USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 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= 1.66 K(o=3.8,f=-3.6!) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 137:sc= 2.18 (180deg=1.12) USER MOD Set 2.1: A 37 ASN : amide:sc= 0.959 K(o=0.88,f=-0.0048) USER MOD Set 2.2: A 59 ASN : amide:sc= -0.0807 X(o=0.88,f=1) USER MOD Set 3.1: A 1 SER N :NH3+ -179:sc= 0.633 (180deg=0) USER MOD Set 3.2: A 10 SER OG : rot 137:sc= 1.12 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 175:sc= 0 (180deg=-0.0397) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 100:sc= 1.05 USER MOD Single : A 22 ASN : amide:sc=-0.00589 K(o=-0.0059,f=-0.95) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot -165:sc= 0.454 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.355 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.301 18.706 -46.595 1.00 0.00 N ATOM 2 CA SER A 1 -0.416 17.452 -46.255 1.00 0.00 C ATOM 3 C SER A 1 -1.604 17.680 -45.315 1.00 0.00 C ATOM 4 O SER A 1 -2.743 17.432 -45.708 1.00 0.00 O ATOM 5 CB SER A 1 0.536 16.388 -45.699 1.00 0.00 C ATOM 6 OG SER A 1 1.634 16.238 -46.585 1.00 0.00 O ATOM 0 H1 SER A 1 1.083 18.493 -47.246 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.357 19.370 -47.050 1.00 0.00 H new ATOM 0 H3 SER A 1 0.680 19.135 -45.727 1.00 0.00 H new ATOM 0 HA SER A 1 -0.828 17.077 -47.192 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.888 16.679 -44.710 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.013 15.439 -45.584 1.00 0.00 H new ATOM 0 HG SER A 1 2.248 15.560 -46.234 1.00 0.00 H new ATOM 14 N MET A 2 -1.377 18.150 -44.077 1.00 0.00 N ATOM 15 CA MET A 2 -2.417 18.302 -43.037 1.00 0.00 C ATOM 16 C MET A 2 -3.199 19.634 -43.099 1.00 0.00 C ATOM 17 O MET A 2 -4.249 19.746 -42.462 1.00 0.00 O ATOM 18 CB MET A 2 -1.771 18.145 -41.647 1.00 0.00 C ATOM 19 CG MET A 2 -1.198 16.740 -41.420 1.00 0.00 C ATOM 20 SD MET A 2 -0.422 16.481 -39.798 1.00 0.00 S ATOM 21 CE MET A 2 -1.879 16.486 -38.717 1.00 0.00 C ATOM 0 H MET A 2 -0.451 18.441 -43.762 1.00 0.00 H new ATOM 0 HA MET A 2 -3.152 17.519 -43.226 1.00 0.00 H new ATOM 0 HB2 MET A 2 -0.975 18.881 -41.535 1.00 0.00 H new ATOM 0 HB3 MET A 2 -2.514 18.359 -40.879 1.00 0.00 H new ATOM 0 HG2 MET A 2 -2.000 16.012 -41.543 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.460 16.535 -42.196 1.00 0.00 H new ATOM 0 HE1 MET A 2 -1.576 16.249 -37.697 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.344 17.472 -38.738 1.00 0.00 H new ATOM 0 HE3 MET A 2 -2.593 15.740 -39.066 1.00 0.00 H new ATOM 31 N ALA A 3 -2.700 20.617 -43.862 1.00 0.00 N ATOM 32 CA ALA A 3 -3.053 22.047 -43.814 1.00 0.00 C ATOM 33 C ALA A 3 -2.748 22.732 -42.457 1.00 0.00 C ATOM 34 O ALA A 3 -2.737 22.094 -41.401 1.00 0.00 O ATOM 35 CB ALA A 3 -4.482 22.281 -44.327 1.00 0.00 C ATOM 0 H ALA A 3 -1.995 20.425 -44.574 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.382 22.558 -44.505 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.716 23.345 -44.280 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.559 21.937 -45.359 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.187 21.727 -43.707 1.00 0.00 H new ATOM 41 N ASP A 4 -2.476 24.045 -42.503 1.00 0.00 N ATOM 42 CA ASP A 4 -1.831 24.834 -41.430 1.00 0.00 C ATOM 43 C ASP A 4 -0.426 24.297 -41.032 1.00 0.00 C ATOM 44 O ASP A 4 0.011 23.235 -41.493 1.00 0.00 O ATOM 45 CB ASP A 4 -2.817 25.004 -40.248 1.00 0.00 C ATOM 46 CG ASP A 4 -2.452 26.115 -39.249 1.00 0.00 C ATOM 47 OD1 ASP A 4 -1.639 27.006 -39.587 1.00 0.00 O ATOM 48 OD2 ASP A 4 -2.970 26.086 -38.107 1.00 0.00 O ATOM 0 H ASP A 4 -2.706 24.613 -43.318 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.611 25.831 -41.811 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.809 25.209 -40.649 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.881 24.059 -39.709 1.00 0.00 H new ATOM 53 N ARG A 5 0.326 25.031 -40.200 1.00 0.00 N ATOM 54 CA ARG A 5 1.614 24.562 -39.644 1.00 0.00 C ATOM 55 C ARG A 5 1.390 23.479 -38.582 1.00 0.00 C ATOM 56 O ARG A 5 0.571 23.660 -37.680 1.00 0.00 O ATOM 57 CB ARG A 5 2.515 25.735 -39.190 1.00 0.00 C ATOM 58 CG ARG A 5 1.923 26.735 -38.177 1.00 0.00 C ATOM 59 CD ARG A 5 2.056 26.336 -36.696 1.00 0.00 C ATOM 60 NE ARG A 5 1.071 27.058 -35.863 1.00 0.00 N ATOM 61 CZ ARG A 5 -0.237 26.852 -35.858 1.00 0.00 C ATOM 62 NH1 ARG A 5 -0.777 25.823 -36.438 1.00 0.00 N ATOM 63 NH2 ARG A 5 -1.044 27.695 -35.284 1.00 0.00 N ATOM 0 H ARG A 5 0.063 25.967 -39.890 1.00 0.00 H new ATOM 0 HA ARG A 5 2.181 24.080 -40.441 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.422 25.314 -38.757 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.814 26.292 -40.078 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.408 27.700 -38.320 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.866 26.873 -38.404 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.909 25.261 -36.590 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.065 26.555 -36.346 1.00 0.00 H new ATOM 0 HE ARG A 5 1.431 27.778 -35.237 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.189 25.141 -36.918 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.789 25.697 -36.414 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.672 28.529 -34.829 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.049 27.522 -35.289 1.00 0.00 H new ATOM 77 N VAL A 6 2.115 22.365 -38.692 1.00 0.00 N ATOM 78 CA VAL A 6 2.075 21.204 -37.776 1.00 0.00 C ATOM 79 C VAL A 6 3.482 20.592 -37.691 1.00 0.00 C ATOM 80 O VAL A 6 4.217 20.592 -38.679 1.00 0.00 O ATOM 81 CB VAL A 6 1.056 20.128 -38.242 1.00 0.00 C ATOM 82 CG1 VAL A 6 0.814 19.077 -37.145 1.00 0.00 C ATOM 83 CG2 VAL A 6 -0.327 20.691 -38.601 1.00 0.00 C ATOM 0 H VAL A 6 2.780 22.233 -39.454 1.00 0.00 H new ATOM 0 HA VAL A 6 1.750 21.551 -36.795 1.00 0.00 H new ATOM 0 HB VAL A 6 1.515 19.698 -39.132 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.096 18.338 -37.501 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.754 18.582 -36.902 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.420 19.565 -36.254 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.980 19.878 -38.916 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.757 21.184 -37.729 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.227 21.412 -39.413 1.00 0.00 H new ATOM 93 N LEU A 7 3.863 20.033 -36.535 1.00 0.00 N ATOM 94 CA LEU A 7 5.159 19.371 -36.316 1.00 0.00 C ATOM 95 C LEU A 7 5.252 17.933 -36.884 1.00 0.00 C ATOM 96 O LEU A 7 6.259 17.252 -36.683 1.00 0.00 O ATOM 97 CB LEU A 7 5.540 19.469 -34.822 1.00 0.00 C ATOM 98 CG LEU A 7 4.768 18.553 -33.849 1.00 0.00 C ATOM 99 CD1 LEU A 7 5.439 18.583 -32.475 1.00 0.00 C ATOM 100 CD2 LEU A 7 3.296 18.930 -33.656 1.00 0.00 C ATOM 0 H LEU A 7 3.267 20.027 -35.707 1.00 0.00 H new ATOM 0 HA LEU A 7 5.904 19.910 -36.902 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.603 19.248 -34.727 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.399 20.501 -34.502 1.00 0.00 H new ATOM 0 HG LEU A 7 4.793 17.562 -34.303 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.893 17.936 -31.789 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.467 18.232 -32.564 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.436 19.603 -32.091 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.831 18.235 -32.957 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.229 19.943 -33.259 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.779 18.881 -34.615 1.00 0.00 H new ATOM 112 N ARG A 8 4.204 17.476 -37.583 1.00 0.00 N ATOM 113 CA ARG A 8 4.025 16.154 -38.219 1.00 0.00 C ATOM 114 C ARG A 8 3.433 16.323 -39.628 1.00 0.00 C ATOM 115 O ARG A 8 3.051 17.434 -40.002 1.00 0.00 O ATOM 116 CB ARG A 8 3.084 15.279 -37.358 1.00 0.00 C ATOM 117 CG ARG A 8 3.477 15.098 -35.884 1.00 0.00 C ATOM 118 CD ARG A 8 4.807 14.353 -35.680 1.00 0.00 C ATOM 119 NE ARG A 8 5.190 14.324 -34.254 1.00 0.00 N ATOM 120 CZ ARG A 8 4.669 13.565 -33.306 1.00 0.00 C ATOM 121 NH1 ARG A 8 3.775 12.651 -33.545 1.00 0.00 N ATOM 122 NH2 ARG A 8 5.015 13.704 -32.063 1.00 0.00 N ATOM 0 H ARG A 8 3.388 18.069 -37.734 1.00 0.00 H new ATOM 0 HA ARG A 8 4.996 15.666 -38.298 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.085 15.714 -37.394 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.019 14.293 -37.818 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.546 16.079 -35.413 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.684 14.553 -35.371 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.717 13.334 -36.056 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.592 14.839 -36.260 1.00 0.00 H new ATOM 0 HE ARG A 8 5.937 14.958 -33.970 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.447 12.496 -34.498 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.402 12.090 -32.779 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.702 14.411 -31.801 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.600 13.107 -31.348 1.00 0.00 H new ATOM 136 N GLY A 9 3.320 15.232 -40.392 1.00 0.00 N ATOM 137 CA GLY A 9 2.613 15.172 -41.682 1.00 0.00 C ATOM 138 C GLY A 9 3.214 16.083 -42.758 1.00 0.00 C ATOM 139 O GLY A 9 4.108 15.668 -43.498 1.00 0.00 O ATOM 0 H GLY A 9 3.730 14.337 -40.124 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.622 14.144 -42.043 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.570 15.447 -41.527 1.00 0.00 H new ATOM 143 N SER A 10 2.740 17.333 -42.831 1.00 0.00 N ATOM 144 CA SER A 10 3.330 18.397 -43.662 1.00 0.00 C ATOM 145 C SER A 10 4.805 18.665 -43.316 1.00 0.00 C ATOM 146 O SER A 10 5.593 19.000 -44.203 1.00 0.00 O ATOM 147 CB SER A 10 2.543 19.698 -43.479 1.00 0.00 C ATOM 148 OG SER A 10 1.187 19.535 -43.874 1.00 0.00 O ATOM 0 H SER A 10 1.922 17.642 -42.306 1.00 0.00 H new ATOM 0 HA SER A 10 3.280 18.054 -44.695 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.586 20.009 -42.435 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.004 20.491 -44.068 1.00 0.00 H new ATOM 0 HG SER A 10 0.601 19.968 -43.218 1.00 0.00 H new ATOM 154 