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= -2.09 K(o=-3.3,f=-1) USER MOD Set 1.2: A 19 MET CE :methyl -173:sc= -1.18 (180deg=-0.341) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.185 (180deg=-0.687) USER MOD Single : A 5 THR OG1 : rot -9:sc= 0.292 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 114:sc= 1 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 74:sc= 0.297 USER MOD Single : A 42 MET CE :methyl 166:sc=-0.00962 (180deg=-0.24) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.094 -13.989 77.072 1.00 0.00 N ATOM 2 CA GLY A 1 -30.101 -12.949 77.115 1.00 0.00 C ATOM 3 C GLY A 1 -29.874 -11.958 75.985 1.00 0.00 C ATOM 4 O GLY A 1 -28.942 -12.102 75.197 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.552 -14.919 77.153 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.577 -13.935 76.171 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.429 -13.861 77.861 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.094 -13.390 77.029 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.063 -12.434 78.075 1.00 0.00 H new ATOM 8 N VAL A 2 -30.741 -10.951 75.920 1.00 0.00 N ATOM 9 CA VAL A 2 -30.660 -9.916 74.894 1.00 0.00 C ATOM 10 C VAL A 2 -29.446 -9.031 75.125 1.00 0.00 C ATOM 11 O VAL A 2 -28.716 -8.697 74.193 1.00 0.00 O ATOM 12 CB VAL A 2 -31.910 -9.016 74.900 1.00 0.00 C ATOM 13 CG1 VAL A 2 -31.723 -7.838 73.956 1.00 0.00 C ATOM 14 CG2 VAL A 2 -33.133 -9.801 74.453 1.00 0.00 C ATOM 0 H VAL A 2 -31.515 -10.830 76.573 1.00 0.00 H new ATOM 0 HA VAL A 2 -30.584 -10.427 73.934 1.00 0.00 H new ATOM 0 HB VAL A 2 -32.054 -8.654 75.918 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -32.616 -7.213 73.973 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -30.862 -7.250 74.274 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -31.557 -8.206 72.944 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -34.007 -9.150 74.463 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -32.974 -10.179 73.443 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -33.296 -10.638 75.132 1.00 0.00 H new ATOM 24 N ILE A 3 -29.240 -8.655 76.384 1.00 0.00 N ATOM 25 CA ILE A 3 -28.118 -7.806 76.771 1.00 0.00 C ATOM 26 C ILE A 3 -26.801 -8.536 76.563 1.00 0.00 C ATOM 27 O ILE A 3 -25.813 -7.953 76.119 1.00 0.00 O ATOM 28 CB ILE A 3 -28.204 -7.398 78.254 1.00 0.00 C ATOM 29 CG1 ILE A 3 -29.407 -6.482 78.486 1.00 0.00 C ATOM 30 CG2 ILE A 3 -26.945 -6.657 78.676 1.00 0.00 C ATOM 31 CD1 ILE A 3 -29.711 -6.232 79.947 1.00 0.00 C ATOM 0 H ILE A 3 -29.842 -8.928 77.160 1.00 0.00 H new ATOM 0 HA ILE A 3 -28.165 -6.915 76.145 1.00 0.00 H new ATOM 0 HB ILE A 3 -28.312 -8.308 78.845 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -29.225 -5.527 77.994 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -30.284 -6.923 78.012 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -27.023 -6.376 79.726 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -26.078 -7.303 78.536 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -26.830 -5.760 78.068 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -30.576 -5.574 80.031 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -29.926 -7.179 80.441 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -28.850 -5.762 80.422 1.00 0.00 H new ATOM 43 N ASP A 4 -26.801 -9.825 76.891 1.00 0.00 N ATOM 44 CA ASP A 4 -25.615 -10.665 76.751 1.00 0.00 C ATOM 45 C ASP A 4 -25.045 -10.551 75.346 1.00 0.00 C ATOM 46 O ASP A 4 -23.831 -10.493 75.155 1.00 0.00 O ATOM 47 CB ASP A 4 -25.963 -12.131 77.014 1.00 0.00 C ATOM 48 CG ASP A 4 -26.250 -12.409 78.477 1.00 0.00 C ATOM 49 OD1 ASP A 4 -26.401 -13.595 78.838 1.00 0.00 O ATOM 50 OD2 ASP A 4 -26.325 -11.440 79.262 1.00 0.00 O ATOM 0 H ASP A 4 -27.617 -10.314 77.259 1.00 0.00 H new ATOM 0 HA ASP A 4 -24.878 -10.324 77.478 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -26.833 -12.407 76.418 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -25.138 -12.761 76.683 1.00 0.00 H new ATOM 56 N THR A 5 -25.941 -10.520 74.363 1.00 0.00 N ATOM 57 CA THR A 5 -25.555 -10.414 72.959 1.00 0.00 C ATOM 58 C THR A 5 -25.584 -8.962 72.508 1.00 0.00 C ATOM 59 O THR A 5 -25.271 -8.646 71.362 1.00 0.00 O ATOM 60 CB THR A 5 -26.508 -11.212 72.050 1.00 0.00 C ATOM 61 OG1 THR A 5 -27.836 -10.685 72.165 1.00 0.00 O ATOM 62 CG2 THR A 5 -26.524 -12.679 72.452 1.00 0.00 C ATOM 0 H THR A 5 -26.948 -10.567 74.516 1.00 0.00 H new ATOM 0 HA THR A 5 -24.547 -10.821 72.875 1.00 0.00 H new ATOM 0 HB THR A 5 -26.158 -11.126 71.021 1.00 0.00 H new ATOM 0 HG1 THR A 5 -27.869 -10.038 72.900 1.00 0.00 H new ATOM 0 HG21 THR A 5 -27.203 -13.228 71.799 1.00 0.00 H new ATOM 0 HG22 THR A 5 -25.519 -13.092 72.361 1.00 0.00 H new ATOM 0 HG23 THR A 5 -26.861 -12.770 73.485 1.00 0.00 H new ATOM 70 N SER A 6 -25.966 -8.082 73.429 1.00 0.00 N ATOM 71 CA SER A 6 -26.047 -6.651 73.153 1.00 0.00 C ATOM 72 C SER A 6 -24.772 -6.165 72.481 1.00 0.00 C ATOM 73 O SER A 6 -24.798 -5.650 71.364 1.00 0.00 O ATOM 74 CB SER A 6 -26.239 -5.865 74.451 1.00 0.00 C ATOM 75 OG SER A 6 -26.310 -4.472 74.199 1.00 0.00 O ATOM 0 H SER A 6 -26.226 -8.338 74.381 1.00 0.00 H new ATOM 0 HA SER A 6 -26.899 -6.488 72.492 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.152 -6.195 74.948 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.413 -6.073 75.131 1.00 0.00 H new ATOM 0 HG SER A 6 -26.435 -3.993 75.045 1.00 0.00 H new ATOM 81 N ALA A 7 -23.654 -6.336 73.180 1.00 0.00 N ATOM 82 CA ALA A 7 -22.348 -5.923 72.674 1.00 0.00 C ATOM 83 C ALA A 7 -22.025 -6.648 71.377 1.00 0.00 C ATOM 84 O ALA A 7 -21.504 -6.059 70.431 1.00 0.00 O ATOM 85 CB ALA A 7 -21.261 -6.243 73.688 1.00 0.00 C ATOM 0 H ALA A 7 -23.627 -6.762 74.107 1.00 0.00 H new ATOM 0 HA ALA A 7 -22.384 -4.848 72.496 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -20.294 -5.929 73.296 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -21.464 -5.713 74.619 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -21.245 -7.316 73.877 1.00 0.00 H new ATOM 91 N VAL A 8 -22.344 -7.939 71.346 1.00 0.00 N ATOM 92 CA VAL A 8 -22.100 -8.774 70.174 1.00 0.00 C ATOM 93 C VAL A 8 -22.909 -8.277 68.988 1.00 0.00 C ATOM 94 O VAL A 8 -22.421 -8.229 67.860 1.00 0.00 O ATOM 95 CB VAL A 8 -22.493 -10.240 70.434 1.00 0.00 C ATOM 96 CG1 VAL A 8 -22.429 -11.045 69.145 1.00 0.00 C ATOM 97 CG2 VAL A 8 -21.549 -10.874 71.444 1.00 0.00 C ATOM 0 H VAL A 8 -22.776 -8.433 72.127 1.00 0.00 H new ATOM 0 HA VAL A 8 -21.033 -8.715 69.960 1.00 0.00 H new ATOM 0 HB VAL A 8 -23.511 -10.247 70.824 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -22.710 -12.079 69.347 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -23.117 -10.618 68.415 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -21.414 -11.016 68.748 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -21.842 -11.910 71.615 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -20.530 -10.844 71.058 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -21.598 -10.323 72.383 1.00 0.00 H new ATOM 107 N GLU A 9 -24.158 -7.907 69.258 1.00 0.00 N ATOM 108 CA GLU A 9 -25.064 -7.406 68.228 1.00 0.00 C ATOM 109 C GLU A 9 -24.461 -6.197 67.531 1.00 0.00 C ATOM 110 O GLU A 9 -24.584 -6.036 66.318 1.00 0.00 O ATOM 111 CB GLU A 9 -26.401 -6.991 68.846 1.00 0.00 C ATOM 112 CG GLU A 9 -27.433 -6.521 67.834 1.00 0.00 C ATOM 113 CD GLU A 9 -28.760 -6.167 68.477 1.00 0.00 C ATOM 114 OE1 GLU A 9 -28.871 -6.288 69.715 1.00 0.00 O ATOM 115 OE2 GLU A 9 -29.688 -5.768 67.742 1.00 0.00 O ATOM 0 H GLU A 9 -24.569 -7.945 70.191 1.00 0.00 H new ATOM 0 HA GLU A 9 -25.223 -8.208 67.507 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -26.810 -7.835 69.401 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -26.224 -6.192 69.566 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -27.047 -5.651 67.304 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -27.590 -7.303 67.091 1.00 0.00 H new ATOM 123 N SER A 10 -23.807 -5.348 68.317 1.00 0.00 N ATOM 124 CA SER A 10 -23.171 -4.140 67.801 1.00 0.00 C ATOM 125 C SER A 10 -21.814 -4.466 67.200 1.00 0.00 C ATOM 126 O SER A 10 -21.491 -4.043 66.091 1.00 0.00 O ATOM 127 CB SER A 10 -22.969 -3.120 68.923 1.00 0.00 C ATOM 128 OG SER A 10 -24.212 -2.688 69.449 1.00 0.00 O ATOM 0 H SER A 10 -23.703 -5.476 69.324 1.00 0.00 H new ATOM 0 HA SER A 10 -23.824 -3.724 67.034 1.00 0.00 H new ATOM 0 HB2 SER A 10 -22.368 -3.563 69.718 1.00 0.00 H new ATOM 0 HB3 SER A 10 -22.413 -2.262 68.544 1.00 0.00 H new ATOM 0 HG SER A 10 -24.056 -2.038 70.166 1.00 0.00 H new ATOM 134 N ALA A 11 -21.021 -5.226 67.951 1.00 0.00 N ATOM 135 CA ALA A 11 -19.687 -5.628 67.516 1.00 0.00 C ATOM 136 C ALA A 11 -19.775 -6.562 66.320 1.00 0.00 C ATOM 137 O ALA A 11 -18.973 -6.483 65.391 1.00 0.00 O ATOM 138 CB ALA A 11 -18.959 -6.351 68.639 1.00 0.00 C ATOM 0 H ALA A 11 -21.283 -5.578 68.872 1.00 0.00 H new ATOM 0 HA ALA A 11 -19.141 -4.726 67.240 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -17.966 -6.644 68.299 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -18.867 -5.688 69.499 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.522 -7.240 68.925 1.00 0.00 H new ATOM 144 N ILE A 12 -20.763 -7.451 66.356 1.00 0.00 N ATOM 145 CA ILE A 12 -20.984 -8.417 65.285 1.00 0.00 C ATOM 146 C ILE A 12 -21.419 -7.710 64.012 1.00 0.00 C ATOM 147 O ILE A 12 -20.919 -7.993 62.924 1.00 0.00 O ATOM 148 CB ILE A 12 -22.078 -9.434 65.659 1.00 0.00 C ATOM 149 CG1 ILE A 12 -21.610 -10.321 66.815 1.00 0.00 C ATOM 150 CG2 ILE A 12 -22.406 -10.325 64.471 1.00 0.00 C ATOM 151 CD1 ILE A 12 -20.371 -11.130 66.500 1.00 0.00 C ATOM 0 H ILE A 12 -21.430 -7.522 67.124 1.00 0.00 H new ATOM 0 HA ILE A 12 -20.040 -8.939 65.129 1.00 0.00 H new ATOM 0 HB ILE A 12 -22.965 -8.875 65.957 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -21.412 -9.694 67.685 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -22.417 -11.001 67.089 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -23.181 -11.038 64.754 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -22.762 -9.711 63.643 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -21.511 -10.866 64.164 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -20.100 -11.733 67.367 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -20.569 -11.784 65.651 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -19.549 -10.457 66.256 1.00 0.00 H new ATOM 163 N THR A 13 -22.362 -6.784 64.163 1.00 0.00 N ATOM 164 CA THR A 13 -22.889 -6.016 