USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 564 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 Single : A 1 GLY N :NH3+ -148:sc= 0.0145 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 43:sc= 0.586 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -75:sc= -4.77! USER MOD Single : A 22 ASN : amide:sc= 0.21 X(o=0.21,f=-0.2) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0285 X(o=-0.028,f=0) USER MOD Single : A 36 SER OG : rot 47:sc= 0.406 USER MOD Single : A 38 LYS NZ :NH3+ -106:sc= -1.99! (180deg=-4.14!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -38:sc= -0.719 USER MOD Single : A 49 HIS : no HD1:sc= -1.98! K(o=-2!,f=-3.3) USER MOD Single : A 50 TYR OH : rot 93:sc= -1.29 USER MOD Single : A 54 ASN : amide:sc= -0.812 K(o=-0.81,f=-2.7!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 63 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-1.6!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= -0.143 (180deg=-0.698) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0523 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -55:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.047 -19.039 4.177 1.00 0.00 N ATOM 2 CA GLY A 1 15.078 -18.027 3.793 1.00 0.00 C ATOM 3 C GLY A 1 15.743 -16.905 2.994 1.00 0.00 C ATOM 4 O GLY A 1 16.599 -17.164 2.150 1.00 0.00 O ATOM 0 H1 GLY A 1 15.583 -19.969 4.209 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.820 -19.061 3.482 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.432 -18.812 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.288 -18.483 3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.607 -17.613 4.684 1.00 0.00 H new ATOM 8 N SER A 2 15.324 -15.683 3.288 1.00 0.00 N ATOM 9 CA SER A 2 15.869 -14.521 2.608 1.00 0.00 C ATOM 10 C SER A 2 15.864 -14.750 1.095 1.00 0.00 C ATOM 11 O SER A 2 16.845 -15.234 0.533 1.00 0.00 O ATOM 12 CB SER A 2 17.287 -14.213 3.093 1.00 0.00 C ATOM 13 OG SER A 2 17.687 -12.885 2.765 1.00 0.00 O ATOM 0 H SER A 2 14.613 -15.473 3.988 1.00 0.00 H new ATOM 0 HA SER A 2 15.240 -13.662 2.842 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.339 -14.351 4.173 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.985 -14.922 2.647 1.00 0.00 H new ATOM 0 HG SER A 2 18.597 -12.727 3.093 1.00 0.00 H new ATOM 18 N SER A 3 14.747 -14.392 0.478 1.00 0.00 N ATOM 19 CA SER A 3 14.602 -14.553 -0.958 1.00 0.00 C ATOM 20 C SER A 3 14.307 -13.200 -1.610 1.00 0.00 C ATOM 21 O SER A 3 13.160 -12.754 -1.632 1.00 0.00 O ATOM 22 CB SER A 3 13.494 -15.555 -1.292 1.00 0.00 C ATOM 23 OG SER A 3 12.246 -15.182 -0.712 1.00 0.00 O ATOM 0 H SER A 3 13.935 -13.991 0.947 1.00 0.00 H new ATOM 0 HA SER A 3 15.540 -14.944 -1.354 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.384 -15.627 -2.374 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.779 -16.544 -0.934 1.00 0.00 H new ATOM 0 HG SER A 3 12.104 -14.220 -0.831 1.00 0.00 H new ATOM 28 N GLY A 4 15.362 -12.584 -2.124 1.00 0.00 N ATOM 29 CA GLY A 4 15.230 -11.291 -2.773 1.00 0.00 C ATOM 30 C GLY A 4 15.462 -10.151 -1.778 1.00 0.00 C ATOM 31 O GLY A 4 16.109 -10.343 -0.749 1.00 0.00 O ATOM 0 H GLY A 4 16.311 -12.957 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.947 -11.216 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.236 -11.200 -3.211 1.00 0.00 H new ATOM 35 N SER A 5 14.921 -8.991 -2.120 1.00 0.00 N ATOM 36 CA SER A 5 15.060 -7.822 -1.270 1.00 0.00 C ATOM 37 C SER A 5 14.154 -6.697 -1.774 1.00 0.00 C ATOM 38 O SER A 5 13.820 -6.647 -2.956 1.00 0.00 O ATOM 39 CB SER A 5 16.515 -7.347 -1.219 1.00 0.00 C ATOM 40 OG SER A 5 16.668 -6.179 -0.419 1.00 0.00 O ATOM 0 H SER A 5 14.386 -8.836 -2.974 1.00 0.00 H new ATOM 0 HA SER A 5 14.759 -8.098 -0.259 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.143 -8.144 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.865 -7.142 -2.231 1.00 0.00 H new ATOM 0 HG SER A 5 17.610 -5.909 -0.411 1.00 0.00 H new ATOM 45 N SER A 6 13.781 -5.822 -0.851 1.00 0.00 N ATOM 46 CA SER A 6 12.920 -4.701 -1.187 1.00 0.00 C ATOM 47 C SER A 6 11.596 -5.213 -1.760 1.00 0.00 C ATOM 48 O SER A 6 11.539 -5.648 -2.908 1.00 0.00 O ATOM 49 CB SER A 6 13.601 -3.762 -2.183 1.00 0.00 C ATOM 50 OG SER A 6 13.617 -2.414 -1.721 1.00 0.00 O ATOM 0 H SER A 6 14.060 -5.867 0.129 1.00 0.00 H new ATOM 0 HA SER A 6 12.721 -4.137 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.623 -4.098 -2.357 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.082 -3.811 -3.140 1.00 0.00 H new ATOM 0 HG SER A 6 14.062 -1.846 -2.384 1.00 0.00 H new ATOM 55 N GLY A 7 10.563 -5.143 -0.932 1.00 0.00 N ATOM 56 CA GLY A 7 9.245 -5.593 -1.342 1.00 0.00 C ATOM 57 C GLY A 7 9.270 -7.068 -1.749 1.00 0.00 C ATOM 58 O GLY A 7 8.726 -7.439 -2.788 1.00 0.00 O ATOM 0 H GLY A 7 10.613 -4.781 0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.538 -5.450 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.894 -4.988 -2.178 1.00 0.00 H new ATOM 62 N GLY A 8 9.907 -7.869 -0.907 1.00 0.00 N ATOM 63 CA GLY A 8 10.011 -9.295 -1.167 1.00 0.00 C ATOM 64 C GLY A 8 8.710 -9.841 -1.758 1.00 0.00 C ATOM 65 O GLY A 8 8.624 -10.086 -2.960 1.00 0.00 O ATOM 0 H GLY A 8 10.356 -7.558 -0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.835 -9.484 -1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.243 -9.821 -0.241 1.00 0.00 H new ATOM 69 N GLU A 9 7.729 -10.016 -0.885 1.00 0.00 N ATOM 70 CA GLU A 9 6.435 -10.529 -1.305 1.00 0.00 C ATOM 71 C GLU A 9 5.309 -9.724 -0.655 1.00 0.00 C ATOM 72 O GLU A 9 5.308 -9.519 0.558 1.00 0.00 O ATOM 73 CB GLU A 9 6.304 -12.019 -0.981 1.00 0.00 C ATOM 74 CG GLU A 9 5.922 -12.228 0.485 1.00 0.00 C ATOM 75 CD GLU A 9 6.462 -13.561 1.007 1.00 0.00 C ATOM 76 OE1 GLU A 9 7.627 -13.564 1.457 1.00 0.00 O ATOM 77 OE2 GLU A 9 5.697 -14.547 0.945 1.00 0.00 O ATOM 0 H GLU A 9 7.804 -9.812 0.112 1.00 0.00 H new ATOM 0 HA GLU A 9 6.355 -10.419 -2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.549 -12.470 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.246 -12.525 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.317 -11.410 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.837 -12.205 0.589 1.00 0.00 H new ATOM 82 N ILE A 10 4.375 -9.291 -1.490 1.00 0.00 N ATOM 83 CA ILE A 10 3.245 -8.513 -1.010 1.00 0.00 C ATOM 84 C ILE A 10 2.316 -9.419 -0.200 1.00 0.00 C ATOM 85 O ILE A 10 1.630 -10.272 -0.760 1.00 0.00 O ATOM 86 CB ILE A 10 2.551 -7.804 -2.174 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.367 -6.600 -2.649 1.00 0.00 C ATOM 88 CG2 ILE A 10 1.119 -7.415 -1.804 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.291 -5.453 -1.639 1.00 0.00 C ATOM 0 H ILE A 10 4.378 -9.464 -2.495 1.00 0.00 H new ATOM 0 HA ILE A 10 3.583 -7.722 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 10 2.490 -8.501 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.407 -6.895 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.995 -6.263 -3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.649 -6.913 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.552 -8.311 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.135 -6.743 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.880 -4.610 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.253 -5.145 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.687 -5.786 -0.680 1.00 0.00 H new ATOM 100 N ILE A 11 2.323 -9.202 1.107 1.00 0.00 N ATOM 101 CA ILE A 11 1.489 -9.988 2.001 1.00 0.00 C ATOM 102 C ILE A 11 0.347 -9.116 2.525 1.00 0.00 C ATOM 103 O ILE A 11 0.375 -7.895 2.377 1.00 0.00 O ATOM 104 CB ILE A 11 2.336 -10.620 3.107 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.838 -9.559 4.087 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.483 -11.444 2.516 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.709 -9.078 5.001 1.00 0.00 C ATOM 0 H ILE A 11 2.893 -8.493 1.569 1.00 0.00 H new ATOM 0 HA ILE A 11 1.035 -10.820 1.464 1.00 0.00 H new ATOM 0 HB ILE A 11 1.704 -11.306 3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.648 -9.970 4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.248 -8.714 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.070 -11.882 3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.076 -12.238 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.121 -10.799 1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.093 -8.324 5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.911 -8.646 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.317 -9.921 5.570 1.00 0.00 H new ATOM 118 N GLU A 12 -0.632 -9.776 3.125 1.00 0.00 N ATOM 119 CA GLU A 12 -1.782 -9.076 3.671 1.00 0.00 C ATOM 120 C GLU A 12 -1.379 -8.282 4.915 1.00 0.00 C ATOM 121 O GLU A 12 -0.831 -8.841 5.863 1.00 0.00 O ATOM 122 CB GLU A 12 -2.918 -10.051 3.989 1.00 0.00 C ATOM 123 CG GLU A 12 -3.374 -10.791 2.729 1.00 0.00 C ATOM 124 CD GLU A 12 -4.300 -11.957 3.083 1.00 0.00 C ATOM 125 OE1 GLU A 12 -3.968 -12.670 4.056 1.00 0.00 O ATOM 126 OE2 GLU A 12 -5.316 -12.110 2.373 1.00 0.00 O ATOM 0 H GLU A 12 -0.653 -10.789 3.245 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.147 -8.377 2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.586 -10.770 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.759 -9.507 4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.892 -10.100 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.505 -11.164 2.187 1.00 0.00 H new ATOM 131 N GLY A 13 -1.665 -6.988 4.870 1.00 0.00 N ATOM 132 CA GLY A 13 -1.338 -6.111 5.981 1.00 0.00 C ATOM 133 C GLY A 13 -0.413 -4.979 5.532 1.00 0.00 C ATOM 134 O GLY A 13 -0.440 -3.887 6.099 1.00 0.00 O ATOM 0 H GLY A 13 -2.119 -6.527 4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.253 -5.693 6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.858 -6.685 6.773 1.00 0.00 H new ATOM 138 N CYS A 14 0.386 -5.277 4.518 1.00 0.00 N ATOM 139 CA CYS A 14 1.319 -4.298 3.987 1.00 0.00 C ATOM 140 C CYS A 14 0.540 -3.023 3.658 1.00 0.00 C ATOM 141 O CYS A 14 -0.559 -3.086 3.108 1.00 0.00 O ATOM 142 CB CYS A 14 2.071 -4.837 2.768 1.00 0.00 C ATOM 143 SG CYS A 14 3.461 -5.898 3.311 1.00 0.00 S ATOM 0 H CYS A 14 0.406 -6.183 4.050 1.00 0.00 H new ATOM 0 HA CYS A 14 2.081 -4.075 4.733 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.392 -5.408 2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.447 -4.009 2.167 1.00 0.00 H new ATOM 0 HG CYS A 14 4.427 -5.152 3.758 1.00 0.00 H new ATOM 148 N ARG A 15 1.141 -1.895 4.008 1.00 0.00 N ATOM 149 CA ARG A 15 0.518 -0.607 3.757 1.00 0.00 C ATOM 150 C ARG A 15 1.341 0.193 2.745 1.00 0.00 C ATOM 151 O ARG A 15 2.514 0.478 2.982 1.00 0.00 O ATOM 152 CB ARG A 15 0.385 0.202 5.048 1.00 0.00 C ATOM 153 CG ARG A 15 -0.953 -0.078 5.736 1.00 0.00 C ATOM 154 