C ATOM 165 C THR A 13 -25.461 -29.471 33.432 1.00 0.00 C ATOM 166 O THR A 13 -25.476 -29.308 32.213 1.00 0.00 O ATOM 167 CB THR A 13 -26.841 -31.240 34.475 1.00 0.00 C ATOM 168 OG1 THR A 13 -26.851 -32.580 34.982 1.00 0.00 O ATOM 169 CG2 THR A 13 -27.799 -31.152 33.297 1.00 0.00 C ATOM 0 H THR A 13 -24.923 -31.092 36.062 1.00 0.00 H new ATOM 0 HA THR A 13 -25.054 -31.588 33.306 1.00 0.00 H new ATOM 0 HB THR A 13 -27.161 -30.543 35.250 1.00 0.00 H new ATOM 0 HG1 THR A 13 -27.029 -32.564 35.946 1.00 0.00 H new ATOM 0 HG21 THR A 13 -28.803 -31.421 33.624 1.00 0.00 H new ATOM 0 HG22 THR A 13 -27.805 -30.134 32.908 1.00 0.00 H new ATOM 0 HG23 THR A 13 -27.477 -31.838 32.514 1.00 0.00 H new ATOM 177 N ASP A 14 -25.487 -28.465 34.303 1.00 0.00 N ATOM 178 CA ASP A 14 -25.534 -27.069 33.881 1.00 0.00 C ATOM 179 C ASP A 14 -24.227 -26.668 33.220 1.00 0.00 C ATOM 180 O ASP A 14 -24.213 -26.102 32.128 1.00 0.00 O ATOM 181 CB ASP A 14 -25.768 -26.153 35.084 1.00 0.00 C ATOM 182 CG ASP A 14 -27.176 -26.262 35.635 1.00 0.00 C ATOM 183 OD1 ASP A 14 -27.528 -25.465 36.529 1.00 0.00 O ATOM 184 OD2 ASP A 14 -27.928 -27.145 35.171 1.00 0.00 O ATOM 0 H ASP A 14 -25.476 -28.594 35.315 1.00 0.00 H new ATOM 0 HA ASP A 14 -26.355 -26.965 33.171 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -25.054 -26.402 35.869 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -25.575 -25.121 34.793 1.00 0.00 H new ATOM 190 N GLY A 15 -23.123 -26.970 33.898 1.00 0.00 N ATOM 191 CA GLY A 15 -21.789 -26.652 33.398 1.00 0.00 C ATOM 192 C GLY A 15 -21.316 -27.718 32.423 1.00 0.00 C ATOM 193 O GLY A 15 -21.174 -27.469 31.227 1.00 0.00 O ATOM 0 H GLY A 15 -23.127 -27.439 34.804 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.802 -25.680 32.905 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.090 -26.578 34.231 1.00 0.00 H new ATOM 197 N GLN A 16 -21.075 -28.914 32.952 1.00 0.00 N ATOM 198 CA GLN A 16 -20.617 -30.044 32.150 1.00 0.00 C ATOM 199 C GLN A 16 -21.482 -30.203 30.910 1.00 0.00 C ATOM 200 O GLN A 16 -20.984 -30.230 29.786 1.00 0.00 O ATOM 201 CB GLN A 16 -20.690 -31.340 32.960 1.00 0.00 C ATOM 202 CG GLN A 16 -20.190 -32.567 32.214 1.00 0.00 C ATOM 203 CD GLN A 16 -18.712 -32.486 31.886 1.00 0.00 C ATOM 204 OE1 GLN A 16 -17.879 -32.291 32.772 1.00 0.00 O ATOM 205 NE2 GLN A 16 -18.381 -32.637 30.609 1.00 0.00 N ATOM 0 H GLN A 16 -21.191 -29.127 33.943 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.585 -29.847 31.858 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -20.105 -31.219 33.872 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -21.723 -31.508 33.264 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.377 -33.456 32.817 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -20.758 -32.683 31.291 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.106 -32.797 29.910 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.402 -32.593 30.327 1.00 0.00 H new ATOM 214 N GLY A 17 -22.789 -30.308 31.132 1.00 0.00 N ATOM 215 CA GLY A 17 -23.754 -30.466 30.047 1.00 0.00 C ATOM 216 C GLY A 17 -23.540 -29.399 28.985 1.00 0.00 C ATOM 217 O GLY A 17 -23.500 -29.690 27.791 1.00 0.00 O ATOM 0 H GLY A 17 -23.207 -30.286 32.062 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -23.651 -31.456 29.602 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -24.768 -30.397 30.441 1.00 0.00 H new ATOM 221 N ASP A 18 -23.402 -28.156 29.438 1.00 0.00 N ATOM 222 CA ASP A 18 -23.191 -27.020 28.546 1.00 0.00 C ATOM 223 C ASP A 18 -21.973 -27.254 27.667 1.00 0.00 C ATOM 224 O ASP A 18 -21.762 -26.559 26.674 1.00 0.00 O ATOM 225 CB ASP A 18 -22.967 -25.740 29.353 1.00 0.00 C ATOM 226 CG ASP A 18 -24.227 -25.261 30.047 1.00 0.00 C ATOM 227 OD1 ASP A 18 -24.444 -24.032 30.102 1.00 0.00 O ATOM 228 OD2 ASP A 18 -24.996 -26.114 30.536 1.00 0.00 O ATOM 0 H ASP A 18 -23.433 -27.909 30.427 1.00 0.00 H new ATOM 0 HA ASP