63.038 1.00 0.00 C ATOM 165 C THR A 13 -21.800 -5.145 62.432 1.00 0.00 C ATOM 166 O THR A 13 -21.678 -5.036 61.213 1.00 0.00 O ATOM 167 CB THR A 13 -24.044 -5.095 63.475 1.00 0.00 C ATOM 168 OG1 THR A 13 -25.125 -5.888 63.982 1.00 0.00 O ATOM 169 CG2 THR A 13 -24.545 -4.275 62.296 1.00 0.00 C ATOM 0 H THR A 13 -22.780 -6.546 65.062 1.00 0.00 H new ATOM 0 HA THR A 13 -23.255 -6.736 62.306 1.00 0.00 H new ATOM 0 HB THR A 13 -23.677 -4.422 64.250 1.00 0.00 H new ATOM 0 HG1 THR A 13 -25.239 -5.712 64.939 1.00 0.00 H new ATOM 0 HG21 THR A 13 -25.361 -3.630 62.622 1.00 0.00 H new ATOM 0 HG22 THR A 13 -23.732 -3.663 61.907 1.00 0.00 H new ATOM 0 HG23 THR A 13 -24.902 -4.944 61.513 1.00 0.00 H new ATOM 177 N ASP A 14 -21.008 -4.524 63.303 1.00 0.00 N ATOM 178 CA ASP A 14 -19.917 -3.652 62.881 1.00 0.00 C ATOM 179 C ASP A 14 -18.814 -4.462 62.220 1.00 0.00 C ATOM 180 O ASP A 14 -18.352 -4.134 61.128 1.00 0.00 O ATOM 181 CB ASP A 14 -19.323 -2.917 64.084 1.00 0.00 C ATOM 182 CG ASP A 14 -20.252 -1.853 64.634 1.00 0.00 C ATOM 183 OD1 ASP A 14 -19.823 -1.094 65.529 1.00 0.00 O ATOM 184 OD2 ASP A 14 -21.410 -1.778 64.171 1.00 0.00 O ATOM 0 H ASP A 14 -21.104 -4.611 64.315 1.00 0.00 H new ATOM 0 HA ASP A 14 -20.323 -2.931 62.171 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.096 -3.638 64.870 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.379 -2.455 63.793 1.00 0.00 H new ATOM 190 N GLY A 15 -18.398 -5.527 62.898 1.00 0.00 N ATOM 191 CA GLY A 15 -17.346 -6.407 62.398 1.00 0.00 C ATOM 192 C GLY A 15 -17.919 -7.423 61.423 1.00 0.00 C ATOM 193 O GLY A 15 -17.634 -7.388 60.227 1.00 0.00 O ATOM 0 H GLY A 15 -18.777 -5.804 63.804 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.574 -5.816 61.905 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.869 -6.923 63.231 1.00 0.00 H new ATOM 197 N GLN A 16 -18.734 -8.331 61.952 1.00 0.00 N ATOM 198 CA GLN A 16 -19.367 -9.373 61.150 1.00 0.00 C ATOM 199 C GLN A 16 -20.011 -8.774 59.910 1.00 0.00 C ATOM 200 O GLN A 16 -19.735 -9.189 58.786 1.00 0.00 O ATOM 201 CB GLN A 16 -20.450 -10.088 61.960 1.00 0.00 C ATOM 202 CG GLN A 16 -21.135 -11.222 61.214 1.00 0.00 C ATOM 203 CD GLN A 16 -20.189 -12.360 60.886 1.00 0.00 C ATOM 204 OE1 GLN A 16 -19.535 -12.911 61.772 1.00 0.00 O ATOM 205 NE2 GLN A 16 -20.112 -12.715 59.609 1.00 0.00 N ATOM 0 H GLN A 16 -18.973 -8.365 62.943 1.00 0.00 H new ATOM 0 HA GLN A 16 -18.593 -10.083 60.858 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -20.004 -10.484 62.872 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -21.202 -9.360 62.263 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -21.960 -11.602 61.817 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.567 -10.836 60.291 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.674 -12.229 58.910 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.491 -13.474 59.327 1.00 0.00 H new ATOM 214 N GLY A 17 -20.876 -7.788 60.132 1.00 0.00 N ATOM 215 CA GLY A 17 -21.578 -7.109 59.047 1.00 0.00 C ATOM 216 C GLY A 17 -20.595 -6.643 57.985 1.00 0.00 C ATOM 217 O GLY A 17 -20.805 -6.849 56.791 1.00 0.00 O ATOM 0 H GLY A 17 -21.109 -7.439 61.062 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -22.310 -7.783 58.602 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.129 -6.255 59.441 1.00 0.00 H new ATOM 221 N ASP A 18 -19.516 -6.011 58.438 1.00 0.00 N ATOM 222 CA ASP A 18 -18.478 -5.503 57.546 1.00 0.00 C ATOM 223 C ASP A 18 -17.939 -6.619 56.667 1.00 0.00 C ATOM 224 O ASP A 18 -17.256 -6.374 55.674 1.00 0.00 O ATOM 225 CB ASP A 18 -17.317 -4.919 58.353 1.00 0.00 C ATOM 226 CG ASP A 18 -17.683 -3.622 59.047 1.00 0.00 C ATOM 227 OD1 ASP A 18 -16.827 -2.715 59.102 1.00 0.00 O ATOM 228 OD2 ASP A 18 -18.827 -3.513 59.536 1.00 0.00 O ATOM 0 H ASP A 18 -19.337 -5.837 59.427 1.00 0.00 H new ATOM 0 HA ASP A 18 -18.924 -4.726 56.925 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -16.995 -5.647 59.098 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -16.470 -4.745 57.690 1.00 0.00 H new ATOM 234 N MET A 19 -18.255 -7.854 57.046 1.00 0.00 N ATOM 235 CA MET A 19 -17.814 -9.034 56.309 1.00 0.00 C ATOM 236 C MET A 19 -18.429 -9.054 54.919 1.00 0.00 C ATOM 237 O MET A 19 -17.761 -9.362 53.933 1.00 0.00 O ATOM 238 CB MET A 19 -18.232 -10.311 57.041 1.00 0.00 C ATOM 239 CG MET A 19 -17.741 -11.591 56.387 1.00 0.00 C ATOM 240 SD MET A 19 -18.243 -13.070 57.288 1.00 0.00 S ATOM 241 CE MET A 19 -17.242 -12.922 58.766 1.00 0.00 C ATOM 0 H MET A 19 -18.821 -8.064 57.868 1.00 0.00 H new ATOM 0 HA MET A 19 -16.728 -8.991 56.233 1.00 0.00 H new ATOM 0 HB2 MET A 19 -17.856 -10.271 58.063 1.00 0.00 H new ATOM 0 HB3 MET A 19 -19.320 -10.342 57.103 1.00 0.00 H new ATOM 0 HG2 MET A 19 -18.124 -11.644 55.368 1.00 0.00 H new ATOM 0 HG3 MET A 19 -16.654 -11.565 56.317 1.00 0.00 H new ATOM 0 HE1 MET A 19 -17.346 -13.825 59.368 1.00 0.00 H new ATOM 0 HE2 MET A 19 -16.197 -12.791 58.486 1.00 0.00 H new ATOM 0 HE3 MET A 19 -17.573 -12.060 59.345 1.00 0.00 H new ATOM 251 N LYS A 20 -19.714 -8.719 54.854 1.00 0.00 N ATOM 252 CA LYS A 20 -20.450 -8.690 53.593 1.00 0.00 C ATOM 253 C LYS A 20 -19.782 -7.741 52.610 1.00 0.00 C ATOM 254 O LYS A 20 -19.660 -8.038 51.423 1.00 0.00 O ATOM 255 CB LYS