USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 748 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 53 LYS NZ :NH3+ 156:sc= 0.0905 (180deg=-0.182) USER MOD Set 1.2: A 69 ASN : amide:sc= 0.0918 K(o=0.18,f=-0.91) USER MOD Set 2.1: A 43 TYR OH : rot 32:sc= 1.04 USER MOD Set 2.2: A 78 TYR OH : rot -64:sc= 0.56 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 158:sc= -0.0491 (180deg=-0.364) USER MOD Set 3.2: A 42 CYS SG : rot 44:sc= 1.17 USER MOD Set 3.3: A 79 SER OG : rot 180:sc= 0 USER MOD Set 3.4: A 81 SER OG : rot -170:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc=-0.00247 X(o=-0.0025,f=-0.085) USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0322) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -2.9 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.238 K(o=-0.24,f=-1.7!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -5.04! C(o=-5!,f=-4.4!) USER MOD Single : A 62 MET CE :methyl -132:sc= -0.102 (180deg=-1.76!) USER MOD Single : A 73 GLN : amide:sc= -0.0646 K(o=-0.065,f=-1.7!) USER MOD Single : A 75 SER OG : rot 170:sc= 0 USER MOD Single : A 80 CYS SG : rot -12:sc= 0.85 USER MOD Single : A 85 GLN : amide:sc= -0.301 K(o=-0.3,f=-3.3!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -130:sc= -2.07! USER MOD Single : A 88 SER OG : rot 130:sc= 0.722 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.502 -1.328 -6.207 1.00 0.00 N ATOM 2 CA GLY A 1 25.937 -0.302 -7.063 1.00 0.00 C ATOM 3 C GLY A 1 24.461 -0.520 -7.334 1.00 0.00 C ATOM 4 O GLY A 1 23.608 0.077 -6.677 1.00 0.00 O ATOM 0 H1 GLY A 1 27.512 -1.134 -6.052 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.006 -1.330 -5.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.394 -2.257 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.077 0.673 -6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.478 -0.284 -8.009 1.00 0.00 H new ATOM 8 N SER A 2 24.160 -1.377 -8.304 1.00 0.00 N ATOM 9 CA SER A 2 22.777 -1.668 -8.664 1.00 0.00 C ATOM 10 C SER A 2 22.494 -3.164 -8.564 1.00 0.00 C ATOM 11 O SER A 2 21.531 -3.583 -7.921 1.00 0.00 O ATOM 12 CB SER A 2 22.482 -1.176 -10.082 1.00 0.00 C ATOM 13 OG SER A 2 22.214 0.215 -10.094 1.00 0.00 O ATOM 0 H SER A 2 24.855 -1.882 -8.855 1.00 0.00 H new ATOM 0 HA SER A 2 22.127 -1.144 -7.963 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.332 -1.391 -10.729 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.628 -1.718 -10.488 1.00 0.00 H new ATOM 0 HG SER A 2 22.030 0.505 -11.012 1.00 0.00 H new ATOM 19 N SER A 3 23.339 -3.965 -9.204 1.00 0.00 N ATOM 20 CA SER A 3 23.179 -5.414 -9.191 1.00 0.00 C ATOM 21 C SER A 3 23.660 -6.002 -7.868 1.00 0.00 C ATOM 22 O SER A 3 24.858 -6.183 -7.655 1.00 0.00 O ATOM 23 CB SER A 3 23.950 -6.044 -10.352 1.00 0.00 C ATOM 24 OG SER A 3 23.180 -6.031 -11.542 1.00 0.00 O ATOM 0 H SER A 3 24.142 -3.635 -9.739 1.00 0.00 H new ATOM 0 HA SER A 3 22.118 -5.638 -9.304 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.881 -5.501 -10.512 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.219 -7.070 -10.100 1.00 0.00 H new ATOM 0 HG SER A 3 23.695 -6.438 -12.270 1.00 0.00 H new ATOM 30 N GLY A 4 22.715 -6.298 -6.981 1.00 0.00 N ATOM 31 CA GLY A 4 23.061 -6.862 -5.689 1.00 0.00 C ATOM 32 C GLY A 4 22.775 -8.349 -5.610 1.00 0.00 C ATOM 33 O GLY A 4 21.718 -8.809 -6.041 1.00 0.00 O ATOM 0 H GLY A 4 21.716 -6.157 -7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.119 -6.688 -5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.502 -6.346 -4.909 1.00 0.00 H new ATOM 37 N SER A 5 23.722 -9.103 -5.061 1.00 0.00 N ATOM 38 CA SER A 5 23.570 -10.548 -4.932 1.00 0.00 C ATOM 39 C SER A 5 23.558 -10.964 -3.465 1.00 0.00 C ATOM 40 O SER A 5 22.609 -11.591 -2.993 1.00 0.00 O ATOM 41 CB SER A 5 24.700 -11.268 -5.670 1.00 0.00 C ATOM 42 OG SER A 5 24.594 -12.673 -5.517 1.00 0.00 O ATOM 0 H SER A 5 24.603 -8.738 -4.698 1.00 0.00 H new ATOM 0 HA SER A 5 22.617 -10.830 -5.379 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.669 -11.011 -6.729 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.663 -10.929 -5.288 1.00 0.00 H new ATOM 0 HG SER A 5 25.326 -13.111 -5.999 1.00 0.00 H new ATOM 48 N SER A 6 24.620 -10.612 -2.747 1.00 0.00 N ATOM 49 CA SER A 6 24.735 -10.952 -1.334 1.00 0.00 C ATOM 50 C SER A 6 24.405 -9.748 -0.457 1.00 0.00 C ATOM 51 O SER A 6 25.102 -8.735 -0.486 1.00 0.00 O ATOM 52 CB SER A 6 26.146 -11.453 -1.022 1.00 0.00 C ATOM 53 OG SER A 6 26.307 -12.804 -1.418 1.00 0.00 O ATOM 0 H SER A 6 25.413 -10.091 -3.121 1.00 0.00 H new ATOM 0 HA SER A 6 24.019 -11.745 -1.117 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.878 -10.830 -1.536 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.341 -11.358 0.046 1.00 0.00 H new ATOM 0 HG SER A 6 27.218 -13.100 -1.209 1.00 0.00 H new ATOM 59 N GLY A 7 23.335 -9.867 0.323 1.00 0.00 N ATOM 60 CA GLY A 7 22.930 -8.782 1.198 1.00 0.00 C ATOM 61 C GLY A 7 21.502 -8.338 0.948 1.00 0.00 C ATOM 62 O GLY A 7 21.245 -7.388 0.209 1.00 0.00 O ATOM 0 H GLY A 7 22.741 -10.695 0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.032 -9.099 2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.601 -7.935 1.056 1.00 0.00 H new ATOM 66 N PRO A 8 20.543 -9.038 1.573 1.00 0.00 N ATOM 67 CA PRO A 8 19.117 -8.729 1.429 1.00 0.00 C ATOM 68 C PRO A 8 18.737 -7.417 2.105 1.00 0.00 C ATOM 69 O PRO A 8 19.567 -6.775 2.749 1.00 0.00 O ATOM 70 CB PRO A 8 18.428 -9.907 2.122 1.00 0.00 C ATOM 71 CG PRO A 8 19.432 -10.412 3.100 1.00 0.00 C ATOM 72 CD PRO A 8 20.777 -10.183 2.468 1.00 0.00 C ATOM 0 HA PRO A 8 18.830 -8.604 0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 8 17.512 -9.591 2.622 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.150 -10.680 1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 8 19.352 -9.883 4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 8 19.274 -11.470 3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 8 21.539 -9.960 3.215 1.00 0.00 H new ATOM 0 HD3 PRO A 8 21.117 -11.060 1.918 1.00 0.00 H new ATOM 80 N VAL A 9 17.476 -7.023 1.956 1.00 0.00 N ATOM 81 CA VAL A 9 16.985 -5.787 2.554 1.00 0.00 C ATOM 82 C VAL A 9 15.898 -6.069 3.585 1.00 0.00 C ATOM 83 O VAL A 9 15.004 -6.882 3.352 1.00 0.00 O ATOM 84 CB VAL A 9 16.427 -4.829 1.485 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.822 -3.595 2.137 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.517 -4.441 0.497 1.00 0.00 C ATOM 0 H VAL A 9 16.776 -7.542 1.426 1.00 0.00 H new ATOM 0 HA VAL A 9 17.835 -5.315 3.046 1.00 0.00 H new ATOM 0 HB VAL A 9 15.638 -5.344 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.433 -2.930 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.011 -3.895 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.588 -3.075 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.105 -3.764 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.329 -3.945 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.898 -5.336 0.006 1.00 0.00 H new ATOM 96 N ARG A 10 15.982 -5.392 4.726 1.00 0.00 N ATOM 97 CA ARG A 10 15.005 -5.570 5.793 1.00 0.00 C ATOM 98 C ARG A 10 13.985 -4.435 5.792 1.00 0.00 C ATOM 99 O ARG A 10 14.294 -3.309 5.402 1.00 0.00 O ATOM 100 CB ARG A 10 15.708 -5.637 7.150 1.00 0.00 C ATOM 101 CG ARG A 10 16.178 -7.033 7.525 1.00 0.00 C ATOM 102 CD ARG A 10 16.969 -7.025 8.824 1.00 0.00 C ATOM 103 NE ARG A 10 17.654 -8.294 9.055 1.00 0.00 N ATOM 104 CZ ARG A 10 18.415 -8.535 10.117 1.00 0.00 C ATOM 105 NH1 ARG A 10 18.585 -7.600 11.041 1.00 0.00 N ATOM 106 NH2 ARG A 10 19.005 -9.715 10.257 1.00 0.00 N ATOM 0 H ARG A 10 16.716 -4.716 4.935 1.00 0.00 H new ATOM 0 HA ARG A 10 14.479 -6.508 5.617 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.566 -4.965 7.139 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.028 -5.273 7.920 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.316 -7.693 7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.797 -7.437 6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.701 -6.218 8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.297 -6.819 9.657 1.00 0.00 H new ATOM 0 HE ARG A 10 17.542 -9.035 8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 10 18.131 -6.692 10.938 1.00 0.00 H new ATOM 0 HH12 ARG A 10 19.170 -7.788 11.855 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.874 -10.438 9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 10 19.589 -9.900 11.073 1.00 0.00 H new ATOM 120 N PHE A 11 12.768 -4.740 6.231 1.00 0.00 N ATOM 121 CA PHE A 11 11.702 -3.746 6.279 1.00 0.00 C ATOM 122 C PHE A 11 11.803 -2.902 7.546 1.00 0.00 C ATOM 123 O PHE A 11 11.031 -3.083 8.488 1.00 0.00 O ATOM 124 CB PHE A 11 10.335 -4.431 6.217 1.00 0.00 C ATOM 125 CG PHE A 11 9.818 -4.611 4.818 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.180 -3.571 4.162 1.00 0.00 C ATOM 127 CD2 PHE A 11 9.972 -5.820 4.159 1.00 0.00 C ATOM 128 CE1 PHE A 11 8.703 -3.734 2.875 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.497 -5.989 2.872 1.00 0.00 C ATOM 130 CZ PHE A 11 8.863 -4.944 2.229 1.00 0.00 C ATOM 0 H PHE A 11 12.496 -5.667 6.558 1.00 0.00 H new ATOM 0 HA PHE A 11 11.812 -3.089 5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.404 -5.406 6.699 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.617 -3.843 6.789 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.054 -2.622 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.469 -6.640 4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.206 -2.916 2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.621 -6.937 2.370 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.493 -5.073 1.223 1.00 0.00 H new ATOM 140 N GLN A 12 12.760 -1.979 7.560 1.00 0.00 N ATOM 141 CA GLN A 12 12.963 -1.107 8.711 1.00 0.00 C ATOM 142 C GLN A 12 11.648 -0.472 9.151 1.00 0.00 C ATOM 143 O GLN A 12 11.292 -0.513 10.328 1.00 0.00 O ATOM 144 CB GLN A 12 13.984 -0.018 8.379 1.00 0.00 C ATOM 145 CG GLN A 12 14.113 1.044 9.459 1.00 0.00 C ATOM 146 CD GLN A 12 14.705 0.501 10.744 1.00 0.00 C ATOM 147 OE1 GLN A 12 14.044 -0.222 11.489 1.00 0.00 O ATOM 148 NE2 GLN A 12 15.959 0.847 11.011 1.00 0.00 N ATOM 0 H GLN A 12 13.406 -1.816 6.788 1.00 0.00 H new ATOM 0 HA GLN A 12 13.345 -1.714 9.532 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.958 -0.481 8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.700 0.461 7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.738 1.857 9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.130 1.467 9.667 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.471 1.449 10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.411 0.511 11.862 1.00 0.00 H new ATOM 157 N GLU A 13 10.932 0.115 8.197 1.00 0.00 N ATOM 158 CA GLU A 13 9.657 0.761 8.488 1.00 0.00 C ATOM 159 C GLU A 13 8.584 0.314 7.499 1.00 0.00 C ATOM 160 O GLU A 13 8.081 1.113 6.710 1.00 0.00 O ATOM 161 CB GLU A 13 9.808 2.282 8.441 1.00 0.00 C ATOM 162 CG GLU A 13 10.263 2.890 9.757 1.00 0.00 C ATOM 163 CD GLU A 13 9.136 3.009 10.765 1.00 0.00 C ATOM 164 OE1 GLU A 13 8.433 2.003 10.992 1.00 0.00 O ATOM 165 OE2 GLU A 13 8.959 4.110 11.328 1.00 0.00 O ATOM 0 H GLU A 13 11.213 0.157 7.217 1.00 0.00 H new ATOM 0 HA GLU A 13 9.349 0.465 9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.525 2.543 7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.853 2.725 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.060 2.278 10.179 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.684 3.878 9.570 1.00 0.00 H new ATOM 172 N ALA A 14 8.238 -0.968 7.549 1.00 