A 18 -24.081 -26.914 27.925 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -22.191 -25.915 30.098 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -22.601 -24.956 28.690 1.00 0.00 H new ATOM 234 N MET A 19 -21.171 -28.245 28.046 1.00 0.00 N ATOM 235 CA MET A 19 -19.962 -28.597 27.309 1.00 0.00 C ATOM 236 C MET A 19 -20.313 -29.101 25.919 1.00 0.00 C ATOM 237 O MET A 19 -19.667 -28.750 24.933 1.00 0.00 O ATOM 238 CB MET A 19 -19.189 -29.696 28.041 1.00 0.00 C ATOM 239 CG MET A 19 -17.869 -30.068 27.386 1.00 0.00 C ATOM 240 SD MET A 19 -16.984 -31.355 28.286 1.00 0.00 S ATOM 241 CE MET A 19 -16.504 -30.466 29.765 1.00 0.00 C ATOM 0 H MET A 19 -21.340 -28.824 28.869 1.00 0.00 H new ATOM 0 HA MET A 19 -19.347 -27.700 27.233 1.00 0.00 H new ATOM 0 HB2 MET A 19 -18.996 -29.370 29.063 1.00 0.00 H new ATOM 0 HB3 MET A 19 -19.815 -30.586 28.103 1.00 0.00 H new ATOM 0 HG2 MET A 19 -18.056 -30.406 26.367 1.00 0.00 H new ATOM 0 HG3 MET A 19 -17.240 -29.181 27.317 1.00 0.00 H new ATOM 0 HE1 MET A 19 -15.842 -31.090 30.366 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.984 -29.550 29.486 1.00 0.00 H new ATOM 0 HE3 MET A 19 -17.393 -30.217 30.344 1.00 0.00 H new ATOM 251 N LYS A 20 -21.349 -29.933 25.854 1.00 0.00 N ATOM 252 CA LYS A 20 -21.812 -30.505 24.593 1.00 0.00 C ATOM 253 C LYS A 20 -22.174 -29.403 23.610 1.00 0.00 C ATOM 254 O LYS A 20 -21.863 -29.482 22.423 1.00 0.00 O ATOM 255 CB LYS A 20 -23.050 -31.375 24.822 1.00 0.00 C ATOM 256 CG LYS A 20 -23.565 -32.063 23.568 1.00 0.00 C ATOM 257 CD LYS A 20 -24.758 -32.953 23.877 1.00 0.00 C ATOM 258 CE LYS A 20 -25.282 -33.629 22.621 1.00 0.00 C ATOM 259 NZ LYS A 20 -26.444 -34.514 22.911 1.00 0.00 N ATOM 0 H LYS A 20 -21.888 -30.228 26.668 1.00 0.00 H new ATOM 0 HA LYS A 20 -21.003 -31.112 24.187 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -22.815 -32.133 25.569 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.845 -30.755 25.236 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -23.849 -31.313 22.830 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -22.768 -32.660 23.125 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -24.471 -33.710 24.607 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -25.551 -32.358 24.330 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -25.576 -32.870 21.896 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -24.484 -34.215 22.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -26.772 -34.956 22.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -26.158 -35.254 23.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -27.215 -33.951 23.323 1.00 0.00 H new ATOM 273 N ALA A 21 -22.838 -28.371 24.123 1.00 0.00 N ATOM 274 CA ALA A 21 -23.259 -27.232 23.311 1.00 0.00 C ATOM 275 C ALA A 21 -22.052 -26.430 22.853 1.00 0.00 C ATOM 276 O ALA A 21 -21.978 -25.990 21.707 1.00 0.00 O ATOM 277 CB ALA A 21 -24.170 -26.316 24.114 1.00 0.00 C ATOM 0 H ALA A 21 -23.098 -28.300 25.107 1.00 0.00 H new ATOM 0 HA ALA A 21 -23.794 -27.620 22.444 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -24.475 -25.472 23.495 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -25.053 -26.870 24.433 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -23.636 -25.949 24.990 1.00 0.00 H new ATOM 283 N ILE A 22 -21.103 -26.246 23.768 1.00 0.00 N ATOM 284 CA ILE A 22 -19.883 -25.496 23.485 1.00 0.00 C ATOM 285 C ILE A 22 -19.058 -26.205 22.423 1.00 0.00 C ATOM 286 O ILE A 22 -18.621 -25.598 21.447 1.00 0.00 O ATOM 287 CB ILE A 22 -19.008 -25.346 24.743 1.00 0.00 C ATOM 288 CG1 ILE A 22 -19.702 -24.451 25.772 1.00 0.00 C ATOM 289 CG2 ILE A 22 -17.667 -24.722 24.388 1.00 0.00 C ATOM 290 CD1 ILE A 22 -19.032 -24.447 27.129 1.00 0.00 C ATOM 0 H ILE A 22 -21.157 -26.610 24.719 1.00 0.00 H new ATOM 0 HA ILE A 22 -20.190 -24.510 23.136 1.00 0.00 H new ATOM 0 HB ILE A 22 -18.853 -26.340 25.162 