A 20 -21.887 -8.217 53.822 1.00 0.00 C ATOM 256 CG LYS A 20 -22.747 -8.216 52.569 1.00 0.00 C ATOM 257 CD LYS A 20 -24.173 -7.791 52.878 1.00 0.00 C ATOM 258 CE LYS A 20 -25.030 -7.775 51.623 1.00 0.00 C ATOM 259 NZ LYS A 20 -26.433 -7.372 51.913 1.00 0.00 N ATOM 0 H LYS A 20 -20.272 -8.461 55.668 1.00 0.00 H new ATOM 0 HA LYS A 20 -20.454 -9.701 53.187 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -22.354 -8.858 54.570 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -21.865 -7.209 54.235 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -22.316 -7.540 51.830 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -22.750 -9.212 52.127 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -24.608 -8.473 53.609 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -24.169 -6.799 53.331 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -24.597 -7.087 50.897 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -25.024 -8.765 51.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -26.984 -7.374 51.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -26.855 -8.043 52.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -26.442 -6.417 52.325 1.00 0.00 H new ATOM 273 N ALA A 21 -19.351 -6.592 53.123 1.00 0.00 N ATOM 274 CA ALA A 21 -18.689 -5.575 52.311 1.00 0.00 C ATOM 275 C ALA A 21 -17.325 -6.064 51.853 1.00 0.00 C ATOM 276 O ALA A 21 -16.928 -5.860 50.707 1.00 0.00 O ATOM 277 CB ALA A 21 -18.498 -4.297 53.114 1.00 0.00 C ATOM 0 H ALA A 21 -19.450 -6.340 54.107 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.320 -5.378 51.444 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -18.003 -3.549 52.495 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.469 -3.919 53.433 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -17.884 -4.506 53.990 1.00 0.00 H new ATOM 283 N ILE A 22 -16.611 -6.715 52.768 1.00 0.00 N ATOM 284 CA ILE A 22 -15.281 -7.246 52.485 1.00 0.00 C ATOM 285 C ILE A 22 -15.357 -8.331 51.423 1.00 0.00 C ATOM 286 O ILE A 22 -14.609 -8.319 50.447 1.00 0.00 O ATOM 287 CB ILE A 22 -14.638 -7.859 53.743 1.00 0.00 C ATOM 288 CG1 ILE A 22 -14.334 -6.768 54.772 1.00 0.00 C ATOM 289 CG2 ILE A 22 -13.337 -8.562 53.388 1.00 0.00 C ATOM 290 CD1 ILE A 22 -13.932 -7.303 56.129 1.00 0.00 C ATOM 0 H ILE A 22 -16.935 -6.888 53.719 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.674 -6.411 52.136 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.343 -8.577 54.161 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.534 -6.134 54.390 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.214 -6.135 54.887 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.897 -8.989 54.289 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.537 -9.357 52.670 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -12.643 -7.844 52.950 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -13.733 -6.471 56.804 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.740 -7.913 56.534 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.033 -7.912 56.028 1.00 0.00 H new ATOM 302 N GLY A 23 -16.273 -9.272 51.627 1.00 0.00 N ATOM 303 CA GLY A 23 -16.472 -10.383 50.699 1.00 0.00 C ATOM 304 C GLY A 23 -17.004 -9.875 49.368 1.00 0.00 C ATOM 305 O GLY A 23 -16.550 -10.289 48.302 1.00 0.00 O ATOM 0 H GLY A 23 -16.896 -9.288 52.435 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.530 -10.909 50.544 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.171 -11.101 51.127 1.00 0.00 H new ATOM 309 N GLY A 24 -17.975 -8.970 49.445 1.00 0.00 N ATOM 310 CA GLY A 24 -18.592 -8.386 48.258 1.00 0.00 C ATOM 311 C GLY A 24 -17.596 -7.506 47.519 1.00 0.00 C ATOM 312 O GLY A 24 -17.356 -7.681 46.326 1.00 0.00 O ATOM 0 H GLY A 24 -18.355 -8.622 50.326 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -18.946 -9.178 47.598 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -19.463 -7.797 48.546 1.00 0.00 H new ATOM 316 N TYR A 25 -17.020 -6.554 48.247 1.00 0.00 N ATOM 317 CA TYR A 25 -16.042 -5.627 47.685 1.00 0.00 C ATOM 318 C TYR A 25 -14.887 -6.389 47.056 1.00 0.00 C ATOM 319 O TYR A 25 -14.382 -6.018 45.997 1.00 0.00 O ATOM 320 CB TYR A 25 -15.481 -4.713 48.776 1.00 0.00 C ATOM 321 CG TYR A 25 -14.447 -3.728 48.279 1.00 0.00 C ATOM 322 CD1 TYR A 25 -14.828 -2.581 47.595 1.00 0.00 C ATOM 323 CD2 TYR A 25 -13.093 -3.949 48.496 1.00 0.00 C ATOM 324 CE1 TYR A 25 -13.890 -1.676 47.137 1.00 0.00 C ATOM 325 CE2 TYR A 25 -12.141 -3.055 48.045 1.00 0.00 C ATOM 326 CZ TYR A 25 -12.551 -1.911 47.361 1.00 0.00 C ATOM 327 OH TYR A 25 -11.615 -1.011 46.906 1.00 0.00 O ATOM 0 H TYR A 25 -17.216 -6.403 49.237 1.00 0.00 H new ATOM 0 HA TYR A 25 -16.548 -5.030 46.927 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -16.303 -4.162 49.233 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -15.036 -5.328 49.558 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -15.877 -2.393 47.418 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.779 -4.836 49.027 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -14.205 -0.789 46.606 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.091 -3.240 48.220 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.718 -1.323 47.146 1.00 0.00 H new ATOM 337 N ILE A 26 -14.474 -7.462 47.724 1.00 0.00 N ATOM 338 CA ILE A 26 -13.375 -8.300 47.252 1.00 0.00 C ATOM 339 C ILE A 26 -13.827 -9.159 46.082 1.00 0.00 C ATOM 340 O ILE A 26 -13.130 -9.280 45.076 1.00 0.00 O ATOM 341 CB ILE A 26 -12.865 -9.239 48.361 1.00 0.00 C ATOM 342 CG1 ILE A 26 -12.209 -8.433 49.483 1.00 0.00 C ATOM 343 CG2 ILE A 26 -11.838 -10.213 47.803 1.00 0.00 C ATOM 344 CD1 ILE A 26 -11.902 -9.247 50.721 1.00 0.00 C ATOM 0 H ILE A 26 -14.888 -7.774 48.602 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.572 -7.629 46.946 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.721 -9.789 48.752 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.284 -7.994 49.109 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.866 -7.607 49.756 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.488 -10.869 48.600 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.295 -10.811 47.015 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.994 -9.657 47.394 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.438 -8.607 51.472 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.826 -9.664 51.121 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.220 -10.057 50.464 1.00 0.00 H new ATOM 356 N VAL A 27 -15.006 -9.755 46.228 1.00 0.00 N ATOM 357 CA VAL A 27 -15.580 -10.614 45.195 1.00 0.00 C ATOM 358 C VAL A 27 -16.115 -9.776 44.044 1.00 0.00 C ATOM 359 O VAL A 27 -16.119 -10.208 42.892 1.00 0.00 O ATOM 360 CB VAL A 27 -16.743 -11.460 45.746 1.00 0.00 C ATOM 361 CG1 VAL A 27 -17.967 -10.590 45.987 1.00 0.00 C ATOM 362 CG2 VAL A 27 -17.119 -12.555 44.761 1.00 0.00 C ATOM 0 H VAL A 27 -15.588 -9.658 47.060 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.783 -11.273 44.851 1.00 0.00 H new ATOM 0 HB VAL A 27 -16.414 -11.904 46.685 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -18.779 -11.204 46.376 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -17.723 -9.811 46.709 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -18.277 -10.131 45.049 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -17.942 -13.143 45.167 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -17.425 -12.105 43.817 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -16.259 -13.203 44.592 1.00 0.00 H new ATOM 372 N GLY A 28 -16.567 -8.570 44.372 1.00 0.00 N ATOM 373 CA GLY A 28 -17.113 -7.646 43.383 1.00 0.00 C ATOM 374 C GLY A 28 -15.996 -7.032 42.555 1.00 0.00 C ATOM 375 O GLY A 28 -16.209 -6.586 41.429 1.00 0.00 O ATOM 0 H GLY A 28 -16.566 -8.207 45.325 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.810 -8.172 42.731 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.677 -6.859 43.884 1.00 0.00 H new ATOM 379 N ALA A 29 -14.797 -7.014 43.131 1.00 0.00 N ATOM 380 CA ALA A 29 -13.621 -6.459 42.469 1.00 0.00 C ATOM 381 C ALA A 29 -12.978 -7.498 41.564 1.00 0.00 C ATOM 382 O ALA A 29 -12.420 -7.174 40.517 1.00 0.00 O ATOM 383 CB ALA A 29 -12.593 -6.015 43.498 1.00 0.00 C ATOM 0 H ALA A 29 -14.614 -7.382 44.065 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.946 -5.604 41.876 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.722 -5.603 42.988 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.030 -5.253 44.143 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.289 -6.870 44.102 1.00 0.00 H new ATOM 389 N LEU A 30 -13.064 -8.757 41.985 1.00 0.00 N ATOM 390 CA LEU A 30 -12.498 -9.872 41.230 1.00 0.00 C ATOM 391 C LEU A 30 -13.045 -9.886 39.812 1.00 0.00 C ATOM 392 O LEU A 30 -12.371 -10.310 38.875 1.00 0.00 O ATOM 393 CB LEU A 30 -12.849 -11.204 41.897 1.00 0.00 C ATOM 394 CG LEU A 30 -12.158 -11.497 43.230 1.00 0.00 C ATOM 395 CD1 LEU A 30 -12.690 -12.784 43.840 1.00 0.00 C ATOM 396 CD2 LEU A 30 -10.657 -11.648 43.036 1.00 0.00 C ATOM 0 H LEU A 30 -13.524 -9.032 42.853 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.416 -9.743 41.208 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -13.927 -11.233 42.057 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.608 -12.009 41.202 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.364 -10.658 43.895 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.185 -12.974 44.787 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.762 -12.689 44.013 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.505 -13.614 43.158 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.185 -11.856 43.996 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.460 -12.471 42.349 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.249 -10.725 42.623 1.00 0.00 H new ATOM 408 N VAL A 31 -14.280 -9.416 39.667 1.00 0.00 N ATOM 409 CA VAL A 31 -14.948 -9.362 38.369 1.00 0.00 C ATOM 410 C VAL A 31 -14.101 -8.595 37.367 1.00 0.00 C ATOM 411 O VAL A 31 -14.071 -8.919 36.181 1.00 0.00 O ATOM 412 CB VAL A 31 -16.316 -8.662 38.467 1.00 0.00 C ATOM 413 CG1 VAL A 31 -16.888 -8.413 37.080 1.00 0.00 C ATOM 414 CG2 VAL A 31 -17.300 -9.522 39.245 1.00 0.00 C ATOM 0 H VAL A 31 -14.844 -9.064 40.440 1.00 0.00 H new ATOM 0 HA VAL A 31 -15.089 -10.392 38.042 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.167 -7.713 38.981 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.855 -7.918 37.169 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.206 -7.779 36.514 