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= -1.99 K(o=-3.3,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -174:sc= -1.31 (180deg=-0.333) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.185 (180deg=-0.688) USER MOD Single : A 5 THR OG1 : rot -8:sc= 0.314 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 111:sc= 1.01 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=-0.00496 (180deg=-0.249) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.563 -45.448 79.972 1.00 0.00 N ATOM 2 CA GLY A 1 -18.917 -45.962 80.015 1.00 0.00 C ATOM 3 C GLY A 1 -19.737 -45.361 78.885 1.00 0.00 C ATOM 4 O GLY A 1 -19.236 -44.562 78.097 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.890 -46.238 80.036 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.414 -44.937 79.078 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.412 -44.799 80.771 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.905 -47.049 79.929 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.375 -45.723 80.975 1.00 0.00 H new ATOM 8 N VAL A 2 -21.005 -45.759 78.820 1.00 0.00 N ATOM 9 CA VAL A 2 -21.923 -45.274 77.794 1.00 0.00 C ATOM 10 C VAL A 2 -22.255 -43.809 78.025 1.00 0.00 C ATOM 11 O VAL A 2 -22.272 -43.006 77.093 1.00 0.00 O ATOM 12 CB VAL A 2 -23.244 -46.065 77.799 1.00 0.00 C ATOM 13 CG1 VAL A 2 -24.252 -45.426 76.856 1.00 0.00 C ATOM 14 CG2 VAL A 2 -23.009 -47.499 77.351 1.00 0.00 C ATOM 0 H VAL A 2 -21.423 -46.422 79.473 1.00 0.00 H new ATOM 0 HA VAL A 2 -21.423 -45.406 76.835 1.00 0.00 H new ATOM 0 HB VAL A 2 -23.632 -46.055 78.817 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -25.179 -45.998 76.873 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -24.451 -44.403 77.175 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -23.849 -45.418 75.843 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -23.954 -48.043 77.361 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -22.599 -47.502 76.341 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -22.306 -47.982 78.030 1.00 0.00 H new ATOM 24 N ILE A 3 -22.518 -43.471 79.284 1.00 0.00 N ATOM 25 CA ILE A 3 -22.853 -42.104 79.671 1.00 0.00 C ATOM 26 C ILE A 3 -21.662 -41.184 79.463 1.00 0.00 C ATOM 27 O ILE A 3 -21.806 -40.046 79.019 1.00 0.00 O ATOM 28 CB ILE A 3 -23.261 -42.021 81.154 1.00 0.00 C ATOM 29 CG1 ILE A 3 -24.579 -42.762 81.386 1.00 0.00 C ATOM 30 CG2 ILE A 3 -23.443 -40.571 81.576 1.00 0.00 C ATOM 31 CD1 ILE A 3 -24.929 -42.943 82.847 1.00 0.00 C ATOM 0 H ILE A 3 -22.505 -44.132 80.060 1.00 0.00 H new ATOM 0 HA ILE A 3 -23.689 -41.794 79.044 1.00 0.00 H new ATOM 0 HB ILE A 3 -22.468 -42.480 81.745 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -25.384 -42.215 80.894 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -24.523 -43.742 80.911 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -23.731 -40.531 82.626 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -22.507 -40.031 81.436 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -24.222 -40.110 80.968 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -25.876 -43.476 82.931 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -24.145 -43.517 83.341 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -25.019 -41.967 83.323 1.00 0.00 H new ATOM 43 N ASP A 4 -20.478 -41.694 79.791 1.00 0.00 N ATOM 44 CA ASP A 4 -19.237 -40.938 79.651 1.00 0.00 C ATOM 45 C ASP A 4 -19.116 -40.370 78.246 1.00 0.00 C ATOM 46 O ASP A 4 -18.689 -39.232 78.055 1.00 0.00 O ATOM 47 CB ASP A 4 -18.028 -41.838 79.915 1.00 0.00 C ATOM 48 CG ASP A 4 -17.888 -42.212 81.377 1.00 0.00 C ATOM 49 OD1 ASP A 4 -16.859 -42.820 81.739 1.00 0.00 O ATOM 50 OD2 ASP A 4 -18.807 -41.896 82.162 1.00 0.00 O ATOM 0 H ASP A 4 -20.352 -42.637 80.159 1.00 0.00 H new ATOM 0 HA ASP A 4 -19.259 -40.126 80.378 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -18.118 -42.746 79.319 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -17.122 -41.329 79.586 1.00 0.00 H new ATOM 56 N THR A 5 -19.499 -41.180 77.263 1.00 0.00 N ATOM 57 CA THR A 5 -19.444 -40.784 75.859 1.00 0.00 C ATOM 58 C THR A 5 -20.788 -40.236 75.408 1.00 0.00 C ATOM 59 O THR A 5 -20.955 -39.822 74.262 1.00 0.00 O ATOM 60 CB THR A 5 -19.089 -41.975 74.950 1.00 0.00 C ATOM 61 OG1 THR A 5 -20.099 -42.986 75.065 1.00 0.00 O ATOM 62 CG2 THR A 5 -17.748 -42.571 75.352 1.00 0.00 C ATOM 0 H THR A 5 -19.854 -42.124 77.416 1.00 0.00 H new ATOM 0 HA THR A 5 -18.672 -40.020 75.776 1.00 0.00 H new ATOM 0 HB THR A 5 -19.030 -41.619 73.921 1.00 0.00 H new ATOM 0 HG1 THR A 5 -20.716 -42.751 75.790 1.00 0.00 H new ATOM 0 HG21 THR A 5 -17.513 -43.412 74.699 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.971 -41.812 75.261 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.798 -42.917 76.385 1.00 0.00 H new ATOM 70 N SER A 6 -21.748 -40.238 76.329 1.00 0.00 N ATOM 71 CA SER A 6 -23.094 -39.745 76.053 1.00 0.00 C ATOM 72 C SER A 6 -23.036 -38.382 75.381 1.00 0.00 C ATOM 73 O SER A 6 -23.518 -38.202 74.264 1.00 0.00 O ATOM 74 CB SER A 6 -23.892 -39.610 77.352 1.00 0.00 C ATOM 75 OG SER A 6 -25.198 -39.123 77.099 1.00 0.00 O ATOM 0 H SER A 6 -21.616 -40.579 77.281 1.00 0.00 H new ATOM 0 HA SER A 6 -23.581 -40.462 75.392 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.951 -40.579 