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -19.733 -23.431 25.390 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -20.735 -24.780 25.888 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -17.062 -24.623 25.289 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -17.149 -25.358 23.670 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -17.829 -23.737 23.950 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -19.581 -23.790 27.804 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.024 -25.459 27.534 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.008 -24.089 27.028 1.00 0.00 H new ATOM 302 N GLY A 23 -18.850 -27.502 22.627 1.00 0.00 N ATOM 303 CA GLY A 23 -18.078 -28.325 21.699 1.00 0.00 C ATOM 304 C GLY A 23 -18.803 -28.448 20.368 1.00 0.00 C ATOM 305 O GLY A 23 -18.200 -28.331 19.302 1.00 0.00 O ATOM 0 H GLY A 23 -19.209 -28.011 23.435 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.094 -27.883 21.544 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.920 -29.315 22.127 1.00 0.00 H new ATOM 309 N GLY A 24 -20.109 -28.687 20.445 1.00 0.00 N ATOM 310 CA GLY A 24 -20.946 -28.833 19.258 1.00 0.00 C ATOM 311 C GLY A 24 -21.057 -27.509 18.519 1.00 0.00 C ATOM 312 O GLY A 24 -20.773 -27.421 17.326 1.00 0.00 O ATOM 0 H GLY A 24 -20.614 -28.784 21.326 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -20.523 -29.590 18.598 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -21.938 -29.180 19.546 1.00 0.00 H new ATOM 316 N TYR A 25 -21.476 -26.478 19.247 1.00 0.00 N ATOM 317 CA TYR A 25 -21.636 -25.140 18.685 1.00 0.00 C ATOM 318 C TYR A 25 -20.335 -24.669 18.056 1.00 0.00 C ATOM 319 O TYR A 25 -20.331 -24.042 16.997 1.00 0.00 O ATOM 320 CB TYR A 25 -22.034 -24.145 19.776 1.00 0.00 C ATOM 321 CG TYR A 25 -22.207 -22.727 19.279 1.00 0.00 C ATOM 322 CD1 TYR A 25 -23.355 -22.348 18.595 1.00 0.00 C ATOM 323 CD2 TYR A 25 -21.221 -21.773 19.495 1.00 0.00 C ATOM 324 CE1 TYR A 25 -23.521 -21.055 18.137 1.00 0.00 C ATOM 325 CE2 TYR A 25 -21.371 -20.475 19.045 1.00 0.00 C ATOM 326 CZ TYR A 25 -22.533 -20.121 18.361 1.00 0.00 C ATOM 327 OH TYR A 25 -22.696 -18.833 17.906 1.00 0.00 O ATOM 0 H TYR A 25 -21.713 -26.545 20.237 1.00 0.00 H new ATOM 0 HA TYR A 25 -22.417 -25.189 17.927 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -22.967 -24.476 20.233 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -21.275 -24.155 20.558 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -24.132 -23.077 18.418 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -20.321 -22.050 20.024 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -24.420 -20.778 17.606 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -20.597 -19.743 19.221 1.00 0.00 H new ATOM 0 HH TYR A 25 -21.910 -18.299 18.146 1.00 0.00 H new ATOM 337 N ILE A 26 -19.228 -24.978 18.724 1.00 0.00 N ATOM 338 CA ILE A 26 -17.900 -24.598 18.252 1.00 0.00 C ATOM 339 C ILE A 26 -17.480 -25.473 17.082 1.00 0.00 C ATOM 340 O ILE A 26 -16.967 -24.986 16.076 1.00 0.00 O ATOM 341 CB ILE A 26 -16.842 -24.750 19.361 1.00 0.00 C ATOM 342 CG1 ILE A 26 -17.097 -23.742 20.483 1.00 0.00 C ATOM 343 CG2 ILE A 26 -15.448 -24.509 18.803 1.00 0.00 C ATOM 344 CD1 ILE A 26 -16.260 -23.982 21.721 1.00 0.00 C ATOM 0 H ILE A 26 -19.225 -25.496 19.603 1.00 0.00 H new ATOM 0 HA ILE A 26 -17.960 -23.554 17.946 1.00 0.00 H new ATOM 0 HB ILE A 26 -16.912 -25.765 19.753 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.897 -22.738 20.109 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -18.152 -23.776 20.756 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.713 -24.620 19.600 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -15.241 -25.233 18.015 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -15.389 -23.501 18.394 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.496 -23.228 22.472 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -16.477 -24.973 22.121 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -15.203 -23.919 21.463 1.00 0.00 H new ATOM 356 N VAL A 27 -17.707 -26.775 17.228 1.00 0.00 N ATOM 357 CA VAL A 27 -17.360 -27.748 16.195 1.00 0.00 C ATOM 358 C VAL A 27 -18.351 -27.677 15.044 1.00 0.00 C ATOM 359 O VAL A 27 -18.008 -27.937 13.892 1.00 0.00 O ATOM 360 CB VAL A 27 -17.376 -29.186 16.746 1.00 0.00 C ATOM 361 CG1 VAL A 27 -18.804 -29.649 16.987 1.00 0.00 C ATOM 362 CG2 VAL A 27 -16.720 -30.141 15.760 1.00 0.00 C ATOM 0 H VAL A 27 -18.134 -27.184 18.059 1.00 0.00 H new ATOM 0 HA VAL A 27 -16.355 -27.501 15.851 1.00 0.00 H new ATOM 0 HB VAL A 27 -16.824 -29.188 17.686 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -18.796 -30.667 17.376 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -19.284 -28.988 17.709 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -19.358 -29.624 16.049 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.740 -31.153 16.165 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -17.263 -30.118 14.815 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.687 -29.838 15.592 1.00 0.00 H new ATOM 372 N GLY A 28 -19.589 -27.319 15.372 1.00 0.00 N ATOM 373 CA GLY A 28 -20.656 -27.205 14.383 1.00 0.00 C ATOM 374 C GLY A 28 -20.482 -25.942 13.555 1.00 0.00 C ATOM 375 O GLY A 28 -20.967 -25.847 12.429 1.00 0.00 O ATOM 0 H GLY A 28 -19.880 -27.101 16.325 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -20.650 -28.078 13.731 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.624 -27.188 14.884 1.00 0.00 H new ATOM 379 N ALA A 29 -19.780 -24.970 14.131 1.00 0.00 N ATOM 380 CA ALA A 29 -19.523 -23.695 13.469 1.00 0.00 C ATOM 381 C ALA A 29 -18.305 -23.800 12.564 1.00 0.00 C ATOM 382 O ALA A 29 -18.233 -23.159 11.517 1.00 0.00 O ATOM 383 CB ALA A 29 -19.266 -22.605 14.499 1.00 0.00 C ATOM 0 H ALA A 29 -19.375 -25.043 15.064 1.00 0.00 H new ATOM 0 HA ALA A 29 -20.402 -23.444 12.876 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -19.076 -21.660 13.989 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.139 -22.500 15.144 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.399 -22.872 15.103 1.00 0.00 H new ATOM 389 N LEU A 30 -17.347 -24.621 12.985 1.00 0.00 N ATOM 390 CA LEU A 30 -16.115 -24.833 12.230 1.00 0.00 C ATOM 391 C LEU A 30 -16.430 -25.280 10.812 1.00 0.00 C ATOM 392 O LEU A 30 -15.687 -24.992 9.875 1.00 0.00 O ATOM 393 CB LEU A 30 -15.256 -25.910 12.897 1.00 0.00 C ATOM 394 CG LEU A 30 -14.609 -25.530 14.230 1.00 0.00 C ATOM 395 CD1 LEU A 30 -13.894 -26.727 14.840 1.00 0.00 C ATOM 396 CD2 LEU A 30 -13.591 -24.417 14.036 1.00 0.00 C ATOM 0 H LEU A 30 -17.401 -25.155 13.853 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.572 -23.888 12.208 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.876 -26.792 13.057 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -14.466 -26.197 12.203 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.405 -25.193 14.895 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.441 -26.436 15.787 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.611 -27.530 15.012 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.118 -27.074 14.158 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.143 -24.162 14.996 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.813 -24.751 13.350 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.087 -23.539 13.622 1.00 0.00 H new ATOM 408 N VAL A 31 -17.545 -25.990 10.667 1.00 0.00 N ATOM 409 CA VAL A 31 -17.987 -26.493 9.369 1.00 0.00 C ATOM 410 C VAL A 31 -18.096 -25.356 8.367 1.00 0.00 C ATOM 411 O VAL A 31 -17.818 -25.525 7.181 1.00 0.00 O ATOM 412 CB VAL A 31 -19.366 -27.172 9.467 1.00 0.00 C ATOM 413 CG1 VAL A 31 -19.907 -27.481 8.079 1.00 0.00 C ATOM 414 CG2 VAL A 31 -19.264 -28.475 10.244 1.00 0.00 C ATOM 0 H VAL A 31 -18.165 -26.232 11.440 1.00 0.00 H new ATOM 0 HA