N ARG A 11 5.196 18.459 -42.047 1.00 0.00 N ATOM 155 CA ARG A 11 6.596 18.314 -41.612 1.00 0.00 C ATOM 156 C ARG A 11 6.947 16.826 -41.504 1.00 0.00 C ATOM 157 O ARG A 11 6.325 16.098 -40.730 1.00 0.00 O ATOM 158 CB ARG A 11 6.806 19.067 -40.286 1.00 0.00 C ATOM 159 CG ARG A 11 8.279 19.066 -39.845 1.00 0.00 C ATOM 160 CD ARG A 11 8.463 19.820 -38.523 1.00 0.00 C ATOM 161 NE ARG A 11 9.882 19.862 -38.116 1.00 0.00 N ATOM 162 CZ ARG A 11 10.792 20.758 -38.457 1.00 0.00 C ATOM 163 NH1 ARG A 11 10.524 21.763 -39.244 1.00 0.00 N ATOM 164 NH2 ARG A 11 12.011 20.659 -38.009 1.00 0.00 N ATOM 0 H ARG A 11 4.531 18.387 -41.277 1.00 0.00 H new ATOM 0 HA ARG A 11 7.270 18.756 -42.346 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.462 20.095 -40.396 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.195 18.608 -39.509 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.627 18.039 -39.732 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.893 19.528 -40.618 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.083 20.836 -38.627 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.874 19.338 -37.743 1.00 0.00 H new ATOM 0 HE ARG A 11 10.196 19.112 -37.500 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.583 21.879 -39.621 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.255 22.433 -39.483 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.267 19.888 -37.392 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.710 21.353 -38.275 1.00 0.00 H new ATOM 178 N LEU A 12 7.943 16.378 -42.268 1.00 0.00 N ATOM 179 CA LEU A 12 8.373 14.974 -42.304 1.00 0.00 C ATOM 180 C LEU A 12 9.182 14.604 -41.046 1.00 0.00 C ATOM 181 O LEU A 12 9.973 15.407 -40.541 1.00 0.00 O ATOM 182 CB LEU A 12 9.174 14.687 -43.593 1.00 0.00 C ATOM 183 CG LEU A 12 8.328 14.463 -44.864 1.00 0.00 C ATOM 184 CD1 LEU A 12 7.548 15.698 -45.324 1.00 0.00 C ATOM 185 CD2 LEU A 12 9.248 14.043 -46.013 1.00 0.00 C ATOM 0 H LEU A 12 8.482 16.983 -42.887 1.00 0.00 H new ATOM 0 HA LEU A 12 7.482 14.346 -42.312 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.853 15.521 -43.772 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.791 13.804 -43.428 1.00 0.00 H new ATOM 0 HG LEU A 12 7.601 13.693 -44.606 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.980 15.456 -46.222 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.864 16.011 -44.535 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.244 16.508 -45.542 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.655 13.883 -46.914 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.983 14.827 -46.196 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.762 13.119 -45.748 1.00 0.00 H new ATOM 197 N GLY A 13 9.005 13.374 -40.556 1.00 0.00 N ATOM 198 CA GLY A 13 9.709 12.837 -39.385 1.00 0.00 C ATOM 199 C GLY A 13 9.135 11.509 -38.871 1.00 0.00 C ATOM 200 O GLY A 13 8.066 11.068 -39.302 1.00 0.00 O ATOM 0 H GLY A 13 8.354 12.708 -40.971 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.759 12.694 -39.638 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.672 13.573 -38.582 1.00 0.00 H new ATOM 204 N ALA A 14 9.854 10.881 -37.937 1.00 0.00 N ATOM 205 CA ALA A 14 9.504 9.605 -37.296 1.00 0.00 C ATOM 206 C ALA A 14 9.797 9.626 -35.775 1.00 0.00 C ATOM 207 O ALA A 14 10.269 8.644 -35.194 1.00 0.00 O ATOM 208 CB ALA A 14 10.224 8.474 -38.048 1.00 0.00 C ATOM 0 H ALA A 14 10.734 11.262 -37.590 1.00 0.00 H new ATOM 0 HA ALA A 14 8.430 9.430 -37.364 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.978 7.517 -37.588 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.904 8.469 -39.090 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.301 8.633 -38.000 1.00 0.00 H new ATOM 214 N VAL A 15 9.578 10.782 -35.138 1.00 0.00 N ATOM 215 CA VAL A 15 9.972 11.072 -33.745 1.00 0.00 C ATOM 216 C VAL A 15 9.094 10.386 -32.691 1.00 0.00 C ATOM 217 O VAL A 15 7.900 10.155 -32.895 1.00 0.00 O ATOM 218 CB VAL A 15 10.059 12.591 -33.480 1.00 0.00 C ATOM 219 CG1 VAL A 15 11.157 13.238 -34.331 1.00 0.00 C ATOM 220 CG2 VAL A 15 8.740 13.337 -33.733 1.00 0.00 C ATOM 0 H VAL A 15 9.108 11.568 -35.587 1.00 0.00 H new ATOM 0 HA VAL A 15 10.967 10.640 -33.637 1.00 0.00 H new ATOM 0 HB VAL A 15 10.295 12.681 -32.420 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.195 14.307 -34.124 1.00 0.00 H new ATOM 0 HG12 VAL A 15 12.119 12.787 -34.088 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.939 13.081 -35.387 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.877 14.398 -33.526 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.441 13.205 -34.773 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.965 12.937 -33.079 1.00 0.00 H new ATOM 230 N SER A 16 9.708 10.107 -31.538 1.00 0.00 N ATOM 231 CA SER A 16 9.097 9.471 -30.365 1.00 0.00 C ATOM 232 C SER A 16 9.574 10.161 -29.089 1.00 0.00 C ATOM 233 O SER A 16 10.778 10.192 -28.829 1.00 0.00 O ATOM 234 CB SER A 16 9.456 7.979 -30.327 1.00 0.00 C ATOM 235 OG SER A 16 8.930 7.276 -31.446 1.00 0.00 O ATOM 0 H SER A 16 10.692 10.329 -31.389 1.00 0.00 H new ATOM 0 HA SER A 16 8.014 9.569 -30.434 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.540 7.867 -30.306 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.072 7.537 -29.408 1.00 0.00 H new ATOM 0 HG SER A 16 9.181 6.331 -31.386 1.00 0.00 H new ATOM 241 N TYR A 17 8.724 10.791 -28.276 1.00 0.00 N ATOM 242 CA TYR A 17 7.250 10.858 -28.192 1.00 0.00 C ATOM 243 C TYR A 17 6.483 9.564 -27.891 1.00 0.00 C ATOM 244 O TYR A 17 6.724 8.501 -28.464 1.00 0.00 O ATOM 245 CB TYR A 17 6.579 11.601 -29.363 1.00 0.00 C ATOM 246 CG TYR A 17 6.873 13.074 -29.432 1.00 0.00 C ATOM 247 CD1 TYR A 17 8.012 13.526 -30.117 1.00 0.00 C ATOM 248 CD2 TYR A 17 5.976 13.983 -28.847 1.00 0.00 C ATOM 249 CE1 TYR A 17 8.263 14.904 -30.220 1.00 0.00 C ATOM 250 CE2 TYR A 17 6.225 15.367 -28.946 1.00 0.00 C ATOM 251 CZ TYR A 17 7.373 15.832 -29.631 1.00 0.00 C ATOM 252 OH TYR A 17 7.624 17.166 -29.734 1.00 0.00 O ATOM 0 H TYR A 17 9.119 11.366 -27.532 1.00 0.00 H new ATOM 0 HA TYR A 17 7.159 11.453 -27.283 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.897 11.138 -30.297 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.500 11.464 -29.290 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.693 12.816 -30.563 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.101 13.624 -28.325 1.00 0.00 H new ATOM 0 HE1 TYR A 17 9.136 15.255 -30.749 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.540 16.072 -28.499 1.00 0.00 H new ATOM 0 HH TYR A 17 6.917 17.668 -29.277 1.00 0.00 H new ATOM 262 N GLU A 18 5.432 9.738 -27.089 1.00 0.00 N ATOM 263 CA GLU A 18 4.142 9.068 -27.263 1.00 0.00 C ATOM 264 C GLU A 18 3.055 10.156 -27.342 1.00 0.00 C ATOM 265 O GLU A 18 2.838 10.903 -26.383 1.00 0.00 O ATOM 266 CB GLU A 18 3.913 8.037 -26.146 1.00 0.00 C ATOM 267 CG GLU A 18 2.624 7.233 -26.364 1.00 0.00 C ATOM 268 CD GLU A 18 2.460 6.148 -25.281 1.00 0.00 C ATOM 269 OE1 GLU A 18 1.876 6.434 -24.208 1.00 0.00 O ATOM 270 OE2 GLU A 18 2.908 4.994 -25.497 1.00 0.00 O ATOM 0 H GLU A 18 5.454 10.362 -26.283 1.00 0.00 H new ATOM 0 HA GLU A 18 4.111 8.493 -28.188 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.763 7.356 -26.101 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.864 8.548 -25.185 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.765 7.904 -26.345 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.643 6.768 -27.350 1.00 0.00 H new ATOM 277 N THR A 19 2.468 10.339 -28.528 1.00 0.00 N ATOM 278 CA THR A 19 1.748 11.569 -28.902 1.00 0.00 C ATOM 279 C THR A 19 0.285 11.519 -28.458 1.00 0.00 C ATOM 280 O THR A 19 -0.408 10.523 -28.674 1.00 0.00 O ATOM 281 CB THR A 19 1.847 11.835 -30.415 1.00 0.00 C ATOM 282 OG1 THR A 19 3.197 11.775 -30.842 1.00 0.00 O ATOM 283 CG2 THR A 19 1.353 13.226 -30.809 1.00 0.00 C ATOM 0 H THR A 19 2.477 9.634 -29.265 1.00 0.00 H new ATOM 0 HA THR A 19 2.228 12.396 -28.379 1.00 0.00 H new ATOM 0 HB THR A 19 1.226 11.070 -30.881 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.372 10.902 -31.252 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.448 13.354 -31.887 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.307 13.336 -30.521 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.951 13.982 -30.300 1.00 0.00 H new ATOM 291 N ASP A 20 -0.199 12.613 -27.868 1.00 0.00 N ATOM 292 CA ASP A 20 -1.599 12.817 -27.479 1.00 0.00 C ATOM 293 C ASP A 20 -2.001 14.299 -27.649 1.00 0.00 C ATOM 294 O ASP A 20 -1.151 15.189 -27.541 1.00 0.00 O ATOM 295 CB ASP A 20 -1.795 12.344 -26.027 1.00 0.00 C ATOM 296 CG ASP A 20 -3.256 12.464 -25.563 1.00 0.00 C ATOM 297 OD1 ASP A 20 -4.155 11.928 -26.254 1.00 0.00 O ATOM 298 OD2 ASP A 20 -3.510 13.102 -24.513 1.00 0.00 O ATOM 0 H ASP A 20 0.393 13.411 -27.639 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.248 12.230 -28.129 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.473 11.306 -25.939 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.158 12.932 -25.367 1.00 0.00 H new ATOM 303 N ARG A 21 -3.287 14.575 -27.917 1.00 0.00 N ATOM 304 CA ARG A 21 -3.820 15.930 -28.166 1.00 0.00 C ATOM 305 C ARG A 21 -5.193 16.148 -27.519 1.00 0.00 C ATOM 306 O ARG A 21 -6.071 15.287 -27.591 1.00 0.00 O ATOM 307 CB ARG A 21 -3.861 16.179 -29.688 1.00 0.00 C ATOM 308 CG ARG A 21 -4.245 17.625 -30.060 1.00 0.00 C ATOM 309 CD ARG A 21 -4.201 17.870 -31.574 1.00 0.00 C ATOM 310 NE ARG A 21 -5.287 17.163 -32.284 1.00 0.00 N ATOM 311 CZ ARG A 21 -5.576 17.249 -33.571 1.00 0.00 C ATOM 312 NH1 ARG A 21 -4.890 17.998 -34.387 1.00 0.00 N ATOM 313 NH2 ARG A 21 -6.575 16.578 -34.067 1.00 0.00 N ATOM 0 H ARG A 21 -4.002 13.850 -27.968 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.156 16.656 -27.697 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.884 15.949 -30.113 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.576 15.493 -30.142 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.247 17.839 -29.689 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.566 18.318 -29.563 