77.848 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.374 -38.934 78.032 1.00 0.00 H new ATOM 0 HG SER A 6 -25.688 -39.047 77.944 1.00 0.00 H new ATOM 81 N ALA A 7 -22.436 -37.423 76.080 1.00 0.00 N ATOM 82 CA ALA A 7 -22.297 -36.060 75.574 1.00 0.00 C ATOM 83 C ALA A 7 -21.504 -36.051 74.277 1.00 0.00 C ATOM 84 O ALA A 7 -21.838 -35.339 73.331 1.00 0.00 O ATOM 85 CB ALA A 7 -21.571 -35.189 76.588 1.00 0.00 C ATOM 0 H ALA A 7 -22.035 -37.566 77.007 1.00 0.00 H new ATOM 0 HA ALA A 7 -23.298 -35.667 75.397 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -21.476 -34.177 76.196 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -22.137 -35.166 77.519 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -20.579 -35.600 76.777 1.00 0.00 H new ATOM 91 N VAL A 8 -20.445 -36.855 74.246 1.00 0.00 N ATOM 92 CA VAL A 8 -19.581 -36.962 73.074 1.00 0.00 C ATOM 93 C VAL A 8 -20.358 -37.508 71.888 1.00 0.00 C ATOM 94 O VAL A 8 -20.209 -37.040 70.760 1.00 0.00 O ATOM 95 CB VAL A 8 -18.391 -37.904 73.334 1.00 0.00 C ATOM 96 CG1 VAL A 8 -17.626 -38.164 72.046 1.00 0.00 C ATOM 97 CG2 VAL A 8 -17.435 -37.288 74.345 1.00 0.00 C ATOM 0 H VAL A 8 -20.163 -37.447 75.027 1.00 0.00 H new ATOM 0 HA VAL A 8 -19.212 -35.959 72.861 1.00 0.00 H new ATOM 0 HB VAL A 8 -18.788 -38.841 73.724 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -16.789 -38.832 72.249 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -18.290 -38.626 71.315 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -17.250 -37.221 71.649 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.600 -37.967 74.517 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.059 -36.340 73.959 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.961 -37.114 75.284 1.00 0.00 H new ATOM 107 N GLU A 9 -21.192 -38.508 72.158 1.00 0.00 N ATOM 108 CA GLU A 9 -22.011 -39.141 71.128 1.00 0.00 C ATOM 109 C GLU A 9 -22.883 -38.109 70.431 1.00 0.00 C ATOM 110 O GLU A 9 -23.080 -38.158 69.218 1.00 0.00 O ATOM 111 CB GLU A 9 -22.921 -40.204 71.746 1.00 0.00 C ATOM 112 CG GLU A 9 -23.762 -40.965 70.734 1.00 0.00 C ATOM 113 CD GLU A 9 -24.612 -42.044 71.376 1.00 0.00 C ATOM 114 OE1 GLU A 9 -24.545 -42.194 72.614 1.00 0.00 O ATOM 115 OE2 GLU A 9 -25.346 -42.738 70.641 1.00 0.00 O ATOM 0 H GLU A 9 -21.319 -38.901 73.091 1.00 0.00 H new ATOM 0 HA GLU A 9 -21.338 -39.604 70.407 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -22.308 -40.914 72.300 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -23.584 -39.725 72.467 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -24.409 -40.265 70.205 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -23.107 -41.418 69.990 1.00 0.00 H new ATOM 123 N SER A 10 -23.403 -37.172 71.217 1.00 0.00 N ATOM 124 CA SER A 10 -24.261 -36.109 70.701 1.00 0.00 C ATOM 125 C SER A 10 -23.424 -34.992 70.100 1.00 0.00 C ATOM 126 O SER A 10 -23.684 -34.529 68.991 1.00 0.00 O ATOM 127 CB SER A 10 -25.118 -35.520 71.823 1.00 0.00 C ATOM 128 OG SER A 10 -26.007 -36.490 72.349 1.00 0.00 O ATOM 0 H SER A 10 -23.244 -37.127 72.223 1.00 0.00 H new ATOM 0 HA SER A 10 -24.902 -36.544 69.934 1.00 0.00 H new ATOM 0 HB2 SER A 10 -24.474 -35.144 72.618 1.00 0.00 H new ATOM 0 HB3 SER A 10 -25.685 -34.670 71.444 1.00 0.00 H new ATOM 0 HG SER A 10 -26.542 -36.089 73.065 1.00 0.00 H new ATOM 134 N ALA A 11 -22.411 -34.566 70.851 1.00 0.00 N ATOM 135 CA ALA A 11 -21.514 -33.500 70.416 1.00 0.00 C ATOM 136 C ALA A 11 -20.691 -33.950 69.220 1.00 0.00 C ATOM 137 O ALA A 11 -20.447 -33.182 68.291 1.00 0.00 O ATOM 138 CB ALA A 11 -20.562 -33.117 71.539 1.00 0.00 C ATOM 0 H ALA A 11 -22.190 -34.947 71.771 1.00 0.00 H new ATOM 0 HA ALA A 11 -22.126 -32.642 70.140 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.900 -32.321 71.199 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -21.135 -32.770 72.399 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.969 -33.985 71.825 1.00 0.00 H new ATOM 144 N ILE A 12 -20.267 -35.210 69.256 1.00 0.00 N ATOM 145 CA ILE A 12 -19.467 -35.795 68.185 1.00 0.00 C ATOM 146 C ILE A 12 -20.288 -35.915 66.912 1.00 0.00 C ATOM 147 O ILE A 12 -19.831 -35.568 65.824 1.00 0.00 O ATOM 148 CB ILE A 12 -18.966 -37.202 68.559 1.00 0.00 C ATOM 149 CG1 ILE A 12 -17.966 -37.122 69.715 1.00 0.00 C ATOM 150 CG2 ILE A 12 -18.277 -37.856 67.371 1.00 0.00 C ATOM 151 CD1 ILE A 12 -16.733 -36.305 69.400 1.00 0.00 C ATOM 0 H ILE A 12 -20.467 -35.851 70.024 1.00 0.00 H new ATOM 0 HA ILE A 12 -18.615 -35.134 68.030 1.00 0.00 H new ATOM 0 HB ILE A 12 -19.830 -37.796 68.856 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -18.463 -36.692 70.584 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -17.661 -38.132 69.990 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -17.929 -38.850 67.654 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -18.981 -37.940 66.543 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -17.426 -37.248 67.064 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -16.072 -36.295 70.267 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -16.211 -36.747 68.551 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -17.026 -35.284 69.155 1.00 0.00 H new ATOM 163 N THR A 13 -21.512 -36.414 67.063 1.00 0.00 N ATOM 164 CA THR A 13 -22.426 -36.593 65.938 