0.00 N ATOM 173 CA ALA A 14 7.224 -1.521 6.660 1.00 0.00 C ATOM 174 C ALA A 14 5.888 -0.809 6.841 1.00 0.00 C ATOM 175 O ALA A 14 5.787 0.161 7.594 1.00 0.00 O ATOM 176 CB ALA A 14 7.065 -3.014 6.905 1.00 0.00 C ATOM 0 H ALA A 14 8.645 -1.643 8.196 1.00 0.00 H new ATOM 0 HA ALA A 14 7.553 -1.365 5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.305 -3.414 6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.014 -3.516 6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.762 -3.183 7.938 1.00 0.00 H new ATOM 182 N LEU A 15 4.865 -1.294 6.145 1.00 0.00 N ATOM 183 CA LEU A 15 3.534 -0.703 6.229 1.00 0.00 C ATOM 184 C LEU A 15 2.965 -0.840 7.637 1.00 0.00 C ATOM 185 O LEU A 15 3.638 -1.324 8.547 1.00 0.00 O ATOM 186 CB LEU A 15 2.596 -1.367 5.220 1.00 0.00 C ATOM 187 CG LEU A 15 3.144 -1.534 3.802 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.394 -2.633 3.066 1.00 0.00 C ATOM 189 CD2 LEU A 15 3.055 -0.221 3.038 1.00 0.00 C ATOM 0 H LEU A 15 4.932 -2.095 5.517 1.00 0.00 H new ATOM 0 HA LEU A 15 3.619 0.358 5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.324 -2.351 5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.679 -0.781 5.167 1.00 0.00 H new ATOM 0 HG LEU A 15 4.193 -1.821 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.798 -2.737 2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.510 -3.575 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.336 -2.376 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.449 -0.358 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.014 0.096 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.638 0.541 3.555 1.00 0.00 H new ATOM 201 N LYS A 16 1.719 -0.412 7.810 1.00 0.00 N ATOM 202 CA LYS A 16 1.055 -0.489 9.106 1.00 0.00 C ATOM 203 C LYS A 16 -0.450 -0.293 8.959 1.00 0.00 C ATOM 204 O LYS A 16 -0.919 0.264 7.967 1.00 0.00 O ATOM 205 CB LYS A 16 1.627 0.563 10.058 1.00 0.00 C ATOM 206 CG LYS A 16 1.361 1.992 9.617 1.00 0.00 C ATOM 207 CD LYS A 16 2.097 2.993 10.491 1.00 0.00 C ATOM 208 CE LYS A 16 1.907 4.416 9.991 1.00 0.00 C ATOM 209 NZ LYS A 16 0.501 4.880 10.157 1.00 0.00 N ATOM 0 H LYS A 16 1.148 -0.008 7.068 1.00 0.00 H new ATOM 0 HA LYS A 16 1.235 -1.481 9.520 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.201 0.413 11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.703 0.414 10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.671 2.117 8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.290 2.192 9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.737 2.916 11.517 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.160 2.751 10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.576 5.084 10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.186 4.471 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.428 5.876 9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.128 4.300 9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.220 4.788 11.154 1.00 0.00 H new ATOM 223 N ASP A 17 -1.202 -0.753 9.953 1.00 0.00 N ATOM 224 CA ASP A 17 -2.654 -0.626 9.936 1.00 0.00 C ATOM 225 C ASP A 17 -3.070 0.823 9.703 1.00 0.00 C ATOM 226 O ASP A 17 -2.382 1.753 10.126 1.00 0.00 O ATOM 227 CB ASP A 17 -3.248 -1.135 11.251 1.00 0.00 C ATOM 228 CG ASP A 17 -2.928 -0.225 12.421 1.00 0.00 C ATOM 229 OD1 ASP A 17 -1.754 0.182 12.553 1.00 0.00 O ATOM 230 OD2 ASP A 17 -3.851 0.082 13.203 1.00 0.00 O ATOM 0 H ASP A 17 -0.829 -1.217 10.781 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.037 -1.232 9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.330 -1.223 11.148 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.865 -2.135 11.457 1.00 0.00 H new ATOM 235 N LEU A 18 -4.198 1.008 9.026 1.00 0.00 N ATOM 236 CA LEU A 18 -4.705 2.344 8.735 1.00 0.00 C ATOM 237 C LEU A 18 -6.207 2.424 8.990 1.00 0.00 C ATOM 238 O LEU A 18 -6.952 1.504 8.654 1.00 0.00 O ATOM 239 CB LEU A 18 -4.402 2.721 7.284 1.00 0.00 C ATOM 240 CG LEU A 18 -2.963 2.497 6.819 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.924 2.192 5.329 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.104 3.713 7.138 1.00 0.00 C ATOM 0 H LEU A 18 -4.779 0.250 8.668 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.204 3.048 9.399 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.065 2.149 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.648 3.774 7.144 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.558 1.639 7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.892 2.036 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.505 1.292 5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.348 3.030 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.083 3.536 6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.508 4.588 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.105 3.887 8.214 1.00 0.00 H new ATOM 254 N GLU A 19 -6.644 3.530 9.583 1.00 0.00 N ATOM 255 CA GLU A 19 -8.057 3.730 9.881 1.00 0.00 C ATOM 256 C GLU A 19 -8.637 4.859 9.035 1.00 0.00 C ATOM 257 O GLU A 19 -8.235 6.016 9.163 1.00 0.00 O ATOM 258 CB GLU A 19 -8.249 4.041 11.367 1.00 0.00 C ATOM 259 CG GLU A 19 -9.706 4.129 11.787 1.00 0.00 C ATOM 260 CD GLU A 19 -9.904 4.969 13.035 1.00 0.00 C ATOM 261 OE1 GLU A 19 -10.006 6.207 12.905 1.00 0.00 O ATOM 262 OE2 GLU A 19 -9.956 4.389 14.139 1.00 0.00 O ATOM 0 H GLU A 19 -6.040 4.301 9.867 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.587 2.809 9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.755 3.269 11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.755 4.985 11.599 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.290 4.554 10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.090 3.125 11.965 1.00 0.00 H new ATOM 269 N VAL A 20 -9.585 4.515 8.169 1.00 0.00 N ATOM 270 CA VAL A 20 -10.222 5.498 7.301 1.00 0.00 C ATOM 271 C VAL A 20 -11.693 5.164 7.078 1.00 0.00 C ATOM 272 O VAL A 20 -12.077 3.994 7.046 1.00 0.00 O ATOM 273 CB VAL A 20 -9.514 5.584 5.936 1.00 0.00 C ATOM 274 CG1 VAL A 20 -9.111 4.199 5.455 1.00 0.00 C ATOM 275 CG2 VAL A 20 -10.407 6.273 4.916 1.00 0.00 C ATOM 0 H VAL A 20 -9.929 3.562 8.050 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.144 6.462 7.804 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.608 6.179 6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.612 4.280 4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.432 3.746 6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.000 3.576 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.891 6.325 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.331 5.707 4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.640 7.281 5.258 1.00 0.00 H new ATOM 285 N LEU A 21 -12.512 6.198 6.925 1.00 0.00 N ATOM 286 CA LEU A 21 -13.942 6.015 6.704 1.00 0.00 C ATOM 287 C LEU A 21 -14.246 5.836 5.220 1.00 0.00 C ATOM 288 O LEU A 21 -13.599 6.443 4.367 1.00 0.00 O ATOM 289 CB LEU A 21 -14.721 7.211 7.254 1.00 0.00 C ATOM 290 CG LEU A 21 -16.170 6.940 7.660 1.00 0.00 C ATOM 291 CD1 LEU A 21 -16.221 6.108 8.931 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.925 8.248 7.845 1.00 0.00 C ATOM 0 H LEU A 21 -12.210 7.172 6.950 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.252 5.113 7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.188 7.598 8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.717 7.999 6.501 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.652 6.376 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.260 5.925 9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.717 5.156 8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.722 6.645 9.738 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.954 8.036 8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.444 8.839 8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.918 8.807 6.910 1.00 0.00 H new ATOM 304 N GLU A 22 -15.234 4.999 4.920 1.00 0.00 N ATOM 305 CA GLU A 22 -15.623 4.741 3.538 1.00 0.00 C ATOM 306 C GLU A 22 -15.887 6.048 2.795 1.00 0.00 C ATOM 307 O GLU A 22 -16.353 7.025 3.380 1.00 0.00 O ATOM 308 CB GLU A 22 -16.870 3.855 3.493 1.00 0.00 C ATOM 309 CG GLU A 22 -17.562 3.847 2.140 1.00 0.00 C ATOM 310 CD GLU A 22 -18.908 3.150 2.178 1.00 0.00 C ATOM 311 OE1 GLU A 22 -19.823 3.665 2.856 1.00 0.00 O ATOM 312 OE2 GLU A 22 -19.048 2.092 1.530 1.00 0.00 O ATOM 0 H GLU A 22 -15.779 4.488 5.614 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.800 4.223 3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.590 2.835 3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.575 4.196 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.698 4.873 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.921 3.352 1.411 1.00 0.00 H new ATOM 319 N GLY A 23 -15.585 6.057 1.500 1.00 0.00 N ATOM 320 CA GLY A 23 -15.795 7.247 0.697 1.00 0.00 C ATOM 321 C GLY A 23 -14.571 8.140 0.652 1.00 0.00 C ATOM 322 O GLY A 23 -14.687 9.364 0.628 1.00 0.00 O ATOM 0 H GLY A 23 -15.199 5.261 0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.064 6.954 -0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.637 7.810 1.100 1.00 0.00 H new ATOM 326 N GLY A 24 -13.392 7.525 0.643 1.00 0.00 N ATOM 327 CA GLY A 24 -12.158 8.287 0.602 1.00 0.00 C ATOM 328 C GLY A 24 -11.023 7.519 -0.046 1.00 0.00 C ATOM 329 O GLY A 24 -11.244 6.723 -0.958 1.00 0.00 O ATOM 0 H GLY A 24 -13.270 6.513 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.325 9.214 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.872 8.564 1.617 1.00 0.00 H new ATOM 333 N ALA A 25 -9.803 7.760 0.424 1.00 0.00 N ATOM 334 CA ALA A 25 -8.630 7.085 -0.116 1.00 0.00 C ATOM 335 C ALA A 25 -7.662 6.693 0.996 1.00 0.00 C ATOM 336 O ALA A 25 -7.667 7.287 2.074 1.00 0.00 O ATOM 337 CB ALA A 25 -7.933 7.972 -1.136 1.00 0.00 C ATOM 0 H ALA A 25 -9.602 8.418 1.177 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.963 6.173 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.059 7.455 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.620 8.198 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.620 8.900 -0.658 1.00 0.00 H new ATOM 343 N ALA A 26 -6.834 5.689 0.726 1.00 0.00 N ATOM 344 CA ALA A 26 -5.860 5.219 1.704 1.00 0.00 C ATOM 345 C ALA A 26 -4.437 5.374 1.179 1.00 0.00 C ATOM 346 O ALA A 26 -4.143 5.023 0.035 1.00 0.00 O ATOM 347 CB ALA A 26 -6.135 3.767 2.067 1.00 0.00 C ATOM 0 H ALA A 26 -6.818 5.186 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.958 5.831 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.400 3.429 2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.135 3.681 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.067 3.149 1.172 1.00 0.00 H new ATOM 353 N THR A 27 -3.554 5.902 2.021 1.00 0.00 N ATOM 354 CA THR A 27 -2.162 6.106 1.641 1.00 0.00 C ATOM 355 C THR A 27 -1.231 5.242 2.483 1.00 0.00 C ATOM 356 O THR A 27 -1.103 5.444 3.691 1.00 0.00 O ATOM 357 CB THR A 27 -1.749 7.582 1.790 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.781 8.434 1.281 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.448 7.857 1.052 1.00 0.00 C ATOM 0 H THR A 27 -3.779 6.196 2.971 1.00 0.00 H new ATOM 0 HA THR A 27 -2.074 5.817 0.594 1.00 0.00 H new ATOM 0 HB THR A 27 -1.598 7.788 2.850 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.511 9.371 1.381 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.177 8.906 1.172 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.343 7.229 1.462 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.576 7.634 -0.007 1.00 0.00 H new ATOM 367 N LEU A 28 -0.581 