USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 473 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 29 GLN : amide:sc=-0.00635 X(o=-0.15,f=-0.31) USER MOD Set 1.2: A 30 SER OG : rot 180:sc= -0.142 USER MOD Set 2.1: A 17 HIS :FLIP no HE2:sc= 0.0907 F(o=-0.57,f=0.091) USER MOD Set 2.2: A 62 TYR OH : rot 165:sc= 0 USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 14 CYS SG : rot -1:sc= 0.612! USER MOD Set 4.1: A 3 HIS : no HD1:sc= -0.0164 K(o=-0.072,f=-0.76) USER MOD Set 4.2: A 41 GLN : amide:sc= -0.0556 K(o=-0.072,f=-2.3) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 176:sc= -0.572 USER MOD Single : A 9 MET CE :methyl 171:sc= -0.267 (180deg=-0.472) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.483 USER MOD Single : A 13 SER OG : rot 67:sc= 0.731 USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= 1.21 (180deg=1.02) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -140:sc= -0.288 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 49 SER OG : rot 180:sc= -0.218 USER MOD Single : A 54 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -1.344 0.143 -2.455 1.00 0.00 N ATOM 35 CA HIS A 3 -2.631 0.816 -2.615 1.00 0.00 C ATOM 36 C HIS A 3 -2.455 2.290 -2.979 1.00 0.00 C ATOM 37 O HIS A 3 -1.338 2.759 -3.208 1.00 0.00 O ATOM 38 CB HIS A 3 -3.471 0.677 -1.336 1.00 0.00 C ATOM 39 CG HIS A 3 -2.969 1.474 -0.166 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.529 2.670 0.227 1.00 0.00 N ATOM 41 CD2 HIS A 3 -1.959 1.233 0.699 1.00 0.00 C ATOM 42 CE1 HIS A 3 -2.881 3.130 1.281 1.00 0.00 C ATOM 43 NE2 HIS A 3 -1.922 2.278 1.591 1.00 0.00 N ATOM 0 HA HIS A 3 -3.157 0.332 -3.438 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.494 0.983 -1.554 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.506 -0.375 -1.053 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.301 0.376 0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.099 4.050 1.803 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -1.263 2.378 2.363 1.00 0.00 H new ATOM 52 N LEU A 4 -3.565 3.019 -3.029 1.00 0.00 N ATOM 53 CA LEU A 4 -3.535 4.427 -3.384 1.00 0.00 C ATOM 54 C LEU A 4 -4.585 5.193 -2.594 1.00 0.00 C ATOM 55 O LEU A 4 -5.393 4.600 -1.874 1.00 0.00 O ATOM 56 CB LEU A 4 -3.770 4.610 -4.892 1.00 0.00 C ATOM 57 CG LEU A 4 -4.587 3.508 -5.573 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.792 4.102 -6.287 1.00 0.00 C ATOM 59 CD2 LEU A 4 -3.718 2.725 -6.548 1.00 0.00 C ATOM 0 H LEU A 4 -4.496 2.654 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.550 4.822 -3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.276 5.563 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.801 4.678 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.947 2.821 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.361 3.305 -6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.425 4.617 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.454 4.810 -7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.315 1.946 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.329 3.399 -7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.888 2.268 -6.009 1.00 0.00 H new ATOM 71 N LYS A 5 -4.552 6.506 -2.716 1.00 0.00 N ATOM 72 CA LYS A 5 -5.554 7.361 -2.114 1.00 0.00 C ATOM 73 C LYS A 5 -6.430 7.950 -3.206 1.00 0.00 C ATOM 74 O LYS A 5 -5.961 8.209 -4.316 1.00 0.00 O ATOM 75 CB LYS A 5 -4.891 8.473 -1.303 1.00 0.00 C ATOM 76 CG LYS A 5 -4.906 8.218 0.195 1.00 0.00 C ATOM 77 CD LYS A 5 -5.749 9.247 0.925 1.00 0.00 C ATOM 78 CE LYS A 5 -5.063 10.603 0.960 1.00 0.00 C ATOM 79 NZ LYS A 5 -4.065 10.696 2.059 1.00 0.00 N ATOM 0 H LYS A 5 -3.831 7.008 -3.234 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.171 6.771 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.859 8.588 -1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.399 9.415 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.297 7.220 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.886 8.242 0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.718 9.340 0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.939 8.907 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.569 10.784 0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.812 11.385 1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.621 11.636 2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.540 10.550 2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.335 9.967 1.928 1.00 0.00 H new ATOM 93 N ILE A 6 -7.691 8.161 -2.900 1.00 0.00 N ATOM 94 CA ILE A 6 -8.637 8.624 -3.895 1.00 0.00 C ATOM 95 C ILE A 6 -9.028 10.075 -3.628 1.00 0.00 C ATOM 96 O ILE A 6 -8.919 10.559 -2.500 1.00 0.00 O ATOM 97 CB ILE A 6 -9.882 7.703 -3.936 1.00 0.00 C ATOM 98 CG1 ILE A 6 -10.310 7.459 -5.383 1.00 0.00 C ATOM 99 CG2 ILE A 6 -11.035 8.272 -3.122 1.00 0.00 C ATOM 100 CD1 ILE A 6 -9.446 6.449 -6.101 1.00 0.00 C ATOM 0 H ILE A 6 -8.087 8.020 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.160 8.581 -4.874 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.607 6.751 -3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.344 7.116 -5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.281 8.403 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.888 7.596 -3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.727 8.383 -2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -11.317 9.246 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.805 6.324 -7.122 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.414 6.800 -6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.494 5.493 -5.580 1.00 0.00 H new ATOM 112 N THR A 7 -9.458 10.772 -4.669 1.00 0.00 N ATOM 113 CA THR A 7 -9.816 12.174 -4.547 1.00 0.00 C ATOM 114 C THR A 7 -11.097 12.468 -5.318 1.00 0.00 C ATOM 115 O THR A 7 -11.114 12.485 -6.548 1.00 0.00 O ATOM 116 CB THR A 7 -8.679 13.078 -5.055 1.00 0.00 C ATOM 117 OG1 THR A 7 -7.567 12.264 -5.461 1.00 0.00 O ATOM 118 CG2 THR A 7 -8.235 14.054 -3.975 1.00 0.00 C ATOM 0 H THR A 7 -9.567 10.388 -5.608 1.00 0.00 H new ATOM 0 HA THR A 7 -9.982 12.386 -3.491 1.00 0.00 H new ATOM 0 HB THR A 7 -9.046 13.654 -5.905 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.868 12.833 -5.845 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.431 14.681 -4.360 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.077 14.682 -3.684 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.879 13.499 -3.107 1.00 0.00 H new ATOM 126 N GLY A 8 -12.173 12.664 -4.579 1.00 0.00 N ATOM 127 CA GLY A 8 -13.459 12.932 -5.184 1.00 0.00 C ATOM 128 C GLY A 8 -14.542 12.099 -4.542 1.00 0.00 C ATOM 129 O GLY A 8 -15.696 12.520 -4.438 1.00 0.00 O ATOM 0 H GLY A 8 -12.179 12.642 -3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.700 13.990 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.415 12.717 -6.252 1.00 0.00 H new ATOM 133 N MET A 9 -14.154 10.911 -4.101 1.00 0.00 N ATOM 134 CA MET A 9 -15.063 9.993 -3.434 1.00 0.00 C ATOM 135 C MET A 9 -15.271 10.444 -1.997 1.00 0.00 C ATOM 136 O MET A 9 -14.308 10.623 -1.255 1.00 0.00 O ATOM 137 CB MET A 9 -14.493 8.577 -3.472 1.00 0.00 C ATOM 138 CG MET A 9 -14.487 7.951 -4.861 1.00 0.00 C ATOM 139 SD MET A 9 -13.349 8.754 -6.008 1.00 0.00 S ATOM 140 CE MET A 9 -14.501 9.475 -7.174 1.00 0.00 C ATOM 0 H MET A 9 -13.202 10.558 -4.196 1.00 0.00 H new ATOM 0 HA MET A 9 -16.024 9.992 -3.949 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.473 8.596 -3.088 1.00 0.00 H new ATOM 0 HB3 MET A 9 -15.074 7.944 -2.801 1.00 0.00 H new ATOM 0 HG2 MET A 9 -14.220 6.898 -4.775 1.00 0.00 H new ATOM 0 HG3 MET A 9 -15.495 7.992 -5.274 1.00 0.00 H new ATOM 0 HE1 MET A 9 -13.964 10.137 -7.853 1.00 0.00 H new ATOM 0 HE2 MET A 9 -14.984 8.683 -7.746 1.00 0.00 H new ATOM 0 HE3 MET A 9 -15.257 10.045 -6.634 1.00 0.00 H new ATOM 150 N THR A 10 -16.522 10.635 -1.606 1.00 0.00 N ATOM 151 CA THR A 10 -16.805 11.312 -0.354 1.00 0.00 C ATOM 152 C THR A 10 -17.665 10.503 0.610 1.00 0.00 C ATOM 153 O THR A 10 -17.820 10.906 1.765 1.00 0.00 O ATOM 154 CB THR A 10 -17.518 12.641 -0.634 1.00 0.00 C ATOM 155 OG1 THR A 10 -17.824 12.732 -2.036 1.00 0.00 O ATOM 156 CG2 THR A 10 -16.657 13.823 -0.216 1.00 0.00 C ATOM 0 H THR A 10 -17.344 10.335 -2.130 1.00 0.00 H new ATOM 0 HA THR A 10 -15.838 11.464 0.125 1.00 0.00 H new ATOM 0 HB THR A 10 -18.439 12.670 -0.051 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.281 13.580 -2.217 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.187 14.752 -0.426 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.445 13.759 0.851 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.720 13.806 -0.773 1.00 0.00 H new ATOM 164 N CYS A 11 -18.199 9.356 0.183 1.00 0.00 N ATOM 165 CA CYS A 11 -19.203 8.672 1.009 1.00 0.00 C ATOM 166 C CYS A 11 -19.731 7.380 0.397 1.00 0.00 C ATOM 167 O CYS A 11 -19.754 6.348 1.068 1.00 0.00 O ATOM 168 CB CYS A 11 -20.389 9.612 1.254 1.00 0.00 C ATOM 169 SG CYS A 11 -20.799 10.674 -0.164 1.00 0.00 S ATOM 0 H CYS A 11 -17.966 8.893 -0.696 1.00 0.00 H new ATOM 0 HA CYS A 11 -18.699 8.405 1.938 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -21.264 9.016 1.513 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -20.167 10.243 2.115 1.00 0.00 H new ATOM 0 HG CYS A 11 -21.813 11.429 0.138 1.00 0.00 H new ATOM 174 N ASP A 12 -20.190 7.431 -0.842 1.00 0.00 N ATOM 175 CA ASP A 12 -20.725 6.244 -1.500 1.00 0.00 C ATOM 176 C ASP A 12 -21.061 6.578 -2.955 1.00 0.00 C ATOM 177 O ASP A 12 -21.073 7.753 -3.318 1.00 0.00 O ATOM 178 CB ASP A 12 -21.970 5.741 -0.737 1.00 0.00 C ATOM 179 CG ASP A 12 -22.994 5.045 -1.611 1.00 0.00 C ATOM 180 OD1 ASP A 12 -22.741 3.898 -2.026 1.00 0.00 O ATOM 181 OD2 ASP A 12 -24.057 5.639 -1.879 1.00 0.00 O ATOM 0 H ASP A 12 -20.204 8.276 -1.413 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.981 5.447 -1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.650 5.054 0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.446 6.588 -0.242 1.00 0.00 H new ATOM 186 N SER A 13 -21.299 5.550 -3.774 1.00 0.00 N ATOM 187 CA SER A 13 -21.672 5.712 -5.185 1.00 0.00 C ATOM 188 C SER A 13 -20.478 6.156 -6.033 1.00 0.00 C ATOM 189 O SER A 13 -20.070 5.448 -6.954 1.00 0.00 O ATOM 190 CB SER A 13 -22.848 6.682 -5.336 1.00 0.00 C ATOM 191 OG SER A 13 -23.992 6.207 -4.639 1.00 0.00 O ATOM 0 H SER A 13 -21.238 4.576 -3.477 1.00 0.00 H new ATOM 0 HA SER A 13 -21.991 4.738 -5.554 1.00 0.00 H new ATOM 0 HB2 SER A 13 -22.566 7.663 -4.954 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.087 6.808 -6.392 1.00 0.00 H new ATOM 0 HG SER A 13 -23.816 6.219 -3.675 1.00 0.00 H new ATOM 197 N CYS A 14 -19.914 7.321 -5.729 1.00 0.00 N ATOM 198 CA CYS A 14 -18.694 7.751 -6.391 1.00 0.00 C ATOM 199 C CYS A 14 -17.593 6.745 -6.081 1.00 0.00 C ATOM 200 O CYS A 14 -16.886 6.274 -6.972 1.00 0.00 O ATOM 201 CB CYS A 14 -18.286 9.161 -5.939 1.00 0.00 C ATOM 202 SG CYS A 14 -18.949 9.656 -4.326 1.00 0.00 S ATOM 0 H CYS A 14 -20.279 7.975 -5.037 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.862 7.794 -7.467 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.198 9.216 -5.903 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.617 9.879 -6.689 1.00 0.00 H new ATOM 0 HG CYS A 14 -19.694 8.702 -3.852 1.00 0.00 H new ATOM 207 N ALA A 15 -17.478 6.401 -4.803 1.00 0.00 N ATOM 208 CA ALA A 15 -16.572 5.350 -4.361 1.00 0.00 C ATOM 209 C ALA A 15 -17.165 3.973 -4.652 1.00 0.00 C ATOM 210 O ALA A 15 -17.317 3.147 -3.756 1.00 0.00 O ATOM 211 CB ALA A 15 -16.267 5.505 -2.882 1.00 0.00 C ATOM 0 H ALA A 15 -18.007 6.840 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.638 5.440 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.589 4.713 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.800 6.474 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.193 5.440 -2.311 1.00 0.00 H new ATOM 217 N ALA A 16 -17.494 3.743 -5.912 1.00 0.00 N ATOM 218 CA ALA A 16 -18.097 2.492 -6.343 1.00 0.00 C ATOM 219 C ALA A 16 -17.968 2.361 -7.849 1.00 0.00 C ATOM 220 O ALA A 16 -17.604 1.304 -8.357 1.00 0.00 O ATOM 221 CB ALA A 16 -19.559 2.419 -5.922 1.00 0.00 C ATOM 0 H ALA A 16 -17.351 4.417 -6.664 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.573 1.665 -5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.987 1.474 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.629 2.485 -4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.109 3.246 -6.372 1.00 0.00 H new ATOM 227 N HIS A 17 -18.252 3.452 -8.559 1.00 0.00 N ATOM 228 CA HIS A 17 -17.998 3.513 -9.998 1.00 0.00 C ATOM 229 C HIS A 17 -16.513 3.275 -10.259 1.00 0.00 C ATOM 230 O HIS A 17 -16.127 2.548 -11.182 1.00 0.00 O ATOM 231 CB HIS A 17 -18.428 4.873 -10.564 1.00 0.00 C ATOM 232 CG HIS A 17 -18.584 4.893 -12.059 1.00 0.00 C ATOM 233 ND1 HIS A 17 -17.943 4.196 -13.027 1.00 0.00 N flip ATOM 234 CD2 HIS A 17 -19.482 5.707 -12.715 1.00 0.00 C flip ATOM 235 CE1 HIS A 17 -18.458 4.595 -14.233 1.00 0.00 C flip ATOM 236 NE2 HIS A 17 -19.385 5.509 -14.016 1.00 0.00 N flip ATOM 0 H HIS A 17 -18.656 4.301 -8.164 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.581 2.739 -10.497 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.374 5.162 -10.107 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -17.692 5.624 -10.276 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -17.210 3.501 -12.885 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -20.160 6.399 -12.238 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -18.155 4.223 -15.201 1.00 0.00 H new ATOM 245 N VAL A 18 -15.691 3.882 -9.414 1.00 0.00 N ATOM 246 CA VAL A 18 -14.246 3.726 -9.483 1.00 0.00 C ATOM 247 C VAL A 18 -13.865 2.267 -9.279 1.00 0.00 C ATOM 248 O VAL A 18 -13.089 1.705 -10.044 1.00 0.00 O ATOM 249 CB VAL A 18 -13.538 4.589 -8.416 1.00 0.00 C ATOM 250 CG1 VAL A 18 -12.028 4.445 -8.513 1.00 0.00 C ATOM 251 CG2 VAL A 18 -13.944 6.046 -8.553 1.00 0.00 C ATOM 0 H VAL A 18 -16.007 4.495 -8.663 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.924 4.057 -10.470 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.849 4.234 -7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.554 5.063 -7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.751 3.402 -8.358 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.694 4.766 -9.500 