VAL A 31 -17.245 -27.221 9.042 1.00 0.00 H new ATOM 0 HB VAL A 31 -20.038 -26.486 9.982 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -20.882 -27.961 8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.008 -26.555 7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -19.219 -28.149 7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -20.248 -28.941 10.303 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -18.573 -29.148 9.736 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.898 -28.271 11.250 1.00 0.00 H new ATOM 424 N ILE A 32 -18.507 -24.192 8.861 1.00 0.00 N ATOM 425 CA ILE A 32 -18.664 -23.002 8.028 1.00 0.00 C ATOM 426 C ILE A 32 -17.317 -22.548 7.490 1.00 0.00 C ATOM 427 O ILE A 32 -17.189 -22.181 6.323 1.00 0.00 O ATOM 428 CB ILE A 32 -19.275 -21.833 8.823 1.00 0.00 C ATOM 429 CG1 ILE A 32 -20.718 -22.153 9.217 1.00 0.00 C ATOM 430 CG2 ILE A 32 -19.274 -20.562 7.987 1.00 0.00 C ATOM 431 CD1 ILE A 32 -21.313 -21.173 10.205 1.00 0.00 C ATOM 0 H ILE A 32 -18.740 -24.046 9.843 1.00 0.00 H new ATOM 0 HA ILE A 32 -19.331 -23.274 7.210 1.00 0.00 H new ATOM 0 HB ILE A 32 -18.670 -21.686 9.718 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -21.335 -22.169 8.319 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -20.754 -23.154 9.646 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -19.709 -19.746 8.564 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -18.250 -20.307 7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.862 -20.721 7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -22.337 -21.466 10.436 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.720 -21.174 11.120 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.310 -20.173 9.772 1.00 0.00 H new ATOM 443 N LEU A 33 -16.311 -22.578 8.360 1.00 0.00 N ATOM 444 CA LEU A 33 -14.956 -22.172 7.999 1.00 0.00 C ATOM 445 C LEU A 33 -14.403 -23.075 6.908 1.00 0.00 C ATOM 446 O LEU A 33 -13.861 -22.606 5.908 1.00 0.00 O ATOM 447 CB LEU A 33 -14.030 -22.258 9.214 1.00 0.00 C ATOM 448 CG LEU A 33 -14.238 -21.201 10.301 1.00 0.00 C ATOM 449 CD1 LEU A 33 -13.343 -21.479 11.499 1.00 0.00 C ATOM 450 CD2 LEU A 33 -13.907 -19.814 9.772 1.00 0.00 C ATOM 0 H LEU A 33 -16.411 -22.882 9.328 1.00 0.00 H new ATOM 0 HA LEU A 33 -15.001 -21.144 7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.150 -23.242 9.667 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.000 -22.191 8.864 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.285 -21.244 10.602 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.506 -20.716 12.260 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.581 -22.460 11.911 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.299 -21.461 11.185 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.062 -19.077 10.560 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.866 -19.787 9.449 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.556 -19.583 8.927 1.00 0.00 H new ATOM 462 N ALA A 34 -14.549 -24.380 7.114 1.00 0.00 N ATOM 463 CA ALA A 34 -14.072 -25.378 6.160 1.00 0.00 C ATOM 464 C ALA A 34 -14.730 -25.177 4.805 1.00 0.00 C ATOM 465 O ALA A 34 -14.087 -25.286 3.762 1.00 0.00 O ATOM 466 CB ALA A 34 -14.399 -26.780 6.651 1.00 0.00 C ATOM 0 H ALA A 34 -14.998 -24.775 7.941 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.992 -25.260 6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.037 -27.512 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.916 -26.950 7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -15.478 -26.884 6.763 1.00 0.00 H new ATOM 472 N VAL A 35 -16.026 -24.882 4.834 1.00 0.00 N ATOM 473 CA VAL A 35 -16.803 -24.659 3.618 1.00 0.00 C ATOM 474 C VAL A 35 -16.172 -23.562 2.777 1.00 0.00 C ATOM 475 O VAL A 35 -16.059 -23.680 1.558 1.00 0.00 O ATOM 476 CB VAL A 35 -18.248 -24.236 3.941 1.00 0.00 C ATOM 477 CG1 VAL A 35 -18.974 -23.809 2.675 1.00 0.00 C