USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 681 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 47 TYR OH : rot -93:sc= 0.714 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -2.75 K(o=-2,f=-2.7) USER MOD Single : A 1 MET CE :methyl -174:sc= -0.0464 (180deg=-0.161) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0116 (180deg=-0.0422) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.33 K(o=-1.3,f=0) USER MOD Single : A 61 THR OG1 : rot -73:sc= 0.00363 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.737 2.768 9.338 1.00 0.00 N ATOM 2 CA MET A 1 -16.330 2.736 7.938 1.00 0.00 C ATOM 3 C MET A 1 -16.044 1.307 7.487 1.00 0.00 C ATOM 4 O MET A 1 -15.535 0.494 8.258 1.00 0.00 O ATOM 5 CB MET A 1 -15.091 3.608 7.724 1.00 0.00 C ATOM 6 CG MET A 1 -15.334 5.085 7.993 1.00 0.00 C ATOM 7 SD MET A 1 -13.956 6.122 7.466 1.00 0.00 S ATOM 8 CE MET A 1 -12.679 5.593 8.605 1.00 0.00 C ATOM 0 H1 MET A 1 -17.677 3.205 9.416 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.774 1.798 9.711 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.050 3.324 9.887 1.00 0.00 H new ATOM 0 HA MET A 1 -17.151 3.130 7.339 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.291 3.255 8.375 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.744 3.486 6.698 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.240 5.400 7.475 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.508 5.233 9.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.795 6.218 8.477 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.043 5.685 9.628 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.420 4.553 8.404 1.00 0.00 H new ATOM 18 N ARG A 2 -16.375 1.009 6.235 1.00 0.00 N ATOM 19 CA ARG A 2 -16.155 -0.323 5.684 1.00 0.00 C ATOM 20 C ARG A 2 -14.742 -0.451 5.122 1.00 0.00 C ATOM 21 O ARG A 2 -14.494 -0.136 3.957 1.00 0.00 O ATOM 22 CB ARG A 2 -17.180 -0.620 4.588 1.00 0.00 C ATOM 23 CG ARG A 2 -18.621 -0.537 5.063 1.00 0.00 C ATOM 24 CD ARG A 2 -19.563 -1.260 4.113 1.00 0.00 C ATOM 25 NE ARG A 2 -19.665 -0.583 2.823 1.00 0.00 N ATOM 26 CZ ARG A 2 -20.503 -0.955 1.862 1.00 0.00 C ATOM 27 NH1 ARG A 2 -21.309 -1.991 2.045 1.00 0.00 N ATOM 28 NH2 ARG A 2 -20.537 -0.288 0.715 1.00 0.00 N ATOM 0 H ARG A 2 -16.796 1.671 5.583 1.00 0.00 H new ATOM 0 HA ARG A 2 -16.275 -1.047 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -17.036 0.083 3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -16.995 -1.617 4.190 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -18.703 -0.972 6.059 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -18.918 0.508 5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -19.211 -2.280 3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -20.552 -1.329 4.566 1.00 0.00 H new ATOM 0 HE ARG A 2 -19.059 0.220 2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -21.287 -2.505 2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -21.951 -2.274 1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -19.919 0.511 0.571 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -21.181 -0.574 -0.023 1.00 0.00 H new ATOM 42 N LEU A 3 -13.819 -0.916 5.957 1.00 0.00 N ATOM 43 CA LEU A 3 -12.430 -1.087 5.544 1.00 0.00 C ATOM 44 C LEU A 3 -11.926 -2.484 5.891 1.00 0.00 C ATOM 45 O LEU A 3 -12.434 -3.128 6.810 1.00 0.00 O ATOM 46 CB LEU A 3 -11.546 -0.033 6.213 1.00 0.00 C ATOM 47 CG LEU A 3 -11.950 1.425 5.986 1.00 0.00 C ATOM 48 CD1 LEU A 3 -11.122 2.351 6.863 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.797 1.799 4.519 1.00 0.00 C ATOM 0 H LEU A 3 -14.007 -1.181 6.924 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.380 -0.962 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.537 -0.224 7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.524 -0.166 5.857 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.998 1.538 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.423 3.384 6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.282 2.099 7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.066 2.235 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.089 2.839 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.758 1.669 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.435 1.157 3.911 1.00 0.00 H new ATOM 61 N VAL A 4 -10.923 -2.947 5.151 1.00 0.00 N ATOM 62 CA VAL A 4 -10.348 -4.266 5.383 1.00 0.00 C ATOM 63 C VAL A 4 -8.847 -4.265 5.118 1.00 0.00 C ATOM 64 O VAL A 4 -8.379 -3.672 4.148 1.00 0.00 O ATOM 65 CB VAL A 4 -11.015 -5.333 4.493 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.492 -5.465 4.833 1.00 0.00 C ATOM 67 CG2 VAL A 4 -10.825 -4.993 3.023 1.00 0.00 C ATOM 0 H VAL A 4 -10.492 -2.428 4.386 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.529 -4.511 6.430 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.536 -6.293 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.946 -6.223 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.600 -5.758 5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -12.989 -4.509 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.302 -5.756 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.276 -4.023 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.760 -4.955 2.793 1.00 0.00 H new ATOM 77 N GLU A 5 -8.098 -4.935 5.989 1.00 0.00 N ATOM 78 CA GLU A 5 -6.648 -5.011 5.848 1.00 0.00 C ATOM 79 C GLU A 5 -6.261 -5.924 4.689 1.00 0.00 C ATOM 80 O GLU A 5 -6.592 -7.110 4.682 1.00 0.00 O ATOM 81 CB GLU A 5 -6.014 -5.518 7.145 1.00 0.00 C ATOM 82 CG GLU A 5 -4.506 -5.681 7.062 1.00 0.00 C ATOM 83 CD GLU A 5 -3.880 -6.010 8.403 1.00 0.00 C ATOM 84 OE1 GLU A 5 -3.692 -5.080 9.215 1.00 0.00 O ATOM 85 OE2 GLU A 5 -3.578 -7.198 8.641 1.00 0.00 O ATOM 0 H GLU A 5 -8.470 -5.432 6.798 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.276 -4.008 5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.252 -4.824 7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.461 -6.477 7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.268 -6.472 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.066 -4.762 6.675 1.00 0.00 H new ATOM 92 N ILE A 6 -5.559 -5.363 3.711 1.00 0.00 N ATOM 93 CA ILE A 6 -5.126 -6.126 2.547 1.00 0.00 C ATOM 94 C ILE A 6 -3.658 -6.523 2.664 1.00 0.00 C ATOM 95 O ILE A 6 -3.278 -7.643 2.326 1.00 0.00 O ATOM 96 CB ILE A 6 -5.328 -5.329 1.244 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.735 -3.925 1.383 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.806 -5.254 0.893 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.786 -3.119 0.104 1.00 0.00 C ATOM 0 H ILE A 6 -5.278 -4.383 3.701 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.741 -7.025 2.513 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.809 -5.844 0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.273 -3.387 2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.698 -4.008 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.933 -4.688 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.199 -6.261 0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.347 -4.759 1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.349 -2.135 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.223 -3.635 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.823 -3.005 -0.213 1.00 0.00 H new ATOM 111 N GLY A 7 -2.837 -5.596 3.148 1.00 0.00 N ATOM 112 CA GLY A 7 -1.420 -5.868 3.304 1.00 0.00 C ATOM 113 C GLY A 7 -0.757 -4.941 4.303 1.00 0.00 C ATOM 114 O GLY A 7 -1.379 -3.996 4.790 1.00 0.00 O ATOM 0 H GLY A 7 -3.128 -4.661 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.285 -6.900 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.926 -5.769 2.338 1.00 0.00 H new ATOM 118 N ARG A 8 0.507 -5.212 4.612 1.00 0.00 N ATOM 119 CA ARG A 8 1.253 -4.396 5.562 1.00 0.00 C ATOM 120 C ARG A 8 2.630 -4.041 5.010 1.00 0.00 C ATOM 121 O ARG A 8 3.247 -4.831 4.296 1.00 0.00 O ATOM 122 CB ARG A 8 1.400 -5.134 6.894 1.00 0.00 C ATOM 123 CG ARG A 8 2.122 -4.327 7.961 1.00 0.00 C ATOM 124 CD ARG A 8 2.293 -5.126 9.243 1.00 0.00 C ATOM 125 NE ARG A 8 3.486 -5.968 9.209 1.00 0.00 N ATOM 126 CZ ARG A 8 3.745 -6.913 10.105 1.00 0.00 C ATOM 127 NH1 ARG A 8 2.899 -7.136 11.101 1.00 0.00 N ATOM 128 NH2 ARG A 8 4.852 -7.638 10.006 1.00 0.00 N ATOM 0 H ARG A 8 1.036 -5.990 4.218 1.00 0.00 H new ATOM 0 HA ARG A 8 0.697 -3.473 5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.410 -5.403 7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.941 -6.065 6.726 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.100 -4.021 7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.562 -3.416 8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.356 -4.443 10.090 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.413 -5.750 9.401 1.00 0.00 H new ATOM 0 HE ARG A 8 4.157 -5.822 8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.047 -6.581 11.180 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.100 -7.863 11.788 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.505 -7.470 9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.050 -8.364 10.695 1.00 0.00 H new ATOM 142 N PHE A 9 3.106 -2.846 5.346 1.00 0.00 N ATOM 143 CA PHE A 9 4.410 -2.385 4.882 1.00 0.00 C ATOM 144 C PHE A 9 5.535 -3.117 5.608 1.00 0.00 C ATOM 145 O PHE A 9 5.454 -3.367 6.810 1.00 0.00 O ATOM 146 CB PHE A 9 4.546 -0.876 5.096 1.00 0.00 C ATOM 147 CG PHE A 9 3.570 -0.066 4.292 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.373 -0.331 2.946 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.849 0.960 4.881 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.476 0.414 2.203 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.950 1.707 4.144 1.00 0.00 C ATOM 152 CZ PHE A 9 1.763 1.433 2.803 1.00 0.00 C ATOM 0 H PHE A 9 2.609 -2.180 5.937 1.00 0.00 H new ATOM 0 HA PHE A 9 4.487 -2.602 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.406 -0.653 6.154 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.560 -0.570 4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.926 -1.128 2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.991 1.179 5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.333 0.199 1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.394 2.504 4.616 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.060 2.015 2.225 1.00 0.00 H new ATOM 162 N GLY A 10 6.585 -3.458 4.868 1.00 0.00 N ATOM 163 CA GLY A 10 7.712 -4.159 5.457 1.00 0.00 C ATOM 164 C GLY A 10 8.947 -3.287 5.559 1.00 0.00 C ATOM 165 O GLY A 10 9.135 -2.578 6.547 1.00 0.00 O ATOM 0 H GLY A 10 6.676 -3.262 3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.437 -4.512 6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.941 -5.040 4.858 1.00 0.00 H new ATOM 169 N ALA A 11 9.793 -3.339 4.535 1.00 0.00 N ATOM 170 CA ALA A 11 11.017 -2.548 4.514 1.00 0.00 C ATOM 171 C ALA A 11 10.937 -1.441 3.469 1.00 0.00 C ATOM 172 O ALA A 11 10.300 -1.584 2.425 1.00 0.00 O ATOM 173 CB ALA A 11 12.219 -3.442 4.248 1.00 0.00 C ATOM 0 H ALA A 11 9.653 -3.921 3.709 1.00 0.00 H new ATOM 0 HA ALA A 11 11.135 -2.081 5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.126 -2.838 4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.295 -4.193 5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.099 -3.936 3.284 1.00 0.00 H new ATOM 179 N PRO A 12 11.596 -0.308 3.754 1.00 0.00 N ATOM 180 CA PRO A 12 11.614 0.846 2.850 1.00 0.00 C ATOM 181 C PRO A 12 12.421 0.579 1.584 1.00 0.00 C ATOM 182 O PRO A 12 13.644 0.445 1.633 1.00 0.00 O ATOM 183 CB PRO A 12 12.279 1.942 3.687 1.00 0.00 C ATOM 184 CG PRO A 12 13.115 1.207 4.677 1.00 0.00 C ATOM 185 CD PRO A 12 12.375 -0.067 4.979 1.00 0.00 C ATOM 0 HA PRO A 12 10.615 1.105 2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.887 2.600 3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.536 2.567 4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.105 0.997 4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.259 1.798 5.581 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.059 -0.889 5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.730 0.040 5.851 1.00 0.00 H new ATOM 193 N TYR A 13 11.730 0.503 0.452 1.00 0.00 N ATOM 194 CA TYR A 13 12.383 0.250 -0.826 1.00 0.00 C ATOM 195 C TYR A 13 13.552 1.207 -1.040 1.00 0.00 C ATOM 196 O TYR A 13 13.808 2.085 -0.218 1.00 0.00 O ATOM 197 CB TYR A 13 11.379 0.390 -1.972 1.00 0.00 C ATOM 198 CG TYR A 13 11.818 -0.293 -3.248 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.810 -1.678 -3.356 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.241 0.447 -4.345 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.211 -2.306 -4.519 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.641 -0.172 -5.513 1.00 0.00 C ATOM 203 CZ TYR A 13 12.625 -1.549 -5.595 1.00 0.00 C ATOM 204 OH TYR A 13 13.025 -2.170 -6.756 1.00 0.00 O ATOM 0 H TYR A 13 10.718 0.613 0.394 1.00 0.00 H new ATOM 0 HA TYR A 13 12.769 -0.769 -0.812 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.422 -0.026 -1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.216 1.449 -2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.485 -2.274 -2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.257 1.525 -4.283 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.200 -3.384 -4.585 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.964 0.419 -6.357 1.00 0.00 H new ATOM 0 HH TYR A 13 13.285 -1.494 -7.416 1.00 0.00 H new ATOM 214 N ALA A 14 14.258 1.029 -2.152 1.00 0.00 N ATOM 215 CA ALA A 14 15.398 1.877 -2.477 1.00 0.00 C ATOM 216 C ALA A 14 15.090 3.343 -2.195 1.00 0.00 C ATOM 217 O ALA A 14 13.927 3.732 -2.076 1.00 0.00 O ATOM 218 CB ALA A 14 15.797 1.690 -3.933 1.00 0.00 C ATOM 0 H ALA A 14 14.060 0.305 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 14 16.233 1.580 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.650 2.329 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.068 0.648 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.959 1.958 -4.577 1.00 0.00 H new ATOM 224 N LEU A 15 16.137 4.153 -2.088 1.00 0.00 N ATOM 225 CA LEU A 15 15.978 5.578 -1.819 1.00 0.00 C ATOM 226 C LEU A 15 14.856 6.170 -2.666 1.00 0.00 C ATOM 227 O LEU A 15 14.187 7.119 -2.255 1.00 0.00 O ATOM 228 CB LEU A 15 17.287 6.319 -2.097 1.00 0.00 C ATOM 229 CG LEU A 15 18.552 5.688 -1.515 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.773 6.528 -1.854 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.420 5.520 -0.008 1.00 0.00 C ATOM 0 H LEU A 15 17.106 3.848 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 15 15.716 5.697 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.411 6.404 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.198 7.332 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 15 18.680 4.702 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.663 6.063 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.879 6.596 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.654 7.528 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.330 5.069 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.266 6.495 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.569 4.875 0.213 1.00 0.00 H new ATOM 243 N LYS A 16 14.654 5.604 -3.851 1.00 0.00 N ATOM 244 CA LYS A 16 13.610 6.072 -4.755 1.00 0.00 C ATOM 245 C LYS A 16 12.377 6.519 -3.978 1.00 0.00 C ATOM 246 O LYS A 16 11.652 7.416 -4.407 1.00 0.00 O ATOM 247 CB LYS A 16 13.230 4.967 -5.744 1.00 0.00 C ATOM 248 CG LYS A 16 14.355 4.584 -6.690 1.00 0.00 C ATOM 249 CD LYS A 16 14.598 5.662 -7.732 1.00 0.00 C ATOM 250 CE LYS A 16 15.351 5.115 -8.935 1.00 0.00 C ATOM 251 NZ LYS A 16 15.233 6.011 -10.119 1.00 0.00 N ATOM 0 H LYS A 16 15.200 4.820 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 16 13.999 6.927 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.919 4.084 -5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.370 5.294 -6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.269 4.415 -6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.110 3.645 -7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.644 6.077 -8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.166 6.479 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.403 4.989 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.964 4.128 -9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.760 5.603 -10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.231 6.111 -10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.625 6.946 -9.887 1.00 0.00 H new ATOM 265 N GLY A 17 12.145 5.889 -2.830 1.00 0.00 N ATOM 266 CA GLY A 17 10.999 6.238 -2.011 1.00 0.00 C ATOM 267 C GLY A 17 9.929 5.164 -2.023 1.00 0.00 C ATOM 268 O GLY A 17 8.801 5.396 -1.590 1.00 0.00 O ATOM 0 H GLY A 17 12.730 5.143 -2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.327 6.408 -0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.573 7.175 -2.369 1.00 0.00 H new ATOM 272 N GLY A 18 10.283 3.984 -2.523 1.00 0.00 N ATOM 273 CA GLY A 18 9.333 2.889 -2.583 1.00 0.00 C ATOM 274 C GLY A 18 9.155 2.201 -1.244 1.00 0.00 C ATOM 275 O GLY A 18 10.037 2.259 -0.386 1.00 0.00 O ATOM 0 H GLY A 18 11.211 3.767 -2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.369 3.267 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.670 2.160 -3.320 1.00 0.00 H new ATOM 279 N LEU A 19 8.012 1.549 -1.062 1.00 0.00 N ATOM 280 CA LEU A 19 7.721 0.848 0.184 1.00 0.00 C ATOM 281 C LEU A 19 7.245 -0.575 -0.091 1.00 0.00 C ATOM 282 O LEU A 19 6.275 -0.786 -0.819 1.00 0.00 O ATOM 283 CB LEU A 19 6.660 1.608 0.983 1.00 0.00 C ATOM 284 CG LEU A 19 7.148 2.844 1.739 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.978 3.752 2.087 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.901 2.437 2.997 1.00 0.00 C ATOM 0 H LEU A 19 7.272 1.491 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 19 8.640 0.797 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.869 1.914 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.213 0.921 1.701 1.00 0.00 H new ATOM 0 HG LEU A 19 7.831 3.396 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.344 4.627 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.480 4.071 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.271 3.210 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.241 3.329 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.240 1.863 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.762 1.827 2.724 1.00 0.00 H new ATOM 298 N ARG A 20 7.933 -1.547 0.499 1.00 0.00 N ATOM 299 CA ARG A 20 7.580 -2.950 0.319 1.00 0.00 C ATOM 300 C ARG A 20 6.232 -3.259 0.964 1.00 0.00 C ATOM 301 O ARG A 20 6.135 -3.410 2.183 1.00 0.00 O ATOM 302 CB ARG A 20 8.662 -3.851 0.917 1.00 0.00 C ATOM 303 CG ARG A 20 9.903 -3.972 0.048 1.00 0.00 C ATOM 304 CD ARG A 20 10.873 -5.004 0.602 1.00 0.00 C ATOM 305 NE ARG A 20 12.168 -4.954 -0.071 1.00 0.00 N ATOM 306 CZ ARG A 20 13.064 -5.933 -0.013 1.00 0.00 C ATOM 307 NH1 ARG A 20 12.806 -7.032 0.682 1.00 0.00 N ATOM 308 NH2 ARG A 20 14.221 -5.814 -0.653 1.00 0.00 N ATOM 0 H ARG A 20 8.738 -1.389 1.105 1.00 0.00 H new ATOM 0 HA ARG A 20 7.505 -3.145 -0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.949 -3.461 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.245 -4.845 1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.613 -4.251 -0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.399 -3.003 -0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.012 -4.834 1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.445 -6.000 0.491 1.00 0.00 H new ATOM 0 HE ARG A 20 12.397 -4.122 -0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.918 -7.128 1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.496 -7.782 0.725 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.422 -4.970 -1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.908 -6.566 -0.608 1.00 0.00 H new ATOM 322 N PHE A 21 5.194 -3.351 0.140 1.00 0.00 N ATOM 323 CA PHE A 21 3.852 -3.640 0.630 1.00 0.00 C ATOM 324 C PHE A 21 3.458 -5.081 0.319 1.00 0.00 C ATOM 325 O PHE A 21 3.450 -5.497 -0.840 1.00 0.00 O ATOM 326 CB PHE A 21 2.840 -2.676 0.005 1.00 0.00 C ATOM 327 CG PHE A 21 1.418 -3.151 0.108 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.693 -2.960 1.273 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.808 -3.788 -0.960 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.615 -3.395 1.371 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.500 -4.225 -0.868 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.212 -4.029 0.299 1.00 0.00 C ATOM 0 H PHE A 21 5.257 -3.229 -0.871 1.00 0.00 H new ATOM 0 HA PHE A 21 3.850 -3.507 1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.927 -1.705 0.492 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.091 -2.529 -1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.155 -2.465 2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.360 -3.945 -1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.170 -3.239 2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.965 -4.719 -1.708 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.234 -4.371 0.373 1.00 0.00 H new ATOM 342 N ARG A 22 3.132 -5.837 1.362 1.00 0.00 N ATOM 343 CA ARG A 22 2.739 -7.231 1.202 1.00 0.00 C ATOM 344 C ARG A 22 1.251 -7.413 1.487 1.00 0.00 C ATOM 345 O ARG A 22 0.840 -7.539 2.640 1.00 0.00 O ATOM 346 CB ARG A 22 3.560 -8.125 2.133 1.00 0.00 C ATOM 347 CG ARG A 22 3.612 -9.579 1.692 1.00 0.00 C ATOM 348 CD ARG A 22 3.849 -10.510 2.871 1.00 0.00 C ATOM 349 NE ARG A 22 4.117 -11.880 2.441 1.00 0.00 N ATOM 350 CZ ARG A 22 5.266 -12.269 1.902 1.00 0.00 C ATOM 351 NH1 ARG A 22 6.249 -11.397 1.727 1.00 0.00 N ATOM 352 NH2 ARG A 22 5.435 -13.533 1.536 1.00 0.00 N ATOM 0 H ARG A 22 3.132 -5.507 2.327 1.00 0.00 H new ATOM 0 HA ARG A 22 2.932 -7.520 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.576 -7.736 2.193 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.139 -8.074 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.677 -9.845 1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.407 -9.710 0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.690 -10.143 3.459 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.976 -10.499 3.523 1.00 0.00 H new ATOM 0 HE ARG A 22 3.381 -12.576 2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.124 -10.424 2.007 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.131 -11.699 1.313 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.681 -14.207 1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.319 -13.830 1.122 1.00 0.00 H new ATOM 366 N GLY A 23 0.448 -7.425 0.427 1.00 0.00 N ATOM 367 CA GLY A 23 -0.986 -7.591 0.585 1.00 0.00 C ATOM 368 C GLY A 23 -1.594 -8.447 -0.508 1.00 0.00 C ATOM 369 O GLY A 23 -0.911 -8.828 -1.458 1.00 0.00 O ATOM 0 H GLY A 23 0.764 -7.323 -0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.192 -8.045 1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.464 -6.612 0.584 1.00 0.00 H new ATOM 373 N GLU A 24 -2.880 -8.752 -0.371 1.00 0.00 N ATOM 374 CA GLU A 24 -3.579 -9.572 -1.355 1.00 0.00 C ATOM 375 C GLU A 24 -3.319 -9.064 -2.770 1.00 0.00 C ATOM 376 O GLU A 24 -2.985 -7.899 -2.987 1.00 0.00 O ATOM 377 CB GLU A 24 -5.082 -9.578 -1.071 1.00 0.00 C ATOM 378 CG GLU A 24 -5.477 -10.464 0.098 1.00 0.00 C ATOM 379 CD GLU A 24 -5.644 -11.918 -0.301 1.00 0.00 C ATOM 380 OE1 GLU A 24 -4.625 -12.568 -0.615 1.00 0.00 O ATOM 381 OE2 GLU A 24 -6.794 -12.405 -0.299 1.00 0.00 O ATOM 0 H GLU A 24 -3.459 -8.445 0.410 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.198 -10.590 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.409 -8.558 -0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.611 -9.912 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.719 -10.390 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.411 -10.099 0.526 1.00 0.00 H new ATOM 388 N PRO A 25 -3.476 -9.958 -3.757 1.00 0.00 N ATOM 389 CA PRO A 25 -3.263 -9.624 -5.169 1.00 0.00 C ATOM 390 C PRO A 25 -4.339 -8.690 -5.711 1.00 0.00 C ATOM 391 O PRO A 25 -4.170 -8.077 -6.766 1.00 0.00 O ATOM 392 CB PRO A 25 -3.332 -10.983 -5.869 1.00 0.00 C ATOM 393 CG PRO A 25 -4.166 -11.830 -4.971 1.00 0.00 C ATOM 394 CD PRO A 25 -3.872 -11.364 -3.572 1.00 0.00 C ATOM 0 HA PRO A 25 -2.323 -9.096 -5.326 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.779 -10.896 -6.859 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.338 -11.409 -6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.225 -11.721 -5.204 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.920 -12.885 -5.091 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.746 -11.454 -2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.075 -11.949 -3.113 1.00 0.00 H new ATOM 402 N VAL A 26 -5.447 -8.585 -4.984 1.00 0.00 N ATOM 403 CA VAL A 26 -6.551 -7.724 -5.392 1.00 0.00 C ATOM 404 C VAL A 26 -6.150 -6.254 -5.339 1.00 0.00 C ATOM 405 O VAL A 26 -6.857 -5.387 -5.853 1.00 0.00 O ATOM 406 CB VAL A 26 -7.789 -7.939 -4.502 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.493 -7.534 -3.067 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.979 -7.164 -5.049 1.00 0.00 C ATOM 0 H VAL A 26 -5.604 -9.086 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.800 -7.993 -6.419 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.040 -9.000 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.380 -7.693 -2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.672 -8.137 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.215 -6.481 -3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.845 -7.327 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.741 -6.101 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.205 -7.508 -6.058 1.00 0.00 H new ATOM 418 N VAL A 27 -5.009 -5.980 -4.713 1.00 0.00 N ATOM 419 CA VAL A 27 -4.512 -4.614 -4.594 1.00 0.00 C ATOM 420 C VAL A 27 -4.129 -4.048 -5.956 1.00 0.00 C ATOM 421 O VAL A 27 -4.079 -2.831 -6.143 1.00 0.00 O ATOM 422 CB VAL A 27 -3.291 -4.542 -3.658 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.073 -5.170 -4.319 1.00 0.00 C ATOM 424 CG2 VAL A 27 -3.009 -3.100 -3.262 1.00 0.00 C ATOM 0 H VAL A 27 -4.412 -6.685 -4.281 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.321 -4.018 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.514 -5.107 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.220 -5.110 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.282 -6.215 -4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.843 -4.636 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.143 -3.067 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.805 -2.510 -4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.876 -2.688 -2.745 1.00 0.00 H new ATOM 434 N LEU A 28 -3.859 -4.937 -6.906 1.00 0.00 N ATOM 435 CA LEU A 28 -3.480 -4.526 -8.253 1.00 0.00 C ATOM 436 C LEU A 28 -4.647 -3.846 -8.963 1.00 0.00 C ATOM 437 O LEU A 28 -4.507 -3.365 -10.089 1.00 0.00 O ATOM 438 CB LEU A 28 -3.010 -5.735 -9.063 1.00 0.00 C ATOM 439 CG LEU A 28 -1.879 -6.558 -8.446 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.394 -7.617 -9.423 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.730 -5.653 -8.024 1.00 0.00 C ATOM 0 H LEU A 28 -3.896 -5.947 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.661 -3.811 -8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.864 -6.393 -9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.685 -5.386 -10.043 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.264 -7.061 -7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.589 -8.192 -8.966 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.218 -8.284 -9.676 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.026 -7.135 -10.329 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.066 -6.256 -7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.346 -5.122 -8.895 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.086 -4.933 -7.287 1.00 0.00 H new ATOM 453 N HIS A 29 -5.797 -3.807 -8.297 1.00 0.00 N ATOM 454 CA HIS A 29 -6.987 -3.183 -8.864 1.00 0.00 C ATOM 455 C HIS A 29 -7.368 -1.930 -8.081 1.00 0.00 C ATOM 456 O HIS A 29 -8.318 -1.229 -8.435 1.00 0.00 O ATOM 457 CB HIS A 29 -8.154 -4.171 -8.867 1.00 0.00 C ATOM 458 CG HIS A 29 -8.030 -5.241 -9.908 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.614 -5.150 -11.154 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.383 -6.429 -9.884 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.333 -6.237 -11.850 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.586 -7.029 -11.102 1.00 0.00 N ATOM 0 H HIS A 29 -5.930 -4.200 -7.365 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.762 -2.895 -9.891 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.227 -4.638 -7.885 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.082 -3.624 -9.029 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.813 -6.831 -9.060 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.659 -6.443 -12.859 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.220 -7.938 -11.384 1.00 0.00 H new ATOM 470 N LEU A 30 -6.623 -1.654 -7.016 1.00 0.00 N ATOM 471 CA LEU A 30 -6.884 -0.486 -6.183 1.00 0.00 C ATOM 472 C LEU A 30 -6.179 0.748 -6.739 1.00 0.00 C ATOM 473 O LEU A 30 -5.193 0.635 -7.467 1.00 0.00 O ATOM 474 CB LEU A 30 -6.424 -0.746 -4.747 1.00 0.00 C ATOM 475 CG LEU A 30 -7.281 -1.717 -3.934 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.555 -2.135 -2.664 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.626 -1.089 -3.599 1.00 0.00 C ATOM 0 H LEU A 30 -5.834 -2.223 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.958 -0.301 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.404 -1.130 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.390 0.207 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.458 -2.608 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.180 -2.826 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.617 -2.625 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.347 -1.254 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.223 -1.794 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.469 -0.182 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.151 -0.840 -4.521 1.00 0.00 H new ATOM 489 N GLU A 31 -6.690 1.924 -6.388 1.00 0.00 N ATOM 490 CA GLU A 31 -6.108 3.178 -6.851 1.00 0.00 C ATOM 491 C GLU A 31 -5.474 3.944 -5.694 1.00 0.00 C ATOM 492 O GLU A 31 -4.394 4.517 -5.833 1.00 0.00 O ATOM 493 CB GLU A 31 -7.175 4.042 -7.526 1.00 0.00 C ATOM 494 CG GLU A 31 -8.333 4.404 -6.611 1.00 0.00 C ATOM 495 CD GLU A 31 -9.543 4.907 -7.374 1.00 0.00 C ATOM 496 OE1 GLU A 31 -10.131 4.117 -8.142 1.00 0.00 O ATOM 497 OE2 GLU A 31 -9.903 6.090 -7.201 1.00 0.00 O ATOM 0 H GLU A 31 -7.505 2.034 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.330 2.942 -7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.711 4.958 -7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.562 3.512 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.615 3.529 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.009 5.169 -5.906 1.00 0.00 H new ATOM 504 N ARG A 32 -6.154 3.948 -4.552 1.00 0.00 N ATOM 505 CA ARG A 32 -5.659 4.645 -3.371 1.00 