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.014 -9.364 36.562 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.261 -9.012 39.304 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -17.427 -10.478 38.738 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.917 -9.693 40.251 1.00 0.00 H new ATOM 424 N ILE A 32 -13.413 -7.571 37.861 1.00 0.00 N ATOM 425 CA ILE A 32 -12.552 -6.734 37.028 1.00 0.00 C ATOM 426 C ILE A 32 -11.383 -7.544 36.490 1.00 0.00 C ATOM 427 O ILE A 32 -11.012 -7.427 35.323 1.00 0.00 O ATOM 428 CB ILE A 32 -11.979 -5.546 37.823 1.00 0.00 C ATOM 429 CG1 ILE A 32 -13.098 -4.579 38.218 1.00 0.00 C ATOM 430 CG2 ILE A 32 -10.959 -4.788 36.988 1.00 0.00 C ATOM 431 CD1 ILE A 32 -12.667 -3.518 39.206 1.00 0.00 C ATOM 0 H ILE A 32 -13.435 -7.298 38.843 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.168 -6.361 36.210 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.500 -5.944 38.718 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.479 -4.093 37.320 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.923 -5.148 38.647 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.565 -3.952 37.566 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.143 -5.457 36.715 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.437 -4.411 36.084 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.513 -2.871 39.438 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.314 -3.994 40.120 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.863 -2.923 38.773 1.00 0.00 H new ATOM 443 N LEU A 33 -10.807 -8.368 37.360 1.00 0.00 N ATOM 444 CA LEU A 33 -9.672 -9.213 36.999 1.00 0.00 C ATOM 445 C LEU A 33 -10.066 -10.195 35.908 1.00 0.00 C ATOM 446 O LEU A 33 -9.367 -10.350 34.908 1.00 0.00 O ATOM 447 CB LEU A 33 -9.188 -10.008 38.214 1.00 0.00 C ATOM 448 CG LEU A 33 -8.465 -9.211 39.301 1.00 0.00 C ATOM 449 CD1 LEU A 33 -8.154 -10.095 40.499 1.00 0.00 C ATOM 450 CD2 LEU A 33 -7.154 -8.647 38.773 1.00 0.00 C ATOM 0 H LEU A 33 -11.111 -8.469 38.329 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.874 -8.563 36.641 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.049 -10.500 38.666 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.519 -10.794 37.864 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.125 -8.397 39.601 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.640 -9.508 41.260 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.083 -10.490 40.911 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.516 -10.921 40.186 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.656 -8.084 39.562 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.510 -9.465 38.449 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.355 -7.988 37.929 1.00 0.00 H new ATOM 462 N ALA A 34 -11.200 -10.858 36.114 1.00 0.00 N ATOM 463 CA ALA A 34 -11.716 -11.837 35.160 1.00 0.00 C ATOM 464 C ALA A 34 -11.948 -11.188 33.805 1.00 0.00 C ATOM 465 O ALA A 34 -11.651 -11.770 32.762 1.00 0.00 O ATOM 466 CB ALA A 34 -13.036 -12.412 35.652 1.00 0.00 C ATOM 0 H ALA A 34 -11.784 -10.734 36.941 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.977 -12.633 35.066 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.407 -13.140 34.930 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.884 -12.901 36.614 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.764 -11.608 35.764 1.00 0.00 H new ATOM 472 N VAL A 35 -12.485 -9.972 33.834 1.00 0.00 N ATOM 473 CA VAL A 35 -12.769 -9.216 32.618 1.00 0.00 C ATOM 474 C VAL A 35 -11.513 -9.067 31.777 1.00 0.00 C ATOM 475 O VAL A 35 -11.540 -9.229 30.558 1.00 0.00 O ATOM 476 CB VAL A 35 -13.292 -7.804 32.941 1.00 0.00 C ATOM 477 CG1 VAL A 35 -13.382 -6.967 31.674 1.00 0.00 C ATOM 478 CG2 VAL A 35 -14.676 -7.879 33.566 1.00 0.00 C ATOM 0 H VAL A 35 -12.734 -9.485 34.695 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.531 -9.772 32.071 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.594 -7.343 33.640 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.753 -5.972 31.921 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.394 -6.884 31.222 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.064 -7.445 30.970 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -15.030 -6.872 33.788 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -15.364 -8.361 32.871 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.628 -8.458 34.488 1.00 0.00 H new ATOM 488 N ALA A 36 -10.407 -8.756 32.447 1.00 0.00 N ATOM 489 CA ALA A 36 -9.118 -8.578 31.785 1.00 0.00 C ATOM 490 C ALA A 36 -8.649 -9.887 31.171 1.00 0.00 C ATOM 491 O ALA A 36 -8.208 -9.929 30.023 1.00 0.00 O ATOM 492 CB ALA A 36 -8.069 -8.111 32.783 1.00 0.00 C ATOM 0 H ALA A 36 -10.378 -8.621 33.458 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.246 -7.829 31.003 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.114 -7.983 32.274 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.378 -7.161 33.218 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.962 -8.854 33.573 1.00 0.00 H new ATOM 498 N GLY A 37 -8.750 -10.958 31.953 1.00 0.00 N ATOM 499 CA GLY A 37 -8.343 -12.288 31.512 1.00 0.00 C ATOM 500 C GLY A 37 -8.946 -12.606 30.153 1.00 0.00 C ATOM 501 O GLY A 37 -8.233 -12.850 