4.279 1.838 1.00 0.00 N ATOM 368 CA LEU A 28 0.341 3.383 2.529 1.00 0.00 C ATOM 369 C LEU A 28 1.782 3.861 2.376 1.00 0.00 C ATOM 370 O LEU A 28 2.213 4.222 1.280 1.00 0.00 O ATOM 371 CB LEU A 28 0.203 1.960 1.986 1.00 0.00 C ATOM 372 CG LEU A 28 -1.136 1.269 2.246 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.115 1.561 1.119 1.00 0.00 C ATOM 374 CD2 LEU A 28 -0.940 -0.231 2.409 1.00 0.00 C ATOM 0 H LEU A 28 -0.675 4.099 0.839 1.00 0.00 H new ATOM 0 HA LEU A 28 0.087 3.387 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.373 1.985 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.995 1.349 2.419 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.552 1.663 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.062 1.061 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.280 2.636 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.705 1.195 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.904 -0.706 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.501 -0.642 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.275 -0.422 3.251 1.00 0.00 H new ATOM 386 N ARG A 29 2.521 3.858 3.480 1.00 0.00 N ATOM 387 CA ARG A 29 3.913 4.290 3.468 1.00 0.00 C ATOM 388 C ARG A 29 4.817 3.232 4.094 1.00 0.00 C ATOM 389 O ARG A 29 4.472 2.631 5.113 1.00 0.00 O ATOM 390 CB ARG A 29 4.065 5.615 4.219 1.00 0.00 C ATOM 391 CG ARG A 29 3.916 6.839 3.331 1.00 0.00 C ATOM 392 CD ARG A 29 5.199 7.135 2.570 1.00 0.00 C ATOM 393 NE ARG A 29 6.096 8.005 3.327 1.00 0.00 N ATOM 394 CZ ARG A 29 5.841 9.285 3.577 1.00 0.00 C ATOM 395 NH1 ARG A 29 4.722 9.840 3.132 1.00 0.00 N ATOM 396 NH2 ARG A 29 6.706 10.011 4.273 1.00 0.00 N ATOM 0 H ARG A 29 2.179 3.561 4.394 1.00 0.00 H new ATOM 0 HA ARG A 29 4.214 4.432 2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.320 5.660 5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.044 5.641 4.698 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.101 6.680 2.625 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.646 7.701 3.941 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.709 6.199 2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.955 7.606 1.618 1.00 0.00 H new ATOM 0 HE ARG A 29 6.966 7.608 3.683 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.055 9.284 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.528 10.823 3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.568 9.587 4.617 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.510 10.993 4.464 1.00 0.00 H new ATOM 410 N CYS A 30 5.972 3.008 3.478 1.00 0.00 N ATOM 411 CA CYS A 30 6.924 2.021 3.975 1.00 0.00 C ATOM 412 C CYS A 30 8.338 2.345 3.503 1.00 0.00 C ATOM 413 O CYS A 30 8.586 2.495 2.307 1.00 0.00 O ATOM 414 CB CYS A 30 6.527 0.620 3.509 1.00 0.00 C ATOM 415 SG CYS A 30 6.537 0.408 1.713 1.00 0.00 S ATOM 0 H CYS A 30 6.272 3.496 2.634 1.00 0.00 H new ATOM 0 HA CYS A 30 6.907 2.052 5.064 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.208 -0.106 3.953 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.530 0.393 3.885 1.00 0.00 H new ATOM 0 HG CYS A 30 6.190 -0.810 1.418 1.00 0.00 H new ATOM 421 N VAL A 31 9.263 2.452 4.452 1.00 0.00 N ATOM 422 CA VAL A 31 10.652 2.759 4.135 1.00 0.00 C ATOM 423 C VAL A 31 11.550 1.549 4.370 1.00 0.00 C ATOM 424 O VAL A 31 11.504 0.925 5.431 1.00 0.00 O ATOM 425 CB VAL A 31 11.172 3.941 4.974 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.606 4.278 4.592 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.268 5.153 4.805 1.00 0.00 C ATOM 0 H VAL A 31 9.075 2.330 5.447 1.00 0.00 H new ATOM 0 HA VAL A 31 10.683 3.031 3.080 1.00 0.00 H new ATOM 0 HB VAL A 31 11.160 3.651 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.956 5.116 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.243 3.412 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.647 4.549 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.651 5.979 5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.246 5.447 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.259 4.903 5.133 1.00 0.00 H new ATOM 437 N LEU A 32 12.366 1.223 3.374 1.00 0.00 N ATOM 438 CA LEU A 32 13.276 0.087 3.472 1.00 0.00 C ATOM 439 C LEU A 32 14.647 0.529 3.974 1.00 0.00 C ATOM 440 O LEU A 32 14.925 1.724 4.081 1.00 0.00 O ATOM 441 CB LEU A 32 13.416 -0.598 2.112 1.00 0.00 C ATOM 442 CG LEU A 32 12.118 -0.819 1.335 1.00 0.00 C ATOM 443 CD1 LEU A 32 11.076 -1.491 2.215 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.589 0.502 0.794 1.00 0.00 C ATOM 0 H LEU A 32 12.416 1.729 2.490 1.00 0.00 H new ATOM 0 HA LEU A 32 12.858 -0.621 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.088 -0.002 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.895 -1.565 2.263 1.00 0.00 H new ATOM 0 HG LEU A 32 12.330 -1.476 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.159 -1.640 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.453 -2.456 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.867 -0.860 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.665 0.326 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.394 1.183 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.329 0.945 0.128 1.00 0.00 H new ATOM 456 N SER A 33 15.501 -0.442 4.280 1.00 0.00 N ATOM 457 CA SER A 33 16.843 -0.153 4.772 1.00 0.00 C ATOM 458 C SER A 33 17.620 0.693 3.768 1.00 0.00 C ATOM 459 O SER A 33 18.499 1.469 4.142 1.00 0.00 O ATOM 460 CB SER A 33 17.598 -1.454 5.052 1.00 0.00 C ATOM 461 OG SER A 33 18.724 -1.222 5.880 1.00 0.00 O ATOM 0 H SER A 33 15.288 -1.436 4.196 1.00 0.00 H new ATOM 0 HA SER A 33 16.749 0.411 5.700 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.931 -2.169 5.533 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.920 -1.901 4.111 1.00 0.00 H new ATOM 0 HG SER A 33 19.188 -2.069 6.045 1.00 0.00 H new ATOM 467 N SER A 34 17.288 0.537 2.491 1.00 0.00 N ATOM 468 CA SER A 34 17.956 1.284 1.431 1.00 0.00 C ATOM 469 C SER A 34 17.070 1.380 0.193 1.00 0.00 C ATOM 470 O SER A 34 16.289 0.474 -0.099 1.00 0.00 O ATOM 471 CB SER A 34 19.286 0.618 1.070 1.00 0.00 C ATOM 472 OG SER A 34 20.220 1.571 0.593 1.00 0.00 O ATOM 0 H SER A 34 16.561 -0.100 2.165 1.00 0.00 H new ATOM 0 HA SER A 34 18.150 2.292 1.797 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.693 0.112 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.120 -0.145 0.310 1.00 0.00 H new ATOM 0 HG SER A 34 21.062 1.121 0.371 1.00 0.00 H new ATOM 478 N VAL A 35 17.197 2.487 -0.533 1.00 0.00 N ATOM 479 CA VAL A 35 16.410 2.703 -1.741 1.00 0.00 C ATOM 480 C VAL A 35 16.772 1.691 -2.822 1.00 0.00 C ATOM 481 O VAL A 35 17.848 1.760 -3.416 1.00 0.00 O ATOM 482 CB VAL A 35 16.612 4.125 -2.296 1.00 0.00 C ATOM 483 CG1 VAL A 35 18.088 4.396 -2.547 1.00 0.00 C ATOM 484 CG2 VAL A 35 15.802 4.321 -3.569 1.00 0.00 C ATOM 0 H VAL A 35 17.837 3.248 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 35 15.364 2.575 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 35 16.257 4.839 -1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 35 18.211 5.406 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.640 4.300 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 35 18.472 3.677 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.957 5.332 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.124 3.599 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.744 4.173 -3.353 1.00 0.00 H new ATOM 494 N ALA A 36 15.866 0.752 -3.073 1.00 0.00 N ATOM 495 CA ALA A 36 16.089 -0.274 -4.085 1.00 0.00 C ATOM 496 C ALA A 36 14.917 -0.348 -5.059 1.00 0.00 C ATOM 497 O ALA A 36 13.843 -0.840 -4.715 1.00 0.00 O ATOM 498 CB ALA A 36 16.316 -1.626 -3.425 1.00 0.00 C ATOM 0 H ALA A 36 14.971 0.680 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 36 16.981 -0.004 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.481 -2.382 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.189 -1.572 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.440 -1.894 -2.834 1.00 0.00 H new ATOM 504 N ALA A 37 15.132 0.144 -6.274 1.00 0.00 N ATOM 505 CA ALA A 37 14.094 0.132 -7.298 1.00 0.00 C ATOM 506 C ALA A 37 14.584 -0.554 -8.568 1.00 0.00 C ATOM 507 O ALA A 37 15.776 -0.805 -8.747 1.00 0.00 O ATOM 508 CB ALA A 37 13.638 1.551 -7.604 1.00 0.00 C ATOM 0 H ALA A 37 16.016 0.556 -6.574 1.00 0.00 H new ATOM 0 HA ALA A 37 13.246 -0.435 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.863 1.527 -8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.239 2.008 -6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.485 2.136 -7.963 1.00 0.00 H new ATOM 514 N PRO A 38 13.644 -0.865 -9.474 1.00 0.00 N ATOM 515 CA PRO A 38 12.223 -0.571 -9.272 1.00 0.00 C ATOM 516 C PRO A 38 11.600 -1.438 -8.183 1.00 0.00 C ATOM 517 O PRO A 38 12.220 -2.386 -7.700 1.00 0.00 O ATOM 518 CB PRO A 38 11.598 -0.891 -10.632 1.00 0.00 C ATOM 519 CG PRO A 38 12.520 -1.886 -11.248 1.00 0.00 C ATOM 520 CD PRO A 38 13.898 -1.529 -10.763 1.00 0.00 C ATOM 0 HA PRO A 38 12.062 0.456 -8.944 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.593 -1.299 -10.520 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.512 0.004 -11.249 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.253 -2.901 -10.953 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.467 -1.846 -12.336 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.524 -2.414 -10.643 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.411 -0.868 -11.461 1.00 0.00 H new ATOM 528 N VAL A 39 10.371 -1.108 -7.800 1.00 0.00 N ATOM 529 CA VAL A 39 9.664 -1.857 -6.769 1.00 0.00 C ATOM 530 C VAL A 39 8.498 -2.642 -7.361 1.00 0.00 C ATOM 531 O VAL A 39 7.956 -2.277 -8.405 1.00 0.00 O ATOM 532 CB VAL A 39 9.132 -0.926 -5.663 1.00 0.00 C ATOM 533 CG1 VAL A 39 8.845 -1.714 -4.394 1.00 0.00 C ATOM 534 CG2 VAL A 39 10.122 0.196 -5.391 1.00 0.00 C ATOM 0 H VAL A 39 9.844 -0.326 -8.189 1.00 0.00 H new ATOM 0 HA VAL A 39 10.383 -2.552 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 39 8.197 -0.481 -6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.470 -1.040 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.097 -2.479 -4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.762 -2.189 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.731 0.844 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.073 -0.228 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.273 0.777 -6.301 1.00 0.00 H new ATOM 544 N LYS A 40 8.116 -3.721 -6.688 1.00 0.00 N ATOM 545 CA LYS A 40 7.013 -4.558 -7.145 1.00 0.00 C ATOM 546 C LYS A 40 5.846 -4.505 -6.164 1.00 0.00 C ATOM 547 O LYS A 40 5.966 -4.939 -5.018 1.00 0.00 O ATOM 548 CB LYS A 40 7.481 -6.004 -7.319 1.00 0.00 C ATOM 549 CG LYS A 40 6.456 -6.898 -7.997 1.00 0.00 C ATOM 550 CD LYS A 40 5.482 -7.491 -6.992 1.00 0.00 C ATOM 551 CE LYS A 40 4.972 -8.850 -7.446 1.00 0.00 C ATOM 552 NZ LYS A 40 6.045 -9.882 -7.419 1.00 0.00 N ATOM 0 H LYS A 40 8.554 -4.037 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 40 6.674 -4.174 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.401 -6.011 -7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.722 -6.419 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.906 -6.323 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.967 -7.701 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.972 -7.590 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.640 -6.812 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.150 -9.163 -6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.572 -8.769 -8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.616 -10.828 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.617 -9.810 -8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.652 -9.730 -6.589 1.00 0.00 H new ATOM 566 N TRP A 41 4.719 -3.971 -6.620 1.00 0.00 N ATOM 567 CA TRP A 41 3.530 -3.863 -5.782 1.00 0.00 C ATOM 568 C TRP A 41 2.552 -4.995 -6.076 1.00 0.00 C ATOM 569 O TRP A 41 2.473 -5.482 -7.204 1.00 0.00 O ATOM 570 CB TRP A 41 2.847 -2.512 -6.002 1.00 0.00 C ATOM 571 CG TRP A 41 3.342 -1.439 -5.080 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.257 -0.467 -5.370 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.951 -1.230 -3.719 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.458 0.333 -4.271 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.667 -0.114 -3.246 1.00 0.00 C ATOM 576 CE3 TRP A 41 2.063 -1.877 -2.855 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.523 0.367 -1.947 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.921 -1.399 -1.566 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.647 -0.286 -1.122 1.00 0.00 C ATOM 0 H TRP A 41 4.603 -3.606 -7.565 1.00 0.00 H new ATOM 0 HA TRP A 41 3.842 -3.939 -4.740 1.00 0.00 H new ATOM 0 HB2 TRP A 41 3.005 -2.197 -7.033 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.772 -2.630 -5.866 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.750 -0.345 -6.323 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.093 1.130 -4.226 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.498 -2.735 -3.