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.277 18.940 -31.770 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.238 17.542 -31.966 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.874 16.545 -31.723 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.101 18.542 -34.038 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.142 18.040 -35.375 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.140 15.982 -33.462 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.793 16.648 -35.061 1.00 0.00 H new ATOM 327 N ASN A 22 -5.386 17.341 -26.957 1.00 0.00 N ATOM 328 CA ASN A 22 -6.670 17.907 -26.527 1.00 0.00 C ATOM 329 C ASN A 22 -6.766 19.402 -26.916 1.00 0.00 C ATOM 330 O ASN A 22 -5.769 20.009 -27.315 1.00 0.00 O ATOM 331 CB ASN A 22 -6.881 17.646 -25.018 1.00 0.00 C ATOM 332 CG ASN A 22 -5.896 18.323 -24.070 1.00 0.00 C ATOM 333 OD1 ASN A 22 -4.977 19.040 -24.446 1.00 0.00 O ATOM 334 ND2 ASN A 22 -6.056 18.111 -22.783 1.00 0.00 N ATOM 0 H ASN A 22 -4.608 17.976 -26.778 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.488 17.410 -27.049 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.888 17.969 -24.753 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.836 16.570 -24.847 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.419 18.541 -22.112 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.817 17.516 -22.455 1.00 0.00 H new ATOM 341 N HIS A 23 -7.969 19.985 -26.821 1.00 0.00 N ATOM 342 CA HIS A 23 -8.261 21.396 -27.154 1.00 0.00 C ATOM 343 C HIS A 23 -7.764 21.819 -28.553 1.00 0.00 C ATOM 344 O HIS A 23 -7.194 22.898 -28.733 1.00 0.00 O ATOM 345 CB HIS A 23 -7.784 22.320 -26.017 1.00 0.00 C ATOM 346 CG HIS A 23 -8.311 21.924 -24.659 1.00 0.00 C ATOM 347 ND1 HIS A 23 -9.657 21.921 -24.277 1.00 0.00 N ATOM 348 CD2 HIS A 23 -7.557 21.480 -23.612 1.00 0.00 C ATOM 349 CE1 HIS A 23 -9.680 21.478 -23.008 1.00 0.00 C ATOM 350 NE2 HIS A 23 -8.433 21.205 -22.584 1.00 0.00 N ATOM 0 H HIS A 23 -8.794 19.477 -26.501 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.343 21.501 -27.228 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.694 22.317 -25.990 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.095 23.342 -26.235 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.483 21.366 -23.593 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.573 21.358 -22.413 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -8.179 20.855 -21.660 1.00 0.00 H new ATOM 358 N ASP A 24 -7.958 20.943 -29.542 1.00 0.00 N ATOM 359 CA ASP A 24 -7.418 21.047 -30.907 1.00 0.00 C ATOM 360 C ASP A 24 -7.840 22.316 -31.682 1.00 0.00 C ATOM 361 O ASP A 24 -8.744 23.053 -31.276 1.00 0.00 O ATOM 362 CB ASP A 24 -7.767 19.770 -31.687 1.00 0.00 C ATOM 363 CG ASP A 24 -9.275 19.614 -31.951 1.00 0.00 C ATOM 364 OD1 ASP A 24 -9.990 19.081 -31.068 1.00 0.00 O ATOM 365 OD2 ASP A 24 -9.741 19.996 -33.049 1.00 0.00 O ATOM 0 H ASP A 24 -8.521 20.103 -29.411 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.337 21.148 -30.805 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.237 19.777 -32.639 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.411 18.903 -31.130 1.00 0.00 H new ATOM 370 N LEU A 25 -7.155 22.586 -32.799 1.00 0.00 N ATOM 371 CA LEU A 25 -7.289 23.819 -33.583 1.00 0.00 C ATOM 372 C LEU A 25 -8.636 23.878 -34.333 1.00 0.00 C ATOM 373 O LEU A 25 -8.802 23.299 -35.410 1.00 0.00 O ATOM 374 CB LEU A 25 -6.082 23.963 -34.534 1.00 0.00 C ATOM 375 CG LEU A 25 -4.705 24.071 -33.844 1.00 0.00 C ATOM 376 CD1 LEU A 25 -3.608 24.183 -34.902 1.00 0.00 C ATOM 377 CD2 LEU A 25 -4.599 25.287 -32.921 1.00 0.00 C ATOM 0 H LEU A 25 -6.475 21.936 -33.193 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.289 24.670 -32.901 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.066 23.105 -35.206 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.231 24.849 -35.151 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.587 23.172 -33.240 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.637 24.259 -34.413 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.625 23.299 -35.539 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.778 25.071 -35.510 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.610 25.311 -32.464 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.754 26.198 -33.500 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.358 25.219 -32.141 1.00 0.00 H new ATOM 389 N ALA A 26 -9.589 24.608 -33.750 1.00 0.00 N ATOM 390 CA ALA A 26 -10.939 24.853 -34.263 1.00 0.00 C ATOM 391 C ALA A 26 -11.424 26.273 -33.880 1.00 0.00 C ATOM 392 O ALA A 26 -10.979 26.806 -32.854 1.00 0.00 O ATOM 393 CB ALA A 26 -11.864 23.763 -33.699 1.00 0.00 C ATOM 0 H ALA A 26 -9.430 25.071 -32.855 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.946 24.807 -35.352 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.878 23.921 -34.066 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.510 22.783 -34.021 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.860 23.810 -32.610 1.00 0.00 H new ATOM 399 N PRO A 27 -12.318 26.910 -34.665 1.00 0.00 N ATOM 400 CA PRO A 27 -12.734 28.296 -34.456 1.00 0.00 C ATOM 401 C PRO A 27 -13.650 28.445 -33.231 1.00 0.00 C ATOM 402 O PRO A 27 -14.798 27.988 -33.209 1.00 0.00 O ATOM 403 CB PRO A 27 -13.395 28.726 -35.771 1.00 0.00 C ATOM 404 CG PRO A 27 -13.956 27.418 -36.325 1.00 0.00 C ATOM 405 CD PRO A 27 -12.903 26.398 -35.895 1.00 0.00 C ATOM 0 HA PRO A 27 -11.889 28.945 -34.225 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.181 29.462 -35.604 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.676 29.177 -36.455 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.937 27.189 -35.909 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.070 27.452 -37.409 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.353 25.419 -35.733 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.142 26.276 -36.666 1.00 0.00 H new ATOM 413 N ARG A 28 -13.115 29.104 -32.199 1.00 0.00 N ATOM 414 CA ARG A 28 -13.773 29.382 -30.914 1.00 0.00 C ATOM 415 C ARG A 28 -13.466 30.777 -30.346 1.00 0.00 C ATOM 416 O ARG A 28 -12.561 31.472 -30.810 1.00 0.00 O ATOM 417 CB ARG A 28 -13.444 28.242 -29.934 1.00 0.00 C ATOM 418 CG ARG A 28 -11.958 28.106 -29.578 1.00 0.00 C ATOM 419 CD ARG A 28 -11.774 27.001 -28.532 1.00 0.00 C ATOM 420 NE ARG A 28 -10.348 26.679 -28.317 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.671 25.673 -28.847 1.00 0.00 C ATOM 422 NH1 ARG A 28 -10.197 24.864 -29.719 1.00 0.00 N ATOM 423 NH2 ARG A 28 -8.437 25.455 -28.501 1.00 0.00 N ATOM 0 H ARG A 28 -12.166 29.477 -32.236 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.850 29.410 -31.079 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.010 28.397 -29.016 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.787 27.301 -30.365 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.380 27.873 -30.472 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.579 29.052 -29.191 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.222 27.315 -27.589 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.304 26.105 -28.853 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.830 27.298 -27.693 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.164 24.994 -30.017 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.643 24.100 -30.105 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.984 26.061 -27.817 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.921 24.678 -28.914 1.00 0.00 H new ATOM 437 N GLN A 29 -14.248 31.174 -29.343 1.00 0.00 N ATOM 438 CA GLN A 29 -14.270 32.485 -28.690 1.00 0.00 C ATOM 439 C GLN A 29 -14.236 32.290 -27.169 1.00 0.00 C ATOM 440 O GLN A 29 -15.242 31.964 -26.538 1.00 0.00 O ATOM 441 CB GLN A 29 -15.548 33.265 -29.059 1.00 0.00 C ATOM 442 CG GLN A 29 -15.843 33.420 -30.563 1.00 0.00 C ATOM 443 CD GLN A 29 -17.221 32.871 -30.910 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.078 33.532 -31.479 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.477 31.631 -30.569 1.00 0.00 N ATOM 0 H GLN A 29 -14.935 30.541 -28.934 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.402 33.051 -29.026 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.399 32.768 -28.593 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.480 34.260 -28.619 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.786 34.472 -30.841 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.083 32.896 -31.142 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.765 31.075 -30.094 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.388 31.222 -30.779 1.00 0.00 H new ATOM 454 N ILE A 30 -13.072 32.487 -26.568 1.00 0.00 N ATOM 455 CA ILE A 30 -12.901 32.495 -25.119 1.00 0.00 C ATOM 456 C ILE A 30 -13.361 33.859 -24.596 1.00 0.00 C ATOM 457 O ILE A 30 -12.686 34.874 -24.780 1.00 0.00 O ATOM 458 CB ILE A 30 -11.446 32.163 -24.735 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.016 30.721 -25.092 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.265 32.307 -23.210 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.172 30.227 -26.537 1.00 0.00 C ATOM 0 H ILE A 30 -12.205 32.649 -27.080 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.510 31.720 -24.653 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.832 32.861 -25.304 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.965 30.616 -24.821 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.580 30.043 -24.451 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.235 32.071 -22.942 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.493 33.330 -22.912 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.939 31.621 -22.697 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.823 29.197 -26.609 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.222 30.275 -26.827 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.582 30.857 -27.203 1.00 0.00 H new ATOM 473 N ALA A 31 -14.506 33.861 -23.921 1.00 0.00 N ATOM 474 CA ALA A 31 -14.955 34.955 -23.068 1.00 0.00 C ATOM 475 C ALA A 31 -14.608 34.663 -21.601 