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.435 6.639 -7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.666 6.410 -9.542 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.022 6.137 -8.422 1.00 0.00 H new ATOM 261 N LYS A 19 -14.446 1.656 -8.256 1.00 0.00 N ATOM 262 CA LYS A 19 -14.173 0.264 -7.938 1.00 0.00 C ATOM 263 C LYS A 19 -14.661 -0.647 -9.058 1.00 0.00 C ATOM 264 O LYS A 19 -14.043 -1.664 -9.343 1.00 0.00 O ATOM 265 CB LYS A 19 -14.847 -0.123 -6.621 1.00 0.00 C ATOM 266 CG LYS A 19 -14.192 -1.306 -5.924 1.00 0.00 C ATOM 267 CD LYS A 19 -15.126 -2.504 -5.861 1.00 0.00 C ATOM 268 CE LYS A 19 -15.074 -3.183 -4.500 1.00 0.00 C ATOM 269 NZ LYS A 19 -15.309 -4.649 -4.597 1.00 0.00 N ATOM 0 H LYS A 19 -15.113 2.107 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 19 -13.095 0.143 -7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.834 0.736 -5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.893 -0.360 -6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.280 -1.582 -6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.900 -1.018 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.146 -2.182 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.853 -3.220 -6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.102 -3.002 -4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.823 -2.739 -3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.467 -5.039 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.146 -4.828 -5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.479 -5.106 -5.025 1.00 0.00 H new ATOM 283 N GLU A 20 -15.772 -0.278 -9.684 1.00 0.00 N ATOM 284 CA GLU A 20 -16.297 -1.044 -10.808 1.00 0.00 C ATOM 285 C GLU A 20 -15.305 -1.020 -11.967 1.00 0.00 C ATOM 286 O GLU A 20 -14.914 -2.068 -12.490 1.00 0.00 O ATOM 287 CB GLU A 20 -17.647 -0.484 -11.263 1.00 0.00 C ATOM 288 CG GLU A 20 -18.469 -1.468 -12.081 1.00 0.00 C ATOM 289 CD GLU A 20 -18.967 -0.877 -13.387 1.00 0.00 C ATOM 290 OE1 GLU A 20 -18.662 0.300 -13.672 1.00 0.00 O ATOM 291 OE2 GLU A 20 -19.674 -1.588 -14.135 1.00 0.00 O ATOM 0 H GLU A 20 -16.324 0.542 -9.434 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.443 -2.074 -10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -18.221 -0.185 -10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.477 0.415 -11.855 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.865 -2.350 -12.294 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.322 -1.801 -11.490 1.00 0.00 H new ATOM 298 N ALA A 21 -14.886 0.183 -12.347 1.00 0.00 N ATOM 299 CA ALA A 21 -13.920 0.346 -13.426 1.00 0.00 C ATOM 300 C ALA A 21 -12.607 -0.353 -13.084 1.00 0.00 C ATOM 301 O ALA A 21 -11.992 -0.996 -13.935 1.00 0.00 O ATOM 302 CB ALA A 21 -13.678 1.823 -13.702 1.00 0.00 C ATOM 0 H ALA A 21 -15.200 1.057 -11.925 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.329 -0.114 -14.325 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.954 1.928 -14.510 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.616 2.298 -13.991 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.290 2.302 -12.803 1.00 0.00 H new ATOM 308 N LEU A 22 -12.198 -0.227 -11.828 1.00 0.00 N ATOM 309 CA LEU A 22 -10.972 -0.843 -11.336 1.00 0.00 C ATOM 310 C LEU A 22 -11.065 -2.366 -11.355 1.00 0.00 C ATOM 311 O LEU A 22 -10.168 -3.041 -11.850 1.00 0.00 O ATOM 312 CB LEU A 22 -10.673 -0.347 -9.918 1.00 0.00 C ATOM 313 CG LEU A 22 -10.047 1.050 -9.843 1.00 0.00 C ATOM 314 CD1 LEU A 22 -9.609 1.367 -8.423 1.00 0.00 C ATOM 315 CD2 LEU A 22 -8.871 1.173 -10.803 1.00 0.00 C ATOM 0 H LEU A 22 -12.707 0.305 -11.122 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.157 -0.553 -12.000 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.601 -0.345 -9.346 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.002 -1.057 -9.434 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.806 1.774 -10.140 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.167 2.363 -8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.473 1.332 -7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.872 0.633 -8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.445 2.174 -10.730 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.111 0.435 -10.544 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.214 0.998 -11.823 1.00 0.00 H new ATOM 327 N GLU A 23 -12.159 -2.903 -10.826 1.00 0.00 N ATOM 328 CA GLU A 23 -12.340 -4.349 -10.742 1.00 0.00 C ATOM 329 C GLU A 23 -12.691 -4.947 -12.102 1.00 0.00 C ATOM 330 O GLU A 23 -12.686 -6.167 -12.274 1.00 0.00 O ATOM 331 CB GLU A 23 -13.409 -4.704 -9.710 1.00 0.00 C ATOM 332 CG GLU A 23 -12.856 -4.773 -8.296 1.00 0.00 C ATOM 333 CD GLU A 23 -13.704 -5.609 -7.361 1.00 0.00 C ATOM 334 OE1 GLU A 23 -14.681 -6.224 -7.837 1.00 0.00 O ATOM 335 OE2 GLU A 23 -13.405 -5.663 -6.149 1.00 0.00 O ATOM 0 H GLU A 23 -12.935 -2.359 -10.448 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.392 -4.780 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.207 -3.962 -9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.854 -5.664 -9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.848 -5.186 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.774 -3.763 -7.896 1.00 0.00 H new ATOM 342 N LYS A 24 -13.004 -4.087 -13.065 1.00 0.00 N ATOM 343 CA LYS A 24 -13.191 -4.530 -14.437 1.00 0.00 C ATOM 344 C LYS A 24 -11.840 -4.873 -15.058 1.00 0.00 C ATOM 345 O LYS A 24 -11.755 -5.689 -15.977 1.00 0.00 O ATOM 346 CB LYS A 24 -13.890 -3.443 -15.256 1.00 0.00 C ATOM 347 CG LYS A 24 -14.603 -3.968 -16.495 1.00 0.00 C ATOM 348 CD LYS A 24 -16.044 -3.484 -16.558 1.00 0.00 C ATOM 349 CE LYS A 24 -16.128 -2.010 -16.917 1.00 0.00 C ATOM 350 NZ LYS A 24 -16.009 -1.783 -18.383 1.00 0.00 N ATOM 0 H LYS A 24 -13.132 -3.086 -12.920 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.819 -5.421 -14.439 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.614 -2.932 -14.621 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.153 -2.700 -15.560 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.070 -3.642 -17.388 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.584 -5.058 -16.492 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.592 -4.070 -17.296 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.526 -3.652 -15.595 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.076 -1.605 -16.564 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.337 -1.466 -16.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.072 -0.764 -18.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.093 -2.146 -18.