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.082 1.224 -1.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.239 -1.892 -0.889 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.513 0.064 -0.109 1.00 0.00 H new ATOM 590 N CYS A 42 1.809 -5.408 -5.056 1.00 0.00 N ATOM 591 CA CYS A 42 0.836 -6.484 -5.206 1.00 0.00 C ATOM 592 C CYS A 42 -0.217 -6.422 -4.104 1.00 0.00 C ATOM 593 O CYS A 42 0.111 -6.292 -2.924 1.00 0.00 O ATOM 594 CB CYS A 42 1.538 -7.843 -5.181 1.00 0.00 C ATOM 595 SG CYS A 42 2.735 -8.030 -3.839 1.00 0.00 S ATOM 0 H CYS A 42 1.861 -5.014 -4.116 1.00 0.00 H new ATOM 0 HA CYS A 42 0.338 -6.358 -6.167 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.786 -8.627 -5.095 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.048 -7.994 -6.132 1.00 0.00 H new ATOM 0 HG CYS A 42 2.224 -7.573 -2.735 1.00 0.00 H new ATOM 601 N TYR A 43 -1.483 -6.515 -4.496 1.00 0.00 N ATOM 602 CA TYR A 43 -2.584 -6.465 -3.542 1.00 0.00 C ATOM 603 C TYR A 43 -3.653 -7.497 -3.890 1.00 0.00 C ATOM 604 O TYR A 43 -4.412 -7.325 -4.843 1.00 0.00 O ATOM 605 CB TYR A 43 -3.201 -5.066 -3.515 1.00 0.00 C ATOM 606 CG TYR A 43 -4.623 -5.040 -3.003 1.00 0.00 C ATOM 607 CD1 TYR A 43 -4.974 -5.705 -1.834 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.616 -4.350 -3.687 1.00 0.00 C ATOM 609 CE1 TYR A 43 -6.272 -5.685 -1.363 1.00 0.00 C ATOM 610 CE2 TYR A 43 -6.917 -4.323 -3.223 1.00 0.00 C ATOM 611 CZ TYR A 43 -7.240 -4.993 -2.061 1.00 0.00 C ATOM 612 OH TYR A 43 -8.534 -4.969 -1.594 1.00 0.00 O ATOM 0 H TYR A 43 -1.772 -6.625 -5.468 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.186 -6.698 -2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.587 -4.419 -2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.179 -4.649 -4.522 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.218 -6.247 -1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.367 -3.825 -4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.528 -6.208 -0.453 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.677 -3.781 -3.767 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.529 -5.007 -0.615 1.00 0.00 H new ATOM 622 N GLY A 44 -3.706 -8.572 -3.108 1.00 0.00 N ATOM 623 CA GLY A 44 -4.684 -9.616 -3.348 1.00 0.00 C ATOM 624 C GLY A 44 -4.229 -10.607 -4.400 1.00 0.00 C ATOM 625 O GLY A 44 -3.337 -11.418 -4.154 1.00 0.00 O ATOM 0 H GLY A 44 -3.089 -8.738 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.881 -10.146 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.624 -9.163 -3.663 1.00 0.00 H new ATOM 629 N ASN A 45 -4.844 -10.543 -5.577 1.00 0.00 N ATOM 630 CA ASN A 45 -4.498 -11.444 -6.670 1.00 0.00 C ATOM 631 C ASN A 45 -3.907 -10.670 -7.845 1.00 0.00 C ATOM 632 O ASN A 45 -2.814 -10.978 -8.317 1.00 0.00 O ATOM 633 CB ASN A 45 -5.732 -12.223 -7.127 1.00 0.00 C ATOM 634 CG ASN A 45 -6.350 -13.037 -6.006 1.00 0.00 C ATOM 635 OD1 ASN A 45 -6.710 -12.499 -4.959 1.00 0.00 O ATOM 636 ND2 ASN A 45 -6.474 -14.342 -6.222 1.00 0.00 N ATOM 0 H ASN A 45 -5.584 -9.877 -5.798 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.748 -12.146 -6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.474 -11.527 -7.518 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.456 -12.888 -7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.882 -14.941 -5.504 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.162 -14.745 -7.106 1.00 0.00 H new ATOM 643 N ASN A 46 -4.639 -9.664 -8.312 1.00 0.00 N ATOM 644 CA ASN A 46 -4.188 -8.846 -9.432 1.00 0.00 C ATOM 645 C ASN A 46 -3.022 -7.953 -9.019 1.00 0.00 C ATOM 646 O ASN A 46 -2.839 -7.660 -7.838 1.00 0.00 O ATOM 647 CB ASN A 46 -5.339 -7.988 -9.961 1.00 0.00 C ATOM 648 CG ASN A 46 -6.534 -8.821 -10.385 1.00 0.00 C ATOM 649 OD1 ASN A 46 -7.417 -9.115 -9.580 1.00 0.00 O ATOM 650 ND2 ASN A 46 -6.564 -9.206 -11.656 1.00 0.00 N ATOM 0 H ASN A 46 -5.547 -9.396 -7.932 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.849 -9.514 -10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.647 -7.282 -9.189 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.990 -7.400 -10.810 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.342 -9.769 -12.000 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.809 -8.938 -12.288 1.00 0.00 H new ATOM 657 N VAL A 47 -2.235 -7.524 -10.001 1.00 0.00 N ATOM 658 CA VAL A 47 -1.088 -6.664 -9.740 1.00 0.00 C ATOM 659 C VAL A 47 -1.470 -5.192 -9.843 1.00 0.00 C ATOM 660 O VAL A 47 -2.250 -4.801 -10.713 1.00 0.00 O ATOM 661 CB VAL A 47 0.065 -6.953 -10.720 1.00 0.00 C ATOM 662 CG1 VAL A 47 1.289 -6.123 -10.365 1.00 0.00 C ATOM 663 CG2 VAL A 47 0.401 -8.437 -10.724 1.00 0.00 C ATOM 0 H VAL A 47 -2.371 -7.758 -10.984 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.755 -6.880 -8.725 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.256 -6.673 -11.723 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.093 -6.341 -11.068 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.038 -5.064 -10.418 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.615 -6.369 -9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.217 -8.623 -11.422 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.702 -8.745 -9.723 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.476 -9.008 -11.031 1.00 0.00 H new ATOM 673 N LEU A 48 -0.916 -4.378 -8.951 1.00 0.00 N ATOM 674 CA LEU A 48 -1.199 -2.947 -8.941 1.00 0.00 C ATOM 675 C LEU A 48 -0.266 -2.202 -9.890 1.00 0.00 C ATOM 676 O LEU A 48 0.956 -2.275 -9.761 1.00 0.00 O ATOM 677 CB LEU A 48 -1.055 -2.389 -7.524 1.00 0.00 C ATOM 678 CG LEU A 48 -1.875 -3.090 -6.440 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.304 -2.792 -5.062 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.335 -2.666 -6.518 1.00 0.00 C ATOM 0 H LEU A 48 -0.268 -4.685 -8.225 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.225 -2.801 -9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.003 -2.435 -7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.335 -1.336 -7.540 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.820 -4.166 -6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.900 -3.299 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.274 -3.146 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.328 -1.717 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.904 -3.175 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.409 -1.588 -6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.739 -2.932 -7.495 1.00 0.00 H new ATOM 692 N ARG A 49 -0.851 -1.483 -10.843 1.00 0.00 N ATOM 693 CA ARG A 49 -0.073 -0.722 -11.813 1.00 0.00 C ATOM 694 C ARG A 49 -0.358 0.771 -11.689 1.00 0.00 C ATOM 695 O ARG A 49 -1.457 1.190 -11.323 1.00 0.00 O ATOM 696 CB ARG A 49 -0.387 -1.196 -13.233 1.00 0.00 C ATOM 697 CG ARG A 49 0.126 -2.595 -13.536 1.00 0.00 C ATOM 698 CD ARG A 49 -0.432 -3.120 -14.849 1.00 0.00 C ATOM 699 NE ARG A 49 -1.881 -3.298 -14.797 1.00 0.00 N ATOM 700 CZ ARG A 49 -2.658 -3.321 -15.874 1.00 0.00 C ATOM 701 NH1 ARG A 49 -2.128 -3.180 -17.081 1.00 0.00 N ATOM 702 NH2 ARG A 49 -3.968 -3.487 -15.744 1.00 0.00 N ATOM 0 H ARG A 49 -1.861 -1.412 -10.964 1.00 0.00 H new ATOM 0 HA ARG A 49 0.984 -0.890 -11.606 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.466 -1.173 -13.384 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.049 -0.496 -13.945 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.215 -2.583 -13.581 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.152 -3.269 -12.726 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.181 -2.427 -15.652 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.042 -4.072 -15.089 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.320 -3.411 -13.883 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.121 -3.053 -17.184 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.727 -3.198 -17.906 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.379 -3.597 -14.817 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.564 -3.505 -16.571 1.00 0.00 H new ATOM 716 N PRO A 50 0.653 1.595 -12.000 1.00 0.00 N ATOM 717 CA PRO A 50 0.535 3.055 -11.930 1.00 0.00 C ATOM 718 C PRO A 50 -0.382 3.614 -13.013 1.00 0.00 C ATOM 719 O PRO A 50 -0.403 3.120 -14.139 1.00 0.00 O ATOM 720 CB PRO A 50 1.972 3.537 -12.145 1.00 0.00 C ATOM 721 CG PRO A 50 2.628 2.443 -12.914 1.00 0.00 C ATOM 722 CD PRO A 50 1.990 1.166 -12.443 1.00 0.00 C ATOM 0 HA PRO A 50 0.097 3.385 -10.988 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.996 4.477 -12.696 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.477 3.711 -11.195 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.484 2.579 -13.986 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.703 2.431 -12.736 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.931 0.428 -13.243 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.556 0.710 -11.630 1.00 0.00 H new ATOM 730 N GLY A 51 -1.140 4.649 -12.663 1.00 0.00 N ATOM 731 CA GLY A 51 -2.049 5.259 -13.616 1.00 0.00 C ATOM 732 C GLY A 51 -3.000 6.241 -12.963 1.00 0.00 C ATOM 733 O GLY A 51 -2.617 6.976 -12.053 1.00 0.00 O ATOM 0 H GLY A 51 -1.141 5.076 -11.737 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.473 5.773 -14.385 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.624 4.479 -14.116 1.00 0.00 H new ATOM 737 N ASP A 52 -4.244 6.257 -13.429 1.00 0.00 N ATOM 738 CA ASP A 52 -5.254 7.157 -12.885 1.00 0.00 C ATOM 739 C ASP A 52 -5.901 6.559 -11.640 1.00 0.00 C ATOM 740 O ASP A 52 -6.020 7.221 -10.609 1.00 0.00 O ATOM 741 CB ASP A 52 -6.323 7.455 -13.937 1.00 0.00 C ATOM 742 CG ASP A 52 -5.906 8.559 -14.889 1.00 0.00 C ATOM 743 OD1 ASP A 52 -4.687 8.727 -15.107 1.00 0.00 O ATOM 744 OD2 ASP A 52 -6.798 9.255 -15.417 1.00 0.00 O ATOM 0 H ASP A 52 -4.577 5.656 -14.183 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.762 8.088 -12.605 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.532 6.549 -14.505 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.250 7.740 -13.439 1.00 0.00 H new ATOM 749 N LYS A 53 -6.320 5.302 -11.743 1.00 0.00 N ATOM 750 CA LYS A 53 -6.956 4.613 -10.626 1.00 0.00 C ATOM 751 C LYS A 53 -5.979 4.438 -9.468 1.00 0.00 C ATOM 752 O LYS A 53 -6.321 4.688 -8.312 1.00 0.00 O ATOM 753 CB LYS A 53 -7.481 3.247 -11.075 1.00 0.00 C ATOM 754 CG LYS A 53 -8.256 2.509 -9.998 1.00 0.00 C ATOM 755 CD LYS A 53 -9.587 3.181 -9.709 1.00 0.00 C ATOM 756 CE LYS A 53 -10.244 2.605 -8.464 1.00 0.00 C ATOM 757 NZ LYS A 53 -11.707 2.882 -8.430 1.00 0.00 N ATOM 0 H LYS A 53 -6.230 4.739 -12.589 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.792 5.223 -10.284 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.124 3.382 -11.945 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.640 2.631 -11.393 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.428 1.480 -10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.662 2.468 -9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.434 4.252 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.252 3.056 -10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.077 1.528 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.774 3.028 -7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.181 2.173 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.872 3.830 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.092 2.836 -9.395 1.00 0.00 H new ATOM 771 N TYR A 54 -4.763 4.009 -9.785 1.00 0.00 N ATOM 772 CA TYR A 54 -3.737 3.800 -8.771 1.00 0.00 C ATOM 773 C TYR A 54 -2.523 4.686 -9.032 1.00 0.00 C ATOM 774 O TYR A 54 -2.220 5.021 -10.177 1.00 0.00 O ATOM 775 CB TYR A 54 -3.312 2.331 -8.740 1.00 0.00 C ATOM 776 CG TYR A 54 -4.436 1.383 -8.386 1.00 0.00 C ATOM 777 CD1 TYR A 54 -5.273 0.869 -9.368 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.659 1.001 -7.068 1.00 0.00 C ATOM 779 CE1 TYR A 54 -6.301 0.003 -9.049 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.684 0.134 -6.740 1.00 0.00 C ATOM 781 CZ TYR A 54 -6.503 -0.361 -7.734 1.00 0.00 C ATOM 782 OH TYR A 54 -7.525 -1.224 -7.412 1.00 0.00 O ATOM 0 H TYR A 54 -4.463 3.799 -10.737 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.160 4.070 -7.803 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.910 2.057 -9.716 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.505 2.210 -8.018 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.117 1.151 -10.399 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.021 1.388 -6.288 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.943 -0.387 -9.825 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.843 -0.154 -5.711 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.530 -1.379 -6.444 1.00 0.00 H new ATOM 792 N SER A 55 -1.831 5.063 -7.961 1.00 0.00 N ATOM 793 CA SER A 55 -0.652 5.913 -8.073 1.00 0.00 C ATOM 794 C SER A 55 0.550 5.267 -7.391 1.00 0.00 C ATOM 795 O SER A 55 0.445 4.756 -6.275 1.00 0.00 O ATOM 796 CB SER A 55 -0.926 7.286 -7.455 1.00 0.00 C ATOM 797 OG SER A 55 0.273 8.022 -7.296 1.00 0.00 O ATOM 0 H SER A 55 -2.067 4.793 -7.006 1.00 0.00 H new ATOM 0 HA SER A 55 -0.424 6.038 -9.132 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.616 7.842 -8.089 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.411 7.162 -6.487 1.00 0.00 H new ATOM 0 HG SER A 55 0.071 8.896 -6.901 1.00 0.00 H new ATOM 803 N LEU A 56 1.692 5.294 -8.069 1.00 0.00 N ATOM 804 CA LEU A 56 2.916 4.711 -7.529 1.00 0.00 C ATOM 805 C LEU A 56 4.091 5.670 -7.689 1.00 0.00 C ATOM 806 O LEU A 56 4.571 5.901 -8.799 1.00 0.00 O ATOM 807 CB LEU A 56 3.225 3.387 -8.229 1.00 0.00 C ATOM 808 CG LEU A 56 2.118 2.333 -8.190 1.00 0.00 C ATOM 809 CD1 LEU A 56 2.510 1.116 -9.013 1.00 0.00 C ATOM 810 CD2 LEU A 56 1.814 1.932 -6.754 1.00 0.00 C ATOM 0 H LEU A 56 1.796 5.713 -8.993 1.00 0.00 H new ATOM 0 HA LEU A 56 2.763 4.526 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.462 3.597 -9.272 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.121 2.961 -7.778 1.00 0.00 H new ATOM 0 HG LEU A 56 1.216 2.765 -8.625 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.710 0.377 -8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.677 1.415 -10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.425 0.683 -8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.024 1.181 -6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.712 1.519 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.488 2.808 -6.193 1.00 0.00 H new ATOM 822 N ARG A 57 4.553 6.223 -6.572 1.00 0.00 N ATOM 823 CA ARG A 57 5.673 7.156 -6.587 1.00 0.00 C ATOM 824 C ARG A 57 6.747 6.733 -5.589 1.00 0.00 C ATOM 825 O ARG A 57 6.442 6.368 -4.454 1.00 0.00 O ATOM 826 CB ARG A 57 5.191 8.571 -6.264 1.00 0.00 C ATOM 827 CG ARG A 57 6.308 9.601 -6.223 1.00 0.00 C ATOM 828 CD ARG A 57 6.546 10.218 -7.593 1.00 0.00 C ATOM 829 NE ARG A 57 7.931 10.649 -7.765 1.00 0.00 N ATOM 830 CZ ARG A 57 8.379 11.264 -8.854 1.00 0.00 C ATOM 831 NH1 ARG A 57 7.556 11.519 -9.861 1.00 0.00 N ATOM 832 NH2 ARG A 57 9.653 11.626 -8.936 1.00 0.00 N ATOM 0 H ARG A 57 4.169 6.041 -5.645 1.00 0.00 H new ATOM 0 HA ARG A 57 6.107 7.147 -7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.456 8.874 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.682 8.561 -5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.056 10.385 -5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.226 9.131 -5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.293 9.493 -8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.881 11.071 -7.727 1.00 0.00 H new ATOM 0 HE ARG A 57 8.590 10.468 -7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.576 11.243 -9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.903 11.991 -10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.289 11.432 -8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.996 12.098 -9.772 1.00 0.00 H new ATOM 846 N GLN A 58 8.003 6.784 -6.022 1.00 0.00 N ATOM 847 CA GLN A 58 9.121 6.404 -5.166 1.00 0.00 C ATOM 848 C GLN A 58 10.036 7.596 -4.905 1.00 0.00 C ATOM 849 O GLN A 58 10.215 8.453 -5.770 1.00 0.00 O ATOM 850 CB GLN A 58 9.917 5.266 -5.806 1.00 0.00 C ATOM 851 CG GLN A 58 10.903 4.604 -4.857 1.00 0.00 C ATOM 852 CD GLN A 58 12.106 4.026 -5.576 1.00 0.00 C ATOM 853 OE1 GLN A 58 12.501 4.509 -6.637 1.00 0.00 O ATOM 854 NE2 GLN A 58 12.696 2.985 -5.000 1.00 0.00 N ATOM 0 H GLN A 58 8.272 7.084 -6.959 1.00 0.00 H new ATOM 0 HA GLN A 58 8.717 6.064 -4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.223 4.513 -6.179 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.460 5.654 -6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.240 5.335 -4.122 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.396 3.810 -4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.335 2.617 -4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.510 2.554 -5.438 1.00 0.00 H new ATOM 863 N GLU A 59 10.610 7.644 -3.707 1.00 0.00 N ATOM 864 CA GLU A 59 11.506 8.732 -3.333 1.00 0.00 C ATOM 865 C GLU A 59 12.538 8.261 -2.313 1.00 0.00 C ATOM 866 O GLU A 59 12.223 8.070 -1.139 1.00 0.00 O ATOM 867 CB GLU A 59 10.707 9.906 -2.763 1.00 0.00 C ATOM 868 CG GLU A 59 9.696 10.485 -3.738 1.00 0.00 C ATOM 869 CD GLU A 59 10.346 11.320 -4.825 1.00 0.00 C ATOM 870 OE1 GLU A 59 10.986 10.733 -5.722 1.00 0.00 O ATOM 871 OE2 GLU A 59 10.214 12.561 -4.777 1.00 0.00 O ATOM 0 H GLU A 59 10.471 6.943 -2.979 1.00 0.00 H new ATOM 0 HA GLU A 59 12.032 9.061 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.185 9.577 -1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.399 10.692 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.133 9.672 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.981 11.100 -3.192 1.00 0.00 H new ATOM 878 N GLY A 60 13.773 8.076 -2.770 1.00 0.00 N ATOM 879 CA GLY A 60 14.832 7.629 -1.885 1.00 0.00 C ATOM 880 C GLY A 60 14.333 6.674 -0.819 1.00 0.00 C ATOM 881 O GLY A 60 14.183 7.054 0.342 1.00 0.00 O ATOM 0 H GLY A 60 14.059 8.228 -3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.609 7.139 -2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.291 8.494 -1.407 1.00 0.00 H new ATOM 885 N ALA A 61 14.073 5.432 -1.213 1.00 0.00 N ATOM 886 CA ALA A 61 13.587 4.421 -0.282 1.00 0.00 C ATOM 887 C ALA A 61 12.261 4.841 0.342 1.00 0.00 C ATOM 888 O ALA A 61 12.044 4.661 1.540 1.00 0.00 O ATOM 889 CB ALA A 61 14.624 4.160 0.801 1.00 0.00 C ATOM 0 H ALA A 61 14.191 5.102 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 61 13.420 3.499 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.248 3.403 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.548 3.807 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.819 5.083 1.348 1.00 0.00 H new ATOM 895 N MET A 62 11.378 5.402 -0.477 1.00 0.00 N ATOM 896 CA MET A 62 10.072 5.847 -0.004 1.00 0.00 C ATOM 897 C MET A 62 8.960 5.327 -0.909 1.00 0.00 C ATOM 898 O MET A 62 9.022 5.470 -2.131 1.00 0.00 O ATOM 899 CB MET A 62 10.023 7.375 0.059 1.00 0.00 C ATOM 900 CG MET A 62 8.776 7.915 0.741 1.00 0.00 C ATOM 901 SD MET A 62 7.412 8.174 -0.408 1.00 0.00 S ATOM 902 CE MET A 62 6.759 9.732 0.186 1.00 0.00 C ATOM 0 H MET A 62 11.543 5.559 -1.471 1.00 0.00 H new ATOM 0 HA MET A 62 9.919 5.444 0.997 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.903 7.737 0.590 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.075 7.774 -0.954 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.463 7.220 1.520 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.015 8.858 1.233 1.00 0.00 H new ATOM 0 HE1 MET A 62 5.676 9.658 0.288 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.199 9.965 1.155 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.003 10.523 -0.523 1.00 0.00 H new ATOM 912 N LEU A 63 7.943 4.724 -0.303 1.00 0.00 N ATOM 913 CA LEU A 63 6.816 4.182 -1.054 1.00 0.00 C ATOM 914 C LEU A 63 5.548 4.988 -0.790 1.00 0.00 C ATOM 915 O LEU A 63 5.364 5.534 0.297 1.00 0.00 O ATOM 916 CB LEU A 63 6.589 2.716 -0.684 1.00 0.00 C ATOM 917 CG LEU A 63 7.628 1.723 -1.205 1.00 0.00 C ATOM 918 CD1 LEU A 63 7.913 1.971 -2.678 1.00 0.00 C ATOM 919 CD2 LEU A 63 8.910 1.815 -0.389 1.00 0.00 C ATOM 0 H LEU A 63 7.876 4.598 0.707 1.00 0.00 H new ATOM 0 HA LEU A 63 7.052 4.249 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.554 2.638 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.610 2.416 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 63 7.225 0.716 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.655 1.255 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.993 1.853 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.295 2.983 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.638 1.101 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.317 2.824 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.694 1.586 0.655 1.00 0.00 H new ATOM 931 N GLU A 64 4.677 5.055 -1.792 1.00 0.00 N ATOM 932 CA GLU A 64 3.426 5.793 -1.666 1.00 0.00 C ATOM 933 C GLU A 64 2.383 5.267 -2.648 1.00 0.00 C ATOM 934 O GLU A 64 2.522 5.421 -3.862 1.00 0.00 O ATOM 935 CB GLU A 64 3.661 7.286 -1.908 1.00 0.00 C ATOM 936 CG GLU A 64 2.445 8.149 -1.619 1.00 0.00 C ATOM 937 CD GLU A 64 1.525 8.281 -2.817 1.00 0.00 C ATOM 938 OE1 GLU A 64 0.809 7.306 -3.126 1.00 0.00 O ATOM 939 OE2 GLU A 64 1.522 9.360 -3.447 1.00 0.00 O ATOM 0 H GLU A 64 4.814 4.608 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 64 3.051 5.651 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.490 7.620 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.963 7.434 