0.00 C ATOM 506 C ARG A 32 -5.485 3.678 -2.203 1.00 0.00 C ATOM 507 O ARG A 32 -5.865 2.510 -2.288 1.00 0.00 O ATOM 508 CB ARG A 32 -6.618 5.770 -2.977 1.00 0.00 C ATOM 509 CG ARG A 32 -7.868 5.282 -2.262 1.00 0.00 C ATOM 510 CD ARG A 32 -8.685 6.442 -1.715 1.00 0.00 C ATOM 511 NE ARG A 32 -9.438 7.125 -2.764 1.00 0.00 N ATOM 512 CZ ARG A 32 -10.179 8.207 -2.551 1.00 0.00 C ATOM 513 NH1 ARG A 32 -10.265 8.727 -1.335 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.835 8.771 -3.557 1.00 0.00 N ATOM 0 H ARG A 32 -7.049 3.477 -4.420 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.687 5.074 -3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.093 6.475 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.912 6.316 -3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.478 4.699 -2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.586 4.617 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.375 6.073 -0.956 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.021 7.153 -1.224 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.392 6.751 -3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.761 8.296 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.835 9.558 -1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.771 8.374 -4.494 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.404 9.602 -3.393 1.00 0.00 H new ATOM 528 N VAL A 33 -4.907 4.173 -1.113 1.00 0.00 N ATOM 529 CA VAL A 33 -4.683 3.354 0.072 1.00 0.00 C ATOM 530 C VAL A 33 -4.902 4.161 1.347 1.00 0.00 C ATOM 531 O VAL A 33 -5.036 5.384 1.305 1.00 0.00 O ATOM 532 CB VAL A 33 -3.259 2.767 0.088 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.113 1.694 -0.980 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.227 3.867 -0.106 1.00 0.00 C ATOM 0 H VAL A 33 -4.585 5.137 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.404 2.538 0.033 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.086 2.305 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.101 1.290 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.828 0.893 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.306 2.128 -1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.227 3.434 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.396 4.360 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.318 4.597 0.698 1.00 0.00 H new ATOM 544 N TYR A 34 -4.936 3.468 2.480 1.00 0.00 N ATOM 545 CA TYR A 34 -5.140 4.120 3.769 1.00 0.00 C ATOM 546 C TYR A 34 -4.045 3.730 4.756 1.00 0.00 C ATOM 547 O TYR A 34 -3.878 2.556 5.084 1.00 0.00 O ATOM 548 CB TYR A 34 -6.511 3.752 4.339 1.00 0.00 C ATOM 549 CG TYR A 34 -6.749 4.283 5.734 1.00 0.00 C ATOM 550 CD1 TYR A 34 -6.101 5.427 6.183 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.624 3.641 6.603 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.316 5.915 7.458 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.845 4.124 7.878 1.00 0.00 C ATOM 554 CZ TYR A 34 -7.189 5.260 8.301 1.00 0.00 C ATOM 555 OH TYR A 34 -7.406 5.744 9.571 1.00 0.00 O ATOM 0 H TYR A 34 -4.825 2.455 2.532 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.096 5.198 3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.286 4.136 3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.611 2.667 4.350 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.418 5.943 5.525 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.139 2.750 6.276 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.803 6.805 7.792 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.529 3.614 8.540 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.049 5.168 10.035 1.00 0.00 H new ATOM 565 N VAL A 35 -3.301 4.726 5.227 1.00 0.00 N ATOM 566 CA VAL A 35 -2.222 4.489 6.179 1.00 0.00 C ATOM 567 C VAL A 35 -2.745 4.478 7.611 1.00 0.00 C ATOM 568 O VAL A 35 -2.890 5.528 8.237 1.00 0.00 O ATOM 569 CB VAL A 35 -1.119 5.558 6.055 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.073 5.199 6.928 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.697 5.721 4.603 1.00 0.00 C ATOM 0 H VAL A 35 -3.426 5.704 4.965 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.800 3.512 5.942 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.519 6.510 6.402 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.842 5.965 6.827 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.244 5.137 7.969 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.477 4.236 6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.083 6.480 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.314 4.772 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.556 6.028 4.007 1.00 0.00 H new ATOM 581 N GLU A 36 -3.025 3.284 8.124 1.00 0.00 N ATOM 582 CA GLU A 36 -3.532 3.137 9.483 1.00 0.00 C ATOM 583 C GLU A 36 -2.535 3.688 10.499 1.00 0.00 C ATOM 584 O GLU A 36 -1.562 3.023 10.853 1.00 0.00 O ATOM 585 CB GLU A 36 -3.826 1.667 9.785 1.00 0.00 C ATOM 586 CG GLU A 36 -4.206 1.407 11.233 1.00 0.00 C ATOM 587 CD GLU A 36 -5.700 1.513 11.472 1.00 0.00 C ATOM 588 OE1 GLU A 36 -6.362 2.292 10.755 1.00 0.00 O ATOM 589 OE2 GLU A 36 -6.207 0.816 12.376 1.00 0.00 O ATOM 0 H GLU A 36 -2.909 2.405 7.619 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.457 3.708 9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.636 1.327 9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.948 1.071 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.865 0.413 11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.688 2.120 11.874 1.00 0.00 H new ATOM 596 N GLY A 37 -2.784 4.908 10.963 1.00 0.00 N ATOM 597 CA GLY A 37 -1.900 5.528 11.932 1.00 0.00 C ATOM 598 C GLY A 37 -1.749 7.020 11.709 1.00 0.00 C ATOM 599 O GLY A 37 -1.707 7.797 12.663 1.00 0.00 O ATOM 0 H GLY A 37 -3.583 5.479 10.685 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.286 5.351 12.936 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.919 5.055 11.879 1.00 0.00 H new ATOM 603 N HIS A 38 -1.665 7.422 10.445 1.00 0.00 N ATOM 604 CA HIS A 38 -1.517 8.831 10.099 1.00 0.00 C ATOM 605 C HIS A 38 -2.730 9.330 9.319 1.00 0.00 C ATOM 606 O HIS A 38 -3.607 9.992 9.872 1.00 0.00 O ATOM 607 CB HIS A 38 -0.245 9.046 9.278 1.00 0.00 C ATOM 608 CG HIS A 38 1.015 8.847 10.064 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.237 9.345 9.665 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.237 8.200 11.232 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.157 9.012 10.553 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.576 8.317 11.514 1.00 0.00 N ATOM 0 H HIS A 38 -1.697 6.792 9.643 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.443 9.401 11.025 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.248 8.359 8.432 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.253 10.056 8.869 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.499 7.687 11.831 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.206 9.265 10.502 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.045 7.930 12.333 1.00 0.00 H new ATOM 620 N GLY A 39 -2.772 9.006 8.030 1.00 0.00 N ATOM 621 CA GLY A 39 -3.881 9.430 7.194 1.00 0.00 C ATOM 622 C GLY A 39 -3.989 8.619 5.919 1.00 0.00 C ATOM 623 O GLY A 39 -3.196 7.706 5.687 1.00 0.00 O ATOM 0 H GLY A 39 -2.058 8.458 7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.810 9.342 7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.760 10.483 6.942 1.00 0.00 H new ATOM 627 N TRP A 40 -4.972 8.951 5.090 1.00 0.00 N ATOM 628 CA TRP A 40 -5.182 8.245 3.831 1.00 0.00 C ATOM 629 C TRP A 40 -4.187 8.709 2.774 1.00 0.00 C ATOM 630 O TRP A 40 -3.919 9.904 2.643 1.00 0.00 O ATOM 631 CB TRP A 40 -6.612 8.461 3.334 1.00 0.00 C ATOM 632 CG TRP A 40 -7.599 7.502 3.928 1.00 0.00 C ATOM 633 CD1 TRP A 40 -8.144 7.558 5.180 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.157 6.345 3.297 1.00 0.00 C ATOM 635 NE1 TRP A 40 -9.007 6.504 5.364 1.00 0.00 N ATOM 636 CE2 TRP A 40 -9.033 5.746 4.223 1.00 0.00 C ATOM 637 CE3 TRP A 40 -8.004 5.757 2.038 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.750 4.589 3.929 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.715 4.609 1.748 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.580 4.035 2.689 1.00 0.00 C ATOM 0 H TRP A 40 -5.636 9.705 5.267 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.024 7.181 4.009 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.920 9.480 3.568 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.630 8.364 2.248 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.928 8.318 5.916 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.541 6.317 6.212 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.341 6.193 1.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.416 4.145 4.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.602 4.146 0.779 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.123 3.138 2.431 1.00 0.00 H new ATOM 651 N ARG A 41 -3.642 7.759 2.022 1.00 0.00 N ATOM 652 CA ARG A 41 -2.676 8.072 0.976 1.00 0.00 C ATOM 653 C ARG A 41 -3.114 7.486 -0.363 1.00 0.00 C ATOM 654 O ARG A 41 -4.080 6.727 -0.433 1.00 0.00 O ATOM 655 CB ARG A 41 -1.293 7.535 1.352 1.00 0.00 C ATOM 656 CG ARG A 41 -0.542 8.422 2.332 1.00 0.00 C ATOM 657 CD ARG A 41 -0.174 9.758 1.706 1.00 0.00 C ATOM 658 NE ARG A 41 -1.253 10.734 1.826 1.00 0.00 N ATOM 659 CZ ARG A 41 -1.535 11.383 2.950 1.00 0.00 C ATOM 660 NH1 ARG A 41 -0.821 11.161 4.044 1.00 0.00 N ATOM 661 NH2 ARG A 41 -2.533 12.257 2.980 1.00 0.00 N ATOM 0 H ARG A 41 -3.853 6.766 2.118 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.623 9.156 0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.404 6.541 1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.697 7.423 0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.157 8.590 3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.363 7.913 2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.723 10.149 2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.066 9.611 0.653 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.821 10.928 1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.053 10.490 4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.040 11.661 4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.084 12.431 2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.749 12.755 3.844 1.00 0.00 H new ATOM 675 N ALA A 42 -2.396 7.843 -1.423 1.00 0.00 N ATOM 676 CA ALA