CD ARG A 15 -1.276 1.003 6.770 1.00 0.00 C ATOM 155 NE ARG A 15 -1.352 0.404 8.122 1.00 0.00 N ATOM 156 CZ ARG A 15 -0.288 0.197 8.911 1.00 0.00 C ATOM 157 NH1 ARG A 15 0.937 0.538 8.489 1.00 0.00 N ATOM 158 NH2 ARG A 15 -0.451 -0.352 10.123 1.00 0.00 N ATOM 0 H ARG A 15 2.053 -1.847 4.463 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.478 -0.794 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.204 -0.047 5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.468 1.266 4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.747 -0.122 4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.919 -1.053 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.510 1.778 6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.223 1.483 6.522 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.270 0.132 8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.061 0.956 7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.746 0.380 9.090 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.384 -0.612 10.444 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.358 -0.510 10.724 1.00 0.00 H new ATOM 169 N LEU A 16 0.694 0.533 1.640 1.00 0.00 N ATOM 170 CA LEU A 16 1.352 1.295 0.592 1.00 0.00 C ATOM 171 C LEU A 16 0.318 2.166 -0.126 1.00 0.00 C ATOM 172 O LEU A 16 -0.872 1.854 -0.121 1.00 0.00 O ATOM 173 CB LEU A 16 2.125 0.362 -0.343 1.00 0.00 C ATOM 174 CG LEU A 16 1.636 -1.087 -0.400 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.108 -1.152 -0.364 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.213 -1.813 -1.616 1.00 0.00 C ATOM 0 H LEU A 16 -0.279 0.295 1.448 1.00 0.00 H new ATOM 0 HA LEU A 16 2.095 1.968 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.088 0.777 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.171 0.360 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 16 2.001 -1.606 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.213 -2.193 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.254 -0.697 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.299 -0.612 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.850 -2.841 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.900 -1.303 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.301 -1.814 -1.557 1.00 0.00 H new ATOM 187 N PRO A 17 0.823 3.268 -0.740 1.00 0.00 N ATOM 188 CA PRO A 17 -0.043 4.187 -1.459 1.00 0.00 C ATOM 189 C PRO A 17 -0.476 3.595 -2.802 1.00 0.00 C ATOM 190 O PRO A 17 0.361 3.322 -3.663 1.00 0.00 O ATOM 191 CB PRO A 17 0.771 5.462 -1.607 1.00 0.00 C ATOM 192 CG PRO A 17 2.219 5.061 -1.379 1.00 0.00 C ATOM 193 CD PRO A 17 2.227 3.670 -0.765 1.00 0.00 C ATOM 0 HA PRO A 17 -0.976 4.385 -0.931 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.638 5.898 -2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.455 6.213 -0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.769 5.066 -2.320 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.713 5.773 -0.718 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.826 2.979 -1.358 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.653 3.682 0.238 1.00 0.00 H new ATOM 198 N VAL A 18 -1.781 3.412 -2.940 1.00 0.00 N ATOM 199 CA VAL A 18 -2.334 2.856 -4.164 1.00 0.00 C ATOM 200 C VAL A 18 -2.816 3.995 -5.063 1.00 0.00 C ATOM 201 O VAL A 18 -3.829 4.631 -4.778 1.00 0.00 O ATOM 202 CB VAL A 18 -3.437 1.850 -3.829 1.00 0.00 C ATOM 203 CG1 VAL A 18 -4.146 1.373 -5.099 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.879 0.667 -3.036 1.00 0.00 C ATOM 0 H VAL A 18 -2.472 3.639 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.570 2.308 -4.715 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.172 2.355 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.926 0.659 -4.834 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.594 2.226 -5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.424 0.894 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.684 -0.033 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.114 0.162 -3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.441 1.027 -2.105 1.00 0.00 H new ATOM 214 N LEU A 19 -2.066 4.221 -6.132 1.00 0.00 N ATOM 215 CA LEU A 19 -2.404 5.272 -7.076 1.00 0.00 C ATOM 216 C LEU A 19 -3.921 5.301 -7.280 1.00 0.00 C ATOM 217 O LEU A 19 -4.587 4.276 -7.149 1.00 0.00 O ATOM 218 CB LEU A 19 -1.612 5.103 -8.373 1.00 0.00 C ATOM 219 CG LEU A 19 -2.025 6.010 -9.535 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.363 7.385 -9.419 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.733 5.345 -10.881 1.00 0.00 C ATOM 0 H LEU A 19 -1.225 3.693 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.117 6.246 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.558 5.279 -8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.702 4.066 -8.698 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.102 6.165 -9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.673 8.010 -10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.665 7.856 -8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.279 7.269 -9.434 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.036 6.011 -11.689 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.666 5.139 -10.961 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.289 4.410 -10.953 1.00 0.00 H new ATOM 232 N ARG A 20 -4.421 6.487 -7.595 1.00 0.00 N ATOM 233 CA ARG A 20 -5.846 6.661 -7.818 1.00 0.00 C ATOM 234 C ARG A 20 -6.124 8.046 -8.406 1.00 0.00 C ATOM 235 O ARG A 20 -5.958 9.058 -7.727 1.00 0.00 O ATOM 236 CB ARG A 20 -6.631 6.500 -6.515 1.00 0.00 C ATOM 237 CG ARG A 20 -8.121 6.766 -6.736 1.00 0.00 C ATOM 238 CD ARG A 20 -8.914 5.457 -6.765 1.00 0.00 C ATOM 239 NE ARG A 20 -9.518 5.261 -8.102 1.00 0.00 N ATOM 240 CZ ARG A 20 -8.895 4.665 -9.128 1.00 0.00 C ATOM 241 NH1 ARG A 20 -7.646 4.203 -8.977 1.00 0.00 N ATOM 242 NH2 ARG A 20 -9.521 4.530 -10.305 1.00 0.00 N ATOM 0 H ARG A 20 -3.865 7.336 -7.701 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.169 5.892 -8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.492 5.492 -6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.242 7.189 -5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.501 7.408 -5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.263 7.302 -7.674 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.258 4.620 -6.527 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.694 5.478 -6.004 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.468 5.601 -8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.169 4.305 -8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.172 3.749 -9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.472 4.881 -10.420 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.047 4.076 -11.086 1.00 0.00 H new ATOM 253 N ARG A 21 -6.545 8.048 -9.663 1.00 0.00 N ATOM 254 CA ARG A 21 -6.849 9.291 -10.350 1.00 0.00 C ATOM 255 C ARG A 21 -8.311 9.680 -10.122 1.00 0.00 C ATOM 256 O ARG A 21 -9.208 9.129 -10.758 1.00 0.00 O ATOM 257 CB ARG A 21 -6.588 9.169 -11.852 1.00 0.00 C ATOM 258 CG ARG A 21 -5.087 9.196 -12.153 1.00 0.00 C ATOM 259 CD ARG A 21 -4.828 9.550 -13.618 1.00 0.00 C ATOM 260 NE ARG A 21 -3.508 9.031 -14.038 1.00 0.00 N ATOM 261 CZ ARG A 21 -3.258 7.743 -14.307 1.00 0.00 C ATOM 262 NH1 ARG A 21 -4.237 6.835 -14.202 1.00 0.00 N ATOM 263 NH2 ARG A 21 -2.029 7.362 -14.682 1.00 0.00 N ATOM 0 H ARG A 21 -6.683 7.207 -10.223 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.197 10.063 -9.942 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.021 8.241 -12.226 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.083 9.986 -12.378 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.596 9.924 -11.507 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.650 8.223 -11.927 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.611 9.127 -14.247 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.862 10.631 -13.751 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.740 9.696 -14.128 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.173 7.124 -13.917 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.047 5.854 -14.407 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.283 8.053 -14.763 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.839 6.381 -14.887 1.00 0.00 H new ATOM 274 N ASN A 22 -8.505 10.626 -9.214 1.00 0.00 N ATOM 275 CA ASN A 22 -9.842 11.093 -8.896 1.00 0.00 C ATOM 276 C ASN A 22 -10.493 11.663 -10.158 1.00 0.00 C ATOM 277 O ASN A 22 -9.878 11.681 -11.224 1.00 0.00 O ATOM 278 CB ASN A 22 -9.801 12.202 -7.843 1.00 0.00 C ATOM 279 CG ASN A 22 -8.969 11.779 -6.632 1.00 0.00 C ATOM 280 OD1 ASN A 22 -9.448 11.138 -5.710 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.699 12.170 -6.684 1.00 0.00 N ATOM 0 H ASN A 22 -7.758 11.081 -8.689 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.411 10.248 -8.509 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.379 13.107 -8.280 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.815 12.444 -7.525 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.062 11.936 -5.923 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.362 12.704 -7.485 1.00 0.00 H new ATOM 287 N GLN A 23 -11.728 12.116 -9.996 1.00 0.00 N ATOM 288 CA GLN A 23 -12.467 12.685 -11.110 1.00 0.00 C ATOM 289 C GLN A 23 -11.629 13.754 -11.814 1.00 0.00 C ATOM 290 O GLN A 23 -11.572 13.793 -13.042 1.00 0.00 O ATOM 291 CB GLN A 23 -13.806 13.260 -10.642 1.00 0.00 C ATOM 292 CG GLN A 23 -14.817 12.143 -10.370 1.00 0.00 C ATOM 293 CD GLN A 23 -16.033 12.678 -9.610 1.00 0.00 C ATOM 294 OE1 GLN A 23 -16.019 12.846 -8.403 1.00 0.00 O ATOM 295 NE2 GLN A 23 -17.083 12.935 -10.385 1.00 0.00 N ATOM 0 H GLN A 23 -12.235 12.100 -9.111 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.679 11.889 -11.824 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.657 13.849 -9.737 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.201 13.936 -11.400 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.139 11.701 -11.313 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.342 11.350 -9.792 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.027 12.771 -11.390 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.944 13.296 -9.974 1.00 0.00 H new ATOM 302 N ASP A 24 -10.999 14.593 -11.007 1.00 0.00 N ATOM 303 CA ASP A 24 -10.165 15.659 -11.537 1.00 0.00 C ATOM 304 C ASP A 24 -9.035 15.051 -12.369 1.00 0.00 C ATOM 305 O ASP A 24 -8.446 15.726 -13.211 1.00 0.00 O ATOM 306 CB ASP A 24 -9.534 16.478 -10.409 1.00 0.00 C ATOM 307 CG ASP A 24 -10.441 17.554 -9.807 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.673 17.345 -9.846 1.00 0.00 O ATOM 309 OD2 ASP A 24 -9.881 18.560 -9.320 1.00 0.00 O ATOM 0 H ASP A 24 -11.049 14.557 -9.989 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.795 16.308 -12.145 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.226 15.798 -9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.631 16.956 -10.788 1.00 0.00 H new ATOM 313 N ASN A 25 -8.765 13.781 -12.102 1.00 0.00 N ATOM 314 CA ASN A 25 -7.714 13.074 -12.816 1.00 0.00 C ATOM 315 C ASN A 25 -6.356 13.451 -12.221 1.00 0.00 C ATOM 316 O ASN A 25 -5.385 13.640 -12.952 1.00 0.00 O ATOM 317 CB ASN A 25 -7.703 13.453 -14.298 1.00 0.00 C ATOM 318 CG ASN A 25 -7.257 12.273 -15.163 1.00 0.00 C ATOM 319 OD1 ASN A 25 -6.171 12.254 -15.718 1.00 0.00 O ATOM 320 ND2 ASN A 25 -8.152 11.293 -15.246 1.00 0.00 N ATOM 0 H ASN A 25 -9.255 13.224 -11.402 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.902 12.005 -12.719 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.699 13.775 -14.602 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.033 14.298 -14.456 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.948 10.461 -15.800 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.043 11.373 -14.756 1.00 0.00 H new ATOM 326 N GLU A 26 -6.331 13.549 -10.900 1.00 0.00 N ATOM 327 CA GLU A 26 -5.109 13.901 -10.198 1.00 0.00 C ATOM 328 C GLU A 26 -4.486 12.657 -9.561 1.00 0.00 C ATOM 329 O GLU A 26 -4.971 12.169 -8.541 1.00 0.00 O ATOM 330 CB GLU A 26 -5.369 14.983 -9.149 1.00 0.00 C ATOM 331 CG GLU A 26 -5.861 16.275 -9.804 1.00 0.00 C ATOM 332 CD GLU A 26 -5.750 17.456 -8.838 1.00 0.00 C ATOM 333 OE1 GLU A 26 -6.242 17.305 -7.698 1.00 0.00 O ATOM 334 OE2 GLU A 26 -5.177 18.484 -9.261 1.00 0.00 O ATOM 0 H GLU A 26 -7.138 13.391 -10.297 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.403 14.308 -10.922 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.110 14.629 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.454 15.180 -8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.276 16.478 -10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.897 16.155 -10.120 1.00 0.00 H new ATOM 339 N ASP A 27 -3.421 12.179 -10.188 1.00 0.00 N ATOM 340 CA ASP A 27 -2.728 11.002 -9.695 1.00 0.00 C ATOM 341 C ASP A 27 -2.497 11.144 -8.189 1.00 0.00 C ATOM 342 O ASP A 27 -1.598 11.866 -7.761 1.00 0.00 O ATOM 343 CB ASP A 27 -1.364 10.843 -10.369 1.00 0.00 C ATOM 344 CG ASP A 27 -0.325 11.896 -9.981 1.00 0.00 C ATOM 345 OD1 ASP A 27 -0.368 12.987 -10.590 1.00 0.00 O ATOM 346 OD2 ASP A 27 0.491 11.587 -9.086 1.00 0.00 O ATOM 0 H ASP A 27 -3.021 12.586 -11.034 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.344 10.131 -9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.968 9.857 -10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.504 10.873 -11.450 1.00 0.00 H new ATOM 350 N GLU A 28 -3.325 10.445 -7.426 1.00 0.00 N ATOM 351 CA GLU A 28 -3.223 10.485 -5.978 1.00 0.00 C ATOM 352 C GLU A 28 -2.404 9.295 -5.471 1.00 0.00 C ATOM 353 O GLU A 28 -2.073 8.393 -6.238 1.00 0.00 O ATOM 354 CB GLU A 28 -4.609 10.512 -5.331 1.00 0.00 C ATOM 355 CG GLU A 28 -4.521 10.946 -3.866 1.00 0.00 C ATOM 356 CD GLU A 28 -5.758 11.750 -3.457 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.746 11.697 -4.220 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.684 12.400 -2.392 1.00 0.00 O ATOM 0 H GLU A 28 -4.070 9.847 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.708 11.403 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.257 11.196 -5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.063 9.523 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.426 10.067 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.625 11.548 -3.714 1.00 0.00 H new ATOM 363 N TRP A 29 -2.102 9.332 -4.181 1.00 0.00 N ATOM 364 CA TRP A 29 -1.330 8.269 -3.563 1.00 0.00 C ATOM 365 C TRP A 29 -1.823 8.102 -2.124 1.00 0.00 C ATOM 366 O TRP A 29 -1.076 8.343 -1.176 1.00 0.00 O ATOM 367 CB TRP A 29 0.169 8.557 -3.652 1.00 0.00 C ATOM 368 CG TRP A 29 0.718 8.568 -5.080 1.00 0.00 C ATOM 369 CD1 TRP A 29 0.933 9.627 -5.873 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.115 7.419 -5.857 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.437 9.245 -7.100 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.551 7.860 -7.090 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.106 6.052 -5.530 1.00 0.00 C ATOM 374 CZ2 TRP A 29 2.011 6.999 -8.094 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.567 5.204 -6.544 1.00 0.00 C ATOM 376 CH2 TRP A 29 2.010 5.633 -7.790 1.00 0.00 C ATOM 0 H TRP A 29 -2.379 10.082 -3.547 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.477 7.328 -4.093 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.371 9.523 -3.189 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.707 7.807 -3.073 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.737 10.650 -5.588 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.681 9.865 -7.872 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.770 5.685 -4.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.348 7.369 -9.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.579 4.143 -6.344 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.352 4.915 -8.521 1.00 0.00 H new ATOM 386 N PRO A 30 -3.110 7.680 -2.002 1.00 0.00 N ATOM 387 CA PRO A 30 -3.711 7.477 -0.694 1.00 0.00 C ATOM 388 C PRO A 30 -3.192 6.194 -0.045 1.00 0.00 C ATOM 389 O PRO A 30 -2.891 5.221 -0.736 1.00 0.00 O ATOM 390 CB PRO A 30 -5.209 7.450 -0.950 1.00 0.00 C ATOM 391 CG PRO A 30 -5.373 7.173 -2.435 1.00 0.00 C ATOM 392 CD PRO A 30 -4.023 7.384 -3.102 1.00 0.00 C ATOM 0 HA PRO A 30 -3.455 8.266 0.014 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.693 6.677 -0.353 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.669 8.400 -0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.723 6.153 -2.596 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.120 7.839 -2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.709 6.496 -3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.059 8.204 -3.819 1.00 0.00 H new ATOM 397 N LEU A 31 -3.102 6.231 1.277 1.00 0.00 N ATOM 398 CA LEU A 31 -2.625 5.082 2.028 1.00 0.00 C ATOM 399 C LEU A 31 -3.624 3.933 1.882 1.00 0.00 C ATOM 400 O LEU A 31 -4.830 4.133 2.016 1.00 0.00 O ATOM 401 CB LEU A 31 -2.342 5.471 3.480 1.00 0.00 C ATOM 402 CG LEU A 31 -1.222 4.696 4.176 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.650 3.255 4.464 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.074 4.757 3.365 1.00 0.00 C ATOM 0 H LEU A 31 -3.352 7.039 1.847 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.675 4.731 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.095 6.532 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.259 5.341 4.055 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.023 5.172 5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.836 2.726 4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.527 3.258 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.892 2.753 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.854 4.198 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.092 4.321 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.385 5.796 3.254 1.00 0.00 H new ATOM 415 N ALA A 32 -3.085 2.753 1.610 1.00 0.00 N ATOM 416 CA ALA A 32 -3.913 1.572 1.446 1.00 0.00 C ATOM 417 C ALA A 32 -3.247 0.385 2.143 1.00 0.00 C ATOM 418 O ALA A 32 -2.021 0.318 2.227 1.00 0.00 O ATOM 419 CB ALA A 32 -4.148 1.316 -0.044 1.00 0.00 C ATOM 0 H ALA A 32 -2.084 2.591 1.499 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.888 1.721 1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.770 0.429 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.651 2.176 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.191 1.160 -0.542 1.00 0.00 H new ATOM 425 N GLU A 33 -4.082 -0.524 2.626 1.00 0.00 N ATOM 426 CA GLU A 33 -3.589 -1.705 3.314 1.00 0.00 C ATOM 427 C GLU A 33 -3.992 -2.970 2.553 1.00 0.00 C ATOM 428 O GLU A 33 -5.153 -3.129 2.179 1.00 0.00 O ATOM 429 CB GLU A 33 -4.093 -1.749 4.758 1.00 0.00 C ATOM 430 CG GLU A 33 -3.326 -2.793 5.574 1.00 0.00 C ATOM 431 CD GLU A 33 -4.109 -3.190 6.827 1.00 0.00 C ATOM 432 OE1 GLU A 33 -4.901 -4.151 6.721 1.00 0.00 O ATOM 433 OE2 GLU A 33 -3.897 -2.523 7.863 1.00 0.00 O ATOM 0 H GLU A 33 -5.098 -0.466 2.554 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.501 -1.655 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.978 -0.767 5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.157 -1.984 4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.141 -3.675 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.353 -2.394 5.860 1.00 0.00 H new ATOM 438 N ILE A 34 -3.011 -3.836 2.347 1.00 0.00 N ATOM 439 CA ILE A 34 -3.250 -5.081 1.638 1.00 0.00 C ATOM 440 C ILE A 34 -4.187 -5.963 2.464 1.00 0.00 C ATOM 441 O ILE A 34 -4.026 -6.079 3.679 1.00 0.00 O ATOM 442 CB ILE A 34 -1.924 -5.758 1.282 1.00 0.00 C ATOM 443 CG1 ILE A 34 -0.995 -4.791 0.545 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.161 -7.043 0.488 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.313 -4.761 -0.952 1.00 0.00 C ATOM 0 H ILE A 34 -2.049 -3.700 2.659 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.749 -4.888 0.688 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.425 -6.040 2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.100 -3.790 0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.042 -5.092 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.203 -7.504 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.757 -7.734 1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.692 -6.808 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.639 -4.066 -1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.184 -5.759 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.343 -4.437 -1.099 1.00 0.00 H new ATOM 456 N LEU A 35 -5.146 -6.562 1.775 1.00 0.00 N ATOM 457 CA LEU A 35 -6.110 -7.430 2.431 1.00 0.00 C ATOM 458 C LEU A 35 -5.977 -8.847 1.871 1.00 0.00 C ATOM 459 O LEU A 35 -5.998 -9.820 2.624 1.00 0.00 O ATOM 460 CB LEU A 35 -7.521 -6.851 2.311 1.00 0.00 C ATOM 461 CG LEU A 35 -7.680 -5.381 2.708 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.137 -4.933 2.577 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.126 -5.130 4.111 1.00 0.00 C ATOM 0 H LEU A 35 -5.277 -6.464 0.768 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.905 -7.489 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.853 -6.966 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.191 -7.448 2.930 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.094 -4.774 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.223 -3.885 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.463 -5.053 