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.890 7.720 -0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.774 9.140 -1.307 1.00 0.00 H new ATOM 946 N LEU A 65 1.338 4.643 -2.114 1.00 0.00 N ATOM 947 CA LEU A 65 0.271 4.092 -2.942 1.00 0.00 C ATOM 948 C LEU A 65 -1.082 4.677 -2.547 1.00 0.00 C ATOM 949 O LEU A 65 -1.506 4.566 -1.397 1.00 0.00 O ATOM 950 CB LEU A 65 0.236 2.568 -2.816 1.00 0.00 C ATOM 951 CG LEU A 65 -1.049 1.885 -3.286 1.00 0.00 C ATOM 952 CD1 LEU A 65 -1.226 2.057 -4.786 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.035 0.409 -2.914 1.00 0.00 C ATOM 0 H LEU A 65 1.207 4.506 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 65 0.474 4.360 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.071 2.157 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.402 2.306 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.894 2.357 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.145 1.565 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.282 3.119 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.378 1.611 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.957 -0.061 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.182 -0.077 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.956 0.307 -1.832 1.00 0.00 H new ATOM 965 N VAL A 66 -1.755 5.300 -3.510 1.00 0.00 N ATOM 966 CA VAL A 66 -3.061 5.899 -3.264 1.00 0.00 C ATOM 967 C VAL A 66 -4.171 5.086 -3.920 1.00 0.00 C ATOM 968 O VAL A 66 -4.167 4.875 -5.133 1.00 0.00 O ATOM 969 CB VAL A 66 -3.121 7.347 -3.787 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.553 7.861 -3.771 1.00 0.00 C ATOM 971 CG2 VAL A 66 -2.213 8.248 -2.965 1.00 0.00 C ATOM 0 H VAL A 66 -1.417 5.403 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.209 5.904 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.768 7.358 -4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.576 8.885 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.173 7.229 -4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.937 7.837 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.268 9.267 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.533 8.234 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.186 7.889 -3.033 1.00 0.00 H new ATOM 981 N VAL A 67 -5.123 4.633 -3.110 1.00 0.00 N ATOM 982 CA VAL A 67 -6.242 3.844 -3.612 1.00 0.00 C ATOM 983 C VAL A 67 -7.558 4.599 -3.461 1.00 0.00 C ATOM 984 O VAL A 67 -8.102 4.704 -2.362 1.00 0.00 O ATOM 985 CB VAL A 67 -6.350 2.494 -2.878 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.425 1.625 -3.514 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.007 1.779 -2.877 1.00 0.00 C ATOM 0 H VAL A 67 -5.142 4.799 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.051 3.660 -4.669 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.635 2.685 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.487 0.675 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.386 2.136 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.173 1.440 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.102 0.827 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.690 1.599 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.266 2.398 -2.372 1.00 0.00 H new ATOM 997 N ARG A 68 -8.064 5.122 -4.573 1.00 0.00 N ATOM 998 CA ARG A 68 -9.316 5.868 -4.564 1.00 0.00 C ATOM 999 C ARG A 68 -10.512 4.923 -4.499 1.00 0.00 C ATOM 1000 O ARG A 68 -10.370 3.714 -4.677 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.417 6.751 -5.810 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.420 7.897 -5.827 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.524 8.707 -7.110 1.00 0.00 C ATOM 1004 NE ARG A 68 -8.124 10.098 -6.913 1.00 0.00 N ATOM 1005 CZ ARG A 68 -8.824 10.970 -6.196 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -9.954 10.596 -5.610 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -8.395 12.218 -6.063 1.00 0.00 N ATOM 0 H ARG A 68 -7.626 5.043 -5.491 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.326 6.501 -3.676 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.264 6.134 -6.695 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.426 7.158 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.596 8.547 -4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.409 7.503 -5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.895 8.254 -7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.549 8.673 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.260 10.417 -7.350 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.287 9.637 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.490 11.267 -5.060 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.527 12.509 -6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.934 12.886 -5.512 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.689 5.483 -4.242 1.00 0.00 N ATOM 1022 CA ASN A 69 -12.910 4.690 -4.152 1.00 0.00 C ATOM 1023 C ASN A 69 -12.787 3.623 -3.068 1.00 0.00 C ATOM 1024 O ASN A 69 -12.993 2.436 -3.323 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.215 4.031 -5.499 1.00 0.00 C ATOM 1026 CG ASN A 69 -13.744 5.021 -6.519 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -12.977 5.619 -7.275 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -15.059 5.198 -6.546 1.00 0.00 N ATOM 0 H ASN A 69 -11.824 6.483 -4.092 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.729 5.359 -3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.309 3.564 -5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.947 3.236 -5.354 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.472 5.851 -7.212 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.657 4.681 -5.901 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.449 4.054 -1.857 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.299 3.137 -0.733 1.00 0.00 C ATOM 1037 C LEU A 70 -13.616 2.433 -0.425 1.00 0.00 C ATOM 1038 O LEU A 70 -14.641 3.080 -0.209 1.00 0.00 O ATOM 1039 CB LEU A 70 -11.809 3.891 0.504 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.292 3.982 0.678 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -9.944 4.833 1.889 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.687 2.592 0.809 1.00 0.00 C ATOM 0 H LEU A 70 -12.274 5.033 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.561 2.383 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.212 4.903 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.228 3.410 1.388 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.871 4.458 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.861 4.886 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.345 5.838 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.376 4.386 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.607 2.675 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.114 2.090 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.906 2.014 -0.088 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.581 1.104 -0.405 1.00 0.00 N ATOM 1055 CA ARG A 71 -14.772 0.313 -0.122 1.00 0.00 C ATOM 1056 C ARG A 71 -14.545 -0.601 1.079 1.00 0.00 C ATOM 1057 O ARG A 71 -13.418 -0.984 1.395 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.159 -0.521 -1.345 1.00 0.00 C ATOM 1059 CG ARG A 71 -15.635 0.312 -2.524 1.00 0.00 C ATOM 1060 CD ARG A 71 -17.048 0.828 -2.306 1.00 0.00 C ATOM 1061 NE ARG A 71 -17.585 1.475 -3.501 1.00 0.00 N ATOM 1062 CZ ARG A 71 -17.916 0.818 -4.607 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -17.766 -0.498 -4.669 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -18.397 1.477 -5.653 1.00 0.00 N ATOM 0 H ARG A 71 -12.741 0.553 -0.581 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.586 0.999 0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.300 -1.116 -1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.947 -1.220 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -14.958 1.153 -2.674 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.602 -0.289 -3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.696 -0.000 -2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.051 1.536 -1.478 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.713 2.487 -3.485 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.396 -1.007 -3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.021 -1.001 -5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.513 2.489 -5.609 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.651 0.971 -6.502 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.640 -0.960 1.765 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.586 -1.833 2.942 1.00 0.00 C ATOM 1080 C PRO A 72 -15.221 -3.269 2.582 1.00 0.00 C ATOM 1081 O PRO A 72 -15.137 -4.134 3.453 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.010 -1.766 3.499 1.00 0.00 C ATOM 1083 CG PRO A 72 -17.860 -1.422 2.325 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.015 -0.542 1.446 1.00 0.00 C ATOM 0 HA PRO A 72 -14.821 -1.515 3.651 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.308 -2.718 3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.094 -1.013 4.283 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.172 -2.320 1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.767 -0.905 2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.245 -0.689 0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.174 0.514 1.663 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.006 -3.515 1.294 1.00 0.00 N ATOM 1093 CA GLN A 73 -14.651 -4.848 0.820 1.00 0.00 C ATOM 1094 C GLN A 73 -13.155 -4.945 0.540 1.00 0.00 C ATOM 1095 O GLN A 73 -12.577 -6.032 0.575 1.00 0.00 O ATOM 1096 CB GLN A 73 -15.441 -5.189 -0.445 1.00 0.00 C ATOM 1097 CG GLN A 73 -15.122 -4.286 -1.625 1.00 0.00 C ATOM 1098 CD GLN A 73 -16.168 -4.363 -2.719 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -17.274 -4.859 -2.502 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -15.824 -3.871 -3.903 1.00 0.00 N ATOM 0 H GLN A 73 -15.071 -2.810 0.560 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.903 -5.564 1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -15.236 -6.223 -0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -16.507 -5.124 -0.226 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.040 -3.256 -1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.151 -4.562 -2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.896 -3.469 -4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.487 -3.895 -4.677 1.00 0.00 H new ATOM 1109 N ASP A 74 -12.534 -3.804 0.264 1.00 0.00 N ATOM 1110 CA ASP A 74 -11.105 -3.760 -0.020 1.00 0.00 C ATOM 1111 C ASP A 74 -10.295 -4.205 1.194 1.00 0.00 C ATOM 1112 O ASP A 74 -9.259 -4.855 1.057 1.00 0.00 O ATOM 1113 CB ASP A 74 -10.688 -2.349 -0.437 1.00 0.00 C ATOM 1114 CG ASP A 74 -10.810 -2.127 -1.931 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -11.946 -1.927 -2.411 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -9.770 -2.153 -2.622 1.00 0.00 O ATOM 0 H ASP A 74 -12.998 -2.896 0.231 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.903 -4.447 -0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.307 -1.621 0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.657 -2.172 -0.129 1.00 0.00 H new ATOM 1121 N SER A 75 -10.775 -3.849 2.381 1.00 0.00 N ATOM 1122 CA SER A 75 -10.093 -4.207 3.620 1.00 0.00 C ATOM 1123 C SER A 75 -9.612 -5.654 3.576 1.00 0.00 C ATOM 1124 O SER A 75 -10.378 -6.583 3.831 1.00 0.00 O ATOM 1125 CB SER A 75 -11.024 -4.003 