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.779 -2.280 -18.875 1.00 0.00 H new ATOM 364 N VAL A 25 -10.790 -4.254 -14.531 1.00 0.00 N ATOM 365 CA VAL A 25 -9.432 -4.511 -14.986 1.00 0.00 C ATOM 366 C VAL A 25 -8.890 -5.779 -14.333 1.00 0.00 C ATOM 367 O VAL A 25 -8.915 -5.914 -13.109 1.00 0.00 O ATOM 368 CB VAL A 25 -8.493 -3.328 -14.658 1.00 0.00 C ATOM 369 CG1 VAL A 25 -7.125 -3.528 -15.289 1.00 0.00 C ATOM 370 CG2 VAL A 25 -9.101 -2.009 -15.115 1.00 0.00 C ATOM 0 H VAL A 25 -10.856 -3.565 -13.782 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.465 -4.637 -16.068 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.369 -3.292 -13.576 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.484 -2.682 -15.043 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.678 -4.445 -14.906 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.231 -3.600 -16.371 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.421 -1.192 -14.873 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.265 -2.038 -16.192 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.053 -1.852 -14.607 1.00 0.00 H new ATOM 380 N PRO A 26 -8.426 -6.742 -15.141 1.00 0.00 N ATOM 381 CA PRO A 26 -7.856 -7.993 -14.634 1.00 0.00 C ATOM 382 C PRO A 26 -6.558 -7.763 -13.863 1.00 0.00 C ATOM 383 O PRO A 26 -5.735 -6.926 -14.239 1.00 0.00 O ATOM 384 CB PRO A 26 -7.593 -8.821 -15.901 1.00 0.00 C ATOM 385 CG PRO A 26 -8.378 -8.151 -16.978 1.00 0.00 C ATOM 386 CD PRO A 26 -8.427 -6.699 -16.608 1.00 0.00 C ATOM 0 HA PRO A 26 -8.525 -8.486 -13.929 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.531 -8.842 -16.144 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.910 -9.855 -15.768 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.905 -8.291 -17.950 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.382 -8.570 -17.048 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.569 -6.152 -16.998 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.320 -6.211 -16.999 1.00 0.00 H new ATOM 394 N GLY A 27 -6.385 -8.508 -12.783 1.00 0.00 N ATOM 395 CA GLY A 27 -5.214 -8.344 -11.948 1.00 0.00 C ATOM 396 C GLY A 27 -5.588 -7.879 -10.559 1.00 0.00 C ATOM 397 O GLY A 27 -4.725 -7.584 -9.733 1.00 0.00 O ATOM 0 H GLY A 27 -7.037 -9.226 -12.469 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.675 -9.290 -11.884 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.537 -7.622 -12.405 1.00 0.00 H new ATOM 401 N VAL A 28 -6.885 -7.814 -10.309 1.00 0.00 N ATOM 402 CA VAL A 28 -7.406 -7.398 -9.020 1.00 0.00 C ATOM 403 C VAL A 28 -7.699 -8.621 -8.151 1.00 0.00 C ATOM 404 O VAL A 28 -8.052 -9.686 -8.663 1.00 0.00 O ATOM 405 CB VAL A 28 -8.689 -6.549 -9.193 1.00 0.00 C ATOM 406 CG1 VAL A 28 -9.306 -6.177 -7.849 1.00 0.00 C ATOM 407 CG2 VAL A 28 -8.392 -5.298 -10.005 1.00 0.00 C ATOM 0 H VAL A 28 -7.604 -8.048 -10.993 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.652 -6.784 -8.528 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.416 -7.157 -9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.204 -5.582 -8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.567 -7.085 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.589 -5.598 -7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.304 -4.712 -10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.638 -4.701 -9.491 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.020 -5.583 -10.989 1.00 0.00 H new ATOM 417 N GLN A 29 -7.545 -8.466 -6.843 1.00 0.00 N ATOM 418 CA GLN A 29 -7.814 -9.546 -5.903 1.00 0.00 C ATOM 419 C GLN A 29 -8.680 -9.031 -4.758 1.00 0.00 C ATOM 420 O GLN A 29 -9.579 -9.724 -4.284 1.00 0.00 O ATOM 421 CB GLN A 29 -6.499 -10.124 -5.368 1.00 0.00 C ATOM 422 CG GLN A 29 -6.672 -11.078 -4.198 1.00 0.00 C ATOM 423 CD GLN A 29 -5.458 -11.108 -3.293 1.00 0.00 C ATOM 424 OE1 GLN A 29 -5.050 -10.087 -2.738 1.00 0.00 O ATOM 425 NE2 GLN A 29 -4.873 -12.282 -3.141 1.00 0.00 N ATOM 0 H GLN A 29 -7.234 -7.598 -6.407 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.352 -10.342 -6.418 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.988 -10.647 -6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.852 -9.303 -5.061 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.547 -10.783 -3.618 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.864 -12.082 -4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.244 -13.103 -3.620 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.050 -12.368 -2.545 1.00 0.00 H new ATOM 434 N SER A 30 -8.421 -7.804 -4.333 1.00 0.00 N ATOM 435 CA SER A 30 -9.249 -7.157 -3.326 1.00 0.00 C ATOM 436 C SER A 30 -9.196 -5.644 -3.492 1.00 0.00 C ATOM 437 O SER A 30 -8.121 -5.056 -3.573 1.00 0.00 O ATOM 438 CB SER A 30 -8.799 -7.542 -1.911 1.00 0.00 C ATOM 439 OG SER A 30 -7.995 -8.714 -1.916 1.00 0.00 O ATOM 0 H SER A 30 -7.644 -7.236 -4.670 1.00 0.00 H new ATOM 0 HA SER A 30 -10.275 -7.498 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.238 -6.718 -1.471 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.674 -7.704 -1.282 1.00 0.00 H new ATOM 0 HG SER A 30 -7.725 -8.929 -0.999 1.00 0.00 H new ATOM 445 N ALA A 31 -10.362 -5.027 -3.575 1.00 0.00 N ATOM 446 CA ALA A 31 -10.457 -3.582 -3.705 1.00 0.00 C ATOM 447 C ALA A 31 -11.278 -2.997 -2.565 1.00 0.00 C ATOM 448 O ALA A 31 -12.478 -2.752 -2.704 1.00 0.00 O ATOM 449 CB ALA A 31 -11.062 -3.212 -5.051 1.00 0.00 C ATOM 0 H ALA A 31 -11.262 -5.507 -3.555 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.453 -3.160 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.127 -2.127 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.433 -3.601 -5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.060 -3.643 -5.132 1.00 0.00 H new ATOM 455 N LEU A 32 -10.624 -2.771 -1.437 1.00 0.00 N ATOM 456 CA LEU A 32 -11.297 -2.259 -0.254 1.00 0.00 C ATOM 457 C LEU A 32 -11.318 -0.735 -0.270 1.00 0.00 C ATOM 458 O LEU A 32 -10.530 -0.077 0.414 1.00 0.00 O ATOM 459 CB LEU A 32 -10.609 -2.769 1.013 1.00 0.00 C ATOM 460 CG LEU A 32 -10.372 -4.279 1.059 1.00 0.00 C ATOM 461 CD1 LEU A 32 -8.995 -4.586 1.628 1.00 0.00 C ATOM 462 CD2 LEU A 32 -11.457 -4.959 1.878 1.00 0.00 C ATOM 0 H LEU A 32 -9.625 -2.935 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.326 -2.619 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.649 -2.263 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.213 -2.485 1.875 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.414 -4.669 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.844 -5.665 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.231 -4.127 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.922 -4.186 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.275 -6.033 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.445 -4.566 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.430 -4.766 1.425 1.00 0.00 H new ATOM 474 N VAL A 33 -12.215 -0.180 -1.067 1.00 0.00 N ATOM 475 CA VAL A 33 -12.349 1.262 -1.169 1.00 0.00 C ATOM 476 C VAL A 33 -13.085 1.824 0.042 1.00 0.00 C ATOM 477 O VAL A 33 -14.243 1.492 0.296 1.00 0.00 O ATOM 478 CB VAL A 33 -13.085 1.685 -2.459 1.00 0.00 C ATOM 479 CG1 VAL A 33 -12.114 1.748 -3.626 1.00 0.00 C ATOM 480 CG2 VAL A 33 -14.241 0.742 -2.774 1.00 0.00 C ATOM 0 H VAL A 33 -12.862 -0.707 -1.653 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.339 1.670 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.502 2.679 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.648 2.047 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.331 2.475 -3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.665 0.767 -3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.738 1.068 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.859 -0.270 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -14.954 0.753 -1.950 1.00 0.00 H new ATOM 490 N SER A 34 -12.400 2.663 0.796 1.00 0.00 N ATOM 491 CA SER A 34 -12.990 3.291 1.961 1.00 0.00 C ATOM 492 C SER A 34 -13.549 4.656 1.581 1.00 0.00 C ATOM 493 O SER A 34 -12.807 5.639 1.485 1.00 0.00 O ATOM 494 CB SER A 34 -11.942 3.415 3.064 1.00 0.00 C ATOM 495 OG SER A 34 -11.033 2.324 3.012 1.00 0.00 O ATOM 0 H SER A 34 -11.430 2.926 0.621 1.00 0.00 H new ATOM 0 HA SER A 34 -13.810 2.677 2.334 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.399 4.354 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.432 3.442 4.038 1.00 0.00 H new ATOM 0 HG SER A 34 -10.367 2.419 3.724 1.00 0.00 H new ATOM 501 N TYR A 35 -14.859 4.695 1.353 1.00 0.00 N ATOM 502 CA TYR A 35 -15.538 5.888 0.851 1.00 0.00 C ATOM 503 C TYR A 35 -15.373 7.106 1.774 1.00 0.00 C ATOM 504 O TYR A 35 -14.942 8.161 1.313 1.00 0.00 O ATOM 505 CB TYR A 35 -17.031 5.613 0.610 1.00 0.00 C ATOM 506 CG TYR A 35 -17.427 4.148 0.596 1.00 0.00 C ATOM 507 CD1 TYR A 35 -17.212 3.369 -0.534 1.00 0.00 C ATOM 508 CD2 TYR A 35 -17.992 3.540 1.709 1.00 0.00 C ATOM 509 CE1 TYR A 35 -17.549 2.031 -0.555 1.00 0.00 C ATOM 510 CE2 TYR A 35 -18.335 2.200 1.695 1.00 0.00 C ATOM 511 CZ TYR A 35 -18.197 1.475 0.577 1.00 0.00 C ATOM 512 OH TYR A 35 -18.440 0.113 0.541 1.00 0.00 O ATOM 0 H TYR A 35 -15.480 3.901 1.511 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.057 6.132 -0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -17.607 6.120 1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.316 6.059 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.773 3.819 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.167 4.123 2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.324 1.420 -1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.717 1.735 2.592 1.00 0.00 H new ATOM 0 HH TYR A 35 -18.887 -0.161 1.369 1.00 0.00 H new ATOM 522 N PRO A 36 -15.713 7.003 3.080 1.00 0.00 N ATOM 523 CA PRO A 36 -15.654 8.149 3.995 1.00 0.00 C ATOM 524 C PRO A 36 -14.224 8.583 4.303 1.00 0.00 C ATOM 525 O PRO A 36 -13.991 9.690 4.791 1.00 0.00 O ATOM 526 CB PRO A 36 -16.340 7.647 5.276 1.00 0.00 C ATOM 527 CG PRO A 36 -17.000 6.364 4.901 1.00 0.00 C ATOM 528 CD PRO A 36 -16.193 5.798 3.773 1.00 0.00 C ATOM 0 HA PRO A 36 -16.134 9.024 3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.615 7.496 6.075 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.069 8.371 5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.025 5.676 5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -18.033 6.531 4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.368 5.183 4.134 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.797 5.169 3.119 1.00 0.00 H new ATOM 536 N LYS A 37 -13.267 7.710 4.025 1.00 0.00 N ATOM 537 CA LYS A 37 -11.870 8.010 4.293 1.00 0.00 C ATOM 538 C LYS A 37 -11.182 8.556 3.047 1.00 0.00 C ATOM 539 O LYS A 37 -10.309 9.419 3.140 1.00 0.00 O ATOM 540 CB LYS A 37 -11.140 6.766 4.793 1.00 0.00 C ATOM 541 CG LYS A 37 -9.943 7.081 5.677 1.00 0.00 C ATOM 542 CD LYS A 37 -9.909 6.192 6.908 1.00 0.00 C ATOM 543 CE LYS A 37 -8.513 5.652 7.165 1.00 0.00 C ATOM 544 NZ LYS A 37 -8.511 4.621 8.236 1.00 0.00 N ATOM 0 H LYS A 37 -13.432 6.791 3.615 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.834 8.774 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.840 6.143 5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.805 6.181 3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.024 6.949 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.981 8.126 5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.247 6.758 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.603 5.362 6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.114 5.223 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.852 6.471 7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.541 4.276 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.868 5.037 9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.122 3.828 7.955 1.00 0.00 H new ATOM 558 N GLY A 38 -11.582 8.053 1.887 1.00 0.00 N ATOM 559 CA GLY A 38 -10.964 8.474 0.646 1.00 0.00 C ATOM 560 C GLY A 38 -9.727 7.659 0.330 1.00 0.00 C ATOM 561 O GLY A 38 -8.820 8.122 -0.361 1.00 0.00 O ATOM 0 H GLY A 38 -12.324 7.361 1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.681 8.377 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.697 9.529 0.712 1.00 0.00 H new ATOM 565 N THR A 39 -9.689 6.440 0.836 1.00 0.00 N ATOM 566 CA THR A 39 -8.547 5.566 0.621 1.00 0.00 C ATOM 567 C THR A 39 -8.954 4.319 -0.155 1.00 0.00 C ATOM 568 O THR A 39 -10.039 3.777 0.051 1.00 0.00 O ATOM 569 CB THR A 39 -7.915 5.149 1.960 1.00 0.00 C ATOM 570 OG1 THR A 39 -8.349 6.036 3.000 1.00 0.00 O ATOM 571 CG2 THR A 39 -6.398 5.168 1.872 1.00 0.00 C ATOM 0 H THR A 39 -10.435 6.031 1.399 1.00 0.00 H new ATOM 0 HA THR A 39 -7.814 6.124 0.039 1.00 0.00 H new ATOM 0 HB THR A 39 -8.236 4.133 2.189 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.598 6.230 3.599 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.974 4.870 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.070 4.474 1.098 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.061 6.174 1.624 1.00 0.00 H new ATOM 579 N ALA A 40 -8.088 3.871 -1.049 1.00 0.00 N ATOM 580 CA ALA A 40 -8.369 2.697 -1.851 1.00 0.00 C ATOM 581 C ALA A 40 -7.390 1.590 -1.511 1.00 0.00 C ATOM 582 O ALA A 40 -6.268 1.562 -2.025 1.00 0.00 O ATOM 583 CB ALA A 40 -8.307 3.038 -3.333 1.00 0.00 C ATOM 0 H ALA A 40 -7.184 4.305 -1.236 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.377 2.349 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.520 2.145 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.045 3.807 -3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.311 3.406 -3.580 1.00 0.00 H new ATOM 589 N GLN A 41 -7.809 0.694 -0.629 1.00 0.00 N ATOM 590 CA GLN A 41 -6.974 -0.425 -0.221 1.00 0.00 C ATOM 591 C GLN A 41 -7.008 -1.501 -1.294 1.00 0.00 C ATOM 592 O GLN A 41 -7.774 -2.464 -1.213 1.00 0.00 O ATOM 593 CB GLN A 41 -7.439 -0.989 1.126 1.00 0.00 C ATOM 594 CG GLN A 41 -7.545 0.058 2.224 1.00 0.00 C ATOM 595 CD GLN A 41 -6.215 0.712 2.542 1.00 0.00 C ATOM 596 OE1 GLN A 41 -5.732 1.565 1.797 1.00 0.00 O ATOM 597 NE2 GLN A 41 -5.618 0.324 3.657 1.00 0.00 N ATOM 0 H GLN A 41 -8.725 0.721 -0.181 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.949 -0.076 -0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.411 -1.464 0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.744 -1.767 1.444 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.258 0.824 1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.941 -0.407 3.127 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.052 -0.386 4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.724 0.735 3.927 1.00 0.00 H new ATOM 606 N LEU A 42 -6.192 -1.306 -2.315 1.00 0.00 N ATOM 607 CA LEU A 42 -6.179 -2.186 -3.463 1.00 0.00 C ATOM 608 C LEU A 42 -5.102 -3.246 -3.328 1.00 0.00 C ATOM 609 O LEU A 42 -3.911 -2.942 -3.250 1.00 0.00 O ATOM 610 CB LEU A 42 -5.962 -1.385 -4.745 1.00 0.00 C ATOM 611 CG LEU A 42 -7.241 -0.903 -5.431 1.00 0.00 C ATOM 612 CD1 LEU A 42 -7.019 0.460 -6.065 1.00 0.00 C ATOM 613 CD2 LEU A 42 -7.700 -1.915 -6.471 1.00 0.00 C ATOM 0 H LEU A 42 -5.524 -0.537 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.147 -2.685 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.343 -0.518 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.400 -1.999 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.025 -0.807 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.938 0.790 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.737 1.178 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.223 0.391 -6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.611 -1.557 -6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.921 -2.043 -7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.897 -2.871 -5.986 1.00 0.00 H new ATOM 625 N ALA A 43 -5.540 -4.486 -3.295 1.00 0.00 N ATOM 626 CA ALA A 43 -4.648 -5.619 -3.304 1.00 0.00 C ATOM 627 C ALA A 43 -4.600 -6.189 -4.710 1.00 0.00 C ATOM 628 O ALA A 43 -5.344 -7.111 -5.052 1.00 0.00 O ATOM 629 CB ALA A 43 -5.102 -6.667 -2.300 1.00 0.00 C ATOM 0 H ALA A 43 -6.529 -4.735 -3.261 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.647 -5.304 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.416 -7.514 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.111 -6.233 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.105 -7.006 -2.557 1.00 0.00 H new ATOM 635 N ILE A 44 -3.774 -5.577 -5.539 1.00 0.00 N ATOM 636 CA ILE A 44 -3.607 -6.015 -6.914 1.00 0.00 C ATOM 637 C ILE A 44 -2.543 -7.099 -7.006 1.00 0.00 C ATOM 638 O ILE A 44 -1.557 -7.080 -6.266 1.00 0.00 O ATOM 639 CB ILE A 44 -3.226 -4.851 -7.856 1.00 0.00 C ATOM 640 CG1 ILE A 44 -2.529 -3.726 -7.084 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.464 -4.322 -8.567 1.00 0.00 C ATOM 642 CD1 ILE A 44 -1.182 -3.342 -7.656 1.00 0.00 C ATOM 0 H ILE A 44 -3.205 -4.770 -5.282 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.570 -6.412 -7.234 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.528 -5.230 -8.602 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.175 -2.848 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.399 -4.035 -6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.182 -3.502 -9.228 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.916 -5.122 -9.154 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.182 -3.963 -7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.748 -2.540 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.519 -4.207 -7.638 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.307 -3.002 -8.684 1.00 0.00 H new ATOM 654 N VAL A 45 -2.752 -8.035 -7.915 1.00 0.00 N ATOM 655 CA VAL A 45 -1.836 -9.145 -8.107 1.00 0.00 C ATOM 656 C VAL A 45 -0.576 -8.680 -8.831 1.00 0.00 C ATOM 657 O VAL A 45 -0.664 -8.028 -9.875 1.00 0.00 O ATOM 658 CB VAL A 45 -2.500 -10.281 -8.906 1.00 0.00 C ATOM 659 CG1 VAL A 45 -1.647 -11.539 -8.879 1.00 0.00 C ATOM 660 CG2 VAL A 45 -3.899 -10.570 -8.378 1.00 0.00 C ATOM 0 H VAL A 45 -3.559 -8.047 -8.539 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.565 -9.524 -7.122 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.587 -9.953 -9.942 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.140 -12.325 -9.451 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.672 -11.327 -9.318 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.516 -11.868 -7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.348 -11.376 -8.958 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.839 -10.867 -7.331 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.513 -9.674 -8.466 1.00 0.00 H new ATOM 670 N PRO A 46 0.609 -8.987 -8.262 1.00 0.00 N ATOM 671 CA PRO A 46 1.903 -8.618 -8.848 1.00 0.00 C ATOM 672 C PRO A 46 1.959 -8.874 -10.352 1.00 0.00 C ATOM 673 O PRO A 46 1.865 -10.013 -10.809 1.00 0.00 O ATOM 674 CB PRO A 46 2.882 -9.521 -8.104 1.00 0.00 C ATOM 675 CG PRO A 46 2.267 -9.697 -6.761 1.00 0.00 C ATOM 676 CD PRO A 46 0.776 -9.710 -6.985 1.00 0.00 C ATOM 0 HA PRO A 46 2.117 -7.554 -8.745 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.008 -10.477 -8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.870 -9.065 -8.033 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.600 -10.626 -6.298 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.554 -8.886 -6.091 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.389 -10.727 -7.047 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.244 -9.215 -6.172 1.00 0.00 H new ATOM 684 N GLY A 47 2.103 -7.800 -11.107 1.00 0.00 N ATOM 685 CA GLY A 47 2.051 -7.875 -12.551 1.00 0.00 C ATOM 686 C GLY A 47 1.443 -6.614 -13.107 1.00 0.00 C ATOM 687 O GLY A 47 1.861 -6.102 -14.149 1.00 0.00 O ATOM 0 H GLY A 47 2.258 -6.861 -10.739 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.055 -8.014 -12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.462 -8.739 -12.858 1.00 0.00 H new ATOM 691 N THR A 48 0.443 -6.117 -12.399 1.00 0.00 N ATOM 692 CA THR A 48 -0.113 -4.807 -12.666 1.00 0.00 C ATOM 693 C THR A 48 0.700 -3.753 -11.945 1.00 0.00 C ATOM 694 O THR A 48 1.756 -4.052 -11.384 1.00 0.00 O ATOM 695 CB THR A 48 -1.588 -4.731 -12.222 1.00 0.00 C ATOM 696 OG1 THR A 48 -2.036 -6.027 -11.805 1.00 0.00 O ATOM 697 CG2 THR A 48 -2.473 -4.231 -13.353 1.00 0.00 C ATOM 0 H THR A 48 -0.003 -6.611 -11.626 1.00 0.00 H new ATOM 0 HA THR A 48 -0.073 -4.627 -13.740 1.00 0.00 H new ATOM 0 HB THR A 48 -1.657 -4.030 -11.390 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.973 -5.974 -11.522 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.508 -4.187 -13.013 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.148 -3.236 -13.656 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.398 -4.911 -14.201 1.00 0.00 H new ATOM 705 N SER A 49 0.219 -2.528 -11.951 1.00 0.00 N ATOM 706 CA SER A 49 0.947 -1.451 -11.326 1.00 0.00 C ATOM 707 C SER A 49 -0.015 -0.380 -10.832 1.00 0.00 C ATOM 708 O SER A 49 -1.030 -0.113 -11.475 1.00 0.00 O ATOM 709 CB SER A 49 1.950 -0.832 -12.308 1.00 0.00 C ATOM 710 OG SER A 49 2.322 -1.757 -13.315 1.00 0.00 O ATOM 0 H SER A 49 -0.666 -2.257 -12.379 1.00 0.00 H new ATOM 0 HA SER A 49 1.495 -1.860 -10.477 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.512 0.054 -12.768 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.837 -0.504 -11.767 1.00 0.00 H new ATOM 0 HG SER A 49 2.960 -1.335 -13.927 1.00 0.00 H new ATOM 716 N PRO A 50 0.276 0.234 -9.674 1.00 0.00 N ATOM 717 CA PRO A 50 -0.570 1.286 -9.107 1.00 0.00 C ATOM 718 C PRO A 50 -0.679 2.492 -10.027 1.00 0.00 C ATOM 719 O PRO A 50 -1.675 3.217 -9.999 1.00 0.00 O ATOM 720 CB PRO A 50 0.132 1.661 -7.796 1.00 0.00 C ATOM 721 CG PRO A 50 1.013 0.499 -7.485 1.00 0.00 C ATOM 722 CD PRO A 50 1.432 -0.063 -8.811 1.00 0.00 C ATOM 0 HA PRO A 50 -1.595 0.947 -8.961 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.712 2.577 -7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.589 1.834 -6.997 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.879 0.810 -6.901 