ATOM 478 CG2 VAL A 35 -19.014 -25.391 4.568 1.00 0.00 C ATOM 0 H VAL A 35 -16.565 -24.791 5.695 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.813 -25.602 3.072 1.00 0.00 H new ATOM 0 HB VAL A 35 -18.201 -23.401 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -19.994 -23.513 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -18.451 -22.966 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -18.998 -24.641 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -20.033 -25.074 4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.038 -26.231 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.520 -25.697 5.490 1.00 0.00 H new ATOM 488 N ALA A 36 -15.761 -22.489 3.447 1.00 0.00 N ATOM 489 CA ALA A 36 -15.134 -21.348 2.785 1.00 0.00 C ATOM 490 C ALA A 36 -13.804 -21.754 2.171 1.00 0.00 C ATOM 491 O ALA A 36 -13.507 -21.426 1.023 1.00 0.00 O ATOM 492 CB ALA A 36 -14.882 -20.228 3.783 1.00 0.00 C ATOM 0 H ALA A 36 -15.852 -22.385 4.458 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.811 -21.002 2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.414 -19.385 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.829 -19.909 4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.222 -20.586 4.573 1.00 0.00 H new ATOM 498 N GLY A 37 -13.006 -22.475 2.953 1.00 0.00 N ATOM 499 CA GLY A 37 -11.695 -22.942 2.512 1.00 0.00 C ATOM 500 C GLY A 37 -11.801 -23.616 1.153 1.00 0.00 C ATOM 501 O GLY A 37 -11.179 -23.189 0.181 1.00 0.00 O ATOM 0 H GLY A 37 -13.248 -22.751 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.003 -22.102 2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.287 -23.642 3.241 1.00 0.00 H new ATOM 505 N LEU A 38 -12.599 -24.678 1.099 1.00 0.00 N ATOM 506 CA LEU A 38 -12.808 -25.436 -0.132 1.00 0.00 C ATOM 507 C LEU A 38 -13.400 -24.545 -1.211 1.00 0.00 C ATOM 508 O LEU A 38 -13.037 -24.638 -2.382 1.00 0.00 O ATOM 509 CB LEU A 38 -13.768 -26.602 0.113 1.00 0.00 C ATOM 510 CG LEU A 38 -13.227 -27.760 0.954 1.00 0.00 C ATOM 511 CD1 LEU A 38 -14.319 -28.784 1.225 1.00 0.00 C ATOM 512 CD2 LEU A 38 -12.086 -28.461 0.233 1.00 0.00 C ATOM 0 H LEU A 38 -13.117 -25.036 1.902 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.839 -25.816 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.661 -26.213 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.080 -26.998 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.870 -27.341 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.913 -29.599 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.137 -28.309 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.690 -29.179 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.716 -29.281 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.444 -28.854 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.279 -27.751 0.052 1.00 0.00 H new ATOM 524 N ILE A 39 -14.319 -23.677 -0.800 1.00 0.00 N ATOM 525 CA ILE A 39 -14.982 -22.750 -1.713 1.00 0.00 C ATOM 526 C ILE A 39 -13.962 -21.865 -2.408 1.00 0.00 C ATOM 527 O ILE A 39 -14.031 -21.642 -3.616 1.00 0.00 O ATOM 528 CB ILE A 39 -15.972 -21.835 -0.968 1.00 0.00 C ATOM 529 CG1 ILE A 39 -17.151 -22.650 -0.432 1.00 0.00 C ATOM 530 CG2 ILE A 39 -16.512 -20.763 -1.902 1.00 0.00 C ATOM 531 CD1 ILE A 39 -17.951 -23.349 -1.509 1.00 0.00 C ATOM 0 H ILE A 39 -14.624 -23.596 0.170 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.522 -23.356 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 39 -15.438 -21.368 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -16.776 -23.395 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -17.813 -21.989 0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.210 -20.125 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.686 -20.159 -2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.027 -21.235 -2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -18.769 -23.906 