4.816 1.00 0.00 C ATOM 1126 OG SER A 75 -11.514 -2.674 4.861 1.00 0.00 O ATOM 0 H SER A 75 -11.633 -3.313 2.511 1.00 0.00 H new ATOM 0 HA SER A 75 -9.225 -3.557 3.730 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.860 -4.700 4.753 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.490 -4.228 5.739 1.00 0.00 H new ATOM 0 HG SER A 75 -12.226 -2.610 5.532 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.336 -5.838 3.250 1.00 0.00 N ATOM 1133 CA GLY A 76 -7.773 -7.173 3.179 1.00 0.00 C ATOM 1134 C GLY A 76 -6.334 -7.223 3.652 1.00 0.00 C ATOM 1135 O GLY A 76 -5.970 -6.556 4.621 1.00 0.00 O ATOM 0 H GLY A 76 -7.682 -5.086 3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.375 -7.850 3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.827 -7.532 2.151 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.515 -8.015 2.969 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.108 -8.151 3.328 1.00 0.00 C ATOM 1141 C ARG A 77 -3.209 -7.669 2.193 1.00 0.00 C ATOM 1142 O ARG A 77 -2.990 -8.383 1.215 1.00 0.00 O ATOM 1143 CB ARG A 77 -3.785 -9.608 3.666 1.00 0.00 C ATOM 1144 CG ARG A 77 -2.389 -9.805 4.235 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.048 -11.280 4.375 1.00 0.00 C ATOM 1146 NE ARG A 77 -2.475 -11.821 5.663 1.00 0.00 N ATOM 1147 CZ ARG A 77 -1.938 -11.464 6.824 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -0.959 -10.570 6.859 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -2.380 -12.001 7.954 1.00 0.00 N ATOM 0 H ARG A 77 -5.801 -8.572 2.164 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.920 -7.532 4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.517 -9.976 4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.890 -10.213 2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.659 -9.322 3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.320 -9.320 5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.525 -11.840 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.972 -11.415 4.264 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.227 -12.511 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.617 -10.155 5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.549 -10.298 7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.133 -12.689 7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.967 -11.726 8.845 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.692 -6.453 2.331 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.819 -5.874 1.317 1.00 0.00 C ATOM 1165 C TYR A 78 -0.355 -6.180 1.619 1.00 0.00 C ATOM 1166 O TYR A 78 0.111 -5.991 2.742 1.00 0.00 O ATOM 1167 CB TYR A 78 -2.029 -4.361 1.237 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.471 -3.961 1.021 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.350 -3.852 2.092 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.955 -3.691 -0.253 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.669 -3.487 1.899 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.271 -3.324 -0.455 1.00 0.00 C ATOM 1173 CZ TYR A 78 -6.124 -3.224 0.624 1.00 0.00 C ATOM 1174 OH TYR A 78 -7.436 -2.859 0.428 1.00 0.00 O ATOM 0 H TYR A 78 -2.862 -5.849 3.135 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.074 -6.321 0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.668 -3.903 2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.424 -3.961 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.996 -4.056 3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.290 -3.770 -1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.340 -3.408 2.742 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.630 -3.117 -1.452 1.00 0.00 H new ATOM 0 HH TYR A 78 -8.023 -3.601 0.683 1.00 0.00 H new ATOM 1184 N SER A 79 0.365 -6.654 0.607 1.00 0.00 N ATOM 1185 CA SER A 79 1.775 -6.989 0.763 1.00 0.00 C ATOM 1186 C SER A 79 2.586 -6.495 -0.431 1.00 0.00 C ATOM 1187 O SER A 79 2.082 -6.426 -1.552 1.00 0.00 O ATOM 1188 CB SER A 79 1.947 -8.501 0.920 1.00 0.00 C ATOM 1189 OG SER A 79 1.554 -9.184 -0.258 1.00 0.00 O ATOM 0 H SER A 79 -0.005 -6.815 -0.330 1.00 0.00 H new ATOM 0 HA SER A 79 2.144 -6.493 1.661 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.988 -8.730 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.352 -8.852 1.763 1.00 0.00 H new ATOM 0 HG SER A 79 1.675 -10.148 -0.133 1.00 0.00 H new ATOM 1195 N CYS A 80 3.846 -6.154 -0.181 1.00 0.00 N ATOM 1196 CA CYS A 80 4.728 -5.665 -1.235 1.00 0.00 C ATOM 1197 C CYS A 80 6.037 -6.449 -1.255 1.00 0.00 C ATOM 1198 O CYS A 80 6.683 -6.623 -0.222 1.00 0.00 O ATOM 1199 CB CYS A 80 5.014 -4.176 -1.039 1.00 0.00 C ATOM 1200 SG CYS A 80 5.466 -3.305 -2.558 1.00 0.00 S ATOM 0 H CYS A 80 4.279 -6.207 0.741 1.00 0.00 H new ATOM 0 HA CYS A 80 4.225 -5.808 -2.192 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.132 -3.701 -0.609 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.821 -4.064 -0.315 1.00 0.00 H new ATOM 0 HG CYS A 80 5.707 -4.169 -3.499 1.00 0.00 H new ATOM 1206 N SER A 81 6.420 -6.921 -2.437 1.00 0.00 N ATOM 1207 CA SER A 81 7.648 -7.691 -2.591 1.00 0.00 C ATOM 1208 C SER A 81 8.854 -6.767 -2.735 1.00 0.00 C ATOM 1209 O SER A 81 8.902 -5.925 -3.631 1.00 0.00 O ATOM 1210 CB SER A 81 7.549 -8.612 -3.809 1.00 0.00 C ATOM 1211 OG SER A 81 6.454 -9.503 -3.686 1.00 0.00 O ATOM 0 H SER A 81 5.897 -6.783 -3.302 1.00 0.00 H new ATOM 0 HA SER A 81 7.781 -8.298 -1.696 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.436 -8.014 -4.713 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.474 -9.179 -3.916 1.00 0.00 H new ATOM 0 HG SER A 81 6.503 -10.181 -4.392 1.00 0.00 H new ATOM 1217 N PHE A 82 9.827 -6.932 -1.844 1.00 0.00 N ATOM 1218 CA PHE A 82 11.033 -6.113 -1.870 1.00 0.00 C ATOM 1219 C PHE A 82 12.251 -6.925 -1.441 1.00 0.00 C ATOM 1220 O PHE A 82 12.287 -7.478 -0.342 1.00 0.00 O ATOM 1221 CB PHE A 82 10.869 -4.897 -0.955 1.00 0.00 C ATOM 1222 CG PHE A 82 11.673 -3.706 -1.392 1.00 0.00 C ATOM 1223 CD1 PHE A 82 12.990 -3.555 -0.987 1.00 0.00 C ATOM 1224 CD2 PHE A 82 11.113 -2.736 -2.208 1.00 0.00 C ATOM 1225 CE1 PHE A 82 13.731 -2.460 -1.387 1.00 0.00 C ATOM 1226 CE2 PHE A 82 11.849 -1.639 -2.612 1.00 0.00 C ATOM 1227 CZ PHE A 82 13.161 -1.501 -2.201 1.00 0.00 C ATOM 0 H PHE A 82 9.803 -7.625 -1.096 1.00 0.00 H new ATOM 0 HA PHE A 82 11.188 -5.771 -2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.815 -4.620 -0.917 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.163 -5.172 0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.442 -4.302 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.088 -2.839 -2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.756 -2.354 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.400 -0.891 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.739 -0.645 -2.516 1.00 0.00 H new ATOM 1237 N GLY A 83 13.248 -6.994 -2.318 1.00 0.00 N ATOM 1238 CA GLY A 83 14.455 -7.741 -2.013 1.00 0.00 C ATOM 1239 C GLY A 83 14.179 -9.211 -1.763 1.00 0.00 C ATOM 1240 O GLY A 83 13.956 -9.975 -2.702 1.00 0.00 O ATOM 0 H GLY A 83 13.242 -6.546 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 83 15.159 -7.642 -2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.933 -7.310 -1.134 1.00 0.00 H new ATOM 1244 N ASP A 84 14.194 -9.607 -0.496 1.00 0.00 N ATOM 1245 CA ASP A 84 13.944 -10.995 -0.126 1.00 0.00 C ATOM 1246 C ASP A 84 12.785 -11.094 0.861 1.00 0.00 C ATOM 1247 O ASP A 84 12.019 -12.057 0.838 1.00 0.00 O ATOM 1248 CB ASP A 84 15.202 -11.618 0.482 1.00 0.00 C ATOM 1249 CG ASP A 84 15.470 -11.125 1.891 1.00 0.00 C ATOM 1250 OD1 ASP A 84 15.402 -9.898 2.112 1.00 0.00 O ATOM 1251 OD2 ASP A 84 15.747 -11.966 2.771 1.00 0.00 O ATOM 0 H ASP A 84 14.377 -8.987 0.293 1.00 0.00 H new ATOM 0 HA ASP A 84 13.677 -11.543 -1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.097 -12.703 0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 84 16.060 -11.387 -0.150 1.00 0.00 H new ATOM 1256 N GLN A 85 12.664 -10.093 1.727 1.00 0.00 N ATOM 1257 CA GLN A 85 11.600 -10.069 2.723 1.00 0.00 C ATOM 1258 C GLN A 85 10.316 -9.495 2.133 1.00 0.00 C ATOM 1259 O GLN A 85 10.345 -8.777 1.133 1.00 0.00 O ATOM 1260 CB GLN A 85 12.029 -9.247 3.939 1.00 0.00 C ATOM 1261 CG GLN A 85 12.847 -10.036 4.949 1.00 0.00 C ATOM 1262 CD GLN A 85 11.990 -10.926 5.827 1.00 0.00 C ATOM 1263 OE1 GLN A 85 11.149 -11.679 5.336 1.00 0.00 O ATOM 1264 NE2 GLN A 85 12.200 -10.845 7.136 1.00 0.00 N ATOM 0 H GLN A 85 13.290 -9.288 1.759 1.00 0.00 H new ATOM 0 HA GLN A 85 11.407 -11.095 3.037 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.613 -8.391 3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.141 -8.852 4.432 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.577 -10.649 4.420 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.407 -9.344 5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.908 -10.207 7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.654 -11.421 7.777 1.00 0.00 H new ATOM 1273 N THR A 86 9.188 -9.815 2.760 1.00 0.00 N ATOM 1274 CA THR A 86 7.893 -9.332 2.297 1.00 0.00 C ATOM 1275 C THR A 86 7.097 -8.712 3.439 1.00 0.00 C ATOM 1276 O THR A 86 7.043 -9.258 4.542 1.00 0.00 O ATOM 1277 CB THR A 86 7.064 -10.465 1.664 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.790 -11.058 0.582 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.728 -9.942 1.159 1.00 0.00 C ATOM 0 H THR A 86 9.145 -10.407 3.590 1.00 0.00 H new ATOM 0 HA THR A 86 8.091 -8.572 1.542 1.00 0.00 H new ATOM 0 HB THR A 86 6.875 -11.218 2.430 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.257 -11.779 0.186 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.161 -10.761 0.716 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.165 -9.519 1.991 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.900 -9.171 0.407 1.00 0.00 H new ATOM 1287 N THR A 87 6.477 -7.567 3.170 1.00 0.00 N ATOM 1288 CA THR A 87 5.683 -6.872 4.176 1.00 0.00 C ATOM 1289 C THR A 87 4.205 -7.217 4.044 1.00 0.00 C ATOM 1290 O THR A 87 3.761 -7.703 3.003 1.00 0.00 O ATOM 1291 CB THR A 87 5.854 -5.345 4.070 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.098 -4.695 5.097 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.403 -4.843 2.706 1.00 0.00 C ATOM 0 H THR A 87 6.510 -7.101 2.263 1.00 0.00 H new ATOM 0 HA THR A 87 6.045 -7.204 5.149 1.00 0.00 H new ATOM 0 HB THR A 87 6.911 -5.111 4.194 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.552 -3.984 4.701 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.533 -3.762 2.655 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.001 -5.318 1.928 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.352 -5.089 2.557 1.00 0.00 H new ATOM 1301 N SER A 88 3.445 -6.962 5.104 1.00 0.00 N ATOM 1302 CA SER A 88 2.015 -7.248 5.108 1.00 0.00 C ATOM 1303 C SER A 88 1.285 -6.359 6.110 1.00 0.00 C ATOM 1304 O SER A 88 1.725 -6.197 7.248 1.00 0.00 O ATOM 1305 CB SER A 88 1.770 -8.721 5.441 1.00 0.00 C ATOM 1306 OG SER A 88 0.561 -9.180 4.862 1.00 0.00 O ATOM 0 H SER A 88 3.796 -6.557 5.972 1.00 0.00 H new ATOM 0 HA SER A 88 1.624 -7.038 4.112 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.603 -9.323 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.731 -8.851 6.523 1.00 0.00 H new ATOM 0 HG SER A 88 0.727 -10.014 4.375 1.00 0.00 H new ATOM 1312 N ALA A 89 0.167 -5.786 5.678 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.626 -4.915 6.537 1.00 0.00 C ATOM 1314 C ALA A 89 -2.115 -5.062 6.243 1.00 0.00 C ATOM 1315 O ALA A 89 -2.509 -5.764 5.310 