1.00 0.00 C ATOM 165 C THR A 13 -22.795 -35.249 65.332 1.00 0.00 C ATOM 166 O THR A 13 -22.847 -35.093 64.113 1.00 0.00 O ATOM 167 CB THR A 13 -23.729 -37.289 66.374 1.00 0.00 C ATOM 168 OG1 THR A 13 -23.429 -38.595 66.881 1.00 0.00 O ATOM 169 CG2 THR A 13 -24.681 -37.424 65.196 1.00 0.00 C ATOM 0 H THR A 13 -21.897 -36.704 67.962 1.00 0.00 H new ATOM 0 HA THR A 13 -21.909 -37.213 65.206 1.00 0.00 H new ATOM 0 HB THR A 13 -24.202 -36.685 67.149 1.00 0.00 H new ATOM 0 HG1 THR A 13 -23.591 -38.616 67.847 1.00 0.00 H new ATOM 0 HG21 THR A 13 -25.596 -37.918 65.523 1.00 0.00 H new ATOM 0 HG22 THR A 13 -24.922 -36.434 64.807 1.00 0.00 H new ATOM 0 HG23 THR A 13 -24.209 -38.017 64.413 1.00 0.00 H new ATOM 177 N ASP A 14 -23.051 -34.276 66.203 1.00 0.00 N ATOM 178 CA ASP A 14 -23.420 -32.928 65.781 1.00 0.00 C ATOM 179 C ASP A 14 -22.240 -32.237 65.120 1.00 0.00 C ATOM 180 O ASP A 14 -22.357 -31.683 64.028 1.00 0.00 O ATOM 181 CB ASP A 14 -23.859 -32.091 66.984 1.00 0.00 C ATOM 182 CG ASP A 14 -25.204 -32.523 67.535 1.00 0.00 C ATOM 183 OD1 ASP A 14 -25.730 -31.829 68.430 1.00 0.00 O ATOM 184 OD2 ASP A 14 -25.731 -33.556 67.072 1.00 0.00 O ATOM 0 H ASP A 14 -23.009 -34.399 67.215 1.00 0.00 H new ATOM 0 HA ASP A 14 -24.243 -33.015 65.072 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.107 -32.168 67.769 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -23.910 -31.042 66.693 1.00 0.00 H new ATOM 190 N GLY A 15 -21.097 -32.276 65.798 1.00 0.00 N ATOM 191 CA GLY A 15 -19.871 -31.659 65.298 1.00 0.00 C ATOM 192 C GLY A 15 -19.166 -32.588 64.323 1.00 0.00 C ATOM 193 O GLY A 15 -19.085 -32.312 63.127 1.00 0.00 O ATOM 0 H GLY A 15 -20.993 -32.733 66.704 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.107 -30.716 64.805 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.208 -31.426 66.131 1.00 0.00 H new ATOM 197 N GLN A 16 -18.655 -33.696 64.852 1.00 0.00 N ATOM 198 CA GLN A 16 -17.948 -34.689 64.050 1.00 0.00 C ATOM 199 C GLN A 16 -18.754 -35.043 62.810 1.00 0.00 C ATOM 200 O GLN A 16 -18.263 -34.955 61.686 1.00 0.00 O ATOM 201 CB GLN A 16 -17.719 -35.967 64.859 1.00 0.00 C ATOM 202 CG GLN A 16 -16.948 -37.044 64.114 1.00 0.00 C ATOM 203 CD GLN A 16 -15.529 -36.624 63.786 1.00 0.00 C ATOM 204 OE1 GLN A 16 -14.764 -36.241 64.672 1.00 0.00 O ATOM 205 NE2 GLN A 16 -15.173 -36.694 62.509 1.00 0.00 N ATOM 0 H GLN A 16 -18.719 -33.930 65.843 1.00 0.00 H new ATOM 0 HA GLN A 16 -16.990 -34.259 63.758 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -17.179 -35.714 65.772 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -18.685 -36.371 65.162 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -16.924 -37.952 64.717 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.473 -37.289 63.191 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.842 -37.018 61.810 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.231 -36.424 62.227 1.00 0.00 H new ATOM 214 N GLY A 17 -20.002 -35.447 63.032 1.00 0.00 N ATOM 215 CA GLY A 17 -20.904 -35.823 61.947 1.00 0.00 C ATOM 216 C GLY A 17 -20.941 -34.736 60.885 1.00 0.00 C ATOM 217 O GLY A 17 -20.835 -35.010 59.691 1.00 0.00 O ATOM 0 H GLY A 17 -20.414 -35.523 63.962 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -20.576 -36.763 61.503 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -21.907 -35.989 62.341 1.00 0.00 H new ATOM 221 N ASP A 18 -21.095 -33.495 61.338 1.00 0.00 N ATOM 222 CA ASP A 18 -21.151 -32.340 60.446 1.00 0.00 C ATOM 223 C ASP A 18 -19.911 -32.287 59.567 1.00 0.00 C ATOM 224 O ASP A 18 -19.867 -31.563 58.574 1.00 0.00 O ATOM 225 CB ASP A 18 -21.228 -31.043 61.253 1.00 0.00 C ATOM 226 CG ASP A 18 -22.564 -30.867 61.947 1.00 0.00 C ATOM 227 OD1 ASP A 18 -23.059 -29.721 62.003 1.00 0.00 O ATOM 228 OD2 ASP A 18 -23.117 -31.875 62.436 1.00 0.00 O ATOM 0 H ASP A 18 -21.184 -33.262 62.327 1.00 0.00 H new ATOM 0 HA ASP A 18 -22.041 -32.442 59.825 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -20.432 -31.035 61.998 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -21.053 -30.196 60.590 1.00 0.00 H new ATOM 234 N MET A 19 -18.903 -33.067 59.946 1.00 0.00 N ATOM 235 CA MET A 19 -17.645 -33.130 59.209 1.00 0.00 C ATOM 236 C MET A 19 -17.870 -33.701 57.819 1.00 0.00 C ATOM 237 O MET A 19 -17.323 -33.211 56.833 1.00 0.00 O ATOM 238 CB MET A 19 -16.639 -34.021 59.941 1.00 0.00 C ATOM 239 CG MET A 19 -15.269 -34.078 59.286 1.00 0.00 C ATOM 240 SD MET A 19 -14.110 -35.126 60.186 1.00 0.00 S ATOM 241 CE MET A 19 -13.849 -34.150 61.665 1.00 0.00 C ATOM 0 H MET A 19 -18.934 -33.670 60.768 1.00 0.00 H new ATOM 0 HA MET A 19 -17.254 -32.115 59.133 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.526 -33.660 60.963 1.00 0.00 H new ATOM 0 HB3 MET A 19 -17.043 -35.032 60.003 1.00 0.00 H new ATOM 0 HG2 MET A 19 -15.373 -34.451 58.267 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.862 -33.069 59.217 1.00 0.00 H new ATOM 0 HE1 MET A 19 -13.073 -34.614 62.275 1.00 0.00 H new ATOM 0 HE2 MET A 19 -13.538 -33.143 61.386 1.00 0.00 H new ATOM 0 HE3 MET A 19 -14.776 -34.098 62.235 1.00 0.00 H new ATOM 251 N LYS A 20 -18.686 -34.750 57.754 1.00 0.00 N ATOM 252 CA LYS A 20 -19.005 -35.413 56.493 1.00 0.00 C ATOM 253 C LYS A 20 -19.612 -34.424 55.510 1.00 0.00 C ATOM 254 O LYS A 20 -19.291 -34.429 54.323 1.00 0.00 O ATOM 255 CB LYS A 20 -20.008 -36.545 56.722 1.00 0.00 C ATOM 256 CG LYS A 20 -20.351 -37.333 55.468 1.00 0.00 C ATOM 257 CD LYS A 20 -21.307 -38.474 55.777 1.00 0.00 C ATOM 258 CE LYS A 20 -21.662 -39.253 54.521 1.00 0.00 C ATOM 259 NZ LYS A 20 -22.588 -40.382 54.811 1.00 0.00 N ATOM 0 H LYS A 20 -19.142 -35.162 58.568 1.00 0.00 H new ATOM 0 HA LYS A 20 -18.078 -35.817 56.086 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -19.604 -37.229 57.469 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -20.925 -36.126 57.137 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -20.801 -36.669 54.730 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.438 -37.731 55.025 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.853 -39.144 56.507 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -22.215 -38.077 56.230 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -22.123 -38.582 53.796 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.751 -39.639 54.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.806 -40.888 53.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.138 -41.036 55.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -23.468 -40.012 55.224 1.00 0.00 H new ATOM 273 N ALA A 21 -20.496 -33.573 56.023 1.00 0.00 N ATOM 274 CA ALA A 21 -21.168 -32.563 55.211 1.00 0.00 C ATOM 275 C ALA A 21 -20.179 -31.504 54.753 1.00 0.00 C ATOM 276 O ALA A 21 -20.208 -31.059 53.607 1.00 0.00 O ATOM 277 CB ALA A 21 -22.266 -31.882 56.014 1.00 0.00 C ATOM 0 H ALA A 21 -20.766 -33.563 57.007 1.00 0.00 H new ATOM 0 HA ALA A 21 -21.599 -33.064 54.344 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -22.758 -31.132 55.395 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -22.997 -32.625 56.333 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.831 -31.401 56.890 1.00 0.00 H new ATOM 283 N ILE A 22 -19.298 -31.106 55.668 1.00 0.00 N ATOM 284 CA ILE A 22 -18.283 -30.095 55.385 1.00 0.00 C ATOM 285 C ILE A 22 -17.317 -30.594 54.323 1.00 0.00 C ATOM 286 O ILE A 22 -17.032 -29.903 53.347 1.00 0.00 O ATOM 287 CB ILE A 22 -17.466 -29.748 56.643 1.00 0.00 C ATOM 288 CG1 ILE A 22 -18.347 -29.037 57.672 1.00 0.00 C ATOM 289 CG2 ILE A 22 -16.304 -28.832 56.288 1.00 0.00 C ATOM 290 CD1 ILE A 22 -17.696 -28.880 59.029 1.00 0.00 C ATOM 0 H ILE A 22 -19.267 -31.472 56.620 1.00 0.00 H new ATOM 0 HA ILE A 22 -18.809 -29.207 55.036 1.00 0.00 H new ATOM 0 HB ILE A 22 -17.086 -30.680 57.062 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -18.612 -28.051 57.290 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -19.277 -29.594 57.788 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.737 -28.597 57.189 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.653 -29.331 55.570 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.688 -27.911 55.850 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.381 -28.367 59.704 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -17.456 -29.863 59.433 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -16.781 -28.296 58.928 1.00 0.00 H new ATOM 302 N GLY A 23 -16.816 -31.809 54.527 1.00 0.00 N ATOM 303 CA GLY A 23 -15.875 -32.431 53.599 1.00 0.00 C ATOM 304 C GLY A 23 -16.552 -32.718 52.268 1.00 0.00 C ATOM 305 O GLY A 23 -15.992 -32.465 51.202 1.00 0.00 O ATOM 0 H GLY A 23 -17.048 -32.387 55.334 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.019 -31.774 53.444 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.492 -33.358 54.026 1.00 0.00 H new ATOM 309 N GLY A 24 -17.767 -33.252 52.345 1.00 0.00 N ATOM 310 CA GLY A 24 -18.548 -33.587 51.158 1.00 0.00 C ATOM 311 C GLY A 24 -18.962 -32.324 50.419 1.00 0.00 C ATOM 312 O GLY A 24 -18.705 -32.172 49.226 1.00 0.00 O ATOM 0 H GLY A 24 -18.236 -33.464 53.226 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.961 -34.226 50.498 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -19.433 -34.154 51.446 1.00 0.00 H new ATOM 316 N TYR A 25 -19.607 -31.417 51.147 1.00 0.00 N ATOM 317 CA TYR A 25 -20.071 -30.153 50.585 1.00 0.00 C ATOM 318 C TYR A 25 -18.915 -29.394 49.956 1.00 0.00 C ATOM 319 O TYR A 25 -19.055 -28.783 48.897 1.00 0.00 O ATOM 320 CB TYR A 25 -20.688 -29.276 51.676 1.00 0.00 C ATOM 321 CG TYR A 25 -21.183 -27.937 51.179 1.00 0.00 C ATOM 322 CD1 TYR A 25 -22.388 -27.833 50.494 1.00 0.00 C ATOM 323 CD2 TYR A 25 -20.445 -26.781 51.395 1.00 0.00 C ATOM 324 CE1 TYR A 25 -22.848 -26.613 50.036 1.00 0.00 C ATOM 325 CE2 TYR A 25 -20.889 -25.552 50.943 1.00 0.00 C ATOM 326 CZ TYR A 25 -22.102 -25.477 50.259 1.00 0.00 C ATOM 327 OH TYR A 25 -22.558 -24.261 49.804 1.00 0.00 O ATOM 0 H TYR A 25 -19.822 -31.536 52.137 1.00 0.00 H new ATOM 0 HA TYR A 25 -20.820 -30.382 49.827 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -21.519 -29.813 52.133 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.947 -29.111 52.458 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -22.975 -28.722 50.316 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -19.507 -26.843 51.926 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -23.787 -26.551 49.506 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -20.304 -24.661 51.117 1.00 0.00 H new ATOM 0 HH TYR A 25 -21.916 -23.560 50.044 1.00 0.00 H new ATOM 337 