1.00 0.00 C ATOM 476 O ALA A 31 -14.504 33.505 -21.190 1.00 0.00 O ATOM 477 CB ALA A 31 -16.457 35.166 -23.277 1.00 0.00 C ATOM 0 H ALA A 31 -15.164 33.082 -23.953 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.441 35.878 -23.337 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.801 35.983 -22.643 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.648 35.412 -24.321 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.992 34.253 -23.016 1.00 0.00 H new ATOM 483 N ARG A 32 -14.458 35.713 -20.791 1.00 0.00 N ATOM 484 CA ARG A 32 -14.354 35.611 -19.328 1.00 0.00 C ATOM 485 C ARG A 32 -15.662 36.040 -18.672 1.00 0.00 C ATOM 486 O ARG A 32 -16.384 36.877 -19.219 1.00 0.00 O ATOM 487 CB ARG A 32 -13.154 36.429 -18.811 1.00 0.00 C ATOM 488 CG ARG A 32 -11.976 35.514 -18.475 1.00 0.00 C ATOM 489 CD ARG A 32 -10.748 36.307 -18.027 1.00 0.00 C ATOM 490 NE ARG A 32 -9.702 35.407 -17.506 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.109 35.431 -16.326 1.00 0.00 C ATOM 492 NH1 ARG A 32 -9.367 36.308 -15.395 1.00 0.00 N ATOM 493 NH2 ARG A 32 -8.214 34.527 -16.061 1.00 0.00 N ATOM 0 H ARG A 32 -14.404 36.672 -21.134 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.177 34.570 -19.057 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.852 37.156 -19.565 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.447 36.992 -17.925 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.268 34.821 -17.686 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.722 34.914 -19.349 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.355 36.881 -18.866 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.034 37.023 -17.257 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.396 34.669 -18.140 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.065 37.034 -15.557 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.870 36.268 -14.505 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.983 33.819 -16.758 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.743 34.526 -15.156 1.00 0.00 H new ATOM 507 N TYR A 33 -15.934 35.516 -17.478 1.00 0.00 N ATOM 508 CA TYR A 33 -17.053 35.924 -16.627 1.00 0.00 C ATOM 509 C TYR A 33 -16.631 35.993 -15.153 1.00 0.00 C ATOM 510 O TYR A 33 -15.913 35.118 -14.667 1.00 0.00 O ATOM 511 CB TYR A 33 -18.244 34.981 -16.804 1.00 0.00 C ATOM 512 CG TYR A 33 -18.839 34.924 -18.192 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.248 34.125 -19.190 1.00 0.00 C ATOM 514 CD2 TYR A 33 -20.005 35.653 -18.475 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.845 34.038 -20.460 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.600 35.574 -19.744 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.041 34.736 -20.725 1.00 0.00 C ATOM 518 OH TYR A 33 -20.696 34.570 -21.898 1.00 0.00 O ATOM 0 H TYR A 33 -15.367 34.776 -17.064 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.359 36.923 -16.936 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.932 33.976 -16.522 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -19.026 35.280 -16.106 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.339 33.581 -18.980 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.446 36.278 -17.713 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.388 33.437 -21.232 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.483 36.154 -19.966 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.353 35.289 -22.010 1.00 0.00 H new ATOM 528 N ARG A 34 -17.083 37.035 -14.444 1.00 0.00 N ATOM 529 CA ARG A 34 -16.786 37.313 -13.030 1.00 0.00 C ATOM 530 C ARG A 34 -17.989 36.964 -12.157 1.00 0.00 C ATOM 531 O ARG A 34 -19.081 37.480 -12.389 1.00 0.00 O ATOM 532 CB ARG A 34 -16.390 38.791 -12.861 1.00 0.00 C ATOM 533 CG ARG A 34 -15.985 39.112 -11.413 1.00 0.00 C ATOM 534 CD ARG A 34 -15.677 40.598 -11.202 1.00 0.00 C ATOM 535 NE ARG A 34 -16.821 41.488 -11.501 1.00 0.00 N ATOM 536 CZ ARG A 34 -17.952 41.631 -10.828 1.00 0.00 C ATOM 537 NH1 ARG A 34 -18.281 40.883 -9.812 1.00 0.00 N ATOM 538 NH2 ARG A 34 -18.801 42.554 -11.178 1.00 0.00 N ATOM 0 H ARG A 34 -17.693 37.740 -14.857 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.949 36.693 -12.711 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.562 39.024 -13.530 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.225 39.427 -13.154 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.789 38.812 -10.740 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.109 38.522 -11.146 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.367 40.753 -10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.834 40.879 -11.833 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.726 42.067 -12.335 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.653 40.143 -9.499 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.166 41.038 -9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -18.594 43.164 -11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.673 42.667 -10.662 1.00 0.00 H new ATOM 552 N THR A 35 -17.779 36.130 -11.145 1.00 0.00 N ATOM 553 CA THR A 35 -18.807 35.708 -10.178 1.00 0.00 C ATOM 554 C THR A 35 -19.045 36.770 -9.104 1.00 0.00 C ATOM 555 O THR A 35 -18.358 37.795 -9.034 1.00 0.00 O ATOM 556 CB THR A 35 -18.450 34.391 -9.483 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.296 34.559 -8.716 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.245 33.234 -10.441 1.00 0.00 C ATOM 0 H THR A 35 -16.866 35.713 -10.962 1.00 0.00 H new ATOM 0 HA THR A 35 -19.715 35.566 -10.764 1.00 0.00 H new ATOM 0 HB THR A 35 -19.304 34.137 -8.855 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.535 34.741 -9.306 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.995 32.335 -9.878 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.160 33.064 -11.008 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.432 33.470 -11.127 1.00 0.00 H new ATOM 566 N ASP A 36 -19.989 36.504 -8.201 1.00 0.00 N ATOM 567 CA ASP A 36 -20.349 37.439 -7.139 1.00 0.00 C ATOM 568 C ASP A 36 -19.290 37.559 -6.026 1.00 0.00 C ATOM 569 O ASP A 36 -19.289 38.559 -5.306 1.00 0.00 O ATOM 570 CB ASP A 36 -21.733 37.058 -6.592 1.00 0.00 C ATOM 571 CG ASP A 36 -22.314 38.133 -5.654 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.601 39.259 -6.130 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.526 37.846 -4.451 1.00 0.00 O ATOM 0 H ASP A 36 -20.524 35.636 -8.186 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.390 38.439 -7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.418 36.899 -7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.660 36.113 -6.054 1.00 0.00 H new ATOM 578 N ASN A 37 -18.339 36.613 -5.920 1.00 0.00 N ATOM 579 CA ASN A 37 -17.199 36.769 -4.998 1.00 0.00 C ATOM 580 C ASN A 37 -15.984 37.469 -5.656 1.00 0.00 C ATOM 581 O ASN A 37 -14.927 37.593 -5.032 1.00 0.00 O ATOM 582 CB ASN A 37 -16.796 35.433 -4.362 1.00 0.00 C ATOM 583 CG ASN A 37 -17.921 34.493 -3.971 1.00 0.00 C ATOM 584 OD1 ASN A 37 -18.976 34.872 -3.479 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.695 33.215 -4.161 1.00 0.00 N ATOM 0 H ASN A 37 -18.336 35.744 -6.454 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.543 37.428 -4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.142 34.909 -5.059 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.206 35.646 -3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.401 32.528 -3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.813 32.909 -4.572 1.00 0.00 H new ATOM 592 N GLY A 38 -16.100 37.878 -6.928 1.00 0.00 N ATOM 593 CA GLY A 38 -14.985 38.332 -7.771 1.00 0.00 C ATOM 594 C GLY A 38 -14.192 37.208 -8.438 1.00 0.00 C ATOM 595 O GLY A 38 -13.165 37.478 -9.060 1.00 0.00 O ATOM 0 H GLY A 38 -16.998 37.903 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.377 38.991 -8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.305 38.926 -7.161 1.00 0.00 H new ATOM 599 N GLU A 39 -14.633 35.955 -8.312 1.00 0.00 N ATOM 600 CA GLU A 39 -13.939 34.806 -8.910 1.00 0.00 C ATOM 601 C GLU A 39 -14.171 34.830 -10.424 1.00 0.00 C ATOM 602 O GLU A 39 -15.316 34.770 -10.869 1.00 0.00 O ATOM 603 CB GLU A 39 -14.395 33.459 -8.305 1.00 0.00 C ATOM 604 CG GLU A 39 -14.717 33.533 -6.807 1.00 0.00 C ATOM 605 CD GLU A 39 -14.484 32.249 -5.991 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.540 31.470 -6.269 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.244 32.054 -5.009 1.00 0.00 O ATOM 0 H GLU A 39 -15.477 35.706 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.875 34.892 -8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.278 33.111 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.613 32.716 -8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.117 34.330 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.762 33.823 -6.696 1.00 0.00 H new ATOM 614 N GLU A 40 -13.114 34.919 -11.224 1.00 0.00 N ATOM 615 CA GLU A 40 -13.226 34.963 -12.689 1.00 0.00 C ATOM 616 C GLU A 40 -12.885 33.609 -13.322 1.00 0.00 C ATOM 617 O GLU A 40 -11.857 32.995 -13.018 1.00 0.00 O ATOM 618 CB GLU A 40 -12.298 36.028 -13.289 1.00 0.00 C ATOM 619 CG GLU A 40 -12.869 37.443 -13.175 1.00 0.00 C ATOM 620 CD GLU A 40 -11.925 38.484 -13.816 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.353 38.210 -14.902 1.00 0.00 O ATOM 622 OE2 GLU A 40 -11.743 39.579 -13.231 1.00 0.00 O ATOM 0 H GLU A 40 -12.154 34.963 -10.882 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.263 35.215 -12.910 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.333 35.989 -12.784 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.118 35.797 -14.339 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.843 37.484 -13.662 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.027 37.690 -12.125 1.00 0.00 H new ATOM 629 N PHE A 41 -13.749 33.176 -14.240 1.00 0.00 N ATOM 630 CA PHE A 41 -13.616 31.945 -15.024 1.00 0.00 C ATOM 631 C PHE A 41 -13.700 32.231 -16.525 1.00 0.00 C ATOM 632 O PHE A 41 -14.224 33.259 -16.954 1.00 0.00 O ATOM 633 CB PHE A 41 -14.690 30.934 -14.604 1.00 0.00 C ATOM 634 CG