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.192 -3.467 6.365 1.00 0.00 C ATOM 0 H ALA A 89 -0.210 -5.909 4.738 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.456 -5.213 7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.793 -2.828 7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.860 -3.368 6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.332 -3.166 5.327 1.00 0.00 H new ATOM 1322 N THR A 90 -2.941 -4.396 7.044 1.00 0.00 N ATOM 1323 CA THR A 90 -4.387 -4.454 6.871 1.00 0.00 C ATOM 1324 C THR A 90 -5.002 -3.060 6.911 1.00 0.00 C ATOM 1325 O THR A 90 -4.532 -2.184 7.640 1.00 0.00 O ATOM 1326 CB THR A 90 -5.048 -5.326 7.955 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.475 -6.639 7.945 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.550 -5.421 7.731 1.00 0.00 C ATOM 0 H THR A 90 -2.633 -3.810 7.820 1.00 0.00 H new ATOM 0 HA THR A 90 -4.571 -4.901 5.894 1.00 0.00 H new ATOM 0 HB THR A 90 -4.870 -4.860 8.924 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.899 -7.186 8.638 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.995 -6.042 8.509 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.987 -4.423 7.768 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.745 -5.866 6.755 1.00 0.00 H new ATOM 1336 N LEU A 91 -6.054 -2.860 6.126 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.734 -1.570 6.072 1.00 0.00 C ATOM 1338 C LEU A 91 -8.134 -1.668 6.672 1.00 0.00 C ATOM 1339 O LEU A 91 -8.800 -2.697 6.558 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.820 -1.076 4.627 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.796 0.072 4.367 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -7.427 1.287 5.205 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.819 0.428 2.888 1.00 0.00 C ATOM 0 H LEU A 91 -6.455 -3.574 5.518 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.155 -0.857 6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.826 -0.759 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.102 -1.917 3.993 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.795 -0.253 4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.133 2.094 5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.464 1.025 6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.420 1.614 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.519 1.247 2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.822 0.733 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.133 -0.441 2.309 1.00 0.00 H new ATOM 1355 N THR A 92 -8.575 -0.589 7.311 1.00 0.00 N ATOM 1356 CA THR A 92 -9.895 -0.552 7.927 1.00 0.00 C ATOM 1357 C THR A 92 -10.794 0.470 7.241 1.00 0.00 C ATOM 1358 O THR A 92 -10.476 1.659 7.194 1.00 0.00 O ATOM 1359 CB THR A 92 -9.805 -0.214 9.428 1.00 0.00 C ATOM 1360 OG1 THR A 92 -8.960 -1.159 10.093 1.00 0.00 O ATOM 1361 CG2 THR A 92 -11.185 -0.221 10.068 1.00 0.00 C ATOM 0 H THR A 92 -8.037 0.271 7.415 1.00 0.00 H new ATOM 0 HA THR A 92 -10.326 -1.546 7.811 1.00 0.00 H new ATOM 0 HB THR A 92 -9.381 0.785 9.528 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.907 -0.936 11.046 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.096 0.020 11.127 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.817 0.520 9.579 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.632 -1.209 9.957 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.919 0.001 6.711 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.866 0.875 6.029 1.00 0.00 C ATOM 1371 C VAL A 93 -14.278 0.685 6.571 1.00 0.00 C ATOM 1372 O VAL A 93 -14.876 -0.381 6.420 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.872 0.618 4.510 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -14.012 1.375 3.845 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.535 1.007 3.898 1.00 0.00 C ATOM 0 H VAL A 93 -12.197 -0.980 6.741 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.543 1.899 6.216 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.027 -0.448 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.000 1.181 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.962 1.043 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.891 2.444 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.558 0.819 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.347 2.066 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.741 0.416 4.353 1.00 0.00 H new ATOM 1385 N THR A 94 -14.807 1.727 7.204 1.00 0.00 N ATOM 1386 CA THR A 94 -16.150 1.676 7.770 1.00 0.00 C ATOM 1387 C THR A 94 -17.183 2.208 6.784 1.00 0.00 C ATOM 1388 O THR A 94 -16.967 3.233 6.137 1.00 0.00 O ATOM 1389 CB THR A 94 -16.239 2.487 9.077 1.00 0.00 C ATOM 1390 OG1 THR A 94 -15.258 2.021 10.010 1.00 0.00 O ATOM 1391 CG2 THR A 94 -17.626 2.371 9.692 1.00 0.00 C ATOM 0 H THR A 94 -14.326 2.617 7.338 1.00 0.00 H new ATOM 0 HA THR A 94 -16.363 0.629 7.985 1.00 0.00 H new ATOM 0 HB THR A 94 -16.049 3.534 8.843 1.00 0.00 H new ATOM 0 HG1 THR A 94 -15.320 2.542 10.837 1.00 0.00 H new ATOM 0 HG21 THR A 94 -17.665 2.952 10.614 1.00 0.00 H new ATOM 0 HG22 THR A 94 -18.368 2.753 8.991 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.840 1.325 9.913 1.00 0.00 H new ATOM 1399 N ALA A 95 -18.306 1.506 6.674 1.00 0.00 N ATOM 1400 CA ALA A 95 -19.374 1.910 5.768 1.00 0.00 C ATOM 1401 C ALA A 95 -20.109 3.136 6.299 1.00 0.00 C ATOM 1402 O ALA A 95 -20.655 3.116 7.403 1.00 0.00 O ATOM 1403 CB ALA A 95 -20.347 0.760 5.554 1.00 0.00 C ATOM 0 H ALA A 95 -18.500 0.655 7.201 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.925 2.174 4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -21.140 1.075 4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.817 -0.090 5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.782 0.469 6.510 1.00 0.00 H new ATOM 1409 N LEU A 96 -20.119 4.203 5.506 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.787 5.439 5.897 1.00 0.00 C ATOM 1411 C LEU A 96 -22.188 5.156 6.431 1.00 0.00 C ATOM 1412 O LEU A 96 -22.852 4.202 6.027 1.00 0.00 O ATOM 1413 CB LEU A 96 -20.868 6.396 4.706 1.00 0.00 C ATOM 1414 CG LEU A 96 -19.536 6.772 4.056 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -19.735 7.107 2.586 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -18.895 7.941 4.789 1.00 0.00 C ATOM 0 H LEU A 96 -19.672 4.236 4.590 1.00 0.00 H new ATOM 0 HA LEU A 96 -20.202 5.903 6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -21.506 5.945 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -21.361 7.311 5.034 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.866 5.915 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.776 7.372 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.149 6.242 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -20.423 7.948 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.948 8.194 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.562 8.803 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.715 7.665 5.828 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.649 6.006 7.361 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.976 5.870 7.969 1.00 0.00 C ATOM 1430 C PRO A 97 -25.099 6.181 6.985 1.00 0.00 C ATOM 1431 O PRO A 97 -24.962 7.054 6.128 1.00 0.00 O ATOM 1432 CB PRO A 97 -23.955 6.900 9.101 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.956 7.917 8.669 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.912 7.166 7.889 1.00 0.00 C ATOM 0 HA PRO A 97 -24.168 4.851 8.306 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.938 7.348 9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -23.669 6.442 10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.423 8.687 8.055 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.514 8.420 9.529 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.494 7.775 7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -21.080 6.859 8.523 1.00 0.00 H new ATOM 1442 N SER A 98 -26.210 5.462 7.116 1.00 0.00 N ATOM 1443 CA SER A 98 -27.356 5.660 6.236 1.00 0.00 C ATOM 1444 C SER A 98 -28.344 6.650 6.845 1.00 0.00 C ATOM 1445 O SER A 98 -28.850 7.539 6.162 1.00 0.00 O ATOM 1446 CB SER A 98 -28.054 4.326 5.966 1.00 0.00 C ATOM 1447 OG SER A 98 -27.342 3.563 5.007 1.00 0.00 O ATOM 0 H SER A 98 -26.340 4.738 7.822 1.00 0.00 H new ATOM 0 HA SER A 98 -26.993 6.070 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 98 -28.138 3.762 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.068 4.508 5.610 1.00 0.00 H new ATOM 0 HG SER A 98 -27.807 2.714 4.853 1.00 0.00 H new ATOM 1453 N GLY A 99 -28.614 6.488 8.137 1.00 0.00 N ATOM 1454 CA GLY A 99 -29.540 7.374 8.818 1.00 0.00 C ATOM 1455 C GLY A 99 -28.832 8.429 9.644 1.00 0.00 C ATOM 1456 O GLY A 99 -28.470 9.497 9.149 1.00 0.00 O ATOM 0 H GLY A 99 -28.208 5.759 8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -30.179 7.862 8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -30.191 6.786 9.466 1.00 0.00 H new ATOM 1460 N PRO A 100 -28.627 8.135 10.937 1.00 0.00 N ATOM 1461 CA PRO A 100 -27.957 9.054 11.861 1.00 0.00 C ATOM 1462 C PRO A 100 -26.470 9.202 11.557 1.00 0.00 C ATOM 1463 O PRO A 100 -25.730 8.218 11.539 1.00 0.00 O ATOM 1464 CB PRO A 100 -28.161 8.394 13.227 1.00 0.00 C ATOM 1465 CG PRO A 100 -28.336 6.946 12.926 1.00 0.00 C ATOM 1466 CD PRO A 100 -29.032 6.881 11.595 1.00 0.00 C ATOM 0 HA PRO A 100 -28.361 10.064 11.795 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -27.304 8.562 13.880 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -29.034 8.801 13.737 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -27.373 6.436 12.888 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -28.927 6.455 13.700 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -28.722 6.008 11.021 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -30.114 6.819 11.710 1.00 0.00 H new ATOM 1474 N SER A 101 -26.039 10.436 11.319 1.00 0.00 N ATOM 1475 CA SER A 101 -24.640 10.711 11.012 1.00 0.00 C ATOM 1476 C SER A 101 -23.850 10.996 12.286 1.00 0.00 C ATOM 1477 O SER A 101 -24.422 11.121 13.369 1.00 0.00 O ATOM 1478 CB SER A 101 -24.530 11.900 10.055 1.00 0.00 C ATOM 1479 OG SER A 101 -24.658 11.482 8.707 1.00 0.00 O ATOM 0 H SER A 101 -26.638 11.261 11.333 1.00 0.00 H new ATOM 0 HA SER A 101 -24.219 9.827 10.533 1.00 0.00 H new ATOM 0 HB2 SER A 101 -25.304 12.631 10.288 1.00 0.00 H new ATOM 0 HB3 SER A 101 -23.570 12.397 10.196 1.00 0.00 H new ATOM 0 HG SER A 101 -24.586 12.260 8.115 1.00 0.00 H new ATOM 1485 N SER A 102 -22.532 11.096 12.148 1.00 0.00 N ATOM 1486 CA SER A 102 -21.662 11.361 13.287 1.00 0.00 C ATOM 1487 C SER A 102 -20.255 11.725 12.823 1.00 0.00 C ATOM 1488 O SER A 102 -19.923 11.590 11.646 1.00 0.00 O ATOM 1489 CB SER A 102 -21.608 10.142 14.210 1.00 0.00 C ATOM 1490 OG SER A 102 -21.203 8.984 13.501 1.00 0.00 O ATOM 0 H SER A 102 -22.043 10.997 11.258 1.00 0.00 H new ATOM 0 HA SER A 102 -22.074 12.206 13.838 1.00 0.00 H new ATOM 0 HB2 SER A 102 -20.914 10.332 15.029 1.00 0.00 H new ATOM 0 HB3 SER A 102 -22.589 9.975 14.655 1.00 0.00 H new ATOM 0 HG SER A 102 -21.175 8.219 14.113 1.00 0.00 H new ATOM 1496 N GLY A 103 -19.430 12.187 13.758 1.00 0.00 N ATOM 1497 CA GLY A 103 -18.068 12.563 13.427 1.00 0.00 C ATOM 1498 C GLY A 103 -18.008 13.662 12.384 1.00 0.00 C ATOM 1499 O GLY A 103 -17.447 13.472 11.305 1.00 0.00 O ATOM 0 H GLY A 103 -19.681 12.308 14.739 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.556 12.895 14.330 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.532 11.688 13.060 1.00 0.00 H new TER 1503 GLY A 103