USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 395 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 14 CYS SG : rot 167:sc= 0.701! USER MOD Set 1.2: A 23 CYS SG : rot 95:sc= 0.0141! USER MOD Set 1.3: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= -0.0197 USER MOD Set 2.2: A 33 ASN : amide:sc= 0 X(o=-0.02,f=0.074) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -1.17 X(o=-4.2,f=-4.4!) USER MOD Set 3.2: A 26 CYS SG : rot -151:sc= -3.04! USER MOD Set 4.1: A 7 THR OG1 : rot -17:sc= 1.06 USER MOD Set 4.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 1 GLY N :NH3+ 160:sc= -0.219 (180deg=-0.959) USER MOD Set 5.2: A 9 MET CE :methyl -129:sc= -0.05 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00126 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0519 USER MOD Single : A 5 MET CE :methyl -165:sc= -0.1 (180deg=-0.522) USER MOD Single : A 11 GLN : amide:sc=-0.00936 K(o=-0.0094,f=-0.88) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.0577 (180deg=-0.0431) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.556 K(o=0.56,f=-4.5!) USER MOD Single : A 31 TYR OH : rot 87:sc= 0.602 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.991 -46.680 -26.361 1.00100.00 N ATOM 2 CA GLY A 1 -25.782 -45.975 -25.338 1.00100.00 C ATOM 3 C GLY A 1 -26.924 -45.305 -26.016 1.00100.00 C ATOM 4 O GLY A 1 -26.728 -44.494 -26.923 1.00100.00 O ATOM 0 H1 GLY A 1 -24.035 -46.864 -25.995 1.00100.00 H new ATOM 0 H2 GLY A 1 -25.452 -47.583 -26.595 1.00100.00 H new ATOM 0 H3 GLY A 1 -24.927 -46.092 -27.216 1.00100.00 H new ATOM 0 HA2 GLY A 1 -26.144 -46.677 -24.587 1.00100.00 H new ATOM 0 HA3 GLY A 1 -25.165 -45.242 -24.818 1.00100.00 H new ATOM 10 N SER A 2 -28.131 -45.840 -25.735 1.00100.00 N ATOM 11 CA SER A 2 -29.380 -45.346 -26.267 1.00100.00 C ATOM 12 C SER A 2 -29.613 -43.933 -25.800 1.00100.00 C ATOM 13 O SER A 2 -30.008 -43.071 -26.587 1.00100.00 O ATOM 14 CB SER A 2 -30.564 -46.251 -25.860 1.00100.00 C ATOM 15 OG SER A 2 -30.671 -46.313 -24.455 1.00100.00 O ATOM 0 H SER A 2 -28.247 -46.643 -25.117 1.00100.00 H new ATOM 0 HA SER A 2 -29.315 -45.358 -27.355 1.00100.00 H new ATOM 0 HB2 SER A 2 -31.490 -45.864 -26.285 1.00100.00 H new ATOM 0 HB3 SER A 2 -30.421 -47.253 -26.265 1.00100.00 H new ATOM 0 HG SER A 2 -31.426 -46.888 -24.209 1.00100.00 H new ATOM 21 N THR A 3 -29.347 -43.684 -24.497 1.00100.00 N ATOM 22 CA THR A 3 -29.476 -42.394 -23.879 1.00100.00 C ATOM 23 C THR A 3 -28.212 -41.606 -24.155 1.00100.00 C ATOM 24 O THR A 3 -27.210 -42.161 -24.623 1.00100.00 O ATOM 25 CB THR A 3 -29.814 -42.483 -22.394 1.00100.00 C ATOM 26 OG1 THR A 3 -30.108 -41.200 -21.887 1.00100.00 O ATOM 27 CG2 THR A 3 -28.638 -43.074 -21.618 1.00100.00 C ATOM 0 H THR A 3 -29.031 -44.408 -23.852 1.00100.00 H new ATOM 0 HA THR A 3 -30.325 -41.867 -24.315 1.00100.00 H new ATOM 0 HB THR A 3 -30.684 -43.129 -22.276 1.00100.00 H new ATOM 0 HG1 THR A 3 -30.325 -41.267 -20.934 1.00100.00 H new ATOM 0 HG21 THR A 3 -28.893 -43.132 -20.560 1.00100.00 H new ATOM 0 HG22 THR A 3 -28.420 -44.074 -21.994 1.00100.00 H new ATOM 0 HG23 THR A 3 -27.762 -42.439 -21.746 1.00100.00 H new ATOM 35 N ALA A 4 -28.246 -40.279 -23.884 1.00100.00 N ATOM 36 CA ALA A 4 -27.096 -39.452 -24.117 1.00100.00 C ATOM 37 C ALA A 4 -26.202 -39.595 -22.929 1.00100.00 C ATOM 38 O ALA A 4 -26.549 -39.218 -21.806 1.00100.00 O ATOM 39 CB ALA A 4 -27.420 -37.957 -24.309 1.00100.00 C ATOM 0 H ALA A 4 -29.058 -39.788 -23.509 1.00100.00 H new ATOM 0 HA ALA A 4 -26.635 -39.785 -25.047 1.00100.00 H new ATOM 0 HB1 ALA A 4 -26.497 -37.404 -24.480 1.00100.00 H new ATOM 0 HB2 ALA A 4 -28.080 -37.835 -25.168 1.00100.00 H new ATOM 0 HB3 ALA A 4 -27.913 -37.574 -23.415 1.00100.00 H new ATOM 45 N MET A 5 -25.018 -40.188 -23.186 1.00100.00 N ATOM 46 CA MET A 5 -24.034 -40.407 -22.172 1.00100.00 C ATOM 47 C MET A 5 -23.037 -39.337 -22.470 1.00100.00 C ATOM 48 O MET A 5 -22.368 -39.380 -23.504 1.00100.00 O ATOM 49 CB MET A 5 -23.318 -41.773 -22.307 1.00100.00 C ATOM 50 CG MET A 5 -24.318 -42.918 -22.148 1.00100.00 C ATOM 51 SD MET A 5 -25.195 -42.936 -20.564 1.00100.00 S ATOM 52 CE MET A 5 -23.781 -43.093 -19.442 1.00100.00 C ATOM 0 H MET A 5 -24.742 -40.519 -24.111 1.00100.00 H new ATOM 0 HA MET A 5 -24.476 -40.395 -21.176 1.00100.00 H new ATOM 0 HB2 MET A 5 -22.830 -41.840 -23.279 1.00100.00 H new ATOM 0 HB3 MET A 5 -22.536 -41.857 -21.552 1.00100.00 H new ATOM 0 HG2 MET A 5 -25.050 -42.858 -22.953 1.00100.00 H new ATOM 0 HG3 MET A 5 -23.790 -43.864 -22.267 1.00100.00 H new ATOM 0 HE1 MET A 5 -24.132 -43.385 -18.452 1.00100.00 H new ATOM 0 HE2 MET A 5 -23.097 -43.851 -19.823 1.00100.00 H new ATOM 0 HE3 MET A 5 -23.262 -42.137 -19.375 1.00100.00 H new ATOM 62 N ALA A 6 -23.005 -38.302 -21.594 1.00100.00 N ATOM 63 CA ALA A 6 -22.142 -37.146 -21.700 1.00100.00 C ATOM 64 C ALA A 6 -22.233 -36.494 -23.059 1.00100.00 C ATOM 65 O ALA A 6 -21.223 -36.195 -23.702 1.00100.00 O ATOM 66 CB ALA A 6 -20.668 -37.387 -21.289 1.00100.00 C ATOM 0 H ALA A 6 -23.609 -38.268 -20.773 1.00100.00 H new ATOM 0 HA ALA A 6 -22.533 -36.452 -20.955 1.00100.00 H new ATOM 0 HB1 ALA A 6 -20.103 -36.462 -21.403 1.00100.00 H new ATOM 0 HB2 ALA A 6 -20.629 -37.710 -20.249 1.00100.00 H new ATOM 0 HB3 ALA A 6 -20.234 -38.158 -21.925 1.00100.00 H new ATOM 72 N THR A 7 -23.494 -36.307 -23.522 1.00100.00 N ATOM 73 CA THR A 7 -23.906 -35.713 -24.774 1.00100.00 C ATOM 74 C THR A 7 -23.648 -36.540 -26.001 1.00100.00 C ATOM 75 O THR A 7 -24.597 -36.798 -26.745 1.00100.00 O ATOM 76 CB THR A 7 -23.519 -34.254 -25.023 1.00100.00 C ATOM 77 OG1 THR A 7 -22.123 -34.125 -25.178 1.00100.00 O ATOM 78 CG2 THR A 7 -23.981 -33.385 -23.854 1.00100.00 C ATOM 0 H THR A 7 -24.299 -36.599 -22.968 1.00100.00 H new ATOM 0 HA THR A 7 -24.982 -35.701 -24.602 1.00100.00 H new ATOM 0 HB THR A 7 -24.006 -33.925 -25.941 1.00100.00 H new ATOM 0 HG1 THR A 7 -21.680 -34.926 -24.828 1.00100.00 H new ATOM 0 HG21 THR A 7 -23.702 -32.348 -24.039 1.00100.00 H new ATOM 0 HG22 THR A 7 -25.064 -33.457 -23.753 1.00100.00 H new ATOM 0 HG23 THR A 7 -23.507 -33.730 -22.935 1.00100.00 H new ATOM 86 N THR A 8 -22.392 -37.001 -26.230 1.00100.00 N ATOM 87 CA THR A 8 -22.094 -37.767 -27.415 1.00100.00 C ATOM 88 C THR A 8 -21.642 -39.154 -27.025 1.00100.00 C ATOM 89 O THR A 8 -20.911 -39.345 -26.052 1.00100.00 O ATOM 90 CB THR A 8 -21.043 -37.096 -28.273 1.00100.00 C ATOM 91 OG1 THR A 8 -21.469 -35.784 -28.577 1.00100.00 O ATOM 92 CG2 THR A 8 -20.846 -37.863 -29.579 1.00100.00 C ATOM 0 H THR A 8 -21.598 -36.847 -25.608 1.00100.00 H new ATOM 0 HA THR A 8 -23.005 -37.832 -28.009 1.00100.00 H new ATOM 0 HB THR A 8 -20.101 -37.078 -27.726 1.00100.00 H new ATOM 0 HG1 THR A 8 -20.793 -35.341 -29.131 1.00100.00 H new ATOM 0 HG21 THR A 8 -20.087 -37.365 -30.182 1.00100.00 H new ATOM 0 HG22 THR A 8 -20.524 -38.881 -29.358 1.00100.00 H new ATOM 0 HG23 THR A 8 -21.786 -37.891 -30.130 1.00100.00 H new ATOM 100 N MET A 9 -22.106 -40.152 -27.813 1.00100.00 N ATOM 101 CA MET A 9 -21.820 -41.551 -27.631 1.00100.00 C ATOM 102 C MET A 9 -20.782 -42.071 -28.604 1.00100.00 C ATOM 103 O MET A 9 -20.365 -41.371 -29.529 1.00100.00 O ATOM 104 CB MET A 9 -23.122 -42.403 -27.707 1.00100.00 C ATOM 105 CG MET A 9 -22.910 -43.833 -27.214 1.00100.00 C ATOM 106 SD MET A 9 -22.371 -43.944 -25.489 1.00100.00 S ATOM 107 CE MET A 9 -21.761 -45.646 -25.499 1.00100.00 C ATOM 0 H MET A 9 -22.710 -39.974 -28.616 1.00100.00 H new ATOM 0 HA MET A 9 -21.394 -41.651 -26.633 1.00100.00 H new ATOM 0 HB2 MET A 9 -23.900 -41.927 -27.110 1.00100.00 H new ATOM 0 HB3 MET A 9 -23.479 -42.425 -28.737 1.00100.00 H new ATOM 0 HG2 MET A 9 -23.841 -44.388 -27.330 1.00100.00 H new ATOM 0 HG3 MET A 9 -22.168 -44.319 -27.848 1.00100.00 H new ATOM 0 HE1 MET A 9 -22.202 -46.196 -24.667 1.00100.00 H new ATOM 0 HE2 MET A 9 -22.037 -46.126 -26.438 1.00100.00 H new ATOM 0 HE3 MET A 9 -20.676 -45.644 -25.398 1.00100.00 H new ATOM 117 N GLU A 10 -20.111 -43.162 -28.147 1.00100.00 N ATOM 118 CA GLU A 10 -19.071 -43.950 -28.780 1.00100.00 C ATOM 119 C GLU A 10 -17.700 -43.358 -28.771 1.00100.00 C ATOM 120 O GLU A 10 -16.740 -44.025 -29.160 1.00100.00 O ATOM 121 CB GLU A 10 -19.411 -44.440 -30.211 1.00100.00 C ATOM 122 CG GLU A 10 -20.714 -45.237 -30.206 1.00100.00 C ATOM 123 CD GLU A 10 -21.022 -45.769 -31.598 1.00100.00 C ATOM 124 OE1 GLU A 10 -21.594 -44.990 -32.389 1.00100.00 O ATOM 125 OE2 GLU A 10 -20.678 -46.945 -31.846 1.00100.00 O ATOM 0 H GLU A 10 -20.326 -43.534 -27.222 1.00100.00 H new ATOM 0 HA GLU A 10 -19.046 -44.813 -28.115 1.00100.00 H new ATOM 0 HB2 GLU A 10 -19.502 -43.586 -30.882 1.00100.00 H new ATOM 0 HB3 GLU A 10 -18.600 -45.060 -30.592 1.00100.00 H new ATOM 0 HG2 GLU A 10 -20.637 -46.066 -29.503 1.00100.00 H new ATOM 0 HG3 GLU A 10 -21.533 -44.604 -29.863 1.00100.00 H new ATOM 132 N GLN A 11 -17.570 -42.113 -28.274 1.00100.00 N ATOM 133 CA GLN A 11 -16.296 -41.473 -28.184 1.00100.00 C ATOM 134 C GLN A 11 -15.687 -41.613 -26.801 1.00100.00 C ATOM 135 O GLN A 11 -14.617 -41.073 -26.541 1.00100.00 O ATOM 136 CB GLN A 11 -16.310 -40.078 -28.858 1.00100.00 C ATOM 137 CG GLN A 11 -17.327 -39.111 -28.265 1.00100.00 C ATOM 138 CD GLN A 11 -17.311 -37.807 -29.056 1.00100.00 C ATOM 139 OE1 GLN A 11 -17.716 -37.785 -30.214 1.00100.00 O ATOM 140 NE2 GLN A 11 -16.830 -36.725 -28.439 1.00100.00 N ATOM 0 H GLN A 11 -18.350 -41.550 -27.934 1.00100.00 H new ATOM 0 HA GLN A 11 -15.562 -42.002 -28.791 1.00100.00 H new ATOM 0 HB2 GLN A 11 -15.316 -39.638 -28.778 1.00100.00 H new ATOM 0 HB3 GLN A 11 -16.519 -40.202 -29.921 1.00100.00 H new ATOM 0 HG2 GLN A 11 -18.323 -39.553 -28.292 1.00100.00 H new ATOM 0 HG3 GLN A 11 -17.093 -38.917 -27.218 1.00100.00 H new ATOM 0 HE21 GLN A 11 -16.504 -36.790 -27.475 1.00100.00 H new ATOM 0 HE22 GLN A 11 -16.788 -35.833 -28.932 1.00100.00 H new ATOM 149 N GLU A 12 -16.366 -42.375 -25.897 1.00100.00 N ATOM 150 CA GLU A 12 -15.996 -42.722 -24.532 1.00100.00 C ATOM 151 C GLU A 12 -15.972 -41.595 -23.536 1.00100.00 C ATOM 152 O GLU A 12 -16.152 -40.453 -23.937 1.00100.00 O ATOM 153 CB GLU A 12 -14.806 -43.687 -24.403 1.00100.00 C ATOM 154 CG GLU A 12 -15.108 -45.013 -25.095 1.00100.00 C ATOM 155 CD GLU A 12 -14.011 -46.043 -24.845 1.00100.00 C ATOM 156 OE1 GLU A 12 -13.035 -45.693 -24.147 1.00100.00 O ATOM 157 OE2 GLU A 12 -14.173 -47.172 -25.357 1.00100.00 O ATOM 0 H GLU A 12 -17.264 -42.789 -26.147 1.00100.00 H new ATOM 0 HA GLU A 12 -16.864 -43.305 -24.222 1.00100.00 H new ATOM 0 HB2 GLU A 12 -13.917 -43.236 -24.843 1.00100.00 H new ATOM 0 HB3 GLU A 12 -14.587 -43.863 -23.350 1.00100.00 H new ATOM 0 HG2 GLU A 12 -16.061 -45.402 -24.736 1.00100.00 H new ATOM 0 HG3 GLU A 12 -15.215 -44.848 -26.167 1.00100.00 H new ATOM 164 N ILE A 13 -15.837 -41.870 -22.199 1.00100.00 N ATOM 165 CA ILE A 13 -15.844 -40.797 -21.212 1.00100.00 C ATOM 166 C ILE A 13 -14.861 -41.119 -20.089 1.00100.00 C ATOM 167 O ILE A 13 -14.946 -42.205 -19.509 1.00100.00 O ATOM 168 CB ILE A 13 -17.198 -40.724 -20.482 1.00100.00 C ATOM 169 CG1 ILE A 13 -18.338 -40.553 -21.494 1.00100.00 C ATOM 170 CG2 ILE A 13 -17.186 -39.537 -19.511 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.710 -40.680 -20.830 1.00100.00 C ATOM 0 H ILE A 13 -15.726 -42.807 -21.812 1.00100.00 H new ATOM 0 HA ILE A 13 -15.609 -39.881 -21.754 1.00100.00 H new ATOM 0 HB ILE A 13 -17.357 -41.650 -19.929 1.00100.00 H new ATOM 0 HG12 ILE A 13 -18.255 -39.578 -21.974 1.00100.00 H new ATOM 0 HG13 ILE A 13 -18.243 -41.303 -22.279 1.00100.00 H new ATOM 0 HG21 ILE A 13 -18.143 -39.482 -18.992 1.00100.00 H new ATOM 0 HG22 ILE A 13 -16.386 -39.670 -18.783 1.00100.00 H new ATOM 0 HG23 ILE A 13 -17.021 -38.614 -20.067 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.490 -40.553 -21.580 1.00100.00 H new ATOM 0 HD12 ILE A 13 -19.803 -41.665 -20.373 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.815 -39.913 -20.063 1.00100.00 H new ATOM 183 N CYS A 14 -13.917 -40.191 -19.755 1.00100.00 N ATOM 184 CA CYS A 14 -12.986 -40.365 -18.652 1.00100.00 C ATOM 185 C CYS A 14 -13.081 -39.139 -17.743 1.00100.00 C ATOM 186 O CYS A 14 -14.153 -38.892 -17.190 1.00100.00 O ATOM 187 CB CYS A 14 -11.523 -40.683 -19.028 1.00100.00 C ATOM 188 SG CYS A 14 -10.542 -40.811 -17.506 1.00100.00 S ATOM 0 H CYS A 14 -13.799 -39.310 -20.256 1.00100.00 H new ATOM 0 HA CYS A 14 -13.297 -41.273 -18.135 1.00100.00 H new ATOM 0 HB2 CYS A 14 -11.472 -41.616 -19.589 1.00100.00 H new ATOM 0 HB3 CYS A 14 -11.120 -39.901 -19.672 1.00100.00 H new ATOM 0 HG CYS A 14 -9.388 -41.345 -17.777 1.00100.00 H new ATOM 194 N ALA A 15 -11.985 -38.329 -17.580 1.00100.00 N ATOM 195 CA ALA A 15 -11.953 -37.146 -16.758 1.00100.00 C ATOM 196 C ALA A 15 -12.191 -35.833 -17.480 1.00100.00 C ATOM 197 O ALA A 15 -13.257 -35.267 -17.261 1.00100.00 O ATOM 198 CB ALA A 15 -10.640 -37.016 -15.971 1.00100.00 C ATOM 0 H ALA A 15 -11.095 -38.515 -18.043 1.00100.00 H new ATOM 0 HA ALA A 15 -12.799 -37.307 -16.089 1.00100.00 H new ATOM 0 HB1 ALA A 15 -10.666 -36.109 -15.367 1.00100.00 H new ATOM 0 HB2 ALA A 15 -10.519 -37.882 -15.320 1.00100.00 H new ATOM 0 HB3 ALA A 15 -9.802 -36.965 -16.667 1.00100.00 H new ATOM 204 N HIS A 16 -11.263 -35.282 -18.336 1.00100.00 N ATOM 205 CA HIS A 16 -11.573 -34.026 -19.015 1.00100.00 C ATOM 206 C HIS A 16 -11.178 -33.719 -20.452 1.00100.00 C ATOM 207 O HIS A 16 -10.095 -33.214 -20.741 1.00100.00 O ATOM 208 CB HIS A 16 -11.327 -32.733 -18.181 1.00100.00 C ATOM 209 CG HIS A 16 -9.912 -32.497 -17.738 1.00100.00 C ATOM 210 ND1 HIS A 16 -9.361 -32.914 -16.549 1.00100.00 N ATOM 211 CD2 HIS A 16 -8.989 -31.709 -18.372 1.00100.00 C ATOM 212 CE1 HIS A 16 -8.125 -32.385 -16.477 1.00100.00 C ATOM 213 NE2 HIS A 16 -7.853 -31.644 -17.563 1.00100.00 N ATOM 0 H HIS A 16 -10.349 -35.682 -18.548 1.00100.00 H new ATOM 0 HA HIS A 16 -12.621 -34.312 -19.107 1.00100.00 H new ATOM 0 HB2 HIS A 16 -11.650 -31.876 -18.772 1.00100.00 H new ATOM 0 HB3 HIS A 16 -11.963 -32.768 -17.296 1.00100.00 H new ATOM 0 HD2 HIS A 16 -9.117 -31.224 -19.328 1.00100.00 H new ATOM 0 HE1 HIS A 16 -7.442 -32.537 -15.654 1.00100.00 H new ATOM 0 HE2 HIS A 16 -6.990 -31.136 -17.758 1.00100.00 H new ATOM 221 N SER A 17 -12.105 -34.002 -21.389 1.00100.00 N ATOM 222 CA SER A 17 -12.020 -33.744 -22.805 1.00100.00 C ATOM 223 C SER A 17 -10.829 -34.157 -23.654 1.00100.00 C ATOM 224 O SER A 17 -10.278 -33.316 -24.372 1.00100.00 O ATOM 225 CB SER A 17 -12.430 -32.272 -23.074 1.00100.00 C ATOM 226 OG SER A 17 -13.740 -32.047 -22.604 1.00100.00 O ATOM 0 H SER A 17 -12.987 -34.448 -21.138 1.00100.00 H new ATOM 0 HA SER A 17 -12.714 -34.495 -23.182 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.735 -31.595 -22.578 1.00100.00 H new ATOM 0 HB3 SER A 17 -12.375 -32.059 -24.142 1.00100.00 H new ATOM 0 HG SER A 17 -13.993 -31.116 -22.775 1.00100.00 H new ATOM 232 N MET A 18 -10.387 -35.446 -23.604 1.00100.00 N ATOM 233 CA MET A 18 -9.264 -35.852 -24.432 1.00100.00 C ATOM 234 C MET A 18 -9.324 -37.070 -25.318 1.00100.00 C ATOM 235 O MET A 18 -10.039 -37.031 -26.309 1.00100.00 O ATOM 236 CB MET A 18 -7.852 -35.744 -23.808 1.00100.00 C ATOM 237 CG MET A 18 -7.225 -34.356 -23.949 1.00100.00 C ATOM 238 SD MET A 18 -7.864 -33.066 -22.854 1.00100.00 S ATOM 239 CE MET A 18 -6.861 -31.683 -23.450 1.00100.00 C ATOM 0 H MET A 18 -10.786 -36.179 -23.018 1.00100.00 H new ATOM 0 HA MET A 18 -9.443 -35.029 -25.123 1.00100.00 H new ATOM 0 HB2 MET A 18 -7.911 -36.001 -22.750 1.00100.00 H new ATOM 0 HB3 MET A 18 -7.199 -36.478 -24.279 1.00100.00 H new ATOM 0 HG2 MET A 18 -6.152 -34.447 -23.779 1.00100.00 H new ATOM 0 HG3 MET A 18 -7.357 -34.025 -24.979 1.00100.00 H new ATOM 0 HE1 MET A 18 -7.113 -30.783 -22.889 1.00100.00 H new ATOM 0 HE2 MET A 18 -5.805 -31.913 -23.311 1.00100.00 H new ATOM 0 HE3 MET A 18 -7.060 -31.519 -24.509 1.00100.00 H new ATOM 249 N THR A 19 -8.511 -38.133 -25.062 1.00100.00 N ATOM 250 CA THR A 19 -8.436 -39.308 -25.901 1.00100.00 C ATOM 251 C THR A 19 -8.295 -40.544 -25.049 1.00100.00 C ATOM 252 O THR A 19 -7.945 -40.469 -23.871 1.00100.00 O ATOM 253 CB THR A 19 -7.226 -39.226 -26.848 1.00100.00 C ATOM 254 OG1 THR A 19 -7.220 -37.959 -27.467 1.00100.00 O ATOM 255 CG2 THR A 19 -7.240 -40.292 -27.944 1.00100.00 C ATOM 0 H THR A 19 -7.892 -38.174 -24.252 1.00100.00 H new ATOM 0 HA THR A 19 -9.353 -39.359 -26.488 1.00100.00 H new ATOM 0 HB THR A 19 -6.336 -39.392 -26.241 1.00100.00 H new ATOM 0 HG1 THR A 19 -6.452 -37.894 -28.072 1.00100.00 H new ATOM 0 HG21 THR A 19 -6.359 -40.176 -28.575 1.00100.00 H new ATOM 0 HG22 THR A 19 -7.233 -41.282 -27.489 1.00100.00 H new ATOM 0 HG23 THR A 19 -8.138 -40.178 -28.551 1.00100.00 H new ATOM 263 N PHE A 20 -8.556 -41.734 -25.641 1.00100.00 N ATOM 264 CA PHE A 20 -8.463 -43.022 -24.992 1.00100.00 C ATOM 265 C PHE A 20 -7.053 -43.235 -24.484 1.00100.00 C ATOM 266 O PHE A 20 -6.860 -43.632 -23.334 1.00100.00 O ATOM 267 CB PHE A 20 -8.799 -44.128 -26.031 1.00100.00 C ATOM 268 CG PHE A 20 -8.702 -45.534 -25.486 1.00100.00 C ATOM 269 CD1 PHE A 20 -7.489 -46.233 -25.557 1.00100.00 C ATOM 270 CD2 PHE A 20 -9.826 -46.143 -24.916 1.00100.00 C ATOM 271 CE1 PHE A 20 -7.405 -47.541 -25.061 1.00100.00 C ATOM 272 CE2 PHE A 20 -9.744 -47.450 -24.422 1.00100.00 C ATOM 273 CZ PHE A 20 -8.535 -48.150 -24.495 1.00100.00 C ATOM 0 H PHE A 20 -8.845 -41.803 -26.617 1.00100.00 H new ATOM 0 HA PHE A 20 -9.160 -43.064 -24.155 1.00100.00 H new ATOM 0 HB2 PHE A 20 -9.809 -43.964 -26.407 1.00100.00 H new ATOM 0 HB3 PHE A 20 -8.123 -44.031 -26.881 1.00100.00 H new ATOM 0 HD1 PHE A 20 -6.620 -45.764 -25.994 1.00100.00 H new ATOM 0 HD2 PHE A 20 -10.759 -45.603 -24.857 1.00100.00 H new ATOM 0 HE1 PHE A 20 -6.471 -48.080 -25.114 1.00100.00 H new ATOM 0 HE2 PHE A 20 -10.614 -47.918 -23.985 1.00100.00 H new ATOM 0 HZ PHE A 20 -8.472 -49.159 -24.116 1.00100.00 H new ATOM 283 N GLU A 21 -6.047 -42.943 -25.336 1.00100.00 N ATOM 284 CA GLU A 21 -4.650 -43.068 -25.014 1.00100.00 C ATOM 285 C GLU A 21 -4.275 -42.102 -23.931 1.00100.00 C ATOM 286 O GLU A 21 -3.484 -42.420 -23.043 1.00100.00 O ATOM 287 CB GLU A 21 -3.742 -42.812 -26.227 1.00100.00 C ATOM 288 CG GLU A 21 -4.081 -43.784 -27.355 1.00100.00 C ATOM 289 CD GLU A 21 -3.189 -43.540 -28.563 1.00100.00 C ATOM 290 OE1 GLU A 21 -3.364 -42.472 -29.191 1.00100.00 O ATOM 291 OE2 GLU A 21 -2.346 -44.421 -28.837 1.00100.00 O ATOM 0 H GLU A 21 -6.211 -42.607 -26.285 1.00100.00 H new ATOM 0 HA GLU A 21 -4.502 -44.095 -24.682 1.00100.00 H new ATOM 0 HB2 GLU A 21 -3.865 -41.786 -26.572 1.00100.00 H new ATOM 0 HB3 GLU A 21 -2.697 -42.928 -25.939 1.00100.00 H new ATOM 0 HG2 GLU A 21 -3.958 -44.810 -27.007 1.00100.00 H new ATOM 0 HG3 GLU A 21 -5.127 -43.668 -27.640 1.00100.00 H new ATOM 298 N GLU A 22 -4.848 -40.885 -24.013 1.00100.00 N ATOM 299 CA GLU A 22 -4.644 -39.806 -23.091 1.00100.00 C ATOM 300 C GLU A 22 -5.294 -40.010 -21.753 1.00100.00 C ATOM 301 O GLU A 22 -4.854 -39.397 -20.780 1.00100.00 O ATOM 302 CB GLU A 22 -5.133 -38.469 -23.681 1.00100.00 C ATOM 303 CG GLU A 22 -4.356 -38.088 -24.939 1.00100.00 C ATOM 304 CD GLU A 22 -2.912 -37.753 -24.603 1.00100.00 C ATOM 305 OE1 GLU A 22 -2.721 -36.772 -23.852 1.00100.00 O ATOM 306 OE2 GLU A 22 -2.027 -38.479 -25.105 1.00100.00 O ATOM 0 H GLU A 22 -5.491 -40.640 -24.766 1.00100.00 H new ATOM 0 HA GLU A 22 -3.566 -39.781 -22.928 1.00100.00 H new ATOM 0 HB2 GLU A 22 -6.195 -38.542 -23.917 1.00100.00 H new ATOM 0 HB3 GLU A 22 -5.026 -37.681 -22.935 1.00100.00 H new ATOM 0 HG2 GLU A 22 -4.386 -38.911 -25.653 1.00100.00 H new ATOM 0 HG3 GLU A 22 -4.830 -37.232 -25.419 1.00100.00 H new ATOM 313 N CYS A 23 -6.265 -40.955 -21.632 1.00100.00 N ATOM 314 CA CYS A 23 -7.007 -41.183 -20.412 1.00100.00 C ATOM 315 C CYS A 23 -6.181 -41.436 -19.172 1.00100.00 C ATOM 316 O CYS A 23 -6.534 -40.815 -18.170 1.00100.00 O ATOM 317 CB CYS A 23 -7.984 -42.352 -20.550 1.00100.00 C ATOM 318 SG CYS A 23 -8.733 -42.829 -18.977 1.00100.00 S ATOM 0 H CYS A 23 -6.539 -41.572 -22.397 1.00100.00 H new ATOM 0 HA CYS A 23 -7.524 -40.233 -20.273 1.00100.00 H new ATOM 0 HB2 CYS A 23 -8.771 -42.081 -21.254 1.00100.00 H new ATOM 0 HB3 CYS A 23 -7.460 -43.209 -20.972 1.00100.00 H new ATOM 0 HG CYS A 23 -9.877 -42.227 -18.841 1.00100.00 H new ATOM 324 N PRO A 24 -5.097 -42.282 -19.133 1.00100.00 N ATOM 325 CA PRO A 24 -4.320 -42.450 -17.925 1.00100.00 C ATOM 326 C PRO A 24 -3.675 -41.168 -17.461 1.00100.00 C ATOM 327 O PRO A 24 -3.463 -41.046 -16.253 1.00100.00 O ATOM 328 CB PRO A 24 -3.315 -43.571 -18.198 1.00100.00 C ATOM 329 CG PRO A 24 -3.192 -43.531 -19.724 1.00100.00 C ATOM 330 CD PRO A 24 -4.587 -43.116 -20.193 1.00100.00 C ATOM 0 HA PRO A 24 -4.966 -42.726 -17.091 1.00100.00 H new ATOM 0 HB2 PRO A 24 -2.359 -43.389 -17.708 1.00100.00 H new ATOM 0 HB3 PRO A 24 -3.676 -44.537 -17.844 1.00100.00 H new ATOM 0 HG2 PRO A 24 -2.433 -42.817 -20.045 1.00100.00 H new ATOM 0 HG3 PRO A 24 -2.907 -44.503 -20.128 1.00100.00 H new ATOM 0 HD2 PRO A 24 -4.542 -42.573 -21.137 1.00100.00 H new ATOM 0 HD3 PRO A 24 -5.225 -43.985 -20.355 1.00100.00 H new ATOM 338 N LYS A 25 -3.345 -40.231 -18.397 1.00100.00 N ATOM 339 CA LYS A 25 -2.754 -38.961 -18.054 1.00100.00 C ATOM 340 C LYS A 25 -3.707 -38.185 -17.216 1.00100.00 C ATOM 341 O LYS A 25 -3.291 -37.632 -16.192 1.00100.00 O ATOM 342 CB LYS A 25 -2.376 -38.056 -19.238 1.00100.00 C ATOM 343 CG LYS A 25 -1.377 -38.785 -20.134 1.00100.00 C ATOM 344 CD LYS A 25 -0.912 -37.846 -21.244 1.00100.00 C ATOM 345 CE LYS A 25 0.076 -38.562 -22.161 1.00100.00 C ATOM 346 NZ LYS A 25 -0.553 -39.708 -22.835 1.00100.00 N ATOM 0 H LYS A 25 -3.492 -40.361 -19.398 1.00100.00 H new ATOM 0 HA LYS A 25 -1.828 -39.225 -17.543 1.00100.00 H new ATOM 0 HB2 LYS A 25 -3.267 -37.792 -19.807 1.00100.00 H new ATOM 0 HB3 LYS A 25 -1.943 -37.124 -18.874 1.00100.00 H new ATOM 0 HG2 LYS A 25 -0.523 -39.122 -19.546 1.00100.00 H new ATOM 0 HG3 LYS A 25 -1.839 -39.674 -20.564 1.00100.00 H new ATOM 0 HD2 LYS A 25 -1.770 -37.500 -21.821 1.00100.00 H new ATOM 0 HD3 LYS A 25 -0.443 -36.963 -20.810 1.00100.00 H new ATOM 0 HE2 LYS A 25 0.456 -37.863 -22.906 1.00100.00 H new ATOM 0 HE3 LYS A 25 0.932 -38.905 -21.580 1.00100.00 H new ATOM 0 HZ1 LYS A 25 0.062 -40.038 -23.606 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -0.694 -40.479 -22.151 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -1.473 -39.419 -23.225 1.00100.00 H new ATOM 360 N CYS A 26 -5.002 -38.149 -17.626 1.00100.00 N ATOM 361 CA CYS A 26 -5.913 -37.444 -16.796 1.00100.00 C ATOM 362 C CYS A 26 -6.991 -38.250 -16.203 1.00100.00 C ATOM 363 O CYS A 26 -7.982 -38.642 -16.818 1.00100.00 O ATOM 364 CB CYS A 26 -6.414 -36.084 -17.258 1.00100.00 C ATOM 365 SG CYS A 26 -7.622 -35.444 -16.077 1.00100.00 S ATOM 0 H CYS A 26 -5.384 -38.577 -18.469 1.00100.00 H new ATOM 0 HA CYS A 26 -5.218 -37.195 -15.994 1.00100.00 H new ATOM 0 HB2 CYS A 26 -5.578 -35.390 -17.350 1.00100.00 H new ATOM 0 HB3 CYS A 26 -6.867 -36.169 -18.246 1.00100.00 H new ATOM 0 HG CYS A 26 -8.464 -34.669 -16.694 1.00100.00 H new ATOM 371 N SER A 27 -6.684 -38.514 -14.933 1.00100.00 N ATOM 372 CA SER A 27 -7.442 -39.157 -13.908 1.00100.00 C ATOM 373 C SER A 27 -7.247 -38.120 -12.796 1.00100.00 C ATOM 374 O SER A 27 -7.275 -38.434 -11.605 1.00100.00 O ATOM 375 CB SER A 27 -6.804 -40.502 -13.497 1.00100.00 C ATOM 376 OG SER A 27 -6.790 -41.371 -14.609 1.00100.00 O ATOM 0 H SER A 27 -5.771 -38.236 -14.572 1.00100.00 H new ATOM 0 HA SER A 27 -8.471 -39.403 -14.171 1.00100.00 H new ATOM 0 HB2 SER A 27 -5.789 -40.340 -13.135 1.00100.00 H new ATOM 0 HB3 SER A 27 -7.367 -40.950 -12.678 1.00100.00 H new ATOM 0 HG SER A 27 -6.384 -42.225 -14.352 1.00100.00 H new ATOM 382 N ALA A 28 -7.067 -36.832 -13.206 1.00100.00 N ATOM 383 CA ALA A 28 -6.801 -35.678 -12.420 1.00100.00 C ATOM 384 C ALA A 28 -7.978 -35.216 -11.639 1.00100.00 C ATOM 385 O ALA A 28 -9.115 -35.614 -11.881 1.00100.00 O ATOM 386 CB ALA A 28 -6.252 -34.497 -13.250 1.00100.00 C ATOM 0 H ALA A 28 -7.117 -36.596 -14.197 1.00100.00 H new ATOM 0 HA ALA A 28 -6.030 -36.004 -11.722 1.00100.00 H new ATOM 0 HB1 ALA A 28 -6.069 -33.646 -12.594 1.00100.00 H new ATOM 0 HB2 ALA A 28 -5.319 -34.792 -13.731 1.00100.00 H new ATOM 0 HB3 ALA A 28 -6.980 -34.218 -14.012 1.00100.00 H new ATOM 392 N LEU A 29 -7.677 -34.292 -10.708 1.00100.00 N ATOM 393 CA LEU A 29 -8.575 -33.706 -9.767 1.00100.00 C ATOM 394 C LEU A 29 -9.744 -33.021 -10.396 1.00100.00 C ATOM 395 O LEU A 29 -10.835 -33.104 -9.828 1.00100.00 O ATOM 396 CB LEU A 29 -7.871 -32.642 -8.901 1.00100.00 C ATOM 397 CG LEU A 29 -6.669 -33.228 -8.153 1.00100.00 C ATOM 398 CD1 LEU A 29 -5.990 -32.115 -7.359 1.00100.00 C ATOM 399 CD2 LEU A 29 -7.108 -34.332 -7.192 1.00100.00 C ATOM 0 H LEU A 29 -6.729 -33.928 -10.609 1.00100.00 H new ATOM 0 HA LEU A 29 -8.923 -34.551 -9.173 1.00100.00 H new ATOM 0 HB2 LEU A 29 -7.540 -31.818 -9.533 1.00100.00 H new ATOM 0 HB3 LEU A 29 -8.580 -32.228 -8.184 1.00100.00 H new ATOM 0 HG LEU A 29 -5.979 -33.656 -8.880 1.00100.00 H new ATOM 0 HD11 LEU A 29 -5.133 -32.522 -6.823 1.00100.00 H new ATOM 0 HD12 LEU A 29 -5.654 -31.334 -8.041 1.00100.00 H new ATOM 0 HD13 LEU A 29 -6.698 -31.693 -6.645 1.00100.00 H new ATOM 0 HD21 LEU A 29 -6.236 -34.731 -6.674 1.00100.00 H new ATOM 0 HD22 LEU A 29 -7.808 -33.923 -6.463 1.00100.00 H new ATOM 0 HD23 LEU A 29 -7.594 -35.131 -7.753 1.00100.00 H new ATOM 411 N GLN A 30 -9.579 -32.386 -11.583 1.00100.00 N ATOM 412 CA GLN A 30 -10.676 -31.693 -12.211 1.00100.00 C ATOM 413 C GLN A 30 -11.870 -32.537 -12.603 1.00100.00 C ATOM 414 O GLN A 30 -12.978 -32.177 -12.203 1.00100.00 O ATOM 415 CB GLN A 30 -10.232 -30.944 -13.484 1.00100.00 C ATOM 416 CG GLN A 30 -9.031 -30.040 -13.212 1.00100.00 C ATOM 417 CD GLN A 30 -8.593 -29.347 -14.496 1.00100.00 C ATOM 418 OE1 GLN A 30 -9.374 -28.626 -15.112 1.00100.00 O ATOM 419 NE2 GLN A 30 -7.342 -29.572 -14.904 1.00100.00 N ATOM 0 H GLN A 30 -8.700 -32.353 -12.100 1.00100.00 H new ATOM 0 HA GLN A 30 -10.994 -31.017 -11.417 1.00100.00 H new ATOM 0 HB2 GLN A 30 -9.978 -31.665 -14.261 1.00100.00 H new ATOM 0 HB3 GLN A 30 -11.061 -30.346 -13.863 1.00100.00 H new ATOM 0 HG2 GLN A 30 -9.290 -29.296 -12.459 1.00100.00 H new ATOM 0 HG3 GLN A 30 -8.207 -30.629 -12.809 1.00100.00 H new ATOM 0 HE21 GLN A 30 -6.729 -30.179 -14.359 1.00100.00 H new ATOM 0 HE22 GLN A 30 -6.999 -29.137 -15.761 1.00100.00 H new ATOM 428 N TYR A 31 -11.687 -33.678 -13.334 1.00100.00 N ATOM 429 CA TYR A 31 -12.769 -34.556 -13.786 1.00100.00 C ATOM 430 C TYR A 31 -13.911 -33.808 -14.469 1.00100.00 C ATOM 431 O TYR A 31 -15.079 -34.176 -14.312 1.00100.00 O ATOM 432 CB TYR A 31 -13.399 -35.518 -12.722 1.00100.00 C ATOM 433 CG TYR A 31 -12.430 -36.531 -12.162 1.00100.00 C ATOM 434 CD1 TYR A 31 -12.079 -37.651 -12.927 1.00100.00 C ATOM 435 CD2 TYR A 31 -11.908 -36.370 -10.869 1.00100.00 C ATOM 436 CE1 TYR A 31 -11.208 -38.617 -12.405 1.00100.00 C ATOM 437 CE2 TYR A 31 -11.039 -37.332 -10.338 1.00100.00 C ATOM 438 CZ TYR A 31 -10.688 -38.463 -11.104 1.00100.00 C ATOM 439 OH TYR A 31 -9.850 -39.406 -10.588 1.00100.00 O ATOM 0 H TYR A 31 -10.763 -34.002 -13.621 1.00100.00 H new ATOM 0 HA TYR A 31 -12.228 -35.181 -14.496 1.00100.00 H new ATOM 0 HB2 TYR A 31 -13.801 -34.923 -11.902 1.00100.00 H new ATOM 0 HB3 TYR A 31 -14.239 -36.045 -13.175 1.00100.00 H new ATOM 0 HD1 TYR A 31 -12.481 -37.770 -13.922 1.00100.00 H new ATOM 0 HD2 TYR A 31 -12.177 -35.504 -10.283 1.00100.00 H new ATOM 0 HE1 TYR A 31 -10.936 -39.477 -12.998 1.00100.00 H new ATOM 0 HE2 TYR A 31 -10.638 -37.208 -9.343 1.00100.00 H new ATOM 0 HH TYR A 31 -8.928 -39.205 -10.854 1.00100.00 H new ATOM 449 N ARG A 32 -13.607 -32.763 -15.278 1.00100.00 N ATOM 450 CA ARG A 32 -14.640 -31.955 -15.893 1.00100.00 C ATOM 451 C ARG A 32 -15.603 -32.543 -16.886 1.00100.00 C ATOM 452 O ARG A 32 -16.809 -32.339 -16.727 1.00100.00 O ATOM 453 CB ARG A 32 -14.101 -30.674 -16.552 1.00100.00 C ATOM 454 CG ARG A 32 -13.294 -29.857 -15.552 1.00100.00 C ATOM 455 CD ARG A 32 -12.832 -28.553 -16.198 1.00100.00 C ATOM 456 NE ARG A 32 -12.111 -27.716 -15.237 1.00100.00 N ATOM 457 CZ ARG A 32 -12.712 -26.992 -14.281 1.00100.00 C ATOM 458 NH1 ARG A 32 -14.047 -26.995 -14.162 1.00100.00 N ATOM 459 NH2 ARG A 32 -11.971 -26.258 -13.440 1.00100.00 N ATOM 0 H ARG A 32 -12.655 -32.477 -15.507 1.00100.00 H new ATOM 0 HA ARG A 32 -15.219 -31.796 -14.983 1.00100.00 H new ATOM 0 HB2 ARG A 32 -13.476 -30.933 -17.407 1.00100.00 H new ATOM 0 HB3 ARG A 32 -14.930 -30.077 -16.933 1.00100.00 H new ATOM 0 HG2 ARG A 32 -13.900 -29.642 -14.672 1.00100.00 H new ATOM 0 HG3 ARG A 32 -12.431 -30.430 -15.213 1.00100.00 H new ATOM 0 HD2 ARG A 32 -12.187 -28.773 -17.049 1.00100.00 H new ATOM 0 HD3 ARG A 32 -13.694 -28.009 -16.584 1.00100.00 H new ATOM 0 HE ARG A 32 -11.093 -27.681 -15.298 1.00100.00 H new ATOM 0 HH11 ARG A 32 -14.615 -27.551 -14.801 1.00100.00 H new ATOM 0 HH12 ARG A 32 -14.495 -26.441 -13.432 1.00100.00 H new ATOM 0 HH21 ARG A 32 -10.955 -26.252 -13.528 1.00100.00 H new ATOM 0 HH22 ARG A 32 -12.423 -25.706 -12.711 1.00100.00 H new ATOM 473 N ASN A 33 -15.120 -33.293 -17.909 1.00100.00 N ATOM 474 CA ASN A 33 -16.006 -33.839 -18.915 1.00100.00 C ATOM 475 C ASN A 33 -15.696 -35.297 -19.106 1.00100.00 C ATOM 476 O ASN A 33 -16.380 -36.151 -18.542 1.00100.00 O ATOM 477 CB ASN A 33 -15.890 -33.115 -20.289 1.00100.00 C ATOM 478 CG ASN A 33 -16.227 -31.638 -20.140 1.00100.00 C ATOM 479 OD1 ASN A 33 -17.386 -31.282 -19.940 1.00100.00 O ATOM 480 ND2 ASN A 33 -15.209 -30.778 -20.228 1.00100.00 N ATOM 0 H ASN A 33 -14.134 -33.519 -18.040 1.00100.00 H new ATOM 0 HA ASN A 33 -17.025 -33.693 -18.556 1.00100.00 H new ATOM 0 HB2 ASN A 33 -14.879 -33.226 -20.682 1.00100.00 H new ATOM 0 HB3 ASN A 33 -16.565 -33.578 -21.009 1.00100.00 H new ATOM 0 HD21 ASN A 33 -15.377 -29.777 -20.128 1.00100.00 H new ATOM 0 HD22 ASN A 33 -14.264 -31.122 -20.395 1.00100.00 H new ATOM 487 N GLY A 34 -14.658 -35.611 -19.923 1.00100.00 N ATOM 488 CA GLY A 34 -14.247 -36.961 -20.170 1.00100.00 C ATOM 489 C GLY A 34 -12.944 -36.925 -20.899 1.00100.00 C ATOM 490 O GLY A 34 -12.887 -36.490 -22.044 1.00100.00 O ATOM 0 H GLY A 34 -14.101 -34.913 -20.416 1.00100.00 H new ATOM 0 HA2 GLY A 34 -14.143 -37.505 -19.231 1.00100.00 H new ATOM 0 HA3 GLY A 34 -14.999 -37.485 -20.760 1.00100.00 H new ATOM 494 N PHE A 35 -11.869 -37.487 -20.306 1.00100.00 N ATOM 495 CA PHE A 35 -10.543 -37.479 -20.868 1.00100.00 C ATOM 496 C PHE A 35 -10.452 -38.465 -21.998 1.00100.00 C ATOM 497 O PHE A 35 -9.427 -38.485 -22.669 1.00100.00 O ATOM 498 CB PHE A 35 -9.438 -37.724 -19.820 1.00100.00 C ATOM 499 CG PHE A 35 -8.235 -36.851 -20.096 1.00100.00 C ATOM 500 CD1 PHE A 35 -8.334 -35.465 -19.927 1.00100.00 C ATOM 501 CD2 PHE A 35 -7.026 -37.406 -20.528 1.00100.00 C ATOM 502 CE1 PHE A 35 -7.239 -34.633 -20.184 1.00100.00 C ATOM 503 CE2 PHE A 35 -5.919 -36.578 -20.767 1.00100.00 C ATOM 504 CZ PHE A 35 -6.026 -35.191 -20.605 1.00100.00 C ATOM 0 H PHE A 35 -11.922 -37.963 -19.406 1.00100.00 H new ATOM 0 HA PHE A 35 -10.367 -36.476 -21.256 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.824 -37.515 -18.822 1.00100.00 H new ATOM 0 HB3 PHE A 35 -9.143 -38.773 -19.834 1.00100.00 H new ATOM 0 HD1 PHE A 35 -9.266 -35.033 -19.594 1.00100.00 H new ATOM 0 HD2 PHE A 35 -6.945 -38.472 -20.678 1.00100.00 H new ATOM 0 HE1 PHE A 35 -7.329 -33.564 -20.058 1.00100.00 H new ATOM 0 HE2 PHE A 35 -4.980 -37.012 -21.077 1.00100.00 H new ATOM 0 HZ PHE A 35 -5.176 -34.555 -20.804 1.00100.00 H new ATOM 514 N TYR