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.357 -22.609 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -17.304 -24.037 -2.054 1.00 0.00 H new ATOM 543 N TYR A 40 -13.011 -21.362 -1.626 1.00 0.00 N ATOM 544 CA TYR A 40 -11.956 -20.493 -2.141 1.00 0.00 C ATOM 545 C TYR A 40 -11.014 -21.275 -3.042 1.00 0.00 C ATOM 546 O TYR A 40 -10.596 -20.794 -4.094 1.00 0.00 O ATOM 547 CB TYR A 40 -11.142 -19.899 -0.990 1.00 0.00 C ATOM 548 CG TYR A 40 -10.041 -18.963 -1.437 1.00 0.00 C ATOM 549 CD1 TYR A 40 -10.330 -17.662 -1.828 1.00 0.00 C ATOM 550 CD2 TYR A 40 -8.718 -19.384 -1.467 1.00 0.00 C ATOM 551 CE1 TYR A 40 -9.331 -16.800 -2.238 1.00 0.00 C ATOM 552 CE2 TYR A 40 -7.706 -18.536 -1.874 1.00 0.00 C ATOM 553 CZ TYR A 40 -8.023 -17.234 -2.261 1.00 0.00 C ATOM 554 OH TYR A 40 -7.027 -16.378 -2.669 1.00 0.00 O ATOM 0 H TYR A 40 -12.949 -21.543 -0.624 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.432 -19.694 -2.709 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.815 -19.360 -0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -10.702 -20.712 -0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.354 -17.318 -1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -8.476 -20.393 -1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.574 -15.792 -2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.682 -18.877 -1.892 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.163 -16.838 -2.626 1.00 0.00 H new ATOM 564 N SER A 41 -10.685 -22.491 -2.614 1.00 0.00 N ATOM 565 CA SER A 41 -9.792 -23.366 -3.365 1.00 0.00 C ATOM 566 C SER A 41 -10.364 -23.657 -4.743 1.00 0.00 C ATOM 567 O SER A 41 -9.682 -23.519 -5.757 1.00 0.00 O ATOM 568 CB SER A 41 -9.602 -24.695 -2.631 1.00 0.00 C ATOM 569 OG SER A 41 -8.921 -24.506 -1.403 1.00 0.00 O ATOM 0 H SER A 41 -11.028 -22.895 -1.742 1.00 0.00 H new ATOM 0 HA SER A 41 -8.834 -22.856 -3.463 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.573 -25.154 -2.445 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.039 -25.384 -3.260 1.00 0.00 H new ATOM 0 HG SER A 41 -9.522 -24.077 -0.758 1.00 0.00 H new ATOM 575 N MET A 42 -11.630 -24.063 -4.765 1.00 0.00 N ATOM 576 CA MET A 42 -12.326 -24.381 -6.009 1.00 0.00 C ATOM 577 C MET A 42 -12.450 -23.143 -6.882 1.00 0.00 C ATOM 578 O MET A 42 -12.273 -23.202 -8.098 1.00 0.00 O ATOM 579 CB MET A 42 -13.732 -24.909 -5.717 1.00 0.00 C ATOM 580 CG MET A 42 -14.501 -25.345 -6.953 1.00 0.00 C ATOM 581 SD MET A 42 -16.139 -25.989 -6.562 1.00 0.00 S ATOM 582 CE MET A 42 -16.983 -24.490 -6.065 1.00 0.00 C ATOM 0 H MET A 42 -12.200 -24.181 -3.927 1.00 0.00 H new ATOM 0 HA MET A 42 -11.745 -25.143 -6.528 1.00 0.00 H new ATOM 0 HB2 MET A 42 -13.656 -25.754 -5.033 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.300 -24.133 -5.204 1.00 0.00 H new ATOM 0 HG2 MET A 42 -14.601 -24.498 -7.632 1.00 0.00 H new ATOM 0 HG3 MET A 42 -13.931 -26.110 -7.480 1.00 0.00 H new ATOM 0 HE1 MET A 42 -18.057 -24.671 -6.032 1.00 0.00 H new ATOM 0 HE2 MET A 42 -16.636 -24.187 -5.077 1.00 0.00 H new ATOM 0 HE3 MET A 42 -16.770 -23.698 -6.783 1.00 0.00 H new ATOM 592 N LEU A 43 -12.759 -22.019 -6.243 1.00 0.00 N ATOM 593 CA LEU A 43 -12.915 -20.744 -6.937 1.00 0.00 C ATOM 594 C LEU A 43 -11.559 -20.181 -7.328 1.00 0.00 C ATOM 595 O LEU A 43 -11.386 -19.637 -8.417 1.00 0.00 O ATOM 596 CB LEU A 43 -13.619 -19.727 -6.037 1.00 0.00 C ATOM 597 CG LEU A 43 -15.103 -19.979 -5.760 1.00 0.00 C ATOM 598 CD1 LEU A 43 -15.641 -18.972 -4.756 1.00 0.00 C ATOM 599 CD2 LEU A 43 -15.917 -19.858 -7.039 1.00 0.00 C ATOM 0 H LEU A 43 -12.908 -21.965 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 43 -13.513 -20.924 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.094 -19.694 -5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.518 -18.741 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.193 -20.988 