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.482 -0.247 -6.894 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.343 0.408 -9.180 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.628 -1.134 -8.752 1.00 0.00 H new ATOM 730 N ASP A 51 0.345 2.692 -10.848 1.00 0.00 N ATOM 731 CA ASP A 51 0.327 3.739 -11.863 1.00 0.00 C ATOM 732 C ASP A 51 -0.832 3.515 -12.823 1.00 0.00 C ATOM 733 O ASP A 51 -1.456 4.463 -13.287 1.00 0.00 O ATOM 734 CB ASP A 51 1.659 3.754 -12.626 1.00 0.00 C ATOM 735 CG ASP A 51 1.641 4.642 -13.859 1.00 0.00 C ATOM 736 OD1 ASP A 51 1.287 4.144 -14.950 1.00 0.00 O ATOM 737 OD2 ASP A 51 1.949 5.847 -13.737 1.00 0.00 O ATOM 0 H ASP A 51 1.202 2.140 -10.830 1.00 0.00 H new ATOM 0 HA ASP A 51 0.193 4.705 -11.375 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.449 4.093 -11.956 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.909 2.736 -12.925 1.00 0.00 H new ATOM 742 N ALA A 52 -1.153 2.247 -13.059 1.00 0.00 N ATOM 743 CA ALA A 52 -2.195 1.889 -14.011 1.00 0.00 C ATOM 744 C ALA A 52 -3.571 2.149 -13.418 1.00 0.00 C ATOM 745 O ALA A 52 -4.474 2.632 -14.096 1.00 0.00 O ATOM 746 CB ALA A 52 -2.060 0.432 -14.431 1.00 0.00 C ATOM 0 H ALA A 52 -0.706 1.451 -12.604 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.079 2.513 -14.897 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.848 0.184 -15.142 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.087 0.277 -14.898 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.148 -0.209 -13.554 1.00 0.00 H new ATOM 752 N LEU A 53 -3.708 1.854 -12.134 1.00 0.00 N ATOM 753 CA LEU A 53 -4.973 2.024 -11.440 1.00 0.00 C ATOM 754 C LEU A 53 -5.238 3.501 -11.224 1.00 0.00 C ATOM 755 O LEU A 53 -6.333 3.999 -11.486 1.00 0.00 O ATOM 756 CB LEU A 53 -4.951 1.288 -10.104 1.00 0.00 C ATOM 757 CG LEU A 53 -4.838 -0.232 -10.209 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.637 -0.731 -9.424 1.00 0.00 C ATOM 759 CD2 LEU A 53 -6.113 -0.899 -9.718 1.00 0.00 C ATOM 0 H LEU A 53 -2.953 1.494 -11.550 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.773 1.602 -12.049 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.113 1.660 -9.514 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.861 1.533 -9.556 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.697 -0.495 -11.257 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.572 -1.816 -9.510 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.729 -0.280 -9.823 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.748 -0.456 -8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.013 -1.981 -9.801 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.287 -0.629 -8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.955 -0.565 -10.324 1.00 0.00 H new ATOM 771 N THR A 54 -4.207 4.203 -10.774 1.00 0.00 N ATOM 772 CA THR A 54 -4.280 5.637 -10.590 1.00 0.00 C ATOM 773 C THR A 54 -4.615 6.324 -11.913 1.00 0.00 C ATOM 774 O THR A 54 -5.451 7.225 -11.961 1.00 0.00 O ATOM 775 CB THR A 54 -2.953 6.191 -10.043 1.00 0.00 C ATOM 776 OG1 THR A 54 -2.560 5.459 -8.876 1.00 0.00 O ATOM 777 CG2 THR A 54 -3.079 7.663 -9.704 1.00 0.00 C ATOM 0 H THR A 54 -3.305 3.794 -10.529 1.00 0.00 H new ATOM 0 HA THR A 54 -5.068 5.843 -9.866 1.00 0.00 H new ATOM 0 HB THR A 54 -2.193 6.078 -10.816 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.118 4.627 -9.145 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.128 8.031 -9.319 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.348 8.221 -10.601 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.852 7.797 -8.948 1.00 0.00 H new ATOM 785 N ALA A 55 -3.968 5.871 -12.984 1.00 0.00 N ATOM 786 CA ALA A 55 -4.207 6.412 -14.319 1.00 0.00 C ATOM 787 C ALA A 55 -5.621 6.101 -14.788 1.00 0.00 C ATOM 788 O ALA A 55 -6.253 6.912 -15.465 1.00 0.00 O ATOM 789 CB ALA A 55 -3.195 5.868 -15.316 1.00 0.00 C ATOM 0 H ALA A 55 -3.271 5.127 -12.952 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.091 7.494 -14.262 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.395 6.286 -16.302 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.189 6.145 -15.001 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.275 4.782 -15.360 1.00 0.00 H new ATOM 795 N ALA A 56 -6.107 4.916 -14.434 1.00 0.00 N ATOM 796 CA ALA A 56 -7.463 4.515 -14.778 1.00 0.00 C ATOM 797 C ALA A 56 -8.474 5.418 -14.087 1.00 0.00 C ATOM 798 O ALA A 56 -9.441 5.855 -14.695 1.00 0.00 O ATOM 799 CB ALA A 56 -7.707 3.058 -14.411 1.00 0.00 C ATOM 0 H ALA A 56 -5.581 4.218 -13.909 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.587 4.617 -15.856 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.727 2.782 -14.678 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.006 2.424 -14.953 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.563 2.924 -13.339 1.00 0.00 H new ATOM 805 N VAL A 57 -8.228 5.715 -12.815 1.00 0.00 N ATOM 806 CA VAL A 57 -9.104 6.596 -12.053 1.00 0.00 C ATOM 807 C VAL A 57 -8.971 8.036 -12.544 1.00 0.00 C ATOM 808 O VAL A 57 -9.965 8.753 -12.682 1.00 0.00 O ATOM 809 CB VAL A 57 -8.793 6.547 -10.541 1.00 0.00 C ATOM 810 CG1 VAL A 57 -9.778 7.404 -9.757 1.00 0.00 C ATOM 811 CG2 VAL A 57 -8.812 5.112 -10.036 1.00 0.00 C ATOM 0 H VAL A 57 -7.429 5.358 -12.291 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.124 6.244 -12.207 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.793 6.952 -10.387 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.539 7.354 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.710 8.438 -10.096 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.791 7.035 -9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.591 5.099 -8.969 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.797 4.679 -10.208 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.062 4.529 -10.569 1.00 0.00 H new ATOM 821 N ALA A 58 -7.738 8.446 -12.828 1.00 0.00 N ATOM 822 CA ALA A 58 -7.479 9.794 -13.327 1.00 0.00 C ATOM 823 C ALA A 58 -8.148 10.002 -14.683 1.00 0.00 C ATOM 824 O ALA A 58 -8.721 11.062 -14.955 1.00 0.00 O ATOM 825 CB ALA A 58 -5.980 10.046 -13.427 1.00 0.00 C ATOM 0 H ALA A 58 -6.905 7.867 -12.722 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.903 10.509 -12.622 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.805 11.055 -13.800 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.527 9.940 -12.441 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.534 9.324 -14.111 1.00 0.00 H new ATOM 831 N GLY A 59 -8.085 8.974 -15.520 1.00 0.00 N ATOM 832 CA GLY A 59 -8.701 9.031 -16.829 1.00 0.00 C ATOM 833 C GLY A 59 -10.189 8.763 -16.775 1.00 0.00 C ATOM 834 O GLY A 59 -10.912 9.052 -17.725 1.00 0.00 O ATOM 0 H GLY A 59 -7.613 8.094 -15.311 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.527 10.013 -17.268 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.226 8.301 -17.484 1.00 0.00 H new ATOM 838 N LEU A 60 -10.653 8.202 -15.660 1.00 0.00 N ATOM 839 CA LEU A 60 -12.079 7.955 -15.458 1.00 0.00 C ATOM 840 C LEU A 60 -12.824 9.249 -15.131 1.00 0.00 C ATOM 841 O LEU A 60 -14.030 9.237 -14.879 1.00 0.00 O ATOM 842 CB LEU A 60 -12.288 6.942 -14.337 1.00 0.00 C ATOM 843 CG LEU A 60 -12.904 5.607 -14.758 1.00 0.00 C ATOM 844 CD1 LEU A 60 -14.419 5.715 -14.839 1.00 0.00 C ATOM 845 CD2 LEU A 60 -12.327 5.130 -16.084 1.00 0.00 C ATOM 0 H LEU A 60 -10.062 7.910 -14.882 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.482 7.552 -16.387 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.325 6.745 -13.866 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.927 7.393 -13.578 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.653 4.868 -13.997 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.837 4.754 -15.140 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.817 5.994 -13.863 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.691 6.475 -15.572 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.783 4.179 -16.358 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.535 5.869 -16.858 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.249 5.000 -15.986 1.00 0.00 H new ATOM 857 N GLY A 61 -12.101 10.360 -15.122 1.00 0.00 N ATOM 858 CA GLY A 61 -12.714 11.642 -14.838 1.00 0.00 C ATOM 859 C GLY A 61 -12.664 11.983 -13.365 1.00 0.00 C ATOM 860 O GLY A 61 -13.244 12.977 -12.925 1.00 0.00 O ATOM 0 H GLY A 61 -11.099 10.396 -15.307 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.206 12.420 -15.407 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.752 11.629 -15.172 1.00 0.00 H new ATOM 864 N TYR A 62 -11.975 11.152 -12.603 1.00 0.00 N ATOM 865 CA TYR A 62 -11.834 11.361 -11.172 1.00 0.00 C ATOM 866 C TYR A 62 -10.401 11.765 -10.844 1.00 0.00 C ATOM 867 O TYR A 62 -9.654 12.204 -11.721 1.00 0.00 O ATOM 868 CB TYR A 62 -12.206 10.085 -10.411 1.00 0.00 C ATOM 869 CG TYR A 62 -13.579 9.545 -10.746 1.00 0.00 C ATOM 870 CD1 TYR A 62 -14.720 10.309 -10.534 1.00 0.00 C ATOM 871 CD2 TYR A 62 -13.733 8.266 -11.264 1.00 0.00 C ATOM 872 CE1 TYR A 62 -15.977 9.813 -10.833 1.00 0.00 C ATOM 873 CE2 TYR A 62 -14.986 7.764 -11.564 1.00 0.00 C ATOM 874 CZ TYR A 62 -16.104 8.540 -11.345 1.00 0.00 C ATOM 875 OH TYR A 62 -17.352 8.040 -11.640 1.00 0.00 O ATOM 0 H TYR A 62 -11.501 10.320 -12.954 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.508 12.161 -10.866 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.463 9.317 -10.625 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.157 10.286 -9.341 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.624 11.306 -10.129 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.860 7.653 -11.435 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.854 10.421 -10.666 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -15.088 6.768 -11.968 1.00 0.00 H new ATOM 0 HH TYR A 62 -17.261 7.245 -12.205 1.00 0.00 H new ATOM 885 N LYS A 63 -10.024 11.614 -9.585 1.00 0.00 N ATOM 886 CA LYS A 63 -8.679 11.935 -9.146 1.00 0.00 C ATOM 887 C LYS A 63 -8.157 10.839 -8.230 1.00 0.00 C ATOM 888 O LYS A 63 -8.896 10.309 -7.395 1.00 0.00 O ATOM 889 CB LYS A 63 -8.665 13.279 -8.415 1.00 0.00 C ATOM 890 CG LYS A 63 -7.833 14.344 -9.102 1.00 0.00 C ATOM 891 CD LYS A 63 -8.667 15.566 -9.435 1.00 0.00 C ATOM 892 CE LYS A 63 -8.597 15.896 -10.914 1.00 0.00 C ATOM 893 NZ LYS A 63 -7.292 16.497 -11.286 1.00 0.00 N ATOM 0 H LYS A 63 -10.636 11.269 -8.846 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.033 12.006 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.689 13.639 -8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.283 13.128 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.003 14.632 -8.457 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.400 13.937 -10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.704 15.390 -9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.316 16.418 -8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.758 14.989 -11.496 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.401 16.586 -11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.285 16.708 -12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.149 17.376 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.526 15.829 -11.065 1.00 0.00 H new ATOM 907 N ALA A 64 -6.890 10.496 -8.383 1.00 0.00 N ATOM 908 CA ALA A 64 -6.283 9.458 -7.569 1.00 0.00 C ATOM 909 C ALA A 64 -4.816 9.766 -7.314 1.00 0.00 C ATOM 910 O ALA A 64 -4.156 10.411 -8.126 1.00 0.00 O ATOM 911 CB ALA A 64 -6.434 8.098 -8.233 1.00 0.00 C ATOM 0 H ALA A 64 -6.261 10.922 -9.064 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.800 9.431 -6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.973 7.334 -7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.492 7.871 -8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.945 8.112 -9.207 1.00 0.00 H new ATOM 917 N THR A 65 -4.313 9.308 -6.182 1.00 0.00 N ATOM 918 CA THR A 65 -2.927 9.536 -5.812 1.00 0.00 C ATOM 919 C THR A 65 -2.330 8.284 -5.183 1.00 0.00 C ATOM 920 O THR A 65 -2.708 7.902 -4.078 1.00 0.00 O ATOM 921 CB THR A 65 -2.808 10.719 -4.834 1.00 0.00 C ATOM 922 OG1 THR A 65 -4.077 11.374 -4.711 1.00 0.00 O ATOM 923 CG2 THR A 65 -1.765 11.716 -5.315 1.00 0.00 C ATOM 0 H THR A 65 -4.848 8.772 -5.498 1.00 0.00 H new ATOM 0 HA THR A 65 -2.373 9.777 -6.719 1.00 0.00 H new ATOM 0 HB THR A 65 -2.497 10.333 -3.863 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.998 12.125 -4.087 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.699 12.543 -4.608 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.796 11.222 -5.388 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.052 12.098 -6.295 1.00 0.00 H new ATOM 931 N LEU A 66 -1.425 7.631 -5.907 1.00 0.00 N ATOM 932 CA LEU A 66 -0.763 6.428 -5.407 1.00 0.00 C ATOM 933 C LEU A 66 -0.092 6.706 -4.064 1.00 0.00 C ATOM 934 O LEU A 66 0.667 7.666 -3.924 1.00 0.00 O ATOM 935 CB LEU A 66 0.264 5.913 -6.422 1.00 0.00 C ATOM 936 CG LEU A 66 1.161 6.982 -7.051 1.00 0.00 C ATOM 937 CD1 LEU A 66 2.626 6.675 -6.782 1.00 0.00 C ATOM 938 CD2 LEU A 66 0.904 7.084 -8.549 1.00 0.00 C ATOM 0 H LEU A 66 -1.133 7.914 -6.842 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.519 5.657 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.898 5.176 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.268 5.394 -7.220 1.00 0.00 H new ATOM 0 HG LEU A 66 0.921 7.942 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.249 7.446 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.802 6.654 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.879 5.705 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.551 7.849 -8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.115 6.124 -9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.138 7.352 -8.722 1.00 0.00 H new ATOM 950 N ALA A 67 -0.376 5.861 -3.082 1.00 0.00 N ATOM 951 CA ALA A 67 0.064 6.099 -1.720 1.00 0.00 C ATOM 952 C ALA A 67 0.251 4.782 -0.988 1.00 0.00 C ATOM 953 O ALA A 67 -0.713 4.085 -0.680 1.00 0.00 O ATOM 954 CB ALA A 67 -0.939 6.982 -0.992 1.00 0.00 C ATOM 0 H ALA A 67 -0.912 5.002 -3.207 1.00 0.00 H new ATOM 0 HA ALA A 67 1.024 6.615 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.599 7.154 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.027 7.937 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.911 6.489 -0.972 1.00 0.00 H new