PHE A 41 -14.544 30.437 -13.177 1.00 0.00 C ATOM 635 CD1 PHE A 41 -15.024 31.195 -12.089 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.881 29.219 -12.934 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.799 30.747 -10.781 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.655 28.776 -11.621 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.104 29.550 -10.540 1.00 0.00 C ATOM 0 H PHE A 41 -14.597 33.694 -14.468 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.633 31.518 -14.824 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.672 31.393 -14.720 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.656 30.080 -15.281 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.562 32.115 -12.263 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.543 28.619 -13.766 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.164 31.329 -9.948 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.138 27.844 -11.444 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.916 29.227 -9.527 1.00 0.00 H new ATOM 649 N GLU A 42 -13.193 31.299 -17.330 1.00 0.00 N ATOM 650 CA GLU A 42 -13.098 31.425 -18.788 1.00 0.00 C ATOM 651 C GLU A 42 -13.986 30.383 -19.473 1.00 0.00 C ATOM 652 O GLU A 42 -13.894 29.184 -19.183 1.00 0.00 O ATOM 653 CB GLU A 42 -11.641 31.293 -19.264 1.00 0.00 C ATOM 654 CG GLU A 42 -10.672 32.313 -18.634 1.00 0.00 C ATOM 655 CD GLU A 42 -9.374 31.738 -18.030 1.00 0.00 C ATOM 656 OE1 GLU A 42 -9.335 30.576 -17.559 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.382 32.507 -17.966 1.00 0.00 O ATOM 0 H GLU A 42 -12.827 30.413 -16.981 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.450 32.419 -19.065 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.287 30.287 -19.039 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.614 31.405 -20.348 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.401 33.043 -19.396 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.204 32.852 -17.851 1.00 0.00 H new ATOM 664 N VAL A 43 -14.845 30.833 -20.383 1.00 0.00 N ATOM 665 CA VAL A 43 -15.811 29.997 -21.107 1.00 0.00 C ATOM 666 C VAL A 43 -15.496 30.037 -22.610 1.00 0.00 C ATOM 667 O VAL A 43 -15.702 31.074 -23.247 1.00 0.00 O ATOM 668 CB VAL A 43 -17.260 30.438 -20.824 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.256 29.459 -21.459 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.560 30.527 -19.321 1.00 0.00 C ATOM 0 H VAL A 43 -14.894 31.817 -20.648 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.721 28.969 -20.755 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.370 31.431 -21.261 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.274 29.787 -21.248 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.100 29.430 -22.537 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.103 28.463 -21.043 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.593 30.842 -19.174 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.409 29.550 -18.861 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.891 31.253 -18.859 1.00 0.00 H new ATOM 680 N PRO A 44 -14.993 28.936 -23.200 1.00 0.00 N ATOM 681 CA PRO A 44 -14.807 28.833 -24.643 1.00 0.00 C ATOM 682 C PRO A 44 -16.141 28.529 -25.349 1.00 0.00 C ATOM 683 O PRO A 44 -16.745 27.471 -25.150 1.00 0.00 O ATOM 684 CB PRO A 44 -13.771 27.718 -24.833 1.00 0.00 C ATOM 685 CG PRO A 44 -13.959 26.818 -23.612 1.00 0.00 C ATOM 686 CD PRO A 44 -14.460 27.762 -22.519 1.00 0.00 C ATOM 0 HA PRO A 44 -14.459 29.766 -25.087 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.940 27.171 -25.761 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.759 28.119 -24.880 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.678 26.023 -23.811 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.024 26.338 -23.324 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.229 27.282 -21.914 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.650 28.039 -21.844 1.00 0.00 H new ATOM 694 N PHE A 45 -16.576 29.438 -26.220 1.00 0.00 N ATOM 695 CA PHE A 45 -17.730 29.287 -27.116 1.00 0.00 C ATOM 696 C PHE A 45 -17.276 28.866 -28.512 1.00 0.00 C ATOM 697 O PHE A 45 -16.280 29.377 -29.012 1.00 0.00 O ATOM 698 CB PHE A 45 -18.496 30.613 -27.195 1.00 0.00 C ATOM 699 CG PHE A 45 -19.333 30.901 -25.967 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.735 31.462 -24.824 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.710 30.609 -25.967 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.512 31.725 -23.688 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.485 30.869 -24.821 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.880 31.416 -23.674 1.00 0.00 C ATOM 0 H PHE A 45 -16.116 30.342 -26.328 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.384 28.511 -26.717 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.785 31.426 -27.339 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.144 30.597 -28.071 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.679 31.690 -24.822 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.172 30.185 -26.846 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.054 32.169 -22.817 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.542 30.649 -24.822 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.467 31.597 -22.786 1.00 0.00 H new ATOM 714 N ALA A 46 -18.033 28.017 -29.196 1.00 0.00 N ATOM 715 CA ALA A 46 -17.762 27.648 -30.586 1.00 0.00 C ATOM 716 C ALA A 46 -18.272 28.748 -31.528 1.00 0.00 C ATOM 717 O ALA A 46 -19.203 29.476 -31.180 1.00 0.00 O ATOM 718 CB ALA A 46 -18.409 26.290 -30.877 1.00 0.00 C ATOM 0 H ALA A 46 -18.857 27.561 -28.803 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.689 27.554 -30.753 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.212 26.007 -31.911 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.991 25.537 -30.209 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.485 26.358 -30.718 1.00 0.00 H new ATOM 724 N ASP A 47 -17.704 28.877 -32.726 1.00 0.00 N ATOM 725 CA ASP A 47 -18.084 29.916 -33.702 1.00 0.00 C ATOM 726 C ASP A 47 -19.561 29.845 -34.153 1.00 0.00 C ATOM 727 O ASP A 47 -20.121 30.833 -34.632 1.00 0.00 O ATOM 728 CB ASP A 47 -17.115 29.887 -34.888 1.00 0.00 C ATOM 729 CG ASP A 47 -17.302 31.102 -35.809 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.248 32.246 -35.297 1.00 0.00 O ATOM 731 OD2 ASP A 47 -17.489 30.922 -37.035 1.00 0.00 O ATOM 0 H ASP A 47 -16.960 28.262 -33.056 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.002 30.878 -33.196 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.090 29.865 -34.519 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.267 28.971 -35.459 1.00 0.00 H new ATOM 736 N ASP A 48 -20.213 28.691 -33.974 1.00 0.00 N ATOM 737 CA ASP A 48 -21.655 28.509 -34.208 1.00 0.00 C ATOM 738 C ASP A 48 -22.533 29.202 -33.135 1.00 0.00 C ATOM 739 O ASP A 48 -23.730 29.416 -33.343 1.00 0.00 O ATOM 740 CB ASP A 48 -21.931 27.000 -34.258 1.00 0.00 C ATOM 741 CG ASP A 48 -23.383 26.667 -34.644 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.799 26.998 -35.781 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.097 26.031 -33.832 1.00 0.00 O ATOM 0 H ASP A 48 -19.748 27.841 -33.657 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.924 28.984 -35.151 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.255 26.536 -34.976 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.711 26.563 -33.284 1.00 0.00 H new ATOM 748 N ALA A 49 -21.930 29.588 -32.006 1.00 0.00 N ATOM 749 CA ALA A 49 -22.535 30.324 -30.896 1.00 0.00 C ATOM 750 C ALA A 49 -21.989 31.767 -30.786 1.00 0.00 C ATOM 751 O ALA A 49 -21.021 32.150 -31.450 1.00 0.00 O ATOM 752 CB ALA A 49 -22.307 29.513 -29.611 1.00 0.00 C ATOM 0 H ALA A 49 -20.946 29.381 -31.834 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.605 30.439 -31.070 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.749 30.040 -28.765 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.773 28.533 -29.712 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.237 29.390 -29.443 1.00 0.00 H new ATOM 758 N GLU A 50 -22.612 32.571 -29.921 1.00 0.00 N ATOM 759 CA GLU A 50 -22.189 33.929 -29.554 1.00 0.00 C ATOM 760 C GLU A 50 -22.357 34.180 -28.044 1.00 0.00 C ATOM 761 O GLU A 50 -23.261 33.625 -27.419 1.00 0.00 O ATOM 762 CB GLU A 50 -22.955 34.963 -30.397 1.00 0.00 C ATOM 763 CG GLU A 50 -24.443 35.092 -30.034 1.00 0.00 C ATOM 764 CD GLU A 50 -25.196 35.930 -31.081 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.711 35.359 -32.071 1.00 0.00 O ATOM 766 OE2 GLU A 50 -25.284 37.172 -30.942 1.00 0.00 O ATOM 0 H GLU A 50 -23.462 32.283 -29.435 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.126 34.035 -29.771 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.478 35.936 -30.280 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.871 34.691 -31.449 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.891 34.101 -29.966 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.543 35.555 -29.052 1.00 0.00 H new ATOM 773 N ILE A 51 -21.487 35.018 -27.472 1.00 0.00 N ATOM 774 CA ILE A 51 -21.335 35.341 -26.048 1.00 0.00 C ATOM 775 C ILE A 51 -22.564 36.089 -25.501 1.00 0.00 C ATOM 776 O ILE A 51 -22.788 37.254 -25.855 1.00 0.00 O ATOM 777 CB ILE A 51 -20.059 36.182 -25.792 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.830 35.721 -26.611 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.722 36.214 -24.290 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.367 34.281 -26.379 1.00 0.00 C ATOM 0 H ILE A 51 -20.814 35.532 -28.040 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.243 34.392 -25.520 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.292 37.189 -26.137 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.059 35.841 -27.670 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.998 36.389 -26.387 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.823 36.809 -24.131 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.552 36.657 -23.740 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.552 