A 42 -2.710 7.351 -2.759 1.00 0.00 C ATOM 677 C ALA A 42 -1.535 6.579 -3.349 1.00 0.00 C ATOM 678 O ALA A 42 -0.383 6.799 -2.973 1.00 0.00 O ATOM 679 CB ALA A 42 -3.095 8.508 -3.670 1.00 0.00 C ATOM 0 H ALA A 42 -1.593 8.471 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.556 6.669 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.327 8.127 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.969 9.016 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.265 9.211 -3.736 1.00 0.00 H new ATOM 685 N ILE A 43 -1.834 5.673 -4.274 1.00 0.00 N ATOM 686 CA ILE A 43 -0.801 4.868 -4.916 1.00 0.00 C ATOM 687 C ILE A 43 -0.314 5.524 -6.203 1.00 0.00 C ATOM 688 O ILE A 43 -1.110 5.862 -7.078 1.00 0.00 O ATOM 689 CB ILE A 43 -1.311 3.451 -5.236 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.746 2.739 -3.953 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.234 2.650 -5.953 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.132 1.292 -4.166 1.00 0.00 C ATOM 0 H ILE A 43 -2.782 5.478 -4.596 1.00 0.00 H new ATOM 0 HA ILE A 43 0.028 4.797 -4.212 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.176 3.533 -5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.934 2.787 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.592 3.272 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.609 1.651 -6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.032 3.150 -6.884 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.648 2.575 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.429 0.851 -3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.965 1.237 -4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.281 0.744 -4.570 1.00 0.00 H new ATOM 704 N GLU A 44 0.999 5.700 -6.311 1.00 0.00 N ATOM 705 CA GLU A 44 1.592 6.315 -7.493 1.00 0.00 C ATOM 706 C GLU A 44 2.076 5.251 -8.474 1.00 0.00 C ATOM 707 O GLU A 44 1.789 5.318 -9.670 1.00 0.00 O ATOM 708 CB GLU A 44 2.757 7.222 -7.092 1.00 0.00 C ATOM 709 CG GLU A 44 2.320 8.593 -6.603 1.00 0.00 C ATOM 710 CD GLU A 44 1.938 9.523 -7.738 1.00 0.00 C ATOM 711 OE1 GLU A 44 1.692 9.025 -8.856 1.00 0.00 O ATOM 712 OE2 GLU A 44 1.885 10.749 -7.507 1.00 0.00 O ATOM 0 H GLU A 44 1.672 5.426 -5.595 1.00 0.00 H new ATOM 0 HA GLU A 44 0.825 6.915 -7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.334 6.733 -6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.422 7.345 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.471 8.480 -5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.128 9.043 -6.026 1.00 0.00 H new ATOM 719 N ASP A 45 2.812 4.272 -7.961 1.00 0.00 N ATOM 720 CA ASP A 45 3.336 3.193 -8.791 1.00 0.00 C ATOM 721 C ASP A 45 3.699 1.980 -7.941 1.00 0.00 C ATOM 722 O ASP A 45 4.452 2.091 -6.972 1.00 0.00 O ATOM 723 CB ASP A 45 4.562 3.671 -9.571 1.00 0.00 C ATOM 724 CG ASP A 45 4.781 2.881 -10.846 1.00 0.00 C ATOM 725 OD1 ASP A 45 3.783 2.573 -11.532 1.00 0.00 O ATOM 726 OD2 ASP A 45 5.949 2.569 -11.158 1.00 0.00 O ATOM 0 H ASP A 45 3.060 4.203 -6.974 1.00 0.00 H new ATOM 0 HA ASP A 45 2.558 2.899 -9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.444 4.726 -9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.446 3.588 -8.939 1.00 0.00 H new ATOM 731 N LEU A 46 3.160 0.823 -8.308 1.00 0.00 N ATOM 732 CA LEU A 46 3.426 -0.411 -7.578 1.00 0.00 C ATOM 733 C LEU A 46 3.653 -1.574 -8.539 1.00 0.00 C ATOM 734 O LEU A 46 3.253 -1.518 -9.702 1.00 0.00 O ATOM 735 CB LEU A 46 2.263 -0.732 -6.638 1.00 0.00 C ATOM 736 CG LEU A 46 1.040 -1.387 -7.281 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.279 -2.875 -7.490 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.199 -1.159 -6.428 1.00 0.00 C ATOM 0 H LEU A 46 2.536 0.714 -9.107 1.00 0.00 H new ATOM 0 HA LEU A 46 4.332 -0.267 -6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.630 -1.390 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.944 0.193 -6.158 1.00 0.00 H new ATOM 0 HG LEU A 46 0.876 -0.926 -8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.398 -3.324 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.140 -3.017 -8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.470 -3.351 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.059 -1.632 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.045 -1.592 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.382 -0.089 -6.331 1.00 0.00 H new ATOM 750 N TYR A 47 4.295 -2.626 -8.045 1.00 0.00 N ATOM 751 CA TYR A 47 4.576 -3.802 -8.860 1.00 0.00 C ATOM 752 C TYR A 47 5.096 -4.950 -7.999 1.00 0.00 C ATOM 753 O TYR A 47 5.881 -4.740 -7.074 1.00 0.00 O ATOM 754 CB TYR A 47 5.596 -3.463 -9.948 1.00 0.00 C ATOM 755 CG TYR A 47 6.666 -2.496 -9.495 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.639 -2.883 -8.582 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.704 -1.195 -9.981 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.618 -2.003 -8.165 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.681 -0.308 -9.570 1.00 0.00 C ATOM 760 CZ TYR A 47 8.635 -0.716 -8.662 1.00 0.00 C ATOM 761 OH TYR A 47 9.609 0.164 -8.250 1.00 0.00 O ATOM 0 H TYR A 47 4.631 -2.689 -7.084 1.00 0.00 H new ATOM 0 HA TYR A 47 3.645 -4.117 -9.330 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.071 -4.383 -10.289 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.073 -3.038 -10.805 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.630 -3.890 -8.192 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.958 -0.871 -10.692 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.366 -2.320 -7.454 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.697 0.700 -9.958 1.00 0.00 H new ATOM 0 HH TYR A 47 9.279 0.684 -7.488 1.00 0.00 H new ATOM 771 N ARG A 48 4.654 -6.163 -8.312 1.00 0.00 N ATOM 772 CA ARG A 48 5.074 -7.345 -7.569 1.00 0.00 C ATOM 773 C ARG A 48 6.485 -7.766 -7.968 1.00 0.00 C ATOM 774 O ARG A 48 6.687 -8.393 -9.008 1.00 0.00 O ATOM 775 CB ARG A 48 4.099 -8.499 -7.810 1.00 0.00 C ATOM 776 CG ARG A 48 3.969 -8.890 -9.273 1.00 0.00 C ATOM 777 CD ARG A 48 2.724 -9.729 -9.516 1.00 0.00 C ATOM 778 NE ARG A 48 2.772 -10.418 -10.803 1.00 0.00 N ATOM 779 CZ ARG A 48 1.962 -11.419 -11.131 1.00 0.00 C ATOM 780 NH1 ARG A 48 1.046 -11.844 -10.272 1.00 0.00 N ATOM 781 NH2 ARG A 48 2.066 -11.995 -12.322 1.00 0.00 N ATOM 0 H ARG A 48 4.005 -6.353 -9.075 1.00 0.00 H new ATOM 0 HA ARG A 48 5.075 -7.094 -6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.428 -9.367 -7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.117 -8.220 -7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.930 -7.992 -9.889 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.852 -9.449 -9.581 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.619 -10.462 -8.716 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.843 -9.089 -9.480 1.00 0.00 H new ATOM 0 HE ARG A 48 3.465 -10.114 -11.487 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.962 -11.402 -9.356 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.426 -12.613 -10.527 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.768 -11.669 -12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.444 -12.763 -12.573 1.00 0.00 H new ATOM 795 N VAL A 49 7.460 -7.415 -7.135 1.00 0.00 N ATOM 796 CA VAL A 49 8.852 -7.757 -7.400 1.00 0.00 C ATOM 797 C VAL A 49 9.166 -9.177 -6.944 1.00 0.00 C ATOM 798 O VAL A 49 9.286 -9.445 -5.750 1.00 0.00 O ATOM 799 CB VAL A 49 9.814 -6.780 -6.698 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.259 -7.180 -6.948 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.558 -5.354 -7.163 1.00 0.00 C ATOM 0 H VAL A 49 7.311 -6.894 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 49 8.995 -7.685 -8.478 1.00 0.00 H new ATOM 0 HB VAL A 49 9.631 -6.826 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.923 -6.478 -6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.431 -8.184 -6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.461 -7.165 -8.019 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.246 -4.677 -6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.712 -5.289 -8.240 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.532 -5.072 -6.925 1.00 0.00 H new ATOM 811 N GLY A 50 9.299 -10.086 -7.906 1.00 0.00 N ATOM 812 CA GLY A 50 9.599 -11.469 -7.584 1.00 0.00 C ATOM 813 C GLY A 50 8.541 -12.100 -6.701 1.00 0.00 C ATOM 814 O GLY A 50 7.448 -12.423 -7.166 1.00 0.00 O ATOM 0 H GLY A 50 9.204 -9.889 -8.902 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.688 -12.043 -8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.565 -11.521 -7.082 1.00 0.00 H new ATOM 818 N GLU A 51 8.866 -12.279 -5.425 1.00 0.00 N ATOM 819 CA GLU A 51 7.935 -12.879 -4.476 1.00 0.00 C ATOM 820 C GLU A 51 7.462 -11.850 -3.453 1.00 0.00 C ATOM 821 O GLU A 51 7.125 -12.196 -2.321 1.00 0.00 O ATOM 822 CB GLU A 51 8.592 -14.061 -3.761 1.00 0.00 C ATOM 823 CG GLU A 51 7.597 -15.050 -3.178 1.00 0.00 C ATOM 824 CD GLU A 51 7.092 -16.044 -4.206 1.00 0.00 C ATOM 825 OE1 GLU A 51 7.736 -17.101 -4.374 1.00 0.00 O ATOM 826 OE2 GLU A 51 6.055 -15.766 -4.842 1.00 0.00 O ATOM 0 H GLU A 51 9.767 -12.017 -5.024 1.00 0.00 H new ATOM 0 HA GLU A 51 7.069 -13.237 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.242 -14.584 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.227 -13.683 -2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.067 -15.590 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.751 -14.505 -2.759 1.00 0.00 H new ATOM 833 N GLU A 52 7.441 -10.585 -3.861 1.00 0.00 N ATOM 834 CA GLU A 52 7.011 -9.506 -2.979 1.00 0.00 C ATOM 835 C GLU A 52 6.384 -8.368 -3.778 1.00 0.00 C ATOM 836 O GLU A 52 6.341 -8.408 -5.009 1.00 0.00 O ATOM 837 CB GLU A 52 8.195 -8.981 -2.165 1.00 0.00 C ATOM 838 CG GLU A 52 8.864 -10.043 -1.309 1.00 0.00 C ATOM 839 CD GLU A 52 9.756 -9.451 -0.235 1.00 0.00 C ATOM 840 OE1 GLU A 52 9.222 -9.021 0.809 1.00 0.00 O ATOM 841 OE2 GLU A 52 10.987 -9.418 -0.439 1.00 0.00 O ATOM 0 H GLU A 52 7.716 -10.282 -4.795 1.00 0.00 H new ATOM 0 HA GLU A 52 6.260 -9.905 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.933 -8.557 -2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.852 -8.171 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.099 -10.661 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.456 -10.699 -1.947 1.00 0.00 H new ATOM 848 N LEU A 53 5.899 -7.353 -3.071 1.00 0.00 N ATOM 849 CA LEU A 53 5.274 -6.202 -3.713 1.00 0.00 C ATOM 850 C LEU A 53 5.817 -4.897 -3.140 1.00 0.00 C ATOM 851 O LEU A 53 6.019 -4.774 -1.932 1.00 0.00 O ATOM 852 CB LEU A 53 3.755 -6.258 -3.536 1.00 0.00 C ATOM 853 CG LEU A 53 2.973 -6.940 -4.659 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.728 -7.617 -4.107 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.601 -5.933 -5.738 1.00 0.00 C ATOM 0 H LEU A 53 5.927 -7.304 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 53 5.512 -6.236 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.537 -6.776 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.384 -5.239 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 53 3.609 -7.704 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.184 -8.097 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.018 -8.368 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.089 -6.872 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.045 -6.436 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.984 -5.146 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.508 -5.494 -6.154 1.00 0.00 H new ATOM 867 N VAL A 54 6.048 -3.924 -4.015 1.00 0.00 N ATOM 868 CA VAL A 54 6.565 -2.626 -3.597 1.00 0.00 C ATOM 869 C VAL A 54 5.654 -1.496 -4.063 1.00 0.00 C ATOM 870 O VAL A 54 5.675 -1.109 -5.231 1.00 0.00 O ATOM 871 CB VAL A 54 7.985 -2.385 -4.142 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.489 -1.011 -3.728 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.931 -3.476 -3.664 1.00 0.00 C ATOM 0 H VAL A 54 5.885 -4.010 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 54 6.600 -2.635 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 54 7.949 -2.419 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.494 -0.858 -4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.823 -0.245 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.512 -0.944 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.930 -3.290 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.965 -3.476 -2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.577 -4.445 -4.016 1.00 0.00 H new ATOM 883 N VAL A 55 4.854 -0.970 -3.141 1.00 0.00 N ATOM 884 CA VAL A 55 3.936 0.118 -3.456 1.00 0.00 C ATOM 885 C VAL A 55 4.563 1.473 -3.150 1.00 0.00 C ATOM 886 O VAL A 55 5.173 1.663 -2.097 1.00 0.00 O ATOM 887 CB VAL A 55 2.618 -0.014 -2.671 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.754 1.223 -2.864 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.869 -1.269 -3.096 1.00 0.00 C ATOM 0 H VAL A 55 4.823 -1.280 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 55 3.723 0.052 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 55 2.854 -0.100 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.827 1.111 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.291 2.101 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.524 1.344 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.940 -1.347 -2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.643 -1.215 -4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.487 -2.145 -2.900 1.00 0.00 H new ATOM 899 N HIS A 56 4.409 2.414 -4.076 1.00 0.00 N ATOM 900 CA HIS A 56 4.960 3.754 -3.904 1.00 0.00 C ATOM 901 C HIS A 56 3.851 4.768 -3.641 1.00 0.00 C ATOM 902 O HIS A 56 3.099 5.130 -4.547 1.00 0.00 O ATOM 903 CB HIS A 56 5.757 4.163 -5.143 1.00 0.00 C ATOM 904 CG HIS A 56 6.926 3.270 -5.425 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.232 3.714 -5.414 1.00 0.00 N ATOM 906 CD2 HIS A 56 6.981 1.951 -5.726 1.00 0.00 C ATOM 907 CE1 HIS A 56 9.039 2.707 -5.697 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.305 1.626 -5.890 1.00 0.00 N ATOM 0 H HIS A 56 3.907 2.274 -4.953 1.00 0.00 H new ATOM 0 HA HIS A 56 5.626 3.738 -3.041 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.094 4.163 -6.008 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.114 5.185 -5.014 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.528 4.670 -5.218 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.140 1.280 -5.820 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.116 2.759 -5.760 1.00 0.00 H new ATOM 916 N LEU A 57 3.754 5.221 -2.396 1.00 0.00 N ATOM 917 CA LEU A 57 2.736 6.193 -2.013 1.00 0.00 C ATOM 918 C LEU A 57 3.029 7.559 -2.625 1.00 0.00 C ATOM 919 O LEU A 57 4.113 7.791 -3.159 1.00 0.00 O ATOM 920 CB LEU A 57 2.662 6.310 -0.489 1.00 0.00 C ATOM 921 CG LEU A 57 2.313 5.027 0.266 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.726 5.138 1.726 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.825 4.728 0.152 1.00 0.00 C ATOM 0 H LEU A 57 4.368 4.931 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 57 1.775 5.844 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.624 6.672 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.920 7.069 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 57 2.864 4.202 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.470 4.216 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.802 5.303 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.203 5.974 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.595 3.811 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.254 5.554 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.558 4.604 -0.898 1.00 0.00 H new ATOM 935 N ALA A 58 2.055 8.460 -2.542 1.00 0.00 N ATOM 936 CA ALA A 58 2.210 9.804 -3.084 1.00 0.00 C ATOM 937 C ALA A 58 3.112 10.654 -2.195 1.00 0.00 C ATOM 938 O ALA A 58 3.089 10.530 -0.972 1.00 0.00 O ATOM 939 CB ALA A 58 0.851 10.467 -3.247 1.00 0.00 C ATOM 0 H ALA A 58 1.151 8.283 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 58 2.682 9.722 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.982 11.470 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.238 9.877 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.358 10.529 -2.277 1.00 0.00 H new ATOM 945 N GLY A 59 3.908 11.517 -2.820 1.00 0.00 N ATOM 946 CA GLY A 59 4.807 12.374 -2.070 1.00 0.00 C ATOM 947 C GLY A 59 6.036 11.635 -1.578 1.00 0.00 C ATOM 948 O GLY A 59 7.165 12.052 -1.838 1.00 0.00 O ATOM 0 H GLY A 59 3.946 11.638 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.116 13.209 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.275 12.796 -1.217 1.00 0.00 H new ATOM 952 N VAL A 60 5.818 10.536 -0.864 1.00 0.00 N ATOM 953 CA VAL A 60 6.917 9.738 -0.334 1.00 0.00 C ATOM 954 C VAL A 60 7.949 9.437 -1.415 1.00 0.00 C ATOM 955 O VAL A 60 7.790 8.502 -2.199 1.00 0.00 O ATOM 956 CB VAL A 60 6.410 8.410 0.260 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.571 7.592 0.806 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.376 8.672 1.344 1.00 0.00 C ATOM 0 H VAL A 60 4.890 10.178 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 60 7.384 10.327 0.456 1.00 0.00 H new ATOM 0 HB VAL A 60 5.933 7.835 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.194 6.658 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.273 7.374 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.079 8.158 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.029 7.723 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.825 9.267 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.532 9.214 0.918 1.00 0.00 H new ATOM 968 N THR A 61 9.010 10.238 -1.451 1.00 0.00 N ATOM 969 CA THR A 61 10.069 10.059 -2.436 1.00 0.00 C ATOM 970 C THR A 61 11.440 10.033 -1.770 1.00 0.00 C ATOM 971 O THR A 61 12.437 10.444 -2.364 1.00 0.00 O ATOM 972 CB THR A 61 10.047 11.177 -3.494 1.00 0.00 C ATOM 973 OG1 THR A 61 10.206 12.453 -2.863 1.00 0.00 O ATOM 974 CG2 THR A 61 8.744 11.154 -4.279 1.00 0.00 C ATOM 0 H THR A 61 9.158 11.017 -0.809 1.00 0.00 H new ATOM 0 HA THR A 61 9.887 9.102 -2.925 1.00 0.00 H new ATOM 0 HB THR A 61 10.873 11.008 -4.185 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.378 12.692 -2.396 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.752 11.953 -5.020 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.639 10.193 -4.782 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.906 11.300 -3.597 1.00 0.00 H new ATOM 982 N ASP A 62 11.484 9.546 -0.535 1.00 0.00 N ATOM 983 CA ASP A 62 12.734 9.464 0.212 1.00 0.00 C ATOM 984 C ASP A 62 12.646 8.403 1.304 1.00 0.00 C ATOM 985 O ASP A 62 11.565 8.115 1.818 1.00 0.00 O ATOM 986 CB ASP A 62 13.075 10.822 0.828 1.00 0.00 C ATOM 987 CG ASP A 62 11.854 11.526 1.387 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.156 12.209 0.609 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.598 11.395 2.602 1.00 0.00 O ATOM 0 H ASP A 62 10.668 9.202 -0.029 1.00 0.00 H new ATOM 0 HA ASP A 62 13.525 9.180 -0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.807 10.684 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.541 11.454 0.072 1.00 0.00 H new ATOM 994 N ARG A 63 13.791 7.825 1.654 1.00 0.00 N ATOM 995 CA ARG A 63 13.843 6.794 2.684 1.00 0.00 C ATOM 996 C ARG A 63 13.252 7.306 3.995 1.00 0.00 C ATOM 997 O ARG A 63 12.636 6.551 4.748 1.00 0.00 O ATOM 998 CB ARG A 63 15.286 6.338 2.906 1.00 0.00 C ATOM 999 CG ARG A 63 15.400 4.919 3.441 1.00 0.00 C ATOM 1000 CD ARG A 63 16.804 4.365 3.253 1.00 0.00 C ATOM 1001 NE ARG A 63 17.046 3.194 4.092 1.00 0.00 N ATOM 1002 CZ ARG A 63 18.175 2.494 4.067 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.159 2.845 3.251 1.00 0.00 N ATOM 1004 NH2 ARG A 63 18.320 1.440 4.860 1.00 0.00 N ATOM 0 H ARG A 63 14.695 8.053 1.240 1.00 0.00 H new ATOM 0 HA ARG A 63 13.249 5.945 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.829 6.407 1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.771 7.021 3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.141 4.906 4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.683 4.277 2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 63 16.952 4.098 2.207 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.534 5.139 3.491 1.00 0.00 H new ATOM 0 HE ARG A 63 16.309 2.898 4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.051 3.655 2.640 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.025 2.306 3.234 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.565 1.167 5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.187 0.903 4.841 1.00 0.00 H new ATOM 1018 N THR A 64 13.445 8.593 4.263 1.00 0.00 N ATOM 1019 CA THR A 64 12.934 9.205 5.483 1.00 0.00 C ATOM 1020 C THR A 64 11.413 9.116 5.547 1.00 0.00 C ATOM 1021 O THR A 64 10.854 8.543 