N ILE A 26 -17.766 -29.440 50.624 1.00 0.00 N ATOM 338 CA ILE A 26 -16.561 -28.763 50.152 1.00 0.00 C ATOM 339 C ILE A 26 -15.951 -29.518 48.982 1.00 0.00 C ATOM 340 O ILE A 26 -15.564 -28.926 47.976 1.00 0.00 O ATOM 341 CB ILE A 26 -15.497 -28.667 51.261 1.00 0.00 C ATOM 342 CG1 ILE A 26 -15.977 -27.745 52.383 1.00 0.00 C ATOM 343 CG2 ILE A 26 -14.196 -28.110 50.703 1.00 0.00 C ATOM 344 CD1 ILE A 26 -15.108 -27.786 53.621 1.00 0.00 C ATOM 0 H ILE A 26 -17.643 -29.944 51.502 1.00 0.00 H new ATOM 0 HA ILE A 26 -16.859 -27.760 49.846 1.00 0.00 H new ATOM 0 HB ILE A 26 -15.331 -29.671 51.652 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.013 -26.722 52.009 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.996 -28.020 52.656 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.455 -28.049 51.500 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.828 -28.766 49.915 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -14.372 -27.115 50.294 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -15.512 -27.107 54.372 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -15.092 -28.800 54.021 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -14.094 -27.481 53.364 1.00 0.00 H new ATOM 356 N VAL A 27 -15.871 -30.837 49.128 1.00 0.00 N ATOM 357 CA VAL A 27 -15.310 -31.704 48.095 1.00 0.00 C ATOM 358 C VAL A 27 -16.290 -31.863 46.944 1.00 0.00 C ATOM 359 O VAL A 27 -15.896 -32.037 45.792 1.00 0.00 O ATOM 360 CB VAL A 27 -14.995 -33.107 48.646 1.00 0.00 C ATOM 361 CG1 VAL A 27 -14.585 -34.042 47.518 1.00 0.00 C ATOM 362 CG2 VAL A 27 -13.857 -33.041 49.653 1.00 0.00 C ATOM 0 H VAL A 27 -16.191 -31.333 49.960 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.389 -31.232 47.751 1.00 0.00 H new ATOM 0 HB VAL A 27 -15.896 -33.484 49.130 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.366 -35.029 47.925 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.398 -34.119 46.796 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.697 -33.648 47.024 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.648 -34.041 50.032 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.965 -32.643 49.169 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.141 -32.391 50.481 1.00 0.00 H new ATOM 372 N GLY A 28 -17.577 -31.801 47.272 1.00 0.00 N ATOM 373 CA GLY A 28 -18.642 -31.936 46.283 1.00 0.00 C ATOM 374 C GLY A 28 -18.763 -30.666 45.455 1.00 0.00 C ATOM 375 O GLY A 28 -19.257 -30.686 44.329 1.00 0.00 O ATOM 0 H GLY A 28 -17.910 -31.657 48.225 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -18.435 -32.784 45.631 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -19.588 -32.142 46.784 1.00 0.00 H new ATOM 379 N ALA A 29 -18.304 -29.559 46.031 1.00 0.00 N ATOM 380 CA ALA A 29 -18.349 -28.259 45.369 1.00 0.00 C ATOM 381 C ALA A 29 -17.139 -28.080 44.464 1.00 0.00 C ATOM 382 O ALA A 29 -17.217 -27.440 43.417 1.00 0.00 O ATOM 383 CB ALA A 29 -18.351 -27.139 46.399 1.00 0.00 C ATOM 0 H ALA A 29 -17.893 -29.537 46.964 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.262 -28.218 44.776 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -18.385 -26.176 45.889 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -19.224 -27.239 47.044 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -17.445 -27.198 47.003 1.00 0.00 H new ATOM 389 N LEU A 30 -16.018 -28.658 44.885 1.00 0.00 N ATOM 390 CA LEU A 30 -14.770 -28.580 44.130 1.00 0.00 C ATOM 391 C LEU A 30 -14.973 -29.088 42.712 1.00 0.00 C ATOM 392 O LEU A 30 -14.317 -28.637 41.775 1.00 0.00 O ATOM 393 CB LEU A 30 -13.686 -29.429 44.797 1.00 0.00 C ATOM 394 CG LEU A 30 -13.144 -28.910 46.130 1.00 0.00 C ATOM 395 CD1 LEU A 30 -12.172 -29.909 46.741 1.00 0.00 C ATOM 396 CD2 LEU A 30 -12.410 -27.592 45.936 1.00 0.00 C ATOM 0 H LEU A 30 -15.948 -29.190 45.752 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.460 -27.535 44.108 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.086 -30.430 44.957 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.851 -29.526 44.103 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.996 -28.766 46.794 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.798 -29.520 47.688 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.684 -30.856 46.914 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.337 -30.067 46.059 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.033 -27.241 46.896 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.576 -27.738 45.250 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.095 -26.852 45.522 1.00 0.00 H new ATOM 408 N VAL A 31 -15.894 -30.036 42.567 1.00 0.00 N ATOM 409 CA VAL A 31 -16.209 -30.628 41.269 1.00 0.00 C ATOM 410 C VAL A 31 -16.577 -29.546 40.267 1.00 0.00 C ATOM 411 O VAL A 31 -16.268 -29.646 39.081 1.00 0.00 O ATOM 412 CB VAL A 31 -17.395 -31.606 41.367 1.00 0.00 C ATOM 413 CG1 VAL A 31 -17.850 -32.032 39.980 1.00 0.00 C ATOM 414 CG2 VAL A 31 -16.995 -32.850 42.146 1.00 0.00 C ATOM 0 H VAL A 31 -16.441 -30.414 43.340 1.00 0.00 H new ATOM 0 HA VAL A 31 -15.320 -31.166 40.942 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.208 -31.093 41.881 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.689 -32.723 40.068 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -18.161 -31.154 39.414 