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.765 -5.541 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.251 -4.078 4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.665 -5.747 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.067 -5.386 4.135 1.00 0.00 H new ATOM 474 N SER A 36 -5.844 -8.919 0.554 1.00 0.00 N ATOM 475 CA SER A 36 -5.707 -10.201 -0.115 1.00 0.00 C ATOM 476 C SER A 36 -5.062 -10.009 -1.489 1.00 0.00 C ATOM 477 O SER A 36 -5.261 -8.980 -2.132 1.00 0.00 O ATOM 478 CB SER A 36 -7.063 -10.895 -0.257 1.00 0.00 C ATOM 479 OG SER A 36 -6.961 -12.307 -0.096 1.00 0.00 O ATOM 0 H SER A 36 -5.828 -8.110 -0.067 1.00 0.00 H new ATOM 0 HA SER A 36 -5.065 -10.838 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.754 -10.495 0.485 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.483 -10.672 -1.238 1.00 0.00 H new ATOM 0 HG SER A 36 -6.415 -12.508 0.693 1.00 0.00 H new ATOM 484 N VAL A 37 -4.302 -11.016 -1.896 1.00 0.00 N ATOM 485 CA VAL A 37 -3.626 -10.969 -3.182 1.00 0.00 C ATOM 486 C VAL A 37 -4.273 -11.983 -4.129 1.00 0.00 C ATOM 487 O VAL A 37 -5.071 -12.815 -3.701 1.00 0.00 O ATOM 488 CB VAL A 37 -2.126 -11.200 -2.993 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.392 -11.163 -4.335 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.534 -10.181 -2.017 1.00 0.00 C ATOM 0 H VAL A 37 -4.140 -11.868 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.734 -9.984 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.991 -12.193 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.327 -11.330 -4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.786 -11.943 -4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.539 -10.190 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.466 -10.367 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.686 -9.174 -2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.027 -10.275 -1.049 1.00 0.00 H new ATOM 500 N LYS A 38 -3.903 -11.879 -5.397 1.00 0.00 N ATOM 501 CA LYS A 38 -4.437 -12.776 -6.408 1.00 0.00 C ATOM 502 C LYS A 38 -3.502 -12.786 -7.619 1.00 0.00 C ATOM 503 O LYS A 38 -2.463 -12.126 -7.612 1.00 0.00 O ATOM 504 CB LYS A 38 -5.880 -12.401 -6.749 1.00 0.00 C ATOM 505 CG LYS A 38 -6.678 -13.632 -7.185 1.00 0.00 C ATOM 506 CD LYS A 38 -7.096 -13.522 -8.653 1.00 0.00 C ATOM 507 CE LYS A 38 -8.615 -13.391 -8.781 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.020 -11.968 -8.726 1.00 0.00 N ATOM 0 H LYS A 38 -3.240 -11.187 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.479 -13.797 -6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.355 -11.944 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.888 -11.657 -7.546 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.077 -14.530 -7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.563 -13.737 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.613 -12.658 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.756 -14.402 -9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.946 -13.833 -9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.102 -13.945 -7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.458 -11.767 -7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.183 -11.364 -8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.704 -11.772 -9.484 1.00 0.00 H new ATOM 518 N ASP A 39 -3.902 -13.543 -8.629 1.00 0.00 N ATOM 519 CA ASP A 39 -3.114 -13.648 -9.845 1.00 0.00 C ATOM 520 C ASP A 39 -3.986 -14.213 -10.967 1.00 0.00 C ATOM 521 O ASP A 39 -4.563 -15.291 -10.827 1.00 0.00 O ATOM 522 CB ASP A 39 -1.924 -14.591 -9.650 1.00 0.00 C ATOM 523 CG ASP A 39 -1.363 -15.200 -10.937 1.00 0.00 C ATOM 524 OD1 ASP A 39 -0.610 -14.477 -11.624 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.701 -16.373 -11.205 1.00 0.00 O ATOM 0 H ASP A 39 -4.763 -14.090 -8.630 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.748 -12.652 -10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.126 -14.045 -9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.226 -15.400 -8.985 1.00 0.00 H new ATOM 529 N ILE A 40 -4.055 -13.462 -12.056 1.00 0.00 N ATOM 530 CA ILE A 40 -4.847 -13.875 -13.202 1.00 0.00 C ATOM 531 C ILE A 40 -3.978 -13.831 -14.459 1.00 0.00 C ATOM 532 O ILE A 40 -4.087 -12.907 -15.263 1.00 0.00 O ATOM 533 CB ILE A 40 -6.120 -13.031 -13.304 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.923 -13.090 -12.004 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.958 -13.448 -14.515 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.515 -11.721 -11.662 1.00 0.00 C ATOM 0 H ILE A 40 -3.575 -12.569 -12.169 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.183 -14.905 -13.083 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.829 -11.991 -13.455 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.724 -13.823 -12.100 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.280 -13.426 -11.190 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.857 -12.833 -14.565 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.374 -13.312 -15.426 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.240 -14.496 -14.418 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.081 -11.791 -10.733 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.710 -10.996 -11.542 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.176 -11.399 -12.467 1.00 0.00 H new ATOM 547 N SER A 41 -3.134 -14.844 -14.592 1.00 0.00 N ATOM 548 CA SER A 41 -2.246 -14.934 -15.739 1.00 0.00 C ATOM 549 C SER A 41 -1.165 -13.855 -15.649 1.00 0.00 C ATOM 550 O SER A 41 -0.854 -13.200 -16.643 1.00 0.00 O ATOM 551 CB SER A 41 -3.024 -14.800 -17.049 1.00 0.00 C ATOM 552 OG SER A 41 -2.629 -15.777 -18.008 1.00 0.00 O ATOM 0 H SER A 41 -3.046 -15.610 -13.924 1.00 0.00 H new ATOM 0 HA SER A 41 -1.772 -15.915 -15.729 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.091 -14.900 -16.849 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.869 -13.803 -17.462 1.00 0.00 H new ATOM 0 HG SER A 41 -3.150 -15.659 -18.829 1.00 0.00 H new ATOM 557 N GLY A 42 -0.623 -13.703 -14.450 1.00 0.00 N ATOM 558 CA GLY A 42 0.417 -12.715 -14.218 1.00 0.00 C ATOM 559 C GLY A 42 -0.163 -11.448 -13.584 1.00 0.00 C ATOM 560 O GLY A 42 0.526 -10.753 -12.839 1.00 0.00 O ATOM 0 H GLY A 42 -0.885 -14.248 -13.628 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.183 -13.134 -13.566 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.903 -12.465 -15.161 1.00 0.00 H new ATOM 564 N ARG A 43 -1.422 -11.188 -13.904 1.00 0.00 N ATOM 565 CA ARG A 43 -2.102 -10.018 -13.374 1.00 0.00 C ATOM 566 C ARG A 43 -2.420 -10.215 -11.891 1.00 0.00 C ATOM 567 O ARG A 43 -3.518 -10.646 -11.541 1.00 0.00 O ATOM 568 CB ARG A 43 -3.399 -9.743 -14.137 1.00 0.00 C ATOM 569 CG ARG A 43 -3.716 -8.247 -14.156 1.00 0.00 C ATOM 570 CD ARG A 43 -4.644 -7.867 -12.999 1.00 0.00 C ATOM 571 NE ARG A 43 -5.716 -6.970 -13.483 1.00 0.00 N ATOM 572 CZ ARG A 43 -6.733 -7.365 -14.261 1.00 0.00 C ATOM 573 NH1 ARG A 43 -6.822 -8.645 -14.647 1.00 0.00 N ATOM 574 NH2 ARG A 43 -7.661 -6.480 -14.652 1.00 0.00 N ATOM 0 H ARG A 43 -1.989 -11.767 -14.523 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.436 -9.164 -13.494 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.310 -10.113 -15.159 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.221 -10.287 -13.672 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.791 -7.675 -14.087 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.184 -7.983 -15.104 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.080 -8.765 -12.562 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.074 -7.374 -12.212 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.679 -5.989 -13.207 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.116 -9.318 -14.349 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.596 -8.946 -15.239 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.593 -5.506 -14.357 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.435 -6.781 -15.244 1.00 0.00 H new ATOM 585 N LYS A 44 -1.442 -9.889 -11.060 1.00 0.00 N ATOM 586 CA LYS A 44 -1.606 -10.026 -9.622 1.00 0.00 C ATOM 587 C LYS A 44 -2.550 -8.935 -9.115 1.00 0.00 C ATOM 588 O LYS A 44 -2.323 -7.750 -9.355 1.00 0.00 O ATOM 589 CB LYS A 44 -0.243 -10.030 -8.926 1.00 0.00 C ATOM 590 CG LYS A 44 0.162 -11.450 -8.523 1.00 0.00 C ATOM 591 CD LYS A 44 0.444 -11.533 -7.021 1.00 0.00 C ATOM 592 CE LYS A 44 1.776 -10.865 -6.675 1.00 0.00 C ATOM 593 NZ LYS A 44 2.868 -11.864 -6.662 1.00 0.00 N ATOM 0 H LYS A 44 -0.533 -9.531 -11.354 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.066 -10.984 -9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.510 -9.608 -9.591 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.280 -9.394 -8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.633 -12.148 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.049 -11.751 -9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.363 -11.051 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.465 -12.577 -6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.998 -10.084 -7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.705 -10.382 -5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.765 -11.394 -6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.662 -12.595 -5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.945 -12.306 -7.600 1.00 0.00 H new ATOM 603 N LEU A 45 -3.592 -9.374 -8.423 1.00 0.00 N ATOM 604 CA LEU A 45 -4.573 -8.450 -7.880 1.00 0.00 C ATOM 605 C LEU A 45 -4.424 -8.390 -6.358 1.00 0.00 C ATOM 606 O LEU A 45 -4.176 -9.409 -5.715 1.00 0.00 O ATOM 607 CB LEU A 45 -5.980 -8.827 -8.346 1.00 0.00 C ATOM 608 CG LEU A 45 -6.596 -7.927 -9.419 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.509 -7.228 -10.238 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.565 -8.713 -10.305 1.00 0.00 C ATOM 0 H LEU A 45 -3.778 -10.357 -8.226 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.397 -7.443 -8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.953 -9.848 -8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.640 -8.828 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.175 -7.149 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.974 -6.594 -10.994 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.894 -6.615 -9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.884 -7.976 -10.726 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.988 -8.049 -11.059 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.031 -9.526 -10.796 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.367 -9.124 -9.692 1.00 0.00 H new ATOM 621 N PHE A 46 -4.581 -7.187 -5.826 1.00 0.00 N ATOM 622 CA PHE A 46 -4.468 -6.982 -4.393 1.00 0.00 C ATOM 623 C PHE A 46 -5.611 -6.109 -3.872 1.00 0.00 C ATOM 624 O PHE A 46 -5.778 -4.972 -4.310 1.00 0.00 O ATOM 625 CB PHE A 46 -3.140 -6.262 -4.149 1.00 0.00 C ATOM 626 CG PHE A 46 -1.949 -6.886 -4.880 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.746 -6.619 -6.198 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.095 -7.706 -4.212 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.642 -7.198 -6.877 1.00 0.00 C ATOM 630 CE2 PHE A 46 0.010 -8.285 -4.891 1.00 0.00 C ATOM 631 CZ PHE A 46 0.214 -8.019 -6.209 1.00 0.00 C ATOM 0 H PHE A 46 -4.786 -6.344 -6.362 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.514 -7.940 -3.875 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.240 -5.222 -4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.933 -6.256 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.424 -5.967 -6.728 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.257 -7.917 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.481 -6.987 -7.924 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.688 -8.937 -4.360 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.054 -8.459 -6.725 1.00 0.00 H new ATOM 640 N TYR A 47 -6.368 -6.674 -2.942 1.00 0.00 N ATOM 641 CA TYR A 47 -7.491 -5.962 -2.357 1.00 0.00 C ATOM 642 C TYR A 47 -7.018 -4.991 -1.273 1.00 0.00 C ATOM 643 O TYR A 47 -6.960 -5.348 -0.098 1.00 0.00 O ATOM 644 CB TYR A 47 -8.379 -7.031 -1.717 1.00 0.00 C ATOM 645 CG TYR A 47 -9.818 -6.574 -1.465 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.547 -5.995 -2.484 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.386 -6.739 -0.217 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.901 -5.566 -2.246 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.740 -6.310 0.019 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.431 -5.743 -1.007 1.00 0.00 C ATOM 651 OH TYR A 47 -13.709 -5.338 -0.783 1.00 0.00 O ATOM 0 H TYR A 47 -6.225 -7.617 -2.580 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.017 -5.381 -3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.395 -7.910 -2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.935 -7.339 -0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.102 -5.864 -3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.815 -7.190 0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.483 -5.113 -3.035 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.197 -6.436 0.989 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.876 -4.501 -1.264 1.00 0.00 H new ATOM 660 N VAL A 48 -6.694 -3.782 -1.708 1.00 0.00 N ATOM 661 CA VAL A 48 -6.230 -2.757 -0.789 1.00 0.00 C ATOM 662 C VAL A 48 -7.409 -1.876 -0.374 1.00 0.00 C ATOM 663 O VAL A 48 -8.243 -1.518 -1.205 1.00 0.00 O ATOM 664 CB VAL A 48 -5.086 -1.964 -1.425 1.00 0.00 C ATOM 665 CG1 VAL A 48 -3.973 -2.897 -1.905 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.598 -1.087 -2.570 1.00 0.00 C ATOM 0 H VAL A 48 -6.744 -3.490 -2.684 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.830 -3.211 0.118 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.667 -1.308 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.172 -2.308 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.580 -3.460 -1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.373 -3.589 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.766 -0.534 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.054 -1.716 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.339 -0.385 -2.187 1.00 0.00 H new ATOM 676 N HIS A 49 -7.443 -1.552 0.910 1.00 0.00 N ATOM 677 CA HIS A 49 -8.507 -0.720 1.444 1.00 0.00 C ATOM 678 C HIS A 49 -7.945 0.651 1.825 1.00 0.00 C ATOM 679 O HIS A 49 -7.109 0.756 2.720 1.00 0.00 O ATOM 680 CB HIS A 49 -9.209 -1.419 2.611 1.00 0.00 C ATOM 681 CG HIS A 49 -9.960 -0.481 3.526 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.261 -0.075 3.279 1.00 0.00 N ATOM 683 CD2 HIS A 49 -9.582 0.123 4.688 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.637 0.739 4.254 1.00 0.00 C ATOM 685 NE2 HIS A 49 -10.595 0.861 5.126 1.00 0.00 N ATOM 0 H HIS A 49 -6.750 -1.851 1.596 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.268 -0.562 0.680 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.905 -2.157 2.213 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.467 -1.963 3.195 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.621 0.019 5.171 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.599 1.221 4.343 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -10.594 1.426 5.975 1.00 0.00 H new ATOM 692 N TYR A 50 -8.429 1.667 1.125 1.00 0.00 N ATOM 693 CA TYR A 50 -7.984 3.028 1.379 1.00 0.00 C ATOM 694 C TYR A 50 -8.292 3.446 2.818 1.00 0.00 C ATOM 695 O TYR A 50 -9.396 3.220 3.311 1.00 0.00 O ATOM 696 CB TYR A 50 -8.779 3.916 0.421 1.00 0.00 C ATOM 697 CG TYR A 50 -8.367 3.775 -1.046 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.469 2.797 -1.419 1.00 0.00 C ATOM 699 CD2 TYR A 50 -8.894 4.627 -1.995 1.00 0.00 C ATOM 700 CE1 TYR A 50 -7.081 2.665 -2.800 1.00 0.00 C ATOM 701 CE2 TYR A 50 -8.505 4.495 -3.375 1.00 0.00 C ATOM 702 CZ TYR A 50 -7.618 3.520 -3.709 1.00 0.00 C ATOM 703 OH TYR A 50 -7.252 3.395 -5.013 1.00 0.00 O ATOM 0 H TYR A 50 -9.123 1.576 0.384 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.907 3.114 1.233 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.838 3.677 0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.659 4.957 0.723 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.057 2.130 -0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.598 5.392 -1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.379 1.903 -3.106 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -8.909 5.156 -4.128 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.890 2.814 -5.478 1.00 0.00 H new ATOM 712 N ILE A 51 -7.296 4.048 3.452 1.00 0.00 N ATOM 713 CA ILE A 51 -7.446 4.499 4.824 1.00 0.00 C ATOM 714 C ILE A 51 -7.296 6.021 4.876 1.00 0.00 C ATOM 715 O ILE A 51 -7.143 6.597 5.951 1.00 0.00 O ATOM 716 CB ILE A 51 -6.476 3.755 5.743 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.093 3.635 5.099 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.040 2.390 6.146 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.901 2.257 4.465 1.00 0.00 C ATOM 0 H ILE A 51 -6.382 4.234 3.040 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.444 4.263 5.194 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.357 4.337 6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.973 4.408 4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.322 3.804 5.851 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.331 1.882 6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.984 2.528 6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.207 1.787 5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.910 2.199 4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.997 1.487 5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.658 2.101 3.697 1.00 0.00 H new ATOM 730 N ASP A 52 -7.347 6.628 3.698 1.00 0.00 N ATOM 731 CA ASP A 52 -7.218 8.072 3.596 1.00 0.00 C ATOM 732 C ASP A 52 -8.244 8.600 2.592 1.00 0.00 C ATOM 733 O ASP A 52 -8.240 8.206 1.427 1.00 0.00 O ATOM 734 CB ASP A 52 -5.825 8.467 3.100 1.00 0.00 C ATOM 735 CG ASP A 52 -5.396 9.894 3.447 1.00 0.00 C ATOM 736 OD1 ASP A 52 -5.449 10.225 4.651 1.00 0.00 O ATOM 737 OD2 ASP A 52 -5.025 10.621 2.501 1.00 0.00 O ATOM 0 H ASP A 52 -7.476 6.147 2.808 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.382 8.497 4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.096 7.773 3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.794 8.347 2.017 1.00 0.00 H new ATOM 741 N PHE A 53 -9.101 9.485 3.080 1.00 0.00 N ATOM 742 CA PHE A 53 -10.132 10.072 2.241 1.00 0.00 C ATOM 743 C PHE A 53 -11.022 8.989 1.629 1.00 0.00 C ATOM 744 O PHE A 53 -10.561 8.185 0.820 1.00 0.00 O ATOM 745 CB PHE A 53 -9.418 10.824 1.116 1.00 0.00 C ATOM 746 CG PHE A 53 -10.292 11.860 0.407 1.00 0.00 C ATOM 747 CD1 PHE A 53 -10.899 12.844 1.124 1.00 0.00 C ATOM 748 CD2 PHE A 53 -10.463 11.797 -0.941 1.00 0.00 C ATOM 749 CE1 PHE A 53 -11.711 13.804 0.466 1.00 0.00 C ATOM 750 CE2 PHE A 53 -11.275 12.759 -1.599 1.00 0.00 C ATOM 751 CZ PHE A 53 -11.882 13.742 -0.882 1.00 0.00 C ATOM 0 H PHE A 53 -9.102 9.810 4.047 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.764 10.732 2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.541 11.324 1.527 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.059 10.103 0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.763 12.895 2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.982 11.016 -1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.193 14.584 1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.410 12.710 -2.669 1.00 0.00 H new ATOM 0 HZ PHE A 53 -12.500 14.473 -1.383 1.00 0.00 H new ATOM 760 N ASN A 54 -12.282 9.003 2.038 1.00 0.00 N ATOM 761 CA ASN A 54 -13.242 8.033 1.539 1.00 0.00 C ATOM 762 C ASN A 54 -13.430 8.234 0.035 1.00 0.00 C ATOM 763 O ASN A 54 -13.099 9.291 -0.500 1.00 0.00 O ATOM 764 CB ASN A 54 -14.604 8.208 2.214 1.00 0.00 C ATOM 765 CG ASN A 54 -15.188 9.591 1.920 1.00 0.00 C ATOM 766 OD1 ASN A 54 -14.558 10.443 1.315 1.00 0.00 O ATOM 767 ND2 ASN A 54 -16.424 9.765 2.380 1.00 0.00 N ATOM 0 H ASN A 54 -12.661 9.671 2.710 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.857 7.036 1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.290 7.437 1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.500 8.075 3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.902 10.654 2.234 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.894 9.009 2.879 1.00 0.00 H new ATOM 773 N ARG A 55 -13.963 7.204 -0.606 1.00 0.00 N ATOM 774 CA ARG A 55 -14.200 7.255 -2.038 1.00 0.00 C ATOM 775 C ARG A 55 -14.783 5.928 -2.528 1.00 0.00 C ATOM 776 O ARG A 55 -15.781 5.911 -3.246 1.00 0.00 O ATOM 777 CB ARG A 55 -12.905 7.547 -2.800 1.00 0.00 C ATOM 778 CG ARG A 55 -13.151 7.567 -4.310 1.00 0.00 C ATOM 779 CD ARG A 55 -13.831 8.869 -4.739 1.00 0.00 C ATOM 780 NE ARG A 55 -14.833 8.595 -5.793 1.00 0.00 N ATOM 781 CZ ARG A 55 -15.746 9.482 -6.211 1.00 0.00 C ATOM 782 NH1 ARG A 55 -15.789 10.706 -5.665 1.00 0.00 N ATOM 783 NH2 ARG A 55 -16.616 9.145 -7.172 1.00 0.00 N ATOM 0 H ARG A 55 -14.237 6.329 -0.159 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.910 8.060 -2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.500 8.507 -2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.158 6.790 -2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.204 7.457 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.774 6.718 -4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.313 9.337 -3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.086 9.573 -5.109 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.828 7.673 -6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.127 10.961 -4.932 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.484 11.382 -5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.583 8.213 -7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.311 9.820 -7.490 1.00 0.00 H new ATOM 794 N ARG A 56 -14.135 4.847 -2.119 1.00 0.00 N ATOM 795 CA ARG A 56 -14.576 3.518 -2.506 1.00 0.00 C ATOM 796 C ARG A 56 -14.446 2.550 -1.328 1.00 0.00 C ATOM 797 O ARG A 56 -15.376 1.804 -1.028 1.00 0.00 O ATOM 798 CB ARG A 56 -13.758 2.987 -3.686 1.00 0.00 C ATOM 799 CG ARG A 56 -14.537 1.921 -4.458 1.00 0.00 C ATOM 800 CD ARG A 56 -14.743 2.340 -5.915 1.00 0.00 C ATOM 801 NE ARG A 56 -14.440 1.204 -6.815 1.00 0.00 N ATOM 802 CZ ARG A 56 -15.129 0.055 -6.834 1.00 0.00 C ATOM 803 NH1 ARG A 56 -16.165 -0.118 -6.002 1.00 0.00 N ATOM 804 NH2 ARG A 56 -14.783 -0.920 -7.685 1.00 0.00 N ATOM 0 H ARG A 56 -13.307 4.865 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 56 -15.621 3.591 -2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.501 3.809 -4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -12.821 2.566 -3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.999 0.974 -4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.504 1.757 -3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.771 2.670 -6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.098 3.186 -6.154 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.657 1.302 -7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.429 0.625 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.690 -0.992 -6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.995 -0.788 -8.319 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.308 -1.795 -7.699 1.00 0.00 H new ATOM 815 N LEU A 57 -13.284 2.596 -0.693 1.00 0.00 N ATOM 816 CA LEU A 57 -13.020 1.733 0.446 1.00 0.00 C ATOM 817 C LEU A 57 -13.003 0.274 -0.018 1.00 0.00 C ATOM 818 O LEU A 57 -13.966 -0.201 -0.617 1.00 0.00 O ATOM 819 CB LEU A 57 -14.020 2.008 1.571 1.00 0.00 C ATOM 820 CG LEU A 57 -13.984 3.416 2.169 1.00 0.00 C ATOM 821 CD1 LEU A 57 -15.220 3.676 3.032 1.00 0.00 C ATOM 822 CD2 LEU A 57 -12.686 3.650 2.943 1.00 0.00 C ATOM 0 H LEU A 57 -12.515 3.217 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.037 1.947 0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.025 1.821 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -13.843 1.290 2.372 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.005 4.135 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -15.170 4.683 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.117 3.579 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -15.255 2.951 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.686 4.658 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.610 2.925 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.836 3.534 2.271 1.00 0.00 H new ATOM 833 N ASP A 58 -11.898 -0.395 0.277 1.00 0.00 N ATOM 834 CA ASP A 58 -11.743 -1.788 -0.102 1.00 0.00 C ATOM 835 C ASP A 58 -11.971 -1.931 -1.609 1.00 0.00 C ATOM 836 O ASP A 58 -13.111 -1.924 -2.072 1.00 0.00 O ATOM 837 CB ASP A 58 -12.765 -2.671 0.616 1.00 0.00 C ATOM 838 CG ASP A 58 -12.648 -2.687 2.141 1.00 0.00 C ATOM 839 OD1 ASP A 58 -11.705 -3.347 2.632 1.00 0.00 O ATOM 840 OD2 ASP A 58 -13.502 -2.039 2.783 1.00 0.00 O ATOM 0 H ASP A 58 -11.101 0.003 0.774 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.737 -2.102 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.766 -2.334 0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.663 -3.692 0.248 1.00 0.00 H new ATOM 844 N GLU A 59 -10.869 -2.057 -2.332 1.00 0.00 N ATOM 845 CA GLU A 59 -10.933 -2.201 -3.776 1.00 0.00 C ATOM 846 C GLU A 59 -9.715 -2.972 -4.289 1.00 0.00 C ATOM 847 O GLU A 59 -8.613 -2.815 -3.766 1.00 0.00 O ATOM 848 CB GLU A 59 -11.047 -0.837 -4.460 1.00 0.00 C ATOM 849 CG GLU A 59 -9.767 -0.020 -4.267 1.00 0.00 C ATOM 850 CD GLU A 59 -10.080 1.356 -3.676 1.00 0.00 C ATOM 851 OE1 GLU A 59 -10.303 1.408 -2.447 1.00 0.00 O ATOM 852 OE2 GLU A 59 -10.087 2.325 -4.465 1.00 0.00 O ATOM 0 H GLU A 59 -9.925 -2.062 -1.945 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.829 -2.770 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.238 -0.974 -5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.897 -0.291 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.085 -0.556 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.259 0.098 -5.224 1.00 0.00 H new ATOM 857 N TRP A 60 -9.954 -3.786 -5.305 1.00 0.00 N ATOM 858 CA TRP A 60 -8.889 -4.582 -5.894 1.00 0.00 C ATOM 859 C TRP A 60 -8.005 -3.647 -6.724 1.00 0.00 C ATOM 860 O TRP A 60 -8.505 -2.737 -7.384 1.00 0.00 O ATOM 861 CB TRP A 60 -9.460 -5.744 -6.709 1.00 0.00 C ATOM 862 CG TRP A 60 -10.198 -6.789 -5.870 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.487 -6.794 -5.505 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.634 -7.990 -5.303 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.794 -7.905 -4.747 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.631 -8.655 -4.620 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.324 -8.498 -5.364 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.423 -9.866 -3.947 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.133 -9.708 -4.686 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.126 -10.390 -3.995 1.00 0.00 C ATOM 0 H TRP A 60 -10.869 -3.913 -5.737 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.277 -5.043 -5.119 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -10.144 -5.347 -7.459 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.647 -6.232 -7.246 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.197 -6.025 -5.771 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.706 -8.134 -4.353 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.528 -7.994 -5.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.220 -10.368 -3.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.144 -10.141 -4.701 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -8.898 -11.321 -3.497 1.00 0.00 H new ATOM 880 N VAL A 61 -6.708 -3.905 -6.662 1.00 0.00 N ATOM 881 CA VAL A 61 -5.749 -3.098 -7.399 1.00 0.00 C ATOM 882 C VAL A 61 -4.627 -3.998 -7.922 1.00 0.00 C ATOM 883 O VAL A 61 -4.520 -5.157 -7.525 1.00 0.00 O ATOM 884 CB VAL A 61 -5.238 -1.957 -6.518 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.400 -1.199 -5.874 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.267 -2.477 -5.455 1.00 0.00 C ATOM 0 H VAL A 61 -6.298 -4.661 -6.113 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.225 -2.635 -8.264 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.695 -1.259 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.009 -0.393 -5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.037 -0.780 -6.653 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.983 -1.883 -5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.919 -1.645 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.775 -3.205 -4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.415 -2.951 -5.942 1.00 0.00 H new ATOM 896 N THR A 62 -3.819 -3.430 -8.805 1.00 0.00 N ATOM 897 CA THR A 62 -2.710 -4.166 -9.386 1.00 0.00 C ATOM 898 C THR A 62 -1.416 -3.870 -8.625 1.00 0.00 C ATOM 899 O THR A 62 -1.454 -3.433 -7.475 1.00 0.00 O ATOM 900 CB THR A 62 -2.634 -3.812 -10.872 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.121 -2.482 -10.887 1.00 0.00 O ATOM 902 CG2 THR A 62 -4.017 -3.685 -11.515 1.00 0.00 C ATOM 0 H THR A 62 -3.911 -2.468 -9.132 1.00 0.00 H new ATOM 0 HA THR A 62 -2.862 -5.242 -9.300 1.00 0.00 H new ATOM 0 HB THR A 62 -2.058 -4.574 -11.397 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.038 -2.174 -11.814 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.906 -3.433 -12.570 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.550 -4.631 -11.422 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.582 -2.900 -11.012 1.00 0.00 H new ATOM 910 N HIS A 63 -0.302 -4.120 -9.297 1.00 0.00 N ATOM 911 CA HIS A 63 1.001 -3.885 -8.697 1.00 0.00 C ATOM 912 C HIS A 63 1.567 -2.557 -9.202 1.00 0.00 C ATOM 913 O HIS A 63 2.561 -2.061 -8.675 1.00 0.00 O ATOM 914 CB HIS A 63 1.940 -5.066 -8.958 1.00 0.00 C ATOM 915 CG HIS A 63 3.392 -4.773 -8.666 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.430 -5.354 -9.372 1.00 0.00 N ATOM 917 CD2 HIS A 63 3.967 -3.954 -7.738 1.00 0.00 C ATOM 918 CE1 HIS A 63 5.574 -4.899 -8.882 1.00 0.00 C ATOM 919 NE2 HIS A 63 5.285 -4.032 -7.870 1.00 0.00 N ATOM 0 H HIS A 63 -0.274 -4.483 -10.250 1.00 0.00 H new ATOM 0 HA HIS A 63 0.898 -3.808 -7.615 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.621 -5.912 -8.349 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.844 -5.370 -10.000 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.439 -3.346 -7.018 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.562 -5.168 -9.224 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.969 -3.527 -7.307 1.00 0.00 H new ATOM 926 N GLU A 64 0.909 -2.017 -10.218 1.00 0.00 N ATOM 927 CA GLU A 64 1.333 -0.756 -10.800 1.00 0.00 C ATOM 928 C GLU A 64 1.068 0.393 -9.827 1.00 0.00 C ATOM 929 O GLU A 64 1.831 1.358 -9.776 1.00 0.00 O ATOM 930 CB GLU A 64 0.639 -0.510 -12.141 1.00 0.00 C ATOM 931 CG GLU A 64 1.423 0.495 -12.988 1.00 0.00 C ATOM 932 CD GLU A 64 1.016 0.407 -14.460 1.00 0.00 C ATOM 933 OE1 GLU A 64 1.557 -0.486 -15.147 1.00 0.00 O ATOM 934 OE2 GLU A 64 0.172 1.237 -14.866 1.00 0.00 O ATOM 0 H GLU A 64 0.084 -2.431 -10.653 1.00 0.00 H new ATOM 0 HA GLU A 64 2.406 -0.807 -10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.543 -1.451 -12.683 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.371 -0.137 -11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.245 1.505 -12.618 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.491 0.303 -12.890 1.00 0.00 H new ATOM 939 N ARG A 65 -0.016 0.254 -9.077 1.00 0.00 N ATOM 940 CA ARG A 65 -0.391 1.269 -8.108 1.00 0.00 C ATOM 941 C ARG A 65 0.347 1.039 -6.787 1.00 0.00 C ATOM 942 O ARG A 65 0.587 1.983 -6.034 1.00 0.00 O ATOM 943 CB ARG A 65 -1.899 1.255 -7.850 1.00 0.00 C ATOM 944 CG ARG A 65 -2.678 1.465 -9.151 1.00 0.00 C ATOM 945 CD ARG A 65 -3.989 0.675 -9.139 1.00 0.00 C ATOM 946 NE ARG A 65 -5.030 1.410 -9.890 1.00 0.00 N ATOM 947 CZ ARG A 65 -6.105 0.833 -10.443 1.00 0.00 C ATOM 948 NH1 ARG A 65 -6.287 -0.491 -10.333 1.00 0.00 N ATOM 949 NH2 ARG A 65 -6.999 1.579 -11.107 1.00 0.00 N ATOM 0 H ARG A 65 -0.646 -0.547 -9.121 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.114 2.239 -8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.186 0.305 -7.399 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.157 2.038 -7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.890 2.526 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.068 1.152 -9.999 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.835 -0.308 -9.583 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.316 0.513 -8.112 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.923 2.419 -9.993 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.607 -1.059 -9.828 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.106 -0.930 -10.754 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.861 2.586 -11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.818 1.140 -11.528 1.00 0.00 H new ATOM 960 N LEU A 66 0.685 -0.218 -6.545 1.00 0.00 N ATOM 961 CA LEU A 66 1.390 -0.583 -5.328 1.00 0.00 C ATOM 962 C LEU A 66 2.778 0.060 -5.335 1.00 0.00 C ATOM 963 O LEU A 66 3.629 -0.302 -6.147 1.00 0.00 O ATOM 964 CB LEU A 66 1.418 -2.103 -5.161 1.00 0.00 C ATOM 965 CG LEU A 66 0.061 -2.780 -4.954 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.175 -4.298 -5.115 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.546 -2.392 -3.605 1.00 0.00 C ATOM 0 H LEU A 66 0.484 -0.998 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 66 0.865 -0.199 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.887 -2.537 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.055 -2.344 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.619 -2.424 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.803 -4.754 -4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.533 -4.532 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.877 -4.690 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.510 -2.887 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.124 -2.700 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.686 -1.312 -3.566 1.00 0.00 H new ATOM 978 N ASP A 67 2.963 1.003 -4.423 1.00 0.00 N ATOM 979 CA ASP A 67 4.233 1.699 -4.314 1.00 0.00 C ATOM 980 C ASP A 67 5.043 1.098 -3.165 1.00 0.00 C ATOM 981 O ASP A 67 5.180 1.714 -2.108 1.00 0.00 O ATOM 982 CB ASP A 67 4.023 3.185 -4.018 1.00 0.00 C ATOM 983 CG ASP A 67 5.102 4.116 -4.574 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.202 3.598 -4.868 1.00 0.00 O ATOM 985 OD2 ASP A 67 4.804 5.323 -4.694 1.00 0.00 O ATOM 0 H ASP A 67 2.254 1.301 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 67 4.759 1.591 -5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.058 3.488 -4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.970 3.320 -2.938 1.00 0.00 H new ATOM 989 N LEU A 68 5.560 -0.097 -3.409 1.00 0.00 N ATOM 990 CA LEU A 68 6.353 -0.789 -2.406 1.00 0.00 C ATOM 991 C LEU A 68 7.450 0.148 -1.894 1.00 0.00 C ATOM 992 O LEU A 68 7.982 -0.052 -0.804 1.00 0.00 O ATOM 993 CB LEU A 68 6.884 -2.112 -2.962 1.00 0.00 C ATOM 994 CG LEU A 68 5.921 -2.900 -3.852 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.378 -4.351 -4.004 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.486 -2.803 -3.328 1.00 0.00 C ATOM 0 H LEU A 68 5.446 -0.604 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 68 5.735 -1.056 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.789 -1.906 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.173 -2.746 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 68 5.932 -2.453 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.676 -4.889 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.370 -4.375 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.415 -4.826 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.822 -3.372 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.439 -3.209 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.174 -1.759 -3.314 1.00 0.00 H new ATOM 1007 N LYS A 69 7.754 1.149 -2.707 1.00 0.00 N ATOM 1008 CA LYS A 69 8.779 2.116 -2.351 1.00 0.00 C ATOM 1009 C LYS A 69 8.305 2.934 -1.147 1.00 0.00 C ATOM 1010 O LYS A 69 9.079 3.689 -0.562 1.00 0.00 O ATOM 1011 CB LYS A 69 9.155 2.970 -3.563 1.00 0.00 C ATOM 1012 CG LYS A 69 9.537 2.090 -4.755 1.00 0.00 C ATOM 1013 CD LYS A 69 10.882 2.522 -5.345 1.00 0.00 C ATOM 1014 CE LYS A 69 10.899 2.335 -6.864 1.00 0.00 C ATOM 1015 NZ LYS A 69 12.188 1.754 -7.300 1.00 0.00 N ATOM 0 H LYS A 69 7.309 1.311 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 69 9.695 1.607 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.317 3.612 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.988 3.624 -3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.592 1.048 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.763 2.152 -5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.071 3.567 -5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.685 1.939 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.079 1.683 -7.165 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.741 3.295 -7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.183 1.634 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.965 2.390 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.324 0.829 -6.844 1.00 0.00 H new ATOM 1025 N LYS A 70 7.036 2.754 -0.813 1.00 0.00 N ATOM 1026 CA LYS A 70 6.450 3.465 0.310 1.00 0.00 C ATOM 1027 C LYS A 70 5.653 2.482 1.171 1.00 0.00 C ATOM 1028 O LYS A 70 4.766 2.887 1.921 1.00 0.00 O ATOM 1029 CB LYS A 70 5.628 4.659 -0.180 1.00 0.00 C ATOM 1030 CG LYS A 70 6.513 5.668 -0.916 1.00 0.00 C ATOM 1031 CD LYS A 70 6.139 7.103 -0.540 1.00 0.00 C ATOM 1032 CE LYS A 70 7.039 8.110 -1.258 1.00 0.00 C ATOM 1033 NZ LYS A 70 6.227 9.045 -2.069 1.00 0.00 N ATOM 0 H LYS A 70 6.397 2.126 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 70 7.231 3.885 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.836 4.312 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.144 5.144 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.559 5.485 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.409 5.531 -1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.097 7.291 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.227 7.235 0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.626 8.668 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.746 7.583 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.854 9.722 -2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.686 8.510 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.570 9.561 -1.450 1.00 0.00 H new ATOM 1043 N ILE A 71 5.996 1.211 1.033 1.00 0.00 N ATOM 1044 CA ILE A 71 5.323 0.167 1.788 1.00 0.00 C ATOM 1045 C ILE A 71 5.615 0.354 3.278 1.00 0.00 C ATOM 1046 O ILE A 71 6.500 1.123 3.650 1.00 0.00 O ATOM 1047 CB ILE A 71 5.710 -1.214 1.254 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.466 -2.040 0.920 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.635 -1.940 2.233 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.833 -3.503 0.662 1.00 0.00 C ATOM 0 H ILE A 71 6.732 0.879 0.409 1.00 0.00 H new ATOM 0 HA ILE A 71 4.243 0.241 1.662 1.00 0.00 H new ATOM 0 HB ILE A 71 6.266 -1.079 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.753 -1.980 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.974 -1.624 0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.895 -2.919 1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.543 -1.354 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.127 -2.065 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.931 -4.068 0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.527 -3.562 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.303 -3.923 1.552 1.00 0.00 H new ATOM 1061 N GLN A 72 4.853 -0.363 4.091 1.00 0.00 N ATOM 1062 CA GLN A 72 5.018 -0.285 5.533 1.00 0.00 C ATOM 1063 C GLN A 72 4.536 -1.579 6.193 1.00 0.00 C ATOM 1064 O GLN A 72 3.599 -1.563 6.989 1.00 0.00 O ATOM 1065 CB GLN A 72 4.282 0.929 6.105 1.00 0.00 C ATOM 1066 CG GLN A 72 4.921 2.234 5.625 1.00 0.00 C ATOM 1067 CD GLN A 72 4.254 3.444 6.281 1.00 0.00 C ATOM 1068 OE1 GLN A 72 4.810 4.097 7.149 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.035 3.707 5.820 1.00 0.00 N ATOM 0 H GLN A 72 4.120 -1.000 3.779 1.00 0.00 H new ATOM 0 HA GLN A 72 6.079 -0.161 5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.235 0.900 5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.300 0.890 7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.986 2.230 5.859 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.833 2.309 4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.628 3.120 5.092 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.507 4.495 6.194 1.00 0.00 H new ATOM 1076 N PHE A 73 5.199 -2.669 5.836 1.00 0.00 N ATOM 1077 CA PHE A 73 4.850 -3.970 6.384 1.00 0.00 C ATOM 1078 C PHE A 73 4.429 -3.853 7.850 1.00 0.00 C ATOM 1079 O PHE A 73 4.864 -2.942 8.553 1.00 0.00 O ATOM 1080 CB PHE A 73 6.102 -4.844 6.293 1.00 0.00 C ATOM 1081 CG PHE A 73 6.305 -5.501 4.926 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.852 -4.789 3.903 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.938 -6.796 4.733 1.00 0.00 C ATOM 1084 CE1 PHE A 73 7.040 -5.400 2.635 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.126 -7.406 3.465 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.673 -6.695 2.442 1.00 0.00 C ATOM 0 H PHE A 73 5.975 -2.679 5.175 1.00 0.00 H new ATOM 0 HA PHE A 73 4.015 -4.396 5.828 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.975 -4.235 6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.045 -5.622 7.054 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.143 -3.760 4.056 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.503 -7.361 5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.475 -4.836 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.835 -8.435 3.312 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.816 -7.159 1.477 1.00 0.00 H new ATOM 1095 N PRO A 74 3.567 -4.812 8.279 1.00 0.00 N ATOM 1096 CA PRO A 74 3.083 -4.825 9.649 1.00 0.00 C ATOM 1097 C PRO A 74 4.166 -5.322 10.608 1.00 0.00 C ATOM 1098 O PRO A 74 4.995 -6.152 10.238 1.00 0.00 O ATOM 1099 CB PRO A 74 1.855 -5.722 9.624 1.00 0.00 C ATOM 1100 CG PRO A 74 1.966 -6.545 8.350 1.00 0.00 C ATOM 1101 CD PRO A 74 3.031 -5.906 7.474 1.00 0.00 C ATOM 0 HA PRO A 74 2.826 -3.830 10.014 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.823 -6.366 10.503 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.939 -5.131 9.629 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.232 -7.576 8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.009 -6.573 7.829 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.809 -6.622 7.211 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.607 -5.539 6.539 1.00 0.00 H new ATOM 1106 N LYS A 75 4.125 -4.792 11.822 1.00 0.00 N ATOM 1107 CA LYS A 75 5.093 -5.170 12.837 1.00 0.00 C ATOM 1108 C LYS A 75 6.471 -5.317 12.191 1.00 0.00 C ATOM 1109 O LYS A 75 7.047 -6.404 12.187 1.00 0.00 O ATOM 1110 CB LYS A 75 4.626 -6.423 13.581 1.00 0.00 C ATOM 1111 CG LYS A 75 5.678 -6.883 14.593 1.00 0.00 C ATOM 1112 CD LYS A 75 5.063 -7.821 15.635 1.00 0.00 C ATOM 1113 CE LYS A 75 6.041 -8.083 16.782 1.00 0.00 C ATOM 1114 NZ LYS A 75 6.658 -9.420 16.642 1.00 0.00 N ATOM 0 H LYS A 75 3.436 -4.104 12.125 1.00 0.00 H new ATOM 0 HA LYS A 75 5.177 -4.390 13.594 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.687 -6.217 14.095 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.429 -7.222 12.867 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.489 -7.393 14.073 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.113 -6.016 15.090 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.146 -7.383 16.028 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.789 -8.765 15.163 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.817 -7.317 16.789 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.518 -8.015 17.