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -16.697 -19.169 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -15.088 -19.060 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.523 -17.964 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.969 -20.041 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.801 -18.855 -7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.565 -20.591 -7.765 1.00 0.00 H new ATOM 611 N ARG A 44 -10.596 -20.321 -6.422 1.00 0.00 N ATOM 612 CA ARG A 44 -9.238 -19.834 -6.645 1.00 0.00 C ATOM 613 C ARG A 44 -8.441 -20.835 -7.466 1.00 0.00 C ATOM 614 O ARG A 44 -7.580 -20.464 -8.262 1.00 0.00 O ATOM 615 CB ARG A 44 -8.519 -19.622 -5.311 1.00 0.00 C ATOM 616 CG ARG A 44 -7.126 -19.028 -5.444 1.00 0.00 C ATOM 617 CD ARG A 44 -7.182 -17.602 -5.969 1.00 0.00 C ATOM 618 NE ARG A 44 -5.852 -17.010 -6.088 1.00 0.00 N ATOM 619 CZ ARG A 44 -5.602 -15.844 -6.673 1.00 0.00 C ATOM 620 NH1 ARG A 44 -6.596 -15.139 -7.197 1.00 0.00 N ATOM 621 NH2 ARG A 44 -4.360 -15.384 -6.734 1.00 0.00 N ATOM 0 H ARG A 44 -10.733 -20.772 -5.518 1.00 0.00 H new ATOM 0 HA ARG A 44 -9.309 -18.888 -7.182 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.124 -18.966 -4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -8.446 -20.579 -4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.628 -19.042 -4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.529 -19.643 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.671 -17.593 -6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.791 -16.993 -5.301 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.064 -17.526 -5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.552 -15.492 -7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.405 -14.244 -7.646 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.595 -15.926 -6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.169 -14.488 -7.184 1.00 0.00 H new ATOM 635 N LYS A 45 -8.741 -22.114 -7.260 1.00 0.00 N ATOM 636 CA LYS A 45 -8.067 -23.197 -7.970 1.00 0.00 C ATOM 637 C LYS A 45 -8.536 -23.260 -9.414 1.00 0.00 C ATOM 638 O LYS A 45 -7.732 -23.371 -10.339 1.00 0.00 O ATOM 639 CB LYS A 45 -8.367 -24.542 -7.305 1.00 0.00 C ATOM 640 CG LYS A 45 -7.661 -25.724 -7.949 1.00 0.00 C ATOM 641 CD LYS A 45 -7.959 -27.016 -7.207 1.00 0.00 C ATOM 642 CE LYS A 45 -7.264 -28.201 -7.859 1.00 0.00 C ATOM 643 NZ LYS A 45 -7.537 -29.473 -7.135 1.00 0.00 N ATOM 0 H LYS A 45 -9.453 -22.428 -6.601 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.996 -22.999 -7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.079 -24.488 -6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.443 -24.716 -7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.977 -25.817 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.585 -25.547 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.633 -26.926 -6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.035 -27.188 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.597 -28.293 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.189 -28.022 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.045 -30.256 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.196 -29.395 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.560 -29.658 -7.132 1.00 0.00 H new ATOM 657 N ALA A 46 -9.851 -23.188 -9.595 1.00 0.00 N ATOM 658 CA ALA A 46 -10.460 -23.235 -10.921 1.00 0.00 C ATOM 659 C ALA A 46 -11.974 -23.128 -10.798 1.00 0.00 C ATOM 660 O ALA A 46 -12.503 -23.021 -9.694 1.00 0.00 O ATOM 661 CB ALA A 46 -10.065 -24.534 -11.616 1.00 0.00 C ATOM 0 H ALA A 46 -10.522 -23.096 -8.832 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.104 -22.396 -11.518 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.519 -24.570 -12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.980 -24.580 -11.713 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.413 -25.382 -11.026 1.00 0.00 H new