29.181 1.00 0.00 O ATOM 0 H GLY A 37 -9.114 -10.929 32.905 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.256 -12.342 31.456 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.662 -13.033 32.241 1.00 0.00 H new ATOM 505 N LEU A 38 -10.275 -12.600 30.099 1.00 0.00 N ATOM 506 CA LEU A 38 -11.008 -12.885 28.868 1.00 0.00 C ATOM 507 C LEU A 38 -10.646 -11.878 27.789 1.00 0.00 C ATOM 508 O LEU A 38 -10.504 -12.225 26.618 1.00 0.00 O ATOM 509 CB LEU A 38 -12.516 -12.811 29.113 1.00 0.00 C ATOM 510 CG LEU A 38 -13.123 -13.936 29.954 1.00 0.00 C ATOM 511 CD1 LEU A 38 -14.596 -13.670 30.225 1.00 0.00 C ATOM 512 CD2 LEU A 38 -13.005 -15.270 29.233 1.00 0.00 C ATOM 0 H LEU A 38 -10.872 -12.399 30.902 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.735 -13.889 28.543 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.737 -11.862 29.601 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.019 -12.797 28.146 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.573 -13.973 30.895 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.008 -14.482 30.824 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.702 -12.730 30.766 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.134 -13.608 29.279 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.443 -16.056 29.848 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.534 -15.217 28.281 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.954 -15.494 29.052 1.00 0.00 H new ATOM 524 N ILE A 39 -10.499 -10.622 28.200 1.00 0.00 N ATOM 525 CA ILE A 39 -10.151 -9.537 27.287 1.00 0.00 C ATOM 526 C ILE A 39 -8.832 -9.827 26.592 1.00 0.00 C ATOM 527 O ILE A 39 -8.694 -9.638 25.384 1.00 0.00 O ATOM 528 CB ILE A 39 -10.008 -8.197 28.032 1.00 0.00 C ATOM 529 CG1 ILE A 39 -11.365 -7.737 28.568 1.00 0.00 C ATOM 530 CG2 ILE A 39 -9.470 -7.123 27.098 1.00 0.00 C ATOM 531 CD1 ILE A 39 -12.403 -7.513 27.490 1.00 0.00 C ATOM 0 H ILE A 39 -10.617 -10.328 29.170 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.959 -9.466 26.559 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.315 -8.348 28.859 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.739 -8.482 29.271 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.230 -6.811 29.127 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.375 -6.183 27.641 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.493 -7.425 26.721 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.156 -6.991 26.261 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.338 -7.189 27.947 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.051 -6.746 26.800 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.569 -8.443 26.946 1.00 0.00 H new ATOM 543 N TYR A 40 -7.861 -10.290 27.374 1.00 0.00 N ATOM 544 CA TYR A 40 -6.534 -10.617 26.859 1.00 0.00 C ATOM 545 C TYR A 40 -6.598 -11.839 25.958 1.00 0.00 C ATOM 546 O TYR A 40 -5.963 -11.887 24.906 1.00 0.00 O ATOM 547 CB TYR A 40 -5.571 -10.915 28.010 1.00 0.00 C ATOM 548 CG TYR A 40 -4.163 -11.239 27.563 1.00 0.00 C ATOM 549 CD1 TYR A 40 -3.292 -10.230 27.172 1.00 0.00 C ATOM 550 CD2 TYR A 40 -3.711 -12.552 27.533 1.00 0.00 C ATOM 551 CE1 TYR A 40 -2.004 -10.517 26.762 1.00 0.00 C ATOM 552 CE2 TYR A 40 -2.426 -12.857 27.126 1.00 0.00 C ATOM 553 CZ TYR A 40 -1.572 -11.825 26.739 1.00 0.00 C ATOM 554 OH TYR A 40 -0.289 -12.112 26.331 1.00 0.00 O ATOM 0 H TYR A 40 -7.970 -10.448 28.376 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.178 -9.757 26.291 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.541 -10.054 28.677 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.960 -11.753 28.588 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.627 -9.203 27.189 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.376 -13.349 27.833 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.340 -9.720 26.461 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.087 -13.882 27.108 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.141 -13.080 26.373 1.00 0.00 H new ATOM 564 N SER A 41 -7.377 -12.829 26.386 1.00 0.00 N ATOM 565 CA SER A 41 -7.546 -14.068 25.635 1.00 0.00 C ATOM 566 C SER A 41 -8.121 -13.783 24.257 1.00 0.00 C ATOM 567 O SER A 41 -7.603 -14.248 23.243 1.00 0.00 O ATOM 568 CB SER A 41 -8.498 -15.014 26.369 1.00 0.00 C ATOM 569 OG SER A 41 -7.941 -15.447 27.598 1.00 0.00 O ATOM 0 H SER A 41 -7.906 -12.795 27.258 1.00 0.00 H new ATOM 0 HA SER A 41 -6.565 -14.532 25.537 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.446 -14.509 26.554 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.714 -15.878 25.740 1.00 0.00 H new ATOM 0 HG SER A 41 -7.971 -14.713 28.247 1.00 0.00 H new ATOM 575 N MET A 42 -9.203 -13.009 24.235 1.00 0.00 N ATOM 576 CA MET A 42 -9.873 -12.642 22.991 1.00 0.00 C ATOM 577 C MET A 42 -8.955 -11.803 22.118 1.00 0.00 C ATOM 578 O MET A 42 -8.895 -11.980 20.902 1.00 0.00 O ATOM 579 CB MET A 42 -11.137 -11.830 23.282 1.00 0.00 C ATOM 580 CG MET A 42 -11.946 -11.476 22.045 1.00 0.00 C ATOM 581 SD MET A 42 -13.442 -10.548 22.434 1.00 0.00 S ATOM 582 CE MET A 42 -12.744 -8.974 22.931 1.00 0.00 C ATOM 0 H MET A 42 -9.637 -12.621 25.072 1.00 0.00 H new ATOM 0 HA MET A 42 -10.136 -13.564 22.472 1.00 0.00 H new ATOM 0 HB2 MET A 42 -11.769 -12.395 23.967 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.855 -10.910 23.794 1.00 0.00 H new ATOM 0 HG2 MET A 42 -11.326 -10.890 21.366 1.00 0.00 H new ATOM 0 HG3 MET A 42 -12.218 -12.391 21.519 1.00 0.00 H new ATOM 0 HE1 MET A 42 -13.531 -8.221 22.963 1.00 0.00 H new ATOM 0 HE2 MET A 42 -12.295 -9.071 23.919 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.981 -8.672 22.214 1.00 0.00 H new ATOM 592 N LEU A 43 -8.237 -10.883 22.757 1.00 0.00 N ATOM 593 CA LEU A 43 -7.308 -9.997 22.063 1.00 0.00 C ATOM 594 C LEU A 43 -6.047 -10.749 21.672 1.00 0.00 C ATOM 595 O LEU A 43 -5.506 -10.562 20.583 1.00 0.00 O ATOM 596 CB LEU A 43 -6.912 -8.824 22.963 1.00 0.00 C ATOM 597 CG LEU A 43 -8.001 -7.785 23.240 1.00 0.00 C ATOM 598 CD1 LEU A 43 -7.514 -6.751 24.244 1.00 0.00 C ATOM 599 CD2 LEU A 43 -8.389 -7.060 21.961 1.00 0.00 C ATOM 0 H LEU A 43 -8.282 -10.731 23.765 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.809 -9.625 21.169 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.571 -9.225 23.917 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.062 -8.316 22.508 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.864 -8.316 23.642 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.303 -6.022 24.427 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.254 -7.246 25.179 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.636 -6.243 23.846 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.164 -6.326 22.180 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.515 -6.554 21.550 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.766 -7.780 21.235 1.00 0.00 H new ATOM 611 N ARG A 44 -5.583 -11.605 22.578 1.00 0.00 N ATOM 612 CA ARG A 44 -4.382 -12.403 22.355 1.00 0.00 C ATOM 613 C ARG A 44 -4.709 -13.640 21.534 1.00 0.00 C ATOM 614 O ARG A 44 -3.897 -14.109 20.738 1.00 0.00 O ATOM 615 CB ARG A 44 -3.782 -12.853 23.689 1.00 0.00 C ATOM 616 CG ARG A 44 -2.474 -13.615 23.555 1.00 0.00 C ATOM 617 CD ARG A 44 -1.364 -12.719 23.030 1.00 0.00 C ATOM 618 NE ARG A 44 -0.095 -13.433 22.912 1.00 0.00 N ATOM 619 CZ ARG A 44 0.990 -12.936 22.326 1.00 0.00 C ATOM 620 NH1 ARG A 44 0.962 -11.718 21.803 1.00 0.00 N ATOM 621 NH2 ARG A 44 2.100 -13.658 22.265 1.00 0.00 N ATOM 0 H ARG A 44 -6.026 -11.764 23.483 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.666 -11.781 21.818 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.617 -11.976 24.315 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.506 -13.483 24.207 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.187 -14.023 24.524 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.611 -14.461 22.881 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.649 -12.322 22.056 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.240 -11.866 23.698 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.038 -14.373 23.304 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.108 -11.162 21.850 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.794 -11.337 21.353 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.122 -14.595 22.668 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.932 -13.277 21.815 1.00 0.00 H new ATOM 635 N LYS A 45 -5.915 -14.163 21.740 1.00 0.00 N ATOM 636 CA LYS A 45 -6.381 -15.351 21.030 1.00 0.00 C ATOM 637 C LYS A 45 -6.711 -15.013 19.586 1.00 0.00 C ATOM 638 O LYS A 45 -6.320 -15.723 18.661 1.00 0.00 O ATOM 639 CB LYS A 45 -7.639 -15.913 21.695 1.00 0.00 C ATOM 640 CG LYS A 45 -8.165 -17.186 21.051 1.00 0.00 C ATOM 641 CD LYS A 45 -9.380 -17.719 21.793 1.00 0.00 C ATOM 642 CE LYS A 45 -9.915 -18.983 21.141 1.00 0.00 C ATOM 643 NZ LYS A 45 -11.099 -19.523 21.865 1.00 0.00 N ATOM 0 H LYS A 45 -6.592 -13.779 22.399 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.582 -16.092 21.063 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.424 -16.112 22.745 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.421 -15.155 21.668 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.429 -16.988 20.012 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.381 -17.943 21.042 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.114 -17.927 22.829 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.160 -16.958 21.811 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.187 -18.771 20.107 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.130 -19.738 21.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.434 -20.385 21.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.833 -19.750 22.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.858 -18.812 21.868 1.00 0.00 H new ATOM 657 N ALA A 46 -7.439 -13.914 19.405 1.00 0.00 N ATOM 658 CA ALA A 46 -7.840 -13.453 18.079 1.00 0.00 C ATOM 659 C ALA A 46 -8.658 -12.175 18.203 1.00 0.00 C ATOM 660 O ALA A 46 -8.890 -11.687 19.307 1.00 0.00 O ATOM 661 CB ALA A 46 -8.647 -14.546 17.383 1.00 0.00 C ATOM 0 H ALA A 46 -7.766 -13.321 20.168 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.954 -13.238 17.481 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.947 -14.202 16.393 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.036 -15.444 17.286 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.535 -14.774 17.972 1.00 0.00 H new