35.198 -23.934 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.500 34.072 -27.006 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.097 34.150 -25.331 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.174 33.594 -26.634 1.00 0.00 H new ATOM 792 N PRO A 52 -23.367 35.450 -24.640 1.00 0.00 N ATOM 793 CA PRO A 52 -24.400 36.117 -23.863 1.00 0.00 C ATOM 794 C PRO A 52 -23.779 36.985 -22.754 1.00 0.00 C ATOM 795 O PRO A 52 -22.717 36.667 -22.215 1.00 0.00 O ATOM 796 CB PRO A 52 -25.255 34.981 -23.303 1.00 0.00 C ATOM 797 CG PRO A 52 -24.270 33.825 -23.152 1.00 0.00 C ATOM 798 CD PRO A 52 -23.238 34.061 -24.247 1.00 0.00 C ATOM 0 HA PRO A 52 -24.998 36.806 -24.460 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.704 35.252 -22.347 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.072 34.725 -23.978 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.808 33.823 -22.165 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.766 32.862 -23.274 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.232 33.852 -23.884 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.414 33.400 -25.095 1.00 0.00 H new ATOM 806 N GLY A 53 -24.471 38.068 -22.388 1.00 0.00 N ATOM 807 CA GLY A 53 -24.070 39.035 -21.349 1.00 0.00 C ATOM 808 C GLY A 53 -23.658 38.424 -20.001 1.00 0.00 C ATOM 809 O GLY A 53 -22.814 38.987 -19.299 1.00 0.00 O ATOM 0 H GLY A 53 -25.362 38.309 -22.822 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.237 39.627 -21.730 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.898 39.723 -21.178 1.00 0.00 H new ATOM 813 N THR A 54 -24.223 37.269 -19.630 1.00 0.00 N ATOM 814 CA THR A 54 -23.788 36.483 -18.468 1.00 0.00 C ATOM 815 C THR A 54 -23.795 34.968 -18.745 1.00 0.00 C ATOM 816 O THR A 54 -24.469 34.500 -19.666 1.00 0.00 O ATOM 817 CB THR A 54 -24.699 36.740 -17.250 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.040 36.383 -17.527 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.777 38.200 -16.812 1.00 0.00 C ATOM 0 H THR A 54 -25.004 36.849 -20.134 1.00 0.00 H new ATOM 0 HA THR A 54 -22.768 36.806 -18.260 1.00 0.00 H new ATOM 0 HB THR A 54 -24.241 36.137 -16.466 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.594 36.555 -16.737 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.439 38.286 -15.950 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.782 38.552 -16.542 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.166 38.805 -17.631 1.00 0.00 H new ATOM 827 N TRP A 55 -23.048 34.192 -17.948 1.00 0.00 N ATOM 828 CA TRP A 55 -22.922 32.728 -18.059 1.00 0.00 C ATOM 829 C TRP A 55 -22.516 32.085 -16.718 1.00 0.00 C ATOM 830 O TRP A 55 -21.791 32.684 -15.921 1.00 0.00 O ATOM 831 CB TRP A 55 -21.893 32.388 -19.145 1.00 0.00 C ATOM 832 CG TRP A 55 -21.867 30.958 -19.585 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.054 30.006 -19.085 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.653 30.297 -20.622 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.246 28.820 -19.760 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.230 28.936 -20.718 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.669 30.715 -21.505 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.782 28.040 -21.646 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.238 29.825 -22.438 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.797 28.491 -22.510 1.00 0.00 C ATOM 0 H TRP A 55 -22.495 34.577 -17.182 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.896 32.321 -18.331 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.090 33.014 -20.015 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.902 32.655 -18.778 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.355 30.151 -18.275 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.725 27.963 -19.574 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.018 31.736 -21.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.433 27.019 -21.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.017 30.169 -23.102 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.237 27.814 -23.227 1.00 0.00 H new ATOM 851 N LEU A 56 -22.965 30.855 -16.447 1.00 0.00 N ATOM 852 CA LEU A 56 -22.662 30.137 -15.202 1.00 0.00 C ATOM 853 C LEU A 56 -21.182 29.709 -15.144 1.00 0.00 C ATOM 854 O LEU A 56 -20.677 29.037 -16.046 1.00 0.00 O ATOM 855 CB LEU A 56 -23.618 28.935 -15.055 1.00 0.00 C ATOM 856 CG LEU A 56 -24.273 28.817 -13.668 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.344 27.728 -13.686 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.262 28.460 -12.581 1.00 0.00 C ATOM 0 H LEU A 56 -23.553 30.325 -17.090 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.820 30.808 -14.358 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.401 29.014 -15.809 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.066 28.018 -15.263 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.706 29.791 -13.442 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.802 27.652 -12.700 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.107 27.980 -14.422 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.888 26.774 -13.949 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.771 28.388 -11.620 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.796 27.503 -12.817 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.496 29.234 -12.528 1.00 0.00 H new ATOM 870 N CYS A 57 -20.489 30.085 -14.069 1.00 0.00 N ATOM 871 CA CYS A 57 -19.071 29.787 -13.851 1.00 0.00 C ATOM 872 C CYS A 57 -18.851 28.489 -13.057 1.00 0.00 C ATOM 873 O CYS A 57 -19.737 28.022 -12.337 1.00 0.00 O ATOM 874 CB CYS A 57 -18.425 30.981 -13.146 1.00 0.00 C ATOM 875 SG CYS A 57 -18.330 32.377 -14.290 1.00 0.00 S ATOM 0 H CYS A 57 -20.907 30.618 -13.307 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.600 29.624 -14.820 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -19.007 31.257 -12.267 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.427 30.715 -12.797 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.783 33.393 -13.691 1.00 0.00 H new ATOM 881 N ARG A 58 -17.631 27.936 -13.123 1.00 0.00 N ATOM 882 CA ARG A 58 -17.274 26.641 -12.499 1.00 0.00 C ATOM 883 C ARG A 58 -17.218 26.675 -10.961 1.00 0.00 C ATOM 884 O ARG A 58 -17.205 25.620 -10.329 1.00 0.00 O ATOM 885 CB ARG A 58 -15.973 26.076 -13.105 1.00 0.00 C ATOM 886 CG ARG A 58 -16.013 26.011 -14.641 1.00 0.00 C ATOM 887 CD ARG A 58 -14.790 25.291 -15.225 1.00 0.00 C ATOM 888 NE ARG A 58 -14.805 25.340 -16.703 1.00 0.00 N ATOM 889 CZ ARG A 58 -14.451 26.362 -17.464 1.00 0.00 C ATOM 890 NH1 ARG A 58 -13.921 27.446 -16.981 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.625 26.347 -18.751 1.00 0.00 N ATOM 0 H ARG A 58 -16.852 28.375 -13.615 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.093 25.962 -12.736 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.133 26.696 -12.793 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.796 25.077 -12.708 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.920 25.496 -14.957 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.063 27.022 -15.044 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.877 25.755 -14.851 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.780 24.253 -14.892 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.121 24.499 -17.185 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.763 27.533 -15.977 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.663 28.210 -17.606 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.044 25.532 -19.199 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.342 27.150 -19.313 1.00 0.00 H new ATOM 905 N ASN A 59 -17.269 27.868 -10.357 1.00 0.00 N ATOM 906 CA ASN A 59 -17.499 28.056 -8.916 1.00 0.00 C ATOM 907 C ASN A 59 -18.941 27.672 -8.485 1.00 0.00 C ATOM 908 O ASN A 59 -19.219 27.458 -7.305 1.00 0.00 O ATOM 909 CB ASN A 59 -17.193 29.529 -8.599 1.00 0.00 C ATOM 910 CG ASN A 59 -17.363 29.960 -7.148 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.162 29.212 -6.203 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.677 31.218 -6.934 1.00 0.00 N ATOM 0 H ASN A 59 -17.150 28.746 -10.863 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.846 27.391 -8.351 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.166 29.736 -8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.838 30.153 -9.218 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.753 31.569 -5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.845 31.843 -7.722 1.00 0.00 H new ATOM 919 N GLY A 60 -19.866 27.573 -9.445 1.00 0.00 N ATOM 920 CA GLY A 60 -21.300 27.342 -9.225 1.00 0.00 C ATOM 921 C GLY A 60 -22.116 28.633 -9.071 1.00 0.00 C ATOM 922 O GLY A 60 -23.273 28.577 -8.647 1.00 0.00 O ATOM 0 H GLY A 60 -19.629 27.654 -10.434 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.699 26.768 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.428 26.733 -8.330 1.00 0.00 H new ATOM 926 N MET A 61 -21.528 29.791 -9.404 1.00 0.00 N ATOM 927 CA MET A 61 -22.159 31.112 -9.354 1.00 0.00 C ATOM 928 C MET A 61 -22.342 31.697 -10.763 1.00 0.00 C ATOM 929 O MET A 61 -21.522 31.477 -11.656 1.00 0.00 O ATOM 930 CB MET A 61 -21.322 32.019 -8.434 1.00 0.00 C ATOM 931 CG MET A 61 -21.991 33.359 -8.096 1.00 0.00 C ATOM 932 SD MET A 61 -23.656 33.275 -7.375 1.00 0.00 S ATOM 933 CE MET A 61 -23.268 32.597 -5.737 1.00 0.00 C ATOM 0 H MET A 61 -20.562 29.831 -9.728 1.00 0.00 H new ATOM 0 HA MET A 61 -23.164 31.032 -8.939 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.114 31.485 -7.507 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.362 32.215 -8.911 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.345 33.897 -7.402 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.044 33.954 -9.008 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.188 32.483 -5.163 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.788 31.625 -5.850 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.595 33.275 -5.213 1.00 0.00 H new ATOM 943 N GLU A 62 -23.412 32.464 -10.966 1.00 0.00 N ATOM 944 CA GLU A 62 -23.690 33.175 -12.220 1.00 0.00 C ATOM 945 C GLU A 62 -22.661 34.296 -12.435 1.00 0.00 C ATOM 946 O GLU A 62 -22.633 35.287 -11.698 1.00 0.00 O ATOM 947 CB GLU A 62 -25.128 33.720 -12.221 1.00 0.00 C ATOM 948 CG GLU A 62 -26.173 32.595 -12.253 1.00 0.00 C ATOM 949 CD GLU A 62 -27.603 33.167 -12.282 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.185 33.418 -11.197 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.163 33.364 -13.389 1.00 0.00 O ATOM 0 H GLU A 62 -24.125 32.614 -10.252 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.601 32.476 -13.052 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.283 34.333 -11.333 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.268 34.369 -13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -26.011 31.969 -13.130 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.051 31.956 -11.378 1.00 0.00 H new ATOM 958 N GLY A 63 -21.783 34.117 -13.424 1.00 0.00 N ATOM 959 CA GLY A 63 -20.749 35.080 -13.796 1.00 0.00 C ATOM 960 C GLY A 63 -21.225 36.102 -14.831 1.00 0.00 C ATOM 961 O GLY A 63 -22.015 35.771 -15.717 1.00 0.00 O ATOM 0 H GLY A 63 -21.773 33.277 -14.002 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.413 35.606 -12.903 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.887 34.544 -14.193 1.00 0.00 H new ATOM 965 N THR A 64 -20.692 37.325 -14.783 1.00 0.00 N ATOM 966 CA THR A 64 -20.986 38.390 -15.764 1.00 0.00 C ATOM 967 C THR A 64 -19.784 38.696 -16.655 1.00 0.00 C ATOM 968 O THR A 64 -18.651 38.744 -16.177 1.00 0.00 O ATOM 969 CB THR A 64 -21.472 39.674 -15.073 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.603 39.392 -14.273 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.878 40.774 -16.063 1.00 0.00 C ATOM 0 H THR A 64 -20.036 37.614 -14.057 1.00 0.00 H new ATOM 0 HA THR A 64 -21.788 38.013 -16.399 1.00 0.00 H new ATOM 0 HB THR A 64 -20.631 40.031 -14.479 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.907 40.214 -13.834 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.212 41.654 -15.513 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.022 41.038 -16.685 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.689 40.413 -16.696 1.00 0.00 H new ATOM 979 N LEU A 65 -20.039 38.885 -17.952 1.00 0.00 N ATOM 980 CA LEU A 65 -19.041 38.997 -19.021 1.00 0.00 C ATOM 981 C LEU A 65 -18.080 40.181 -18.789 1.00 0.00 C ATOM 982 O LEU A 65 -18.509 41.336 -18.712 1.00 0.00 O ATOM 983 CB LEU A 65 -19.831 39.096 -20.343 1.00 0.00 C ATOM 984 CG LEU A 65 -19.095 38.963 -21.694 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.082 39.341 -22.803 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.857 39.838 -21.884 1.00 0.00 C ATOM 0 H LEU A 65 -20.993 38.968 -18.303 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.385 38.127 -19.047 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.603 38.327 -20.318 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.340 40.060 -20.345 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.741 37.932 -21.724 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.590 39.257 -23.772 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.940 38.669 -22.772 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.420 40.367 -22.656 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.430 39.655 -22.870 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.137 40.888 -21.800 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.120 39.597 -21.118 1.00 0.00 H new ATOM 998 N ILE A 66 -16.778 39.889 -18.724 1.00 0.00 N ATOM 999 CA ILE A 66 -15.665 40.853 -18.763 1.00 0.00 C ATOM 1000 C ILE A 66 -14.663 40.471 -19.864 1.00 0.00 C ATOM 1001 O ILE A 66 -14.500 39.296 -20.198 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.962 41.019 -17.392 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.193 39.772 -16.891 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.930 41.553 -16.320 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -15.050 38.603 -16.430 1.00 0.00 C ATOM 0 H ILE A 66 -16.451 38.927 -18.638 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.093 41.827 -19.001 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.189 41.766 -17.570 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.541 39.425 -17.692 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.550 40.074 -16.064 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.402 41.657 -15.372 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.315 42.525 -16.629 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.759 40.856 -16.199 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.406 37.787 -16.101 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.684 38.921 -15.602 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.675 38.262 -17.255 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.967 41.456 -20.433 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.954 41.221 -21.472 1.00 0.00 C ATOM 1019 C GLU A 67 -11.624 40.762 -20.850 1.00 0.00 C ATOM 1020 O GLU A 67 -11.016 41.483 -20.053 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.765 42.479 -22.337 1.00 0.00 C ATOM 1022 CG GLU A 67 -14.024 42.824 -23.147 1.00 0.00 C ATOM 1023 CD GLU A 67 -13.810 44.095 -23.992 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -13.971 45.220 -23.457 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -13.493 43.980 -25.201 1.00 0.00 O ATOM 0 H GLU A 67 -14.087 42.439 -20.190 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.306 40.419 -22.120 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.505 43.322 -21.697 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.928 42.326 -23.018 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.281 41.989 -23.799 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.866 42.971 -22.471 1.00 0.00 H new ATOM 1032 N GLY A 68 -11.148 39.571 -21.232 1.00 0.00 N ATOM 1033 CA GLY A 68 -9.898 38.962 -20.750 1.00 0.00 C ATOM 1034 C GLY A 68 -8.629 39.545 -21.387 1.00 0.00 C ATOM 1035 O GLY A 68 -7.809 38.796 -21.916 1.00 0.00 O ATOM 0 H GLY A 68 -11.637 38.984 -21.907 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.839 39.087 -19.669 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.930 37.890 -20.945 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.500 40.878 -21.397 1.00 0.00 N ATOM 1040 CA ASP A 69 -7.475 41.643 -22.132 1.00 0.00 C ATOM 1041 C ASP A 69 -7.412 41.279 -23.637 1.00 0.00 C ATOM 1042 O ASP A 69 -6.343 41.187 -24.248 1.00 0.00 O ATOM 1043 CB ASP A 69 -6.126 41.581 -21.388 1.00 0.00 C ATOM 1044 CG ASP A 69 -5.093 42.596 -21.914 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -5.458 43.773 -22.158 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -3.895 42.240 -22.032 1.00 0.00 O ATOM 0 H ASP A 69 -9.132 41.482 -20.872 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.767 42.693 -22.145 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.296 41.763 -20.327 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.715 40.575 -21.478 1.00 0.00 H new ATOM 1051 N LEU A 70 -8.585 41.020 -24.229 1.00 0.00 N ATOM 1052 CA LEU A 70 -8.753 40.517 -25.597 1.00 0.00 C ATOM 1053 C LEU A 70 -8.438 41.614 -26.643 1.00 0.00 C ATOM 1054 O LEU A 70 -9.040 42.692 -26.576 1.00 0.00 O ATOM 1055 CB LEU A 70 -10.194 39.992 -25.757 1.00 0.00 C ATOM 1056 CG LEU A 70 -10.510 38.730 -24.930 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -12.021 38.512 -24.839 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -9.883 37.486 -25.559 1.00 0.00 C ATOM 0 H LEU A 70 -9.475 41.160 -23.750 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.048 39.704 -25.772 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.889 40.782 -25.471 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.373 39.775 -26.810 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.093 38.884 -23.935 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.225 37.617 -24.252 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.485 39.374 -24.359 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.432 38.390 -25.841 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.123 36.612 -24.954 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.277 37.349 -26.566 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.801 37.608 -25.607 1.00 0.00 H new ATOM 1070 N PRO A 71 -7.542 41.370 -27.623 1.00 0.00 N ATOM 1071 CA PRO A 71 -7.137 42.391 -28.595 1.00 0.00 C ATOM 1072 C PRO A 71 -8.156 42.589 -29.731 1.00 0.00 C ATOM 1073 O PRO A 71 -8.427 43.726 -30.121 1.00 0.00 O ATOM 1074 CB PRO A 71 -5.771 41.926 -29.114 1.00 0.00 C ATOM 1075 CG PRO A 71 -5.822 40.404 -28.979 1.00 0.00 C ATOM 1076 CD PRO A 71 -6.700 40.186 -27.747 1.00 0.00 C ATOM 0 HA PRO A 71 -7.083 43.374 -28.128 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.613 42.230 -30.149 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.956 42.351 -28.529 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.250 39.936 -29.865 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.827 39.979 -28.844 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.308 39.288 -27.858 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.089 40.049 -26.855 1.00 0.00 H new ATOM 1084 N GLU A 72 -8.733 41.504 -30.261 1.00 0.00 N ATOM 1085 CA GLU A 72 -9.668 41.516 -31.395 1.00 0.00 C ATOM 1086 C GLU A 72 -10.840 40.505 -31.269 1.00 0.00 C ATOM 1087 O GLU A 72 -11.013 39.642 -32.135 1.00 0.00 O ATOM 1088 CB GLU A 72 -8.841 41.368 -32.689 1.00 0.00 C ATOM 1089 CG GLU A 72 -7.973 40.103 -32.814 1.00 0.00 C ATOM 1090 CD GLU A 72 -7.213 40.095 -34.155 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -6.093 40.658 -34.230 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -7.722 39.517 -35.149 1.00 0.00 O ATOM 0 H GLU A 72 -8.558 40.565 -29.903 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.195 42.470 -31.413 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.527 41.395 -33.536 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.190 