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.027 -32.525 39.462 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.844 -33.531 42.206 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.167 -33.346 41.639 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.686 -32.566 43.152 1.00 0.00 H new ATOM 424 N ILE A 32 -17.245 -28.508 40.761 1.00 0.00 N ATOM 425 CA ILE A 32 -17.672 -27.387 39.928 1.00 0.00 C ATOM 426 C ILE A 32 -16.466 -26.634 39.390 1.00 0.00 C ATOM 427 O ILE A 32 -16.426 -26.247 38.223 1.00 0.00 O ATOM 428 CB ILE A 32 -18.536 -26.391 40.723 1.00 0.00 C ATOM 429 CG1 ILE A 32 -19.867 -27.035 41.116 1.00 0.00 C ATOM 430 CG2 ILE A 32 -18.829 -25.154 39.886 1.00 0.00 C ATOM 431 CD1 ILE A 32 -20.672 -26.219 42.104 1.00 0.00 C ATOM 0 H ILE A 32 -17.505 -28.419 41.743 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.258 -27.805 39.110 1.00 0.00 H new ATOM 0 HB ILE A 32 -17.982 -26.109 41.618 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -20.463 -27.192 40.217 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.672 -28.018 41.545 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -19.441 -24.461 40.463 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -17.892 -24.670 39.612 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.365 -25.445 38.982 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -21.601 -26.740 42.334 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.096 -26.084 43.019 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -20.900 -25.245 41.671 1.00 0.00 H new ATOM 443 N LEU A 33 -15.481 -26.431 40.260 1.00 0.00 N ATOM 444 CA LEU A 33 -14.255 -25.724 39.899 1.00 0.00 C ATOM 445 C LEU A 33 -13.510 -26.475 38.808 1.00 0.00 C ATOM 446 O LEU A 33 -13.091 -25.894 37.808 1.00 0.00 O ATOM 447 CB LEU A 33 -13.333 -25.595 41.113 1.00 0.00 C ATOM 448 CG LEU A 33 -13.779 -24.615 42.201 1.00 0.00 C ATOM 449 CD1 LEU A 33 -12.844 -24.681 43.399 1.00 0.00 C ATOM 450 CD2 LEU A 33 -13.776 -23.189 41.674 1.00 0.00 C ATOM 0 H LEU A 33 -15.509 -26.749 41.229 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.536 -24.733 39.541 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.222 -26.581 41.565 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.346 -25.292 40.763 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.788 -24.898 42.501 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.179 -23.977 44.161 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.850 -25.690 43.810 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.832 -24.423 43.086 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.096 -22.509 42.463 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.770 -22.922 41.351 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.460 -23.112 40.829 1.00 0.00 H new ATOM 462 N ALA A 34 -13.350 -27.779 39.014 1.00 0.00 N ATOM 463 CA ALA A 34 -12.656 -28.640 38.060 1.00 0.00 C ATOM 464 C ALA A 34 -13.343 -28.596 36.705 1.00 0.00 C ATOM 465 O ALA A 34 -12.692 -28.554 35.662 1.00 0.00 O ATOM 466 CB ALA A 34 -12.651 -30.080 38.551 1.00 0.00 C ATOM 0 H ALA A 34 -13.695 -28.267 39.841 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.633 -28.277 37.967 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.130 -30.709 37.829 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.142 -30.135 39.513 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.677 -30.430 38.663 1.00 0.00 H new ATOM 472 N VAL A 35 -14.673 -28.607 36.734 1.00 0.00 N ATOM 473 CA VAL A 35 -15.480 -28.569 35.518 1.00 0.00 C ATOM 474 C VAL A 35 -15.118 -27.356 34.677 1.00 0.00 C ATOM 475 O VAL A 35 -14.981 -27.445 33.458 1.00 0.00 O ATOM 476 CB VAL A 35 -16.984 -28.490 35.841 1.00 0.00 C ATOM 477 CG1 VAL A 35 -17.788 -28.241 34.574 1.00 0.00 C ATOM 478 CG2 VAL A 35 -17.463 -29.790 36.467 1.00 0.00 C ATOM 0 H VAL A 35 -15.219 -28.642 37.595 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.273 -29.489 34.971 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.131 -27.667 36.540 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.848 -28.188 34.821 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.473 -27.300 34.122 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.619 -29.056 33.870 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.528 -29.716 36.689 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.293 -30.613 35.772 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.912 -29.974 37.389 1.00 0.00 H new ATOM 488 N ALA A 36 -14.966 -26.218 35.347 1.00 0.00 N ATOM 489 CA ALA A 36 -14.619 -24.964 34.685 1.00 0.00 C ATOM 490 C ALA A 36 -13.232 -25.052 34.071 1.00 0.00 C ATOM 491 O ALA A 36 -13.018 -24.664 32.923 1.00 0.00 O ATOM 492 CB ALA A 36 -14.632 -23.816 35.683 1.00 0.00 C ATOM 0 H ALA A 36 -15.079 -26.138 36.358 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.357 -24.784 33.904 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.371 -22.888 35.174 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.627 -23.724 36.118 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.907 -24.012 36.473 1.00 0.00 H new ATOM 498 N GLY A 37 -12.289 -25.569 34.853 1.00 0.00 N ATOM 499 CA GLY A 37 -10.905 -25.721 34.412 1.00 0.00 C ATOM 500 C GLY A 37 -10.853 -26.401 33.053 1.00 0.00 C ATOM 