A 36 -11.462 -39.356 -22.177 1.00100.00 N ATOM 515 CA TYR A 36 -11.486 -40.241 -23.312 1.00100.00 C ATOM 516 C TYR A 36 -12.452 -39.622 -24.313 1.00100.00 C ATOM 517 O TYR A 36 -12.363 -39.923 -25.502 1.00100.00 O ATOM 518 CB TYR A 36 -12.195 -41.619 -23.197 1.00100.00 C ATOM 519 CG TYR A 36 -11.717 -42.750 -22.314 1.00100.00 C ATOM 520 CD1 TYR A 36 -10.920 -43.773 -22.829 1.00100.00 C ATOM 521 CD2 TYR A 36 -12.289 -42.936 -21.058 1.00100.00 C ATOM 522 CE1 TYR A 36 -10.505 -44.841 -22.023 1.00100.00 C ATOM 523 CE2 TYR A 36 -11.928 -44.015 -20.241 1.00100.00 C ATOM 524 CZ TYR A 36 -10.996 -44.957 -20.709 1.00100.00 C ATOM 525 OH TYR A 36 -10.618 -46.005 -19.921 1.00100.00 O ATOM 0 H TYR A 36 -12.252 -39.460 -21.541 1.00100.00 H new ATOM 0 HA TYR A 36 -10.423 -40.374 -23.515 1.00100.00 H new ATOM 0 HB2 TYR A 36 -13.220 -41.408 -22.892 1.00100.00 H new ATOM 0 HB3 TYR A 36 -12.240 -42.022 -24.209 1.00100.00 H new ATOM 0 HD1 TYR A 36 -10.618 -43.741 -23.865 1.00100.00 H new ATOM 0 HD2 TYR A 36 -13.028 -42.232 -20.706 1.00100.00 H new ATOM 0 HE1 TYR A 36 -9.811 -45.573 -22.409 1.00100.00 H new ATOM 0 HE2 TYR A 36 -12.363 -44.122 -19.258 1.00100.00 H new ATOM 0 HH TYR A 36 -11.050 -45.928 -19.045 1.00100.00 H new ATOM 535 N LEU A 37 -13.317 -38.665 -23.865 1.00100.00 N ATOM 536 CA LEU A 37 -14.393 -38.102 -24.634 1.00100.00 C ATOM 537 C LEU A 37 -14.158 -37.416 -25.918 1.00100.00 C ATOM 538 O LEU A 37 -14.867 -37.799 -26.845 1.00100.00 O ATOM 539 CB LEU A 37 -15.300 -37.182 -23.756 1.00100.00 C ATOM 540 CG LEU A 37 -16.569 -36.664 -24.436 1.00100.00 C ATOM 541 CD1 LEU A 37 -17.581 -37.786 -24.654 1.00100.00 C ATOM 542 CD2 LEU A 37 -17.195 -35.607 -23.526 1.00100.00 C ATOM 0 H LEU A 37 -13.255 -38.273 -22.925 1.00100.00 H new ATOM 0 HA LEU A 37 -14.855 -39.036 -24.953 1.00100.00 H new ATOM 0 HB2 LEU A 37 -15.588 -37.733 -22.861 1.00100.00 H new ATOM 0 HB3 LEU A 37 -14.710 -36.326 -23.428 1.00100.00 H new ATOM 0 HG LEU A 37 -16.305 -36.249 -25.409 1.00100.00 H new ATOM 0 HD11 LEU A 37 -18.471 -37.384 -25.139 1.00100.00 H new ATOM 0 HD12 LEU A 37 -17.140 -38.556 -25.286 1.00100.00 H new ATOM 0 HD13 LEU A 37 -17.856 -38.220 -23.693 1.00100.00 H new ATOM 0 HD21 LEU A 37 -18.103 -35.221 -23.988 1.00100.00 H new ATOM 0 HD22 LEU A 37 -17.440 -36.055 -22.563 1.00100.00 H new ATOM 0 HD23 LEU A 37 -16.488 -34.791 -23.377 1.00100.00 H new ATOM 554 N LEU A 38 -13.198 -36.473 -26.070 1.00100.00 N ATOM 555 CA LEU A 38 -13.100 -35.841 -27.368 1.00100.00 C ATOM 556 C LEU A 38 -12.747 -36.746 -28.502 1.00100.00 C ATOM 557 O LEU A 38 -13.371 -36.647 -29.560 1.00100.00 O ATOM 558 CB LEU A 38 -12.278 -34.541 -27.486 1.00100.00 C ATOM 559 CG LEU A 38 -12.845 -33.419 -26.615 1.00100.00 C ATOM 560 CD1 LEU A 38 -11.988 -32.170 -26.826 1.00100.00 C ATOM 561 CD2 LEU A 38 -14.291 -33.088 -26.989 1.00100.00 C ATOM 0 H LEU A 38 -12.536 -36.163 -25.359 1.00100.00 H new ATOM 0 HA LEU A 38 -14.145 -35.543 -27.459 1.00100.00 H new ATOM 0 HB2 LEU A 38 -11.246 -34.738 -27.196 1.00100.00 H new ATOM 0 HB3 LEU A 38 -12.260 -34.217 -28.527 1.00100.00 H new ATOM 0 HG LEU A 38 -12.830 -33.746 -25.575 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.375 -31.356 -26.213 1.00100.00 H new ATOM 0 HD12 LEU A 38 -10.958 -32.383 -26.539 1.00100.00 H new ATOM 0 HD13 LEU A 38 -12.019 -31.880 -27.876 1.00100.00 H new ATOM 0 HD21 LEU A 38 -14.658 -32.286 -26.348 1.00100.00 H new ATOM 0 HD22 LEU A 38 -14.333 -32.768 -28.030 1.00100.00 H new ATOM 0 HD23 LEU A 38 -14.913 -33.973 -26.856 1.00100.00 H new ATOM 573 N LYS A 39 -11.765 -37.649 -28.303 1.00100.00 N ATOM 574 CA LYS A 39 -11.398 -38.545 -29.356 1.00100.00 C ATOM 575 C LYS A 39 -11.223 -39.966 -28.956 1.00100.00 C ATOM 576 O LYS A 39 -10.504 -40.298 -28.014 1.00100.00 O ATOM 577 CB LYS A 39 -10.102 -38.176 -30.126 1.00100.00 C ATOM 578 CG LYS A 39 -10.255 -36.827 -30.822 1.00100.00 C ATOM 579 CD LYS A 39 -8.992 -36.530 -31.628 1.00100.00 C ATOM 580 CE LYS A 39 -9.150 -35.189 -32.342 1.00100.00 C ATOM 581 NZ LYS A 39 -7.954 -34.867 -33.135 1.00100.00 N ATOM 0 H LYS A 39 -11.238 -37.757 -27.436 1.00100.00 H new ATOM 0 HA LYS A 39 -12.273 -38.430 -29.996 1.00100.00 H new ATOM 0 HB2 LYS A 39 -9.260 -38.141 -29.435 1.00100.00 H new ATOM 0 HB3 LYS A 39 -9.878 -38.948 -30.863 1.00100.00 H new ATOM 0 HG2 LYS A 39 -11.125 -36.840 -31.479 1.00100.00 H new ATOM 0 HG3 LYS A 39 -10.423 -36.042 -30.085 1.00100.00 H new ATOM 0 HD2 LYS A 39 -8.124 -36.504 -30.969 1.00100.00 H new ATOM 0 HD3 LYS A 39 -8.816 -37.323 -32.355 1.00100.00 H new ATOM 0 HE2 LYS A 39 -10.024 -35.221 -32.993 1.00100.00 H new ATOM 0 HE3 LYS A 39 -9.327 -34.402 -31.609 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -8.088 -33.951 -33.609 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -7.126 -34.814 -32.508 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -7.801 -35.608 -33.849 1.00100.00 H new ATOM 595 N TYR A 40 -11.934 -40.840 -29.683 1.00100.00 N ATOM 596 CA TYR A 40 -11.809 -42.264 -29.542 1.00100.00 C ATOM 597 C TYR A 40 -11.302 -42.740 -30.907 1.00100.00 C ATOM 598 O TYR A 40 -11.094 -43.932 -31.137 1.00100.00 O ATOM 599 CB TYR A 40 -13.123 -42.947 -29.088 1.00100.00 C ATOM 600 CG TYR A 40 -13.023 -44.443 -28.899 1.00100.00 C ATOM 601 CD1 TYR A 40 -12.135 -44.969 -27.951 1.00100.00 C ATOM 602 CD2 TYR A 40 -13.826 -45.304 -29.659 1.00100.00 C ATOM 603 CE1 TYR A 40 -12.023 -46.356 -27.783 1.00100.00 C ATOM 604 CE2 TYR A 40 -13.716 -46.692 -29.507 1.00100.00 C ATOM 605 CZ TYR A 40 -12.806 -47.225 -28.571 1.00100.00 C ATOM 606 OH TYR A 40 -12.692 -48.575 -28.418 1.00100.00 O ATOM 0 H TYR A 40 -12.614 -40.556 -30.388 1.00100.00 H new ATOM 0 HA TYR A 40 -11.117 -42.538 -28.745 1.00100.00 H new ATOM 0 HB2 TYR A 40 -13.445 -42.496 -28.149 1.00100.00 H new ATOM 0 HB3 TYR A 40 -13.899 -42.738 -29.825 1.00100.00 H new ATOM 0 HD1 TYR A 40 -11.535 -44.304 -27.348 1.00100.00 H new ATOM 0 HD2 TYR A 40 -14.533 -44.895 -30.365 1.00100.00 H new ATOM 0 HE1 TYR A 40 -11.338 -46.759 -27.051 1.00100.00 H new ATOM 0 HE2 TYR A 40 -14.327 -47.352 -30.105 1.00100.00 H new ATOM 0 HH TYR A 40 -13.303 -49.027 -29.037 1.00100.00 H new ATOM 616 N ASP A 41 -11.016 -41.777 -31.827 1.00100.00 N ATOM 617 CA ASP A 41 -10.542 -41.949 -33.173 1.00100.00 C ATOM 618 C ASP A 41 -11.424 -42.790 -34.056 1.00100.00 C ATOM 619 O ASP A 41 -10.955 -43.581 -34.877 1.00100.00 O ATOM 620 CB ASP A 41 -9.046 -42.355 -33.251 1.00100.00 C ATOM 621 CG ASP A 41 -8.185 -41.367 -32.473 1.00100.00 C ATOM 622 OD1 ASP A 41 -8.229 -40.168 -32.830 1.00100.00 O ATOM 623 OD2 ASP A 41 -7.506 -41.823 -31.529 1.00100.00 O ATOM 0 H ASP A 41 -11.130 -40.790 -31.598 1.00100.00 H new ATOM 0 HA ASP A 41 -10.611 -40.949 -33.600 1.00100.00 H new ATOM 0 HB2 ASP A 41 -8.914 -43.359 -32.847 1.00100.00 H new ATOM 0 HB3 ASP A 41 -8.725 -42.385 -34.292 1.00100.00 H new ATOM 628 N GLU A 42 -12.755 -42.615 -33.892 1.00100.00 N ATOM 629 CA GLU A 42 -13.737 -43.290 -34.700 1.00100.00 C ATOM 630 C GLU A 42 -14.017 -42.424 -35.888 1.00100.00 C ATOM 631 O GLU A 42 -13.891 -41.198 -35.831 1.00100.00 O ATOM 632 CB GLU A 42 -15.106 -43.573 -34.025 1.00100.00 C ATOM 633 CG GLU A 42 -14.920 -44.532 -32.856 1.00100.00 C ATOM 634 CD GLU A 42 -14.446 -45.901 -33.332 1.00100.00 C ATOM 635 OE1 GLU A 42 -15.149 -46.478 -34.191 1.00100.00 O ATOM 636 OE2 GLU A 42 -13.392 -46.344 -32.831 1.00100.00 O ATOM 0 H GLU A 42 -13.156 -41.996 -33.188 1.00100.00 H new ATOM 0 HA GLU A 42 -13.302 -44.263 -34.927 1.00100.00 H new ATOM 0 HB2 GLU A 42 -15.548 -42.640 -33.675 1.00100.00 H new ATOM 0 HB3 GLU A 42 -15.798 -44.001 -34.751 1.00100.00 H new ATOM 0 HG2 GLU A 42 -14.196 -44.118 -32.155 1.00100.00 H new ATOM 0 HG3 GLU A 42 -15.861 -44.638 -32.317 1.00100.00 H new ATOM 706 N PRO A 46 -19.913 -41.234 -42.069 1.00100.00 N ATOM 707 CA PRO A 46 -19.578 -41.698 -43.395 1.00100.00 C ATOM 708 C PRO A 46 -20.866 -41.753 -44.171 1.00100.00 C ATOM 709 O PRO A 46 -21.570 -42.765 -44.139 1.00100.00 O ATOM 710 CB PRO A 46 -18.864 -43.038 -43.186 1.00100.00 C ATOM 711 CG PRO A 46 -19.550 -43.568 -41.925 1.00100.00 C ATOM 712 CD PRO A 46 -19.814 -42.307 -41.101 1.00100.00 C ATOM 0 HA PRO A 46 -18.908 -41.063 -43.975 1.00100.00 H new ATOM 0 HB2 PRO A 46 -18.996 -43.708 -44.035 1.00100.00 H new ATOM 0 HB3 PRO A 46 -17.791 -42.911 -43.044 1.00100.00 H new ATOM 0 HG2 PRO A 46 -20.475 -44.092 -42.163 1.00100.00 H new ATOM 0 HG3 PRO A 46 -18.914 -44.272 -41.388 1.00100.00 H new ATOM 0 HD2 PRO A 46 -20.733 -42.400 -40.522 1.00100.00 H new ATOM 0 HD3 PRO A 46 -19.007 -42.124 -40.392 1.00100.00 H new ATOM 720 N GLU A 47 -21.147 -40.649 -44.893 1.00100.00 N ATOM 721 CA GLU A 47 -22.336 -40.459 -45.671 1.00100.00 C ATOM 722 C GLU A 47 -22.477 -41.484 -46.745 1.00100.00 C ATOM 723 O GLU A 47 -23.589 -41.949 -46.990 1.00100.00 O ATOM 724 CB GLU A 47 -22.438 -39.043 -46.252 1.00100.00 C ATOM 725 CG GLU A 47 -22.440 -38.015 -45.122 1.00100.00 C ATOM 726 CD GLU A 47 -22.608 -36.603 -45.669 1.00100.00 C ATOM 727 OE1 GLU A 47 -21.697 -36.168 -46.405 1.00100.00 O ATOM 728 OE2 GLU A 47 -23.642 -35.986 -45.338 1.00100.00 O ATOM 0 H GLU A 47 -20.514 -39.851 -44.936 1.00100.00 H new ATOM 0 HA GLU A 47 -23.168 -40.588 -44.979 1.00100.00 H new ATOM 0 HB2 GLU A 47 -21.601 -38.855 -46.924 1.00100.00 H new ATOM 0 HB3 GLU A 47 -23.349 -38.948 -46.843 1.00100.00 H new ATOM 0 HG2 GLU A 47 -23.248 -38.237 -44.425 1.00100.00 H new ATOM 0 HG3 GLU A 47 -21.508 -38.083 -44.562 1.00100.00 H new ATOM 735 N GLU A 48 -21.346 -41.863 -47.387 1.00100.00 N ATOM 736 CA GLU A 48 -21.318 -42.849 -48.433 1.00100.00 C ATOM 737 C GLU A 48 -21.815 -44.174 -47.905 1.00100.00 C ATOM 738 O GLU A 48 -22.658 -44.803 -48.547 1.00100.00 O ATOM 739 CB GLU A 48 -19.884 -43.101 -48.943 1.00100.00 C ATOM 740 CG GLU A 48 -19.312 -41.834 -49.575 1.00100.00 C ATOM 741 CD GLU A 48 -17.978 -42.114 -50.255 1.00100.00 C ATOM 742 OE1 GLU A 48 -17.142 -42.794 -49.621 1.00100.00 O ATOM 743 OE2 GLU A 48 -17.817 -41.642 -51.402 1.00100.00 O ATOM 0 H GLU A 48 -20.429 -41.473 -47.172 1.00100.00 H new ATOM 0 HA GLU A 48 -21.945 -42.466 -49.238 1.00100.00 H new ATOM 0 HB2 GLU A 48 -19.249 -43.421 -48.117 1.00100.00 H new ATOM 0 HB3 GLU A 48 -19.888 -43.909 -49.674 1.00100.00 H new ATOM 0 HG2 GLU A 48 -20.019 -41.436 -50.304 1.00100.00 H new ATOM 0 HG3 GLU A 48 -19.180 -41.070 -48.809 1.00100.00 H new ATOM 750 N LEU A 49 -21.328 -44.597 -46.708 1.00100.00 N ATOM 751 CA LEU A 49 -21.725 -45.837 -46.085 1.00100.00 C ATOM 752 C LEU A 49 -23.168 -45.837 -45.680 1.00100.00 C ATOM 753 O LEU A 49 -23.851 -46.847 -45.856 1.00100.00 O ATOM 754 CB LEU A 49 -20.869 -46.232 -44.864 1.00100.00 C ATOM 755 CG LEU A 49 -19.387 -46.337 -45.236 1.00100.00 C ATOM 756 CD1 LEU A 49 -18.587 -46.696 -43.985 1.00100.00 C ATOM 757 CD2 LEU A 49 -19.153 -47.410 -46.299 1.00100.00 C ATOM 0 H LEU A 49 -20.647 -44.067 -46.165 1.00100.00 H new ATOM 0 HA LEU A 49 -21.561 -46.582 -46.864 1.00100.00 H new ATOM 0 HB2 LEU A 49 -20.996 -45.493 -44.073 1.00100.00 H new ATOM 0 HB3 LEU A 49 -21.215 -47.186 -44.467 1.00100.00 H new ATOM 0 HG LEU A 49 -19.066 -45.377 -45.641 1.00100.00 H new ATOM 0 HD11 LEU A 49 -17.530 -46.773 -44.239 1.00100.00 H new ATOM 0 HD12 LEU A 49 -18.723 -45.921 -43.231 1.00100.00 H new ATOM 0 HD13 LEU A 49 -18.936 -47.650 -43.591 1.00100.00 H new ATOM 0 HD21 LEU A 49 -18.091 -47.458 -46.540 1.00100.00 H new ATOM 0 HD22 LEU A 49 -19.483 -48.377 -45.919 1.00100.00 H new ATOM 0 HD23 LEU A 49 -19.718 -47.161 -47.197 1.00100.00 H new ATOM 769 N LEU A 50 -23.654 -44.690 -45.141 1.00100.00 N ATOM 770 CA LEU A 50 -25.018 -44.520 -44.698 1.00100.00 C ATOM 771 C LEU A 50 -25.976 -44.684 -45.844 1.00100.00 C ATOM 772 O LEU A 50 -26.987 -45.375 -45.702 1.00100.00 O ATOM 773 CB LEU A 50 -25.274 -43.122 -44.087 1.00100.00 C ATOM 774 CG LEU A 50 -24.522 -42.949 -42.764 1.00100.00 C ATOM 775 CD1 LEU A 50 -24.584 -41.486 -42.328 1.00100.00 C ATOM 776 CD2 LEU A 50 -25.139 -43.822 -41.671 1.00100.00 C ATOM 0 H LEU A 50 -23.081 -43.857 -45.010 1.00100.00 H new ATOM 0 HA LEU A 50 -25.178 -45.284 -43.937 1.00100.00 H new ATOM 0 HB2 LEU A 50 -24.959 -42.352 -44.791 1.00100.00 H new ATOM 0 HB3 LEU A 50 -26.343 -42.985 -43.921 1.00100.00 H new ATOM 0 HG LEU A 50 -23.486 -43.252 -42.915 1.00100.00 H new ATOM 0 HD11 LEU A 50 -24.049 -41.364 -41.386 1.00100.00 H new ATOM 0 HD12 LEU A 50 -24.123 -40.859 -43.091 1.00100.00 H new ATOM 0 HD13 LEU A 50 -25.624 -41.190 -42.195 1.00100.00 H new ATOM 0 HD21 LEU A 50 -24.589 -43.683 -40.740 1.00100.00 H new ATOM 0 HD22 LEU A 50 -26.181 -43.537 -41.523 1.00100.00 H new ATOM 