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.319 -9.581 17.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.916 -10.148 16.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.174 -9.472 15.740 1.00 0.00 H new ATOM 1124 N LYS A 76 6.963 -4.206 11.661 1.00 0.00 N ATOM 1125 CA LYS A 76 8.263 -4.196 11.014 1.00 0.00 C ATOM 1126 C LYS A 76 8.901 -2.816 11.182 1.00 0.00 C ATOM 1127 O LYS A 76 8.213 -1.798 11.120 1.00 0.00 O ATOM 1128 CB LYS A 76 8.140 -4.644 9.557 1.00 0.00 C ATOM 1129 CG LYS A 76 9.472 -5.192 9.037 1.00 0.00 C ATOM 1130 CD LYS A 76 9.499 -6.720 9.103 1.00 0.00 C ATOM 1131 CE LYS A 76 8.887 -7.334 7.842 1.00 0.00 C ATOM 1132 NZ LYS A 76 9.708 -7.006 6.654 1.00 0.00 N ATOM 0 H LYS A 76 6.483 -3.306 11.667 1.00 0.00 H new ATOM 0 HA LYS A 76 8.930 -4.916 11.489 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.370 -5.410 9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.823 -3.803 8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.627 -4.866 8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.292 -4.784 9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.527 -7.065 9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.949 -7.059 9.981 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.816 -8.416 7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.872 -6.961 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.586 -7.745 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.406 -6.090 6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.710 -6.952 6.928 1.00 0.00 H new ATOM 1142 N GLU A 77 10.209 -2.825 11.391 1.00 0.00 N ATOM 1143 CA GLU A 77 10.948 -1.587 11.568 1.00 0.00 C ATOM 1144 C GLU A 77 12.436 -1.812 11.290 1.00 0.00 C ATOM 1145 O GLU A 77 13.165 -2.303 12.150 1.00 0.00 O ATOM 1146 CB GLU A 77 10.733 -1.015 12.970 1.00 0.00 C ATOM 1147 CG GLU A 77 10.508 0.498 12.917 1.00 0.00 C ATOM 1148 CD GLU A 77 9.356 0.913 13.834 1.00 0.00 C ATOM 1149 OE1 GLU A 77 9.364 0.457 14.998 1.00 0.00 O ATOM 1150 OE2 GLU A 77 8.494 1.678 13.351 1.00 0.00 O ATOM 0 H GLU A 77 10.777 -3.671 11.442 1.00 0.00 H new ATOM 0 HA GLU A 77 10.571 -0.857 10.852 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.874 -1.498 13.436 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.599 -1.236 13.593 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.420 1.016 13.215 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.290 0.801 11.893 1.00 0.00 H new ATOM 1155 N ALA A 78 12.843 -1.440 10.085 1.00 0.00 N ATOM 1156 CA ALA A 78 14.231 -1.595 9.684 1.00 0.00 C ATOM 1157 C ALA A 78 14.903 -0.220 9.646 1.00 0.00 C ATOM 1158 O ALA A 78 15.215 0.293 8.573 1.00 0.00 O ATOM 1159 CB ALA A 78 14.295 -2.312 8.334 1.00 0.00 C ATOM 0 H ALA A 78 12.236 -1.032 9.374 1.00 0.00 H new ATOM 0 HA ALA A 78 14.773 -2.207 10.405 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.336 -2.428 8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.830 -3.294 8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.764 -1.725 7.585 1.00 0.00 H new ATOM 1165 N LYS A 79 15.107 0.335 10.831 1.00 0.00 N ATOM 1166 CA LYS A 79 15.737 1.639 10.948 1.00 0.00 C ATOM 1167 C LYS A 79 15.949 1.968 12.427 1.00 0.00 C ATOM 1168 O LYS A 79 15.575 1.187 13.301 1.00 0.00 O ATOM 1169 CB LYS A 79 14.925 2.695 10.194 1.00 0.00 C ATOM 1170 CG LYS A 79 15.744 3.303 9.053 1.00 0.00 C ATOM 1171 CD LYS A 79 14.856 3.616 7.847 1.00 0.00 C ATOM 1172 CE LYS A 79 15.010 5.076 7.416 1.00 0.00 C ATOM 1173 NZ LYS A 79 13.741 5.585 6.849 1.00 0.00 N ATOM 0 H LYS A 79 14.847 -0.094 11.719 1.00 0.00 H new ATOM 0 HA LYS A 79 16.721 1.630 10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.017 2.244 9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.615 3.481 10.883 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.232 4.215 9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.533 2.611 8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.118 2.959 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.814 3.415 8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.303 5.685 8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.806 5.161 6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.862 6.577 6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.477 5.014 6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.990 5.522 7.566 1.00 0.00 H new ATOM 1183 N THR A 80 16.548 3.126 12.663 1.00 0.00 N ATOM 1184 CA THR A 80 16.814 3.568 14.021 1.00 0.00 C ATOM 1185 C THR A 80 15.515 3.628 14.827 1.00 0.00 C ATOM 1186 O THR A 80 14.430 3.729 14.256 1.00 0.00 O ATOM 1187 CB THR A 80 17.546 4.910 13.947 1.00 0.00 C ATOM 1188 OG1 THR A 80 16.892 5.603 12.889 1.00 0.00 O ATOM 1189 CG2 THR A 80 18.989 4.763 13.462 1.00 0.00 C ATOM 0 H THR A 80 16.857 3.772 11.936 1.00 0.00 H new ATOM 0 HA THR A 80 17.454 2.861 14.548 1.00 0.00 H new ATOM 0 HB THR A 80 17.540 5.382 14.929 1.00 0.00 H new ATOM 0 HG1 THR A 80 17.302 6.485 12.773 1.00 0.00 H new ATOM 0 HG21 THR A 80 19.463 5.744 13.428 1.00 0.00 H new ATOM 0 HG22 THR A 80 19.539 4.118 14.147 1.00 0.00 H new ATOM 0 HG23 THR A 80 18.995 4.322 12.465 1.00 0.00 H new ATOM 1197 N PRO A 81 15.672 3.561 16.176 1.00 0.00 N ATOM 1198 CA PRO A 81 14.524 3.606 17.066 1.00 0.00 C ATOM 1199 C PRO A 81 13.965 5.027 17.167 1.00 0.00 C ATOM 1200 O PRO A 81 14.690 5.962 17.502 1.00 0.00 O ATOM 1201 CB PRO A 81 15.035 3.074 18.394 1.00 0.00 C ATOM 1202 CG PRO A 81 16.550 3.186 18.334 1.00 0.00 C ATOM 1203 CD PRO A 81 16.940 3.440 16.887 1.00 0.00 C ATOM 0 HA PRO A 81 13.689 3.005 16.706 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.634 3.652 19.226 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.726 2.040 18.545 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.899 3.998 18.972 1.00 0.00 H new ATOM 0 HG3 PRO A 81 17.016 2.271 18.700 1.00 0.00 H new ATOM 0 HD2 PRO A 81 17.536 4.348 16.791 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.540 2.622 16.489 1.00 0.00 H new ATOM 1208 N SER A 82 12.678 5.146 16.870 1.00 0.00 N ATOM 1209 CA SER A 82 12.014 6.435 16.922 1.00 0.00 C ATOM 1210 C SER A 82 10.757 6.341 17.790 1.00 0.00 C ATOM 1211 O SER A 82 10.650 7.018 18.811 1.00 0.00 O ATOM 1212 CB SER A 82 11.655 6.929 15.519 1.00 0.00 C ATOM 1213 OG SER A 82 10.902 5.962 14.791 1.00 0.00 O ATOM 0 H SER A 82 12.079 4.369 16.592 1.00 0.00 H new ATOM 0 HA SER A 82 12.702 7.155 17.365 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.082 7.853 15.595 1.00 0.00 H new ATOM 0 HB3 SER A 82 12.568 7.164 14.972 1.00 0.00 H new ATOM 0 HG SER A 82 10.690 6.314 13.901 1.00 0.00 H new ATOM 1218 N GLY A 83 9.835 5.497 17.350 1.00 0.00 N ATOM 1219 CA GLY A 83 8.589 5.305 18.074 1.00 0.00 C ATOM 1220 C GLY A 83 7.438 5.005 17.112 1.00 0.00 C ATOM 1221 O GLY A 83 6.921 5.908 16.455 1.00 0.00 O ATOM 0 H GLY A 83 9.926 4.938 16.501 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.699 4.484 18.783 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.360 6.199 18.654 1.00 0.00 H new ATOM 1225 N PRO A 84 7.059 3.701 17.057 1.00 0.00 N ATOM 1226 CA PRO A 84 5.978 3.271 16.187 1.00 0.00 C ATOM 1227 C PRO A 84 4.619 3.677 16.760 1.00 0.00 C ATOM 1228 O PRO A 84 4.543 4.228 17.857 1.00 0.00 O ATOM 1229 CB PRO A 84 6.146 1.765 16.067 1.00 0.00 C ATOM 1230 CG PRO A 84 7.023 1.348 17.236 1.00 0.00 C ATOM 1231 CD PRO A 84 7.647 2.604 17.821 1.00 0.00 C ATOM 0 HA PRO A 84 6.015 3.742 15.205 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.181 1.260 16.104 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.609 1.498 15.117 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.432 0.828 17.990 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.797 0.656 16.905 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.425 2.698 18.884 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.732 2.590 17.722 1.00 0.00 H new ATOM 1236 N SER A 85 3.579 3.390 15.990 1.00 0.00 N ATOM 1237 CA SER A 85 2.226 3.719 16.407 1.00 0.00 C ATOM 1238 C SER A 85 1.309 2.510 16.210 1.00 0.00 C ATOM 1239 O SER A 85 0.868 2.237 15.095 1.00 0.00 O ATOM 1240 CB SER A 85 1.689 4.924 15.634 1.00 0.00 C ATOM 1241 OG SER A 85 1.313 5.991 16.501 1.00 0.00 O ATOM 0 H SER A 85 3.646 2.934 15.080 1.00 0.00 H new ATOM 0 HA SER A 85 2.249 3.981 17.465 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.449 5.275 14.936 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.827 4.619 15.040 1.00 0.00 H new ATOM 0 HG SER A 85 0.977 6.742 15.969 1.00 0.00 H new ATOM 1246 N SER A 86 1.049 1.818 17.310 1.00 0.00 N ATOM 1247 CA SER A 86 0.193 0.645 17.270 1.00 0.00 C ATOM 1248 C SER A 86 0.718 -0.352 16.236 1.00 0.00 C ATOM 1249 O SER A 86 1.598 -0.023 15.442 1.00 0.00 O ATOM 1250 CB SER A 86 -1.254 1.029 16.951 1.00 0.00 C ATOM 1251 OG SER A 86 -1.475 1.156 15.549 1.00 0.00 O ATOM 0 H SER A 86 1.416 2.047 18.234 1.00 0.00 H new ATOM 0 HA SER A 86 0.208 0.178 18.255 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.928 0.275 17.357 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.496 1.971 17.443 1.00 0.00 H new ATOM 0 HG SER A 86 -0.831 1.791 15.173 1.00 0.00 H new ATOM 1256 N GLY A 87 0.157 -1.552 16.279 1.00 0.00 N ATOM 1257 CA GLY A 87 0.558 -2.600 15.355 1.00 0.00 C ATOM 1258 C GLY A 87 -0.424 -2.703 14.186 1.00 0.00 C ATOM 1259 O GLY A 87 -1.629 -2.539 14.366 1.00 0.00 O ATOM 0 H GLY A 87 -0.572 -1.822 16.939 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.559 -2.393 14.977 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.606 -3.554 15.880 1.00 0.00 H new TER 1263 GLY A 87