501 O GLY A 37 -10.346 -25.843 32.081 1.00 0.00 O ATOM 0 H GLY A 37 -12.460 -25.893 35.805 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.425 -24.744 34.355 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.347 -26.308 35.141 1.00 0.00 H new ATOM 505 N LEU A 38 -11.385 -27.619 32.999 1.00 0.00 N ATOM 506 CA LEU A 38 -11.413 -28.405 31.768 1.00 0.00 C ATOM 507 C LEU A 38 -12.195 -27.674 30.689 1.00 0.00 C ATOM 508 O LEU A 38 -11.820 -27.680 29.518 1.00 0.00 O ATOM 509 CB LEU A 38 -12.078 -29.761 32.013 1.00 0.00 C ATOM 510 CG LEU A 38 -11.284 -30.763 32.854 1.00 0.00 C ATOM 511 CD1 LEU A 38 -12.110 -32.011 33.125 1.00 0.00 C ATOM 512 CD2 LEU A 38 -10.012 -31.182 32.133 1.00 0.00 C ATOM 0 H LEU A 38 -11.806 -28.087 33.801 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.383 -28.552 31.444 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.037 -29.589 32.501 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.290 -30.218 31.046 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.033 -30.272 33.794 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.527 -32.710 33.724 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.016 -31.737 33.666 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.380 -32.481 32.179 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.463 -31.894 32.748 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.270 -31.647 31.182 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.391 -30.305 31.952 1.00 0.00 H new ATOM 524 N ILE A 39 -13.289 -27.041 31.100 1.00 0.00 N ATOM 525 CA ILE A 39 -14.148 -26.293 30.187 1.00 0.00 C ATOM 526 C ILE A 39 -13.359 -25.196 29.492 1.00 0.00 C ATOM 527 O ILE A 39 -13.478 -24.995 28.284 1.00 0.00 O ATOM 528 CB ILE A 39 -15.323 -25.632 30.932 1.00 0.00 C ATOM 529 CG1 ILE A 39 -16.281 -26.697 31.468 1.00 0.00 C ATOM 530 CG2 ILE A 39 -16.096 -24.714 29.998 1.00 0.00 C ATOM 531 CD1 ILE A 39 -16.898 -27.562 30.391 1.00 0.00 C ATOM 0 H ILE A 39 -13.604 -27.031 32.070 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.533 -27.007 29.459 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.911 -25.054 31.760 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.744 -27.335 32.170 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -17.078 -26.207 32.028 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.923 -24.255 30.541 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.432 -23.935 29.622 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.488 -25.292 29.161 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -17.565 -28.293 30.849 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -17.464 -26.936 29.701 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.110 -28.082 29.846 1.00 0.00 H new ATOM 543 N TYR A 40 -12.550 -24.487 30.274 1.00 0.00 N ATOM 544 CA TYR A 40 -11.724 -23.398 29.759 1.00 0.00 C ATOM 545 C TYR A 40 -10.627 -23.942 28.858 1.00 0.00 C ATOM 546 O TYR A 40 -10.331 -23.378 27.806 1.00 0.00 O ATOM 547 CB TYR A 40 -11.069 -22.632 30.910 1.00 0.00 C ATOM 548 CG TYR A 40 -10.214 -21.468 30.463 1.00 0.00 C ATOM 549 CD1 TYR A 40 -10.795 -20.268 30.072 1.00 0.00 C ATOM 550 CD2 TYR A 40 -8.829 -21.572 30.433 1.00 0.00 C ATOM 551 CE1 TYR A 40 -10.022 -19.198 29.662 1.00 0.00 C ATOM 552 CE2 TYR A 40 -8.040 -20.513 30.026 1.00 0.00 C ATOM 553 CZ TYR A 40 -8.649 -19.320 29.639 1.00 0.00 C ATOM 554 OH TYR A 40 -7.877 -18.256 29.231 1.00 0.00 O ATOM 0 H TYR A 40 -12.448 -24.649 31.276 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.372 -22.730 29.191 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.848 -22.263 31.577 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -10.454 -23.321 31.488 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.870 -20.169 30.089 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -8.360 -22.498 30.733 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -10.491 -18.272 29.362 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.964 -20.608 30.008 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.930 -18.504 29.273 1.00 0.00 H new ATOM 564 N SER A 41 -10.027 -25.049 29.286 1.00 0.00 N ATOM 565 CA SER A 41 -8.955 -25.695 28.535 1.00 0.00 C ATOM 566 C SER A 41 -9.445 -26.110 27.157 1.00 0.00 C ATOM 567 O SER A 41 -8.813 -25.818 26.143 1.00 0.00 O ATOM 568 CB SER A 41 -8.463 -26.944 29.270 1.00 0.00 C ATOM 569 OG SER A 41 -7.845 -26.603 30.498 1.00 0.00 O ATOM 0 H SER A 41 -10.268 -25.521 30.157 1.00 0.00 H new ATOM 0 HA SER A 41 -8.140 -24.978 28.437 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.302 -27.615 29.456 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.756 -27.485 28.641 1.00 0.00 H new ATOM 0 HG SER A 41 -8.529 -26.324 31.142 1.00 0.00 H new ATOM 575 N MET A 42 -10.584 -26.797 27.135 1.00 0.00 N ATOM 576 CA MET A 42 -11.187 -27.267 25.891 1.00 0.00 C ATOM 577 C MET A 42 -11.594 -26.091 25.018 1.00 0.00 C ATOM 578 O MET A 42 -11.407 -26.107 23.802 1.00 0.00 O ATOM 579 CB MET A 42 -12.433 -28.106 26.183 1.00 0.00 C ATOM 580 CG MET A 42 -13.079 -28.708 24.946 1.00 0.00 C ATOM 581 SD MET A 42 -14.524 -29.714 25.336 1.00 0.00 S ATOM 582 CE MET A 42 -15.692 -28.450 25.833 1.00 0.00 C ATOM 0 H MET A 42 -11.112 -27.042 27.973 1.00 0.00 H new ATOM 0 HA MET A 42 -10.445 -27.874 