6.483 1.00 0.00 O ATOM 1022 CB THR A 64 13.354 10.684 5.589 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.749 10.818 5.294 1.00 0.00 O ATOM 1024 CG2 THR A 64 13.069 11.229 6.980 1.00 0.00 C ATOM 0 H THR A 64 13.952 9.232 3.651 1.00 0.00 H new ATOM 0 HA THR A 64 13.364 8.652 6.318 1.00 0.00 H new ATOM 0 HB THR A 64 12.773 11.257 4.866 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.009 11.761 5.362 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.374 12.274 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.002 11.151 7.190 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.627 10.652 7.718 1.00 0.00 H new ATOM 1032 N LEU A 65 10.749 9.684 4.547 1.00 0.00 N ATOM 1033 CA LEU A 65 9.291 9.667 4.490 1.00 0.00 C ATOM 1034 C LEU A 65 8.761 8.238 4.538 1.00 0.00 C ATOM 1035 O LEU A 65 7.816 7.940 5.268 1.00 0.00 O ATOM 1036 CB LEU A 65 8.803 10.362 3.217 1.00 0.00 C ATOM 1037 CG LEU A 65 8.818 11.891 3.239 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.585 12.447 1.843 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.770 12.420 4.208 1.00 0.00 C ATOM 0 H LEU A 65 11.196 10.162 3.765 1.00 0.00 H new ATOM 0 HA LEU A 65 8.911 10.205 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.419 10.025 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.784 10.031 3.014 1.00 0.00 H new ATOM 0 HG LEU A 65 9.799 12.221 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.599 13.536 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.372 12.095 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.617 12.108 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.794 13.510 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.782 12.080 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.982 12.049 5.211 1.00 0.00 H new ATOM 1051 N ALA A 66 9.377 7.357 3.757 1.00 0.00 N ATOM 1052 CA ALA A 66 8.969 5.958 3.714 1.00 0.00 C ATOM 1053 C ALA A 66 9.114 5.302 5.083 1.00 0.00 C ATOM 1054 O ALA A 66 8.152 4.758 5.624 1.00 0.00 O ATOM 1055 CB ALA A 66 9.785 5.202 2.675 1.00 0.00 C ATOM 0 H ALA A 66 10.160 7.587 3.146 1.00 0.00 H new ATOM 0 HA ALA A 66 7.917 5.920 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.470 4.159 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.628 5.649 1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.843 5.256 2.933 1.00 0.00 H new ATOM 1061 N GLU A 67 10.322 5.356 5.635 1.00 0.00 N ATOM 1062 CA GLU A 67 10.591 4.765 6.941 1.00 0.00 C ATOM 1063 C GLU A 67 9.514 5.158 7.949 1.00 0.00 C ATOM 1064 O GLU A 67 9.093 4.346 8.772 1.00 0.00 O ATOM 1065 CB GLU A 67 11.966 5.203 7.450 1.00 0.00 C ATOM 1066 CG GLU A 67 13.097 4.291 7.008 1.00 0.00 C ATOM 1067 CD GLU A 67 14.264 4.297 7.976 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.565 5.373 8.534 1.00 0.00 O ATOM 1069 OE2 GLU A 67 14.876 3.227 8.176 1.00 0.00 O ATOM 0 H GLU A 67 11.129 5.802 5.199 1.00 0.00 H new ATOM 0 HA GLU A 67 10.581 3.681 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.168 6.215 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.946 5.241 8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.720 3.274 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.445 4.602 6.023 1.00 0.00 H new ATOM 1076 N ALA A 68 9.074 6.410 7.877 1.00 0.00 N ATOM 1077 CA ALA A 68 8.046 6.911 8.781 1.00 0.00 C ATOM 1078 C ALA A 68 6.743 6.136 8.615 1.00 0.00 C ATOM 1079 O ALA A 68 5.974 5.983 9.565 1.00 0.00 O ATOM 1080 CB ALA A 68 7.813 8.396 8.544 1.00 0.00 C ATOM 0 H ALA A 68 9.413 7.096 7.202 1.00 0.00 H new ATOM 0 HA ALA A 68 8.395 6.768 9.804 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.043 8.757 9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.739 8.942 8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.490 8.554 7.515 1.00 0.00 H new ATOM 1086 N LEU A 69 6.501 5.649 7.403 1.00 0.00 N ATOM 1087 CA LEU A 69 5.290 4.890 7.112 1.00 0.00 C ATOM 1088 C LEU A 69 5.594 3.399 7.007 1.00 0.00 C ATOM 1089 O LEU A 69 4.869 2.651 6.351 1.00 0.00 O ATOM 1090 CB LEU A 69 4.654 5.384 5.811 1.00 0.00 C ATOM 1091 CG LEU A 69 4.163 6.833 5.813 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.666 7.229 4.431 1.00 0.00 C ATOM 1093 CD2 LEU A 69 3.067 7.023 6.851 1.00 0.00 C ATOM 0 H LEU A 69 7.127 5.766 6.606 1.00 0.00 H new ATOM 0 HA LEU A 69 4.590 5.043 7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.381 5.269 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.811 4.736 5.573 1.00 0.00 H new ATOM 0 HG LEU A 69 5.000 7.480 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.321 8.263 4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.478 7.132 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.843 6.577 4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.730 8.059 6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.229 6.366 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.456 6.780 7.840 1.00 0.00 H new ATOM 1105 N VAL A 70 6.670 2.972 7.660 1.00 0.00 N ATOM 1106 CA VAL A 70 7.069 1.570 7.644 1.00 0.00 C ATOM 1107 C VAL A 70 6.631 0.859 8.919 1.00 0.00 C ATOM 1108 O VAL A 70 7.018 1.245 10.022 1.00 0.00 O ATOM 1109 CB VAL A 70 8.594 1.422 7.484 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.042 0.031 7.908 1.00 0.00 C ATOM 1111 CG2 VAL A 70 9.010 1.711 6.050 1.00 0.00 C ATOM 0 H VAL A 70 7.282 3.578 8.207 1.00 0.00 H new ATOM 0 HA VAL A 70 6.575 1.110 6.788 1.00 0.00 H new ATOM 0 HB VAL A 70 9.083 2.149 8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.122 -0.056 7.788 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.778 -0.133 8.953 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.547 -0.716 7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.090 1.602 5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.514 1.010 5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.724 2.729 5.786 1.00 0.00 H new ATOM 1121 N GLY A 71 5.821 -0.183 8.761 1.00 0.00 N ATOM 1122 CA GLY A 71 5.343 -0.933 9.909 1.00 0.00 C ATOM 1123 C GLY A 71 3.832 -0.910 10.028 1.00 0.00 C ATOM 1124 O GLY A 71 3.218 -1.903 10.418 1.00 0.00 O ATOM 0 H GLY A 71 5.487 -0.522 7.859 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.683 -1.966 9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.782 -0.520 10.817 1.00 0.00 H new ATOM 1128 N LEU A 72 3.231 0.227 9.694 1.00 0.00 N ATOM 1129 CA LEU A 72 1.782 0.376 9.767 1.00 0.00 C ATOM 1130 C LEU A 72 1.088 -0.559 8.781 1.00 0.00 C ATOM 1131 O LEU A 72 1.704 -1.047 7.834 1.00 0.00 O ATOM 1132 CB LEU A 72 1.384 1.825 9.480 1.00 0.00 C ATOM 1133 CG LEU A 72 1.878 2.868 10.483 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.538 4.271 10.006 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.280 2.611 11.859 1.00 0.00 C ATOM 0 H LEU A 72 3.725 1.059 9.370 1.00 0.00 H new ATOM 0 HA LEU A 72 1.464 0.111 10.775 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.758 2.095 8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.296 1.880 9.435 1.00 0.00 H new ATOM 0 HG LEU A 72 2.962 2.785 10.559 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.897 4.999 10.733 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.015 4.453 9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.457 4.367 9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.643 3.363 12.560 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.193 2.665 11.799 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.575 1.620 12.205 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.198 -0.802 9.010 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.977 -1.677 8.142 1.00 0.00 C ATOM 1149 C ARG A 73 -1.873 -0.863 7.212 1.00 0.00 C ATOM 1150 O ARG A 73 -2.543 0.075 7.643 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.828 -2.634 8.978 1.00 0.00 C ATOM 1152 CG ARG A 73 -1.010 -3.556 9.869 1.00 0.00 C ATOM 1153 CD ARG A 73 -0.754 -2.931 11.231 1.00 0.00 C ATOM 1154 NE ARG A 73 -0.256 -3.907 12.197 1.00 0.00 N ATOM 1155 CZ ARG A 73 0.043 -3.608 13.456 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -0.105 -2.367 13.900 1.00 0.00 N ATOM 1157 NH2 ARG A 73 0.491 -4.552 14.274 1.00 0.00 N ATOM 0 H ARG A 73 -0.723 -0.405 9.789 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.282 -2.256 7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.509 -2.053 9.599 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.442 -3.238 8.310 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.535 -4.503 9.995 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.059 -3.781 9.386 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.031 -2.122 11.128 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.677 -2.488 11.606 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.131 -4.871 11.888 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.449 -1.639 13.274 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.125 -2.141 14.867 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.606 -5.507 13.936 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.721 -4.322 15.241 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.878 -1.229 5.934 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.691 -0.535 4.943 1.00 0.00 C ATOM 1173 C VAL A 74 -4.095 -1.125 4.873 1.00 0.00 C ATOM 1174 O VAL A 74 -4.271 -2.342 4.934 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.048 -0.598 3.545 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.902 0.146 2.530 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.636 -0.034 3.582 1.00 0.00 C ATOM 0 H VAL A 74 -1.328 -2.003 5.561 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.754 0.506 5.258 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.989 -1.642 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.432 0.090 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.892 -0.308 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.996 1.190 2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.197 -0.087 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.668 1.005 3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.030 -0.616 4.277 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.090 -0.255 4.743 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.480 -0.690 4.666 1.00 0.00 C ATOM 1189 C TYR A 75 -7.070 -0.388 3.292 1.00 0.00 C ATOM 1190 O TYR A 75 -6.600 0.503 2.585 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.312 -0.006 5.752 1.00 0.00 C ATOM 1192 CG TYR