0 HD23 LEU A 50 -25.088 -44.869 -41.970 1.00100.00 H new ATOM 805 N ASP A 52 -27.494 -45.979 -49.442 1.00100.00 N ATOM 806 CA ASP A 52 -27.554 -47.244 -50.133 1.00100.00 C ATOM 807 C ASP A 52 -26.755 -47.179 -51.398 1.00100.00 C ATOM 808 O ASP A 52 -26.833 -46.207 -52.155 1.00100.00 O ATOM 809 CB ASP A 52 -28.980 -47.702 -50.531 1.00100.00 C ATOM 810 CG ASP A 52 -29.883 -47.791 -49.307 1.00100.00 C ATOM 811 OD1 ASP A 52 -29.433 -48.396 -48.311 1.00100.00 O ATOM 812 OD2 ASP A 52 -31.006 -47.247 -49.391 1.00100.00 O ATOM 0 HA ASP A 52 -27.157 -47.963 -49.416 1.00100.00 H new ATOM 0 HB2 ASP A 52 -29.404 -47.002 -51.251 1.00100.00 H new ATOM 0 HB3 ASP A 52 -28.930 -48.673 -51.023 1.00100.00 H new ATOM 817 N GLY A 53 -25.961 -48.245 -51.629 1.00100.00 N ATOM 818 CA GLY A 53 -25.122 -48.344 -52.788 1.00100.00 C ATOM 819 C GLY A 53 -24.150 -49.473 -52.618 1.00100.00 C ATOM 820 O GLY A 53 -24.325 -50.361 -51.781 1.00100.00 O ATOM 0 H GLY A 53 -25.901 -49.048 -51.003 1.00100.00 H new ATOM 0 HA2 GLY A 53 -25.732 -48.508 -53.676 1.00100.00 H new ATOM 0 HA3 GLY A 53 -24.584 -47.408 -52.939 1.00100.00 H new ATOM 824 N GLU A 54 -23.094 -49.443 -53.458 1.00100.00 N ATOM 825 CA GLU A 54 -22.026 -50.410 -53.490 1.00100.00 C ATOM 826 C GLU A 54 -21.158 -50.288 -52.269 1.00100.00 C ATOM 827 O GLU A 54 -21.076 -49.226 -51.648 1.00100.00 O ATOM 828 CB GLU A 54 -21.119 -50.281 -54.729 1.00100.00 C ATOM 829 CG GLU A 54 -21.871 -50.362 -56.058 1.00100.00 C ATOM 830 CD GLU A 54 -22.514 -49.038 -56.463 1.00100.00 C ATOM 831 OE1 GLU A 54 -22.220 -48.018 -55.803 1.00100.00 O ATOM 832 OE2 GLU A 54 -23.282 -49.071 -57.448 1.00100.00 O ATOM 0 H GLU A 54 -22.977 -48.706 -54.153 1.00100.00 H new ATOM 0 HA GLU A 54 -22.520 -51.381 -53.525 1.00100.00 H new ATOM 0 HB2 GLU A 54 -20.588 -49.331 -54.681 1.00100.00 H new ATOM 0 HB3 GLU A 54 -20.366 -51.069 -54.700 1.00100.00 H new ATOM 0 HG2 GLU A 54 -21.181 -50.679 -56.840 1.00100.00 H new ATOM 0 HG3 GLU A 54 -22.644 -51.127 -55.986 1.00100.00 H new ATOM 839 N ASP A 55 -20.500 -51.412 -51.904 1.00100.00 N ATOM 840 CA ASP A 55 -19.644 -51.510 -50.747 1.00100.00 C ATOM 841 C ASP A 55 -18.460 -50.594 -50.808 1.00100.00 C ATOM 842 O ASP A 55 -18.147 -49.945 -49.808 1.00100.00 O ATOM 843 CB ASP A 55 -19.106 -52.943 -50.528 1.00100.00 C ATOM 844 CG ASP A 55 -20.246 -53.941 -50.356 1.00100.00 C ATOM 845 OD1 ASP A 55 -21.261 -53.550 -49.739 1.00100.00 O ATOM 846 OD2 ASP A 55 -20.081 -55.080 -50.844 1.00100.00 O ATOM 0 H ASP A 55 -20.565 -52.283 -52.431 1.00100.00 H new ATOM 0 HA ASP A 55 -20.288 -51.217 -49.918 1.00100.00 H new ATOM 0 HB2 ASP A 55 -18.488 -53.236 -51.377 1.00100.00 H new ATOM 0 HB3 ASP A 55 -18.466 -52.963 -49.646 1.00100.00 H new ATOM 851 N ASP A 56 -17.796 -50.512 -51.985 1.00100.00 N ATOM 852 CA ASP A 56 -16.643 -49.667 -52.165 1.00100.00 C ATOM 853 C ASP A 56 -16.839 -48.786 -53.360 1.00100.00 C ATOM 854 O ASP A 56 -17.647 -49.065 -54.248 1.00100.00 O ATOM 855 CB ASP A 56 -15.299 -50.427 -52.324 1.00100.00 C ATOM 856 CG ASP A 56 -14.975 -51.199 -51.051 1.00100.00 C ATOM 857 OD1 ASP A 56 -14.769 -50.526 -50.018 1.00100.00 O ATOM 858 OD2 ASP A 56 -14.945 -52.446 -51.132 1.00100.00 O ATOM 0 H ASP A 56 -18.061 -51.036 -52.819 1.00100.00 H new ATOM 0 HA ASP A 56 -16.566 -49.088 -51.245 1.00100.00 H new ATOM 0 HB2 ASP A 56 -15.359 -51.114 -53.169 1.00100.00 H new ATOM 0 HB3 ASP A 56 -14.498 -49.721 -52.543 1.00100.00 H new ATOM 863 N VAL A 57 -16.083 -47.668 -53.371 1.00100.00 N ATOM 864 CA VAL A 57 -16.073 -46.639 -54.383 1.00100.00 C ATOM 865 C VAL A 57 -15.622 -47.216 -55.704 1.00100.00 C ATOM 866 O VAL A 57 -16.168 -46.877 -56.756 1.00100.00 O ATOM 867 CB VAL A 57 -15.185 -45.474 -53.940 1.00100.00 C ATOM 868 CG1 VAL A 57 -15.086 -44.423 -55.046 1.00100.00 C ATOM 869 CG2 VAL A 57 -15.763 -44.829 -52.680 1.00100.00 C ATOM 0 H VAL A 57 -15.428 -47.465 -52.616 1.00100.00 H new ATOM 0 HA VAL A 57 -17.083 -46.252 -54.517 1.00100.00 H new ATOM 0 HB VAL A 57 -14.188 -45.862 -53.729 1.00100.00 H new ATOM 0 HG11 VAL A 57 -14.451 -43.603 -54.712 1.00100.00 H new ATOM 0 HG12 VAL A 57 -14.656 -44.875 -55.940 1.00100.00 H new ATOM 0 HG13 VAL A 57 -16.081 -44.041 -55.275 1.00100.00 H new ATOM 0 HG21 VAL A 57 -15.126 -44.001 -52.370 1.00100.00 H new ATOM 0 HG22 VAL A 57 -16.766 -44.457 -52.889 1.00100.00 H new ATOM 0 HG23 VAL A 57 -15.810 -45.569 -51.881 1.00100.00 H new ATOM 879 N PHE A 58 -14.620 -48.117 -55.659 1.00100.00 N ATOM 880 CA PHE A 58 -14.070 -48.727 -56.835 1.00100.00 C ATOM 881 C PHE A 58 -14.894 -49.872 -57.365 1.00100.00 C ATOM 882 O PHE A 58 -14.636 -50.320 -58.483 1.00100.00 O ATOM 883 CB PHE A 58 -12.617 -49.187 -56.595 1.00100.00 C ATOM 884 CG PHE A 58 -11.738 -48.055 -56.120 1.00100.00 C ATOM 885 CD1 PHE A 58 -11.623 -47.787 -54.749 1.00100.00 C ATOM 886 CD2 PHE A 58 -11.069 -47.250 -57.051 1.00100.00 C ATOM 887 CE1 PHE A 58 -10.838 -46.713 -54.309 1.00100.00 C ATOM 888 CE2 PHE A 58 -10.281 -46.179 -56.610 1.00100.00 C ATOM 889 CZ PHE A 58 -10.166 -45.909 -55.239 1.00100.00 C ATOM 0 H PHE A 58 -14.184 -48.428 -54.791 1.00100.00 H new ATOM 0 HA PHE A 58 -14.084 -47.951 -57.600 1.00100.00 H new ATOM 0 HB2 PHE A 58 -12.607 -49.988 -55.856 1.00100.00 H new ATOM 0 HB3 PHE A 58 -12.210 -49.600 -57.518 1.00100.00 H new ATOM 0 HD1 PHE A 58 -12.139 -48.408 -54.032 1.00100.00 H new ATOM 0 HD2 PHE A 58 -11.161 -47.455 -58.107 1.00100.00 H new ATOM 0 HE1 PHE A 58 -10.751 -46.505 -53.253 1.00100.00 H new ATOM 0 HE2 PHE A 58 -9.761 -45.561 -57.327 1.00100.00 H new ATOM 0 HZ PHE A 58 -9.560 -45.082 -54.900 1.00100.00 H new ATOM 899 N ASP A 59 -15.901 -50.364 -56.592 1.00100.00 N ATOM 900 CA ASP A 59 -16.745 -51.456 -57.021 1.00100.00 C ATOM 901 C ASP A 59 -17.563 -51.169 -58.268 1.00100.00 C ATOM 902 O ASP A 59 -17.533 -52.025 -59.154 1.00100.00 O ATOM 903 CB ASP A 59 -17.692 -51.994 -55.915 1.00100.00 C ATOM 904 CG ASP A 59 -16.922 -52.674 -54.790 1.00100.00 C ATOM 905 OD1 ASP A 59 -15.744 -53.023 -55.023 1.00100.00 O ATOM 906 OD2 ASP A 59 -17.536 -52.845 -53.716 1.00100.00 O ATOM 0 H ASP A 59 -16.129 -50.002 -55.666 1.00100.00 H new ATOM 0 HA ASP A 59 -16.015 -52.228 -57.264 1.00100.00 H new ATOM 0 HB2 ASP A 59 -18.279 -51.171 -55.507 1.00100.00 H new ATOM 0 HB3 ASP A 59 -18.396 -52.702 -56.353 1.00100.00 H new