25.372 1.00 0.00 H new ATOM 0 HB2 MET A 42 -12.164 -28.911 26.867 1.00 0.00 H new ATOM 0 HB3 MET A 42 -13.166 -27.483 26.696 1.00 0.00 H new ATOM 0 HG2 MET A 42 -13.372 -27.907 24.267 1.00 0.00 H new ATOM 0 HG3 MET A 42 -12.346 -29.320 24.420 1.00 0.00 H new ATOM 0 HE1 MET A 42 -16.696 -28.874 25.865 1.00 0.00 H new ATOM 0 HE2 MET A 42 -15.424 -28.076 26.821 1.00 0.00 H new ATOM 0 HE3 MET A 42 -15.668 -27.630 25.116 1.00 0.00 H new ATOM 592 N LEU A 43 -12.154 -25.068 25.657 1.00 0.00 N ATOM 593 CA LEU A 43 -12.599 -23.864 24.963 1.00 0.00 C ATOM 594 C LEU A 43 -11.409 -23.003 24.572 1.00 0.00 C ATOM 595 O LEU A 43 -11.367 -22.434 23.483 1.00 0.00 O ATOM 596 CB LEU A 43 -13.519 -23.036 25.862 1.00 0.00 C ATOM 597 CG LEU A 43 -14.905 -23.624 26.139 1.00 0.00 C ATOM 598 CD1 LEU A 43 -15.661 -22.767 27.142 1.00 0.00 C ATOM 599 CD2 LEU A 43 -15.724 -23.693 24.859 1.00 0.00 C ATOM 0 H LEU A 43 -12.311 -25.050 26.665 1.00 0.00 H new ATOM 0 HA LEU A 43 -13.138 -24.177 24.069 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.016 -22.881 26.817 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.649 -22.054 25.407 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.760 -24.626 26.542 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -16.643 -23.202 27.325 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -15.103 -22.724 28.077 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.779 -21.759 26.744 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.706 -24.114 25.077 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.842 -22.690 24.448 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.212 -24.325 24.133 1.00 0.00 H new ATOM 611 N ARG A 44 -10.440 -22.917 25.478 1.00 0.00 N ATOM 612 CA ARG A 44 -9.231 -22.130 25.255 1.00 0.00 C ATOM 613 C ARG A 44 -8.225 -22.920 24.434 1.00 0.00 C ATOM 614 O ARG A 44 -7.473 -22.361 23.638 1.00 0.00 O ATOM 615 CB ARG A 44 -8.580 -21.758 26.589 1.00 0.00 C ATOM 616 CG ARG A 44 -7.362 -20.859 26.456 1.00 0.00 C ATOM 617 CD ARG A 44 -7.745 -19.484 25.931 1.00 0.00 C ATOM 618 NE ARG A 44 -6.587 -18.602 25.812 1.00 0.00 N ATOM 619 CZ ARG A 44 -6.614 -17.409 25.227 1.00 0.00 C ATOM 620 NH1 ARG A 44 -7.743 -16.952 24.704 1.00 0.00 N ATOM 621 NH2 ARG A 44 -5.511 -16.675 25.166 1.00 0.00 N ATOM 0 H ARG A 44 -10.469 -23.388 26.382 1.00 0.00 H new ATOM 0 HA ARG A 44 -9.518 -21.226 24.718 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.320 -21.259 27.215 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -8.289 -22.672 27.106 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.875 -20.758 27.426 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.639 -21.319 25.782 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.223 -19.588 24.957 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.478 -19.032 26.599 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.701 -18.922 26.203 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.592 -17.516 24.750 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.763 -16.036 24.255 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.642 -17.026 25.568 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.532 -15.759 24.717 1.00 0.00 H new ATOM 635 N LYS A 45 -8.222 -24.234 24.640 1.00 0.00 N ATOM 636 CA LYS A 45 -7.316 -25.133 23.930 1.00 0.00 C ATOM 637 C LYS A 45 -7.758 -25.302 22.486 1.00 0.00 C ATOM 638 O LYS A 45 -6.951 -25.224 21.561 1.00 0.00 O ATOM 639 CB LYS A 45 -7.298 -26.511 24.595 1.00 0.00 C ATOM 640 CG LYS A 45 -6.339 -27.498 23.951 1.00 0.00 C ATOM 641 CD LYS A 45 -6.331 -28.825 24.694 1.00 0.00 C ATOM 642 CE LYS A 45 -5.382 -29.817 24.042 1.00 0.00 C ATOM 643 NZ LYS A 45 -5.355 -31.118 24.766 1.00 0.00 N ATOM 0 H LYS A 45 -8.843 -24.704 25.299 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.319 -24.694 23.963 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.030 -26.392 25.645 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.304 -26.929 24.568 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.626 -27.662 22.912 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.333 -27.078 23.942 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.035 -28.662 25.730 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.339 -29.240 24.712 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.685 -29.983 23.008 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.377 -29.395 24.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.696 -31.767 24.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.042 -30.964 25.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.308 -31.534 24.769 1.00 0.00 H new ATOM 657 N ALA A 46 -9.055 -25.536 22.305 1.00 0.00 N ATOM 658 CA ALA A 46 -9.636 -25.721 20.979 1.00 0.00 C ATOM 659 C ALA A 46 -11.133 -25.967 21.102 1.00 0.00 C ATOM 660 O ALA A 46 -11.674 -25.987 22.205 1.00 0.00 O ATOM 661 CB ALA A 46 -8.951 -26.893 20.283 1.00 0.00 C ATOM 0 H ALA A 46 -9.729 -25.602 23.068 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.483 -24.822 20.382 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.384 -27.032 19.293 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.885 -26.687 20.187 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.093 -27.799 20.872 1.00 0.00 H new TER 667 ALA A 46