A 75 -7.117 -0.601 7.128 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -6.005 -0.278 7.896 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -8.047 -1.485 7.662 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.823 -0.820 9.153 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.874 -2.031 8.919 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.760 -1.696 9.661 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.583 -2.236 10.914 1.00 0.00 O ATOM 0 H TYR A 75 -4.960 0.755 4.689 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.506 -1.768 4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.054 1.053 5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.367 -0.069 5.484 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.270 0.409 7.503 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.920 -1.750 7.084 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.952 -0.559 9.735 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.607 -2.716 9.319 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.333 -2.832 11.122 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.103 -1.137 2.921 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.760 -0.949 1.633 1.00 0.00 C ATOM 1210 C ALA A 76 -10.236 -0.613 1.814 1.00 0.00 C ATOM 1211 O ALA A 76 -10.813 -0.862 2.872 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.601 -2.193 0.773 1.00 0.00 C ATOM 0 H ALA A 76 -8.503 -1.880 3.494 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.283 -0.109 1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.096 -2.038 -0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.541 -2.387 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.051 -3.046 1.281 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.842 -0.046 0.775 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.251 0.324 0.822 1.00 0.00 C ATOM 1220 C GLU A 77 -13.024 -0.332 -0.319 1.00 0.00 C ATOM 1221 O GLU A 77 -12.743 -0.092 -1.493 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.404 1.845 0.748 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.637 2.368 1.466 1.00 0.00 C ATOM 1224 CD GLU A 77 -13.961 3.803 1.098 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -13.599 4.226 -0.020 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -14.578 4.503 1.928 1.00 0.00 O ATOM 0 H GLU A 77 -10.379 0.167 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.662 -0.030 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.518 2.312 1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.448 2.147 -0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.490 1.734 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.483 2.299 2.543 1.00 0.00 H new ATOM 1233 N VAL A 78 -14.000 -1.162 0.036 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.815 -1.852 -0.956 1.00 0.00 C ATOM 1235 C VAL A 78 -15.397 -0.872 -1.968 1.00 0.00 C ATOM 1236 O VAL A 78 -15.533 -1.190 -3.149 1.00 0.00 O ATOM 1237 CB VAL A 78 -15.965 -2.633 -0.293 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.720 -3.453 -1.328 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.432 -3.523 0.819 1.00 0.00 C ATOM 0 H VAL A 78 -14.245 -1.373 1.003 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.159 -2.554 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.661 -1.918 0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.529 -3.998 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.135 -2.789 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.038 -4.161 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.258 -4.068 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.715 -4.232 0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.941 -2.908 1.573 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.740 0.323 -1.497 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.306 1.351 -2.360 1.00 0.00 C ATOM 1251 C ALA A 79 -15.575 1.408 -3.698 1.00 0.00 C ATOM 1252 O ALA A 79 -16.160 1.761 -4.721 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.254 2.706 -1.671 1.00 0.00 C ATOM 0 H ALA A 79 -15.635 0.602 -0.522 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.347 1.094 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.680 3.465 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.826 2.665 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.218 2.961 -1.447 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.293 1.060 -3.681 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.482 1.071 -4.893 1.00 0.00 C ATOM 1261 C ASP A 80 -13.503 -0.294 -5.574 1.00 0.00 C ATOM 1262 O ASP A 80 -13.635 -0.389 -6.795 1.00 0.00 O ATOM 1263 CB ASP A 80 -12.042 1.469 -4.565 1.00 0.00 C ATOM 1264 CG ASP A 80 -11.850 2.972 -4.532 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -12.823 3.688 -4.216 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -10.726 3.433 -4.820 1.00 0.00 O ATOM 0 H ASP A 80 -13.793 0.767 -2.842 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.907 1.805 -5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.763 1.049 -3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.371 1.036 -5.307 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.372 -1.349 -4.777 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.375 -2.710 -5.302 1.00 0.00 C ATOM 1273 C LEU A 81 -14.369 -2.848 -6.451 1.00 0.00 C ATOM 1274 O LEU A 81 -15.385 -2.155 -6.511 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.718 -3.705 -4.193 1.00 0.00 C ATOM 1276 CG LEU A 81 -12.649 -3.909 -3.119 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -13.176 -4.796 -2.002 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -11.389 -4.506 -3.727 1.00 0.00 C ATOM 0 H LEU A 81 -13.262 -1.288 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.377 -2.929 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.635 -3.373 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.932 -4.670 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.398 -2.937 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.401 -4.930 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.049 -4.328 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.456 -5.767 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.639 -4.644 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.624 -5.470 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.999 -3.833 -4.490 1.00 0.00 H new ATOM 1290 N PRO A 82 -14.073 -3.765 -7.383 1.00 0.00 N ATOM 1291 CA PRO A 82 -14.929 -4.018 -8.545 1.00 0.00 C ATOM 1292 C PRO A 82 -16.243 -4.690 -8.162 1.00 0.00 C ATOM 1293 O PRO A 82 -16.315 -5.473 -7.214 1.00 0.00 O ATOM 1294 CB PRO A 82 -14.084 -4.954 -9.413 1.00 0.00 C ATOM 1295 CG PRO A 82 -13.166 -5.632 -8.455 1.00 0.00 C ATOM 1296 CD PRO A 82 -12.878 -4.627 -7.374 1.00 0.00 C ATOM 0 HA PRO A 82 -15.217 -3.094 -9.046 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -14.708 -5.675 -9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.528 -4.399 -10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.627 -6.529 -8.041 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.247 -5.946 -8.951 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.736 -5.107 -6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.971 -4.059 -7.584 1.00 0.00 H new ATOM 1304 N PRO A 83 -17.310 -4.379 -8.914 1.00 0.00 N ATOM 1305 CA PRO A 83 -18.641 -4.943 -8.671 1.00 0.00 C ATOM 1306 C PRO A 83 -18.712 -6.428 -9.011 1.00 0.00 C ATOM 1307 O PRO A 83 -18.193 -6.866 -10.039 1.00 0.00 O ATOM 1308 CB PRO A 83 -19.544 -4.137 -9.609 1.00 0.00 C ATOM 1309 CG PRO A 83 -18.640 -3.674 -10.699 1.00 0.00 C ATOM 1310 CD PRO A 83 -17.298 -3.453 -10.059 1.00 0.00 C ATOM 0 HA PRO A 83 -18.926 -4.877 -7.621 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.355 -4.750 -10.001 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -20.003 -3.295 -9.090 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.575 -4.417 -11.494 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.013 -2.755 -11.151 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -16.483 -3.676 -10.747 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.171 -2.419 -9.738 1.00 0.00 H new ATOM 1318 N LEU A 84 -19.357 -7.199 -8.142 1.00 0.00 N ATOM 1319 CA LEU A 84 -19.496 -8.636 -8.350 1.00 0.00 C ATOM 1320 C LEU A 84 -20.417 -8.928 -9.530 1.00 0.00 C ATOM 1321 O LEU A 84 -20.365 -10.009 -10.116 1.00 0.00 O ATOM 1322 CB LEU A 84 -20.040 -9.304 -7.086 1.00 0.00 C ATOM 1323 CG LEU A 84 -21.563 -9.357 -6.957 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -21.978 -10.429 -5.961 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -22.111 -7.999 -6.541 1.00 0.00 C ATOM 0 H LEU A 84 -19.792 -6.853 -7.287 1.00 0.00 H new ATOM 0 HA LEU A 84 -18.510 -9.043 -8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -19.656 -10.323 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -19.640 -8.777 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 84 -21.982 -9.613 -7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -23.065 -10.452 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -21.618 -11.400 -6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -21.549 -10.204 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -23.196 -8.056 -6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -21.684 -7.714 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -21.845 -7.254 -7.291 1.00 0.00 H new ATOM 1337 N GLU A 85 -21.257 -7.957 -9.873 1.00 0.00 N ATOM 1338 CA GLU A 85 -22.189 -8.111 -10.985 1.00 0.00 C ATOM 1339 C GLU A 85 -21.441 -8.371 -12.289 1.00 0.00 C ATOM 1340 O GLU A 85 -21.862 -7.926 -13.356 1.00 0.00 O ATOM 1341 CB GLU A 85 -23.062 -6.863 -11.124 1.00 0.00 C ATOM 1342 CG GLU A 85 -24.297 -7.077 -11.983 1.00 0.00 C ATOM 1343 CD GLU A 85 -25.380 -6.050 -11.712 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -25.990 -6.105 -10.623 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -25.619 -5.194 -12.589 1.00 0.00 O ATOM 0 H GLU A 85 -21.312 -7.056 -9.398 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.827 -8.970 -10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.372 -6.534 -10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -22.465 -6.059 -11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -24.015 -7.034 -13.035 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -24.694 -8.075 -11.800 1.00 0.00 H new TER 1352 GLU A 85