42.238 -32.778 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.263 40.060 -31.988 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.602 39.216 -32.741 1.00 0.00 H new ATOM 1099 N PRO A 73 -11.694 40.597 -30.227 1.00 0.00 N ATOM 1100 CA PRO A 73 -12.866 39.730 -30.031 1.00 0.00 C ATOM 1101 C PRO A 73 -14.056 40.150 -30.921 1.00 0.00 C ATOM 1102 O PRO A 73 -15.142 40.506 -30.454 1.00 0.00 O ATOM 1103 CB PRO A 73 -13.156 39.811 -28.534 1.00 0.00 C ATOM 1104 CG PRO A 73 -12.807 41.264 -28.221 1.00 0.00 C ATOM 1105 CD PRO A 73 -11.579 41.512 -29.096 1.00 0.00 C ATOM 0 HA PRO A 73 -12.682 38.700 -30.336 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.198 39.584 -28.307 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.546 39.112 -27.962 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.625 41.940 -28.471 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.586 41.408 -27.163 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.545 42.547 -29.435 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.660 41.329 -28.539 1.00 0.00 H new ATOM 1113 N LYS A 74 -13.823 40.124 -32.234 1.00 0.00 N ATOM 1114 CA LYS A 74 -14.742 40.537 -33.309 1.00 0.00 C ATOM 1115 C LYS A 74 -14.864 39.447 -34.386 1.00 0.00 C ATOM 1116 O LYS A 74 -13.879 38.789 -34.731 1.00 0.00 O ATOM 1117 CB LYS A 74 -14.254 41.885 -33.878 1.00 0.00 C ATOM 1118 CG LYS A 74 -15.186 42.551 -34.910 1.00 0.00 C ATOM 1119 CD LYS A 74 -16.504 43.098 -34.334 1.00 0.00 C ATOM 1120 CE LYS A 74 -16.271 44.330 -33.447 1.00 0.00 C ATOM 1121 NZ LYS A 74 -17.550 44.889 -32.933 1.00 0.00 N ATOM 0 H LYS A 74 -12.932 39.794 -32.604 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.748 40.672 -32.912 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.107 42.577 -33.049 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.279 41.731 -34.341 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.648 43.369 -35.389 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.420 41.825 -35.688 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -17.177 43.360 -35.151 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.997 42.319 -33.752 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.630 44.058 -32.608 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.743 45.094 -34.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.352 45.719 -32.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.152 45.171 -33.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -18.042 44.168 -32.368 1.00 0.00 H new ATOM 1135 N LYS A 75 -16.077 39.278 -34.920 1.00 0.00 N ATOM 1136 CA LYS A 75 -16.451 38.323 -35.981 1.00 0.00 C ATOM 1137 C LYS A 75 -17.515 38.927 -36.905 1.00 0.00 C ATOM 1138 O LYS A 75 -18.290 39.780 -36.471 1.00 0.00 O ATOM 1139 CB LYS A 75 -16.911 36.988 -35.358 1.00 0.00 C ATOM 1140 CG LYS A 75 -18.074 37.128 -34.358 1.00 0.00 C ATOM 1141 CD LYS A 75 -18.422 35.788 -33.698 1.00 0.00 C ATOM 1142 CE LYS A 75 -19.365 34.924 -34.541 1.00 0.00 C ATOM 1143 NZ LYS A 75 -19.356 33.530 -34.044 1.00 0.00 N ATOM 0 H LYS A 75 -16.874 39.833 -34.609 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.576 38.114 -36.597 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -17.213 36.311 -36.157 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.064 36.525 -34.851 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.807 37.853 -33.589 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -18.952 37.518 -34.873 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.502 35.234 -33.511 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -18.883 35.977 -32.729 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.377 35.327 -34.498 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.056 34.948 -35.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.329 33.164 -34.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.779 32.940 -34.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.953 33.506 -33.085 1.00 0.00 H new ATOM 1157 N VAL A 76 -17.541 38.493 -38.167 1.00 0.00 N ATOM 1158 CA VAL A 76 -18.445 39.007 -39.215 1.00 0.00 C ATOM 1159 C VAL A 76 -19.218 37.900 -39.904 1.00 0.00 C ATOM 1160 O VAL A 76 -18.639 36.988 -40.494 1.00 0.00 O ATOM 1161 CB VAL A 76 -17.733 39.945 -40.214 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -17.334 41.261 -39.536 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -16.468 39.355 -40.857 1.00 0.00 C ATOM 0 H VAL A 76 -16.921 37.756 -38.503 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.183 39.624 -38.702 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.467 40.102 -41.005 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.834 41.906 -40.259 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -18.226 41.761 -39.159 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.658 41.053 -38.707 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -16.035 40.083 -41.543 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.743 39.114 -40.079 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -16.727 38.449 -41.405 1.00 0.00 H new ATOM 1173 N LYS A 77 -20.553 37.931 -39.856 1.00 0.00 N ATOM 1174 CA LYS A 77 -21.503 38.771 -39.083 1.00 0.00 C ATOM 1175 C LYS A 77 -21.359 38.553 -37.552 1.00 0.00 C ATOM 1176 O LYS A 77 -20.852 37.494 -37.168 1.00 0.00 O ATOM 1177 CB LYS A 77 -22.933 38.445 -39.563 1.00 0.00 C ATOM 1178 CG LYS A 77 -23.159 38.870 -41.026 1.00 0.00 C ATOM 1179 CD LYS A 77 -24.623 38.664 -41.448 1.00 0.00 C ATOM 1180 CE LYS A 77 -24.910 39.212 -42.854 1.00 0.00 C ATOM 1181 NZ LYS A 77 -24.230 38.434 -43.925 1.00 0.00 N ATOM 0 H LYS A 77 -21.076 37.277 -40.439 1.00 0.00 H new ATOM 0 HA LYS A 77 -21.280 39.823 -39.260 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -23.114 37.375 -39.464 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -23.655 38.951 -38.922 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -22.887 39.918 -41.148 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -22.505 38.293 -41.680 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.860 37.600 -41.420 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -25.278 39.155 -40.729 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -25.986 39.202 -43.031 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -24.588 40.252 -42.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.458 38.847 -44.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.201 38.464 -43.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -24.555 37.447 -43.896 1.00 0.00 H new ATOM 1195 N PRO A 78 -21.788 39.486 -36.668 1.00 0.00 N ATOM 1196 CA PRO A 78 -22.512 40.751 -36.917 1.00 0.00 C ATOM 1197 C PRO A 78 -21.722 41.817 -37.713 1.00 0.00 C ATOM 1198 O PRO A 78 -20.508 41.664 -37.871 1.00 0.00 O ATOM 1199 CB PRO A 78 -22.910 41.271 -35.524 1.00 0.00 C ATOM 1200 CG PRO A 78 -22.871 40.037 -34.631 1.00 0.00 C ATOM 1201 CD PRO A 78 -21.708 39.259 -35.228 1.00 0.00 C ATOM 0 HA PRO A 78 -23.368 40.553 -37.562 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -22.218 42.037 -35.173 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -23.903 41.721 -35.537 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -22.698 40.294 -33.586 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -23.803 39.474 -34.671 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -20.756 39.607 -34.828 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -21.784 38.197 -34.993 1.00 0.00 H new ATOM 1209 N PRO A 79 -22.353 42.897 -38.227 1.00 0.00 N ATOM 1210 CA PRO A 79 -23.752 43.312 -38.039 1.00 0.00 C ATOM 1211 C PRO A 79 -24.782 42.403 -38.735 1.00 0.00 C ATOM 1212 O PRO A 79 -24.444 41.629 -39.632 1.00 0.00 O ATOM 1213 CB PRO A 79 -23.819 44.748 -38.578 1.00 0.00 C ATOM 1214 CG PRO A 79 -22.741 44.767 -39.658 1.00 0.00 C ATOM 1215 CD PRO A 79 -21.659 43.881 -39.049 1.00 0.00 C ATOM 0 HA PRO A 79 -24.022 43.241 -36.985 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -24.803 44.979 -38.987 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -23.619 45.481 -37.797 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -23.107 44.370 -40.605 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -22.378 45.776 -39.854 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -21.072 43.393 -39.827 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -20.966 44.470 -38.449 1.00 0.00 H new ATOM 1223 N ARG A 80 -26.046 42.500 -38.299 1.00 0.00 N ATOM 1224 CA ARG A 80 -27.208 41.725 -38.786 1.00 0.00 C ATOM 1225 C ARG A 80 -28.411 42.634 -39.072 1.00 0.00 C ATOM 1226 O ARG A 80 -28.727 43.501 -38.225 1.00 0.00 O ATOM 1227 CB ARG A 80 -27.579 40.628 -37.769 1.00 0.00 C ATOM 1228 CG ARG A 80 -26.534 39.501 -37.706 1.00 0.00 C ATOM 1229 CD ARG A 80 -26.889 38.409 -36.688 1.00 0.00 C ATOM 1230 NE ARG A 80 -26.733 38.873 -35.295 1.00 0.00 N ATOM 1231 CZ ARG A 80 -26.435 38.129 -34.247 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -26.279 36.842 -34.328 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -26.276 38.667 -33.076 1.00 0.00 N ATOM 1234 OXT ARG A 80 -29.025 42.479 -40.151 1.00 0.00 O ATOM 0 H ARG A 80 -26.304 43.153 -37.559 1.00 0.00 H new ATOM 0 HA ARG A 80 -26.928 41.251 -39.727 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -27.685 41.075 -36.781 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -28.548 40.205 -38.034 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -26.434 39.050 -38.693 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -25.564 39.927 -37.450 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -27.918 38.086 -36.848 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -26.252 37.540 -36.853 1.00 0.00 H new ATOM 0 HE ARG A 80 -26.869 39.870 -35.126 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -26.387 36.371 -35.226 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -26.049 36.303 -33.493 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -26.381 39.675 -32.959 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -26.046 38.082 -32.273 1.00 0.00 H new TER 1248 ARG A 80