USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 897 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 10 TYR OH : rot 63:sc= 1.17 USER MOD Set 1.2: A 101 GLN : amide:sc= 0.949 K(o=2.1,f=-0.47) USER MOD Set 2.1: A 36 HIS : no HE2:sc= -5.39! C(o=-9.5!,f=-11!) USER MOD Set 2.2: A 109 CYS SG : rot 25:sc= -4.15! USER MOD Set 3.1: A 15 TYR OH : rot 180:sc= -0.292 USER MOD Set 3.2: A 94 GLN : amide:sc= -3.5! C(o=-3.8!,f=-1.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 56:sc= 0.0272 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.678 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0543 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.46) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 41 TYR OH : rot 180:sc=-0.00822 USER MOD Single : A 43 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.18) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 24:sc= 0.233 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00883 USER MOD Single : A 67 THR OG1 : rot -150:sc= 0.102 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -149:sc= -0.118 (180deg=-0.775) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 55:sc= -0.218 USER MOD Single : A 85 THR OG1 : rot 176:sc= 0.114 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.6!) USER MOD Single : A 92 CYS SG : rot -169:sc= -1.35 USER MOD Single : A 98 SER OG : rot -170:sc= -1.3 USER MOD Single : A 100 GLN : amide:sc= -0.0228 K(o=-0.023,f=-0.62) USER MOD Single : A 107 GLN : amide:sc= -2.42! C(o=-2.4!,f=-4.6!) USER MOD Single : A 108 SER OG : rot -24:sc= 0.461 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.739 -9.090 -8.384 1.00 0.00 N ATOM 2 CA GLY A 1 -16.838 -9.862 -9.222 1.00 0.00 C ATOM 3 C GLY A 1 -15.752 -8.970 -9.828 1.00 0.00 C ATOM 4 O GLY A 1 -15.929 -8.423 -10.916 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.466 -9.718 -7.985 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.201 -8.648 -7.611 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.196 -8.350 -8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.376 -10.654 -8.632 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.402 -10.346 -10.019 1.00 0.00 H new ATOM 8 N SER A 2 -14.653 -8.851 -9.098 1.00 0.00 N ATOM 9 CA SER A 2 -13.539 -8.035 -9.549 1.00 0.00 C ATOM 10 C SER A 2 -12.656 -8.838 -10.507 1.00 0.00 C ATOM 11 O SER A 2 -12.366 -10.006 -10.256 1.00 0.00 O ATOM 12 CB SER A 2 -12.714 -7.527 -8.366 1.00 0.00 C ATOM 13 OG SER A 2 -12.660 -6.103 -8.324 1.00 0.00 O ATOM 0 H SER A 2 -14.510 -9.306 -8.197 1.00 0.00 H new ATOM 0 HA SER A 2 -13.940 -7.169 -10.075 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.144 -7.901 -7.437 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.702 -7.926 -8.432 1.00 0.00 H new ATOM 0 HG SER A 2 -12.126 -5.818 -7.553 1.00 0.00 H new ATOM 19 N SER A 3 -12.255 -8.179 -11.584 1.00 0.00 N ATOM 20 CA SER A 3 -11.411 -8.817 -12.580 1.00 0.00 C ATOM 21 C SER A 3 -9.937 -8.608 -12.228 1.00 0.00 C ATOM 22 O SER A 3 -9.529 -7.500 -11.881 1.00 0.00 O ATOM 23 CB SER A 3 -11.705 -8.275 -13.980 1.00 0.00 C ATOM 24 OG SER A 3 -11.278 -6.924 -14.130 1.00 0.00 O ATOM 0 H SER A 3 -12.499 -7.210 -11.789 1.00 0.00 H new ATOM 0 HA SER A 3 -11.630 -9.885 -12.580 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.205 -8.898 -14.722 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.775 -8.341 -14.177 1.00 0.00 H new ATOM 0 HG SER A 3 -11.482 -6.615 -15.038 1.00 0.00 H new ATOM 30 N GLY A 4 -9.178 -9.689 -12.331 1.00 0.00 N ATOM 31 CA GLY A 4 -7.758 -9.637 -12.028 1.00 0.00 C ATOM 32 C GLY A 4 -7.120 -11.023 -12.151 1.00 0.00 C ATOM 33 O GLY A 4 -7.249 -11.851 -11.250 1.00 0.00 O ATOM 0 H GLY A 4 -9.519 -10.606 -12.620 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.263 -8.943 -12.707 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.612 -9.254 -11.018 1.00 0.00 H new ATOM 37 N SER A 5 -6.447 -11.233 -13.272 1.00 0.00 N ATOM 38 CA SER A 5 -5.789 -12.504 -13.524 1.00 0.00 C ATOM 39 C SER A 5 -4.351 -12.266 -13.989 1.00 0.00 C ATOM 40 O SER A 5 -4.027 -12.488 -15.155 1.00 0.00 O ATOM 41 CB SER A 5 -6.555 -13.323 -14.564 1.00 0.00 C ATOM 42 OG SER A 5 -6.920 -12.540 -15.697 1.00 0.00 O ATOM 0 H SER A 5 -6.343 -10.544 -14.017 1.00 0.00 H new ATOM 0 HA SER A 5 -5.773 -13.072 -12.594 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.941 -14.164 -14.887 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.452 -13.740 -14.107 1.00 0.00 H new ATOM 0 HG SER A 5 -6.119 -12.127 -16.081 1.00 0.00 H new ATOM 48 N SER A 6 -3.527 -11.817 -13.054 1.00 0.00 N ATOM 49 CA SER A 6 -2.131 -11.547 -13.353 1.00 0.00 C ATOM 50 C SER A 6 -2.026 -10.422 -14.386 1.00 0.00 C ATOM 51 O SER A 6 -2.490 -10.566 -15.516 1.00 0.00 O ATOM 52 CB SER A 6 -1.424 -12.804 -13.864 1.00 0.00 C ATOM 53 OG SER A 6 -1.479 -13.868 -12.919 1.00 0.00 O ATOM 0 H SER A 6 -3.799 -11.633 -12.088 1.00 0.00 H new ATOM 0 HA SER A 6 -1.638 -11.235 -12.432 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.885 -13.125 -14.798 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.383 -12.570 -14.086 1.00 0.00 H new ATOM 0 HG SER A 6 -1.018 -14.653 -13.283 1.00 0.00 H new ATOM 59 N GLY A 7 -1.413 -9.327 -13.960 1.00 0.00 N ATOM 60 CA GLY A 7 -1.241 -8.179 -14.833 1.00 0.00 C ATOM 61 C GLY A 7 -0.486 -7.055 -14.119 1.00 0.00 C ATOM 62 O GLY A 7 0.711 -6.871 -14.336 1.00 0.00 O ATOM 0 H GLY A 7 -1.030 -9.211 -13.022 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.695 -8.477 -15.728 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.216 -7.817 -15.160 1.00 0.00 H new ATOM 66 N ARG A 8 -1.217 -6.333 -13.283 1.00 0.00 N ATOM 67 CA ARG A 8 -0.632 -5.233 -12.536 1.00 0.00 C ATOM 68 C ARG A 8 -1.460 -4.943 -11.282 1.00 0.00 C ATOM 69 O ARG A 8 -2.632 -5.308 -11.210 1.00 0.00 O ATOM 70 CB ARG A 8 -0.553 -3.967 -13.391 1.00 0.00 C ATOM 71 CG ARG A 8 0.864 -3.753 -13.925 1.00 0.00 C ATOM 72 CD ARG A 8 0.941 -4.067 -15.420 1.00 0.00 C ATOM 73 NE ARG A 8 1.974 -3.225 -16.063 1.00 0.00 N ATOM 74 CZ ARG A 8 2.484 -3.459 -17.280 1.00 0.00 C ATOM 75 NH1 ARG A 8 2.060 -4.511 -17.993 1.00 0.00 N ATOM 76 NH2 ARG A 8 3.418 -2.641 -17.783 1.00 0.00 N ATOM 0 H ARG A 8 -2.210 -6.488 -13.106 1.00 0.00 H new ATOM 0 HA ARG A 8 0.378 -5.527 -12.249 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.252 -4.043 -14.224 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.856 -3.104 -12.798 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.170 -2.722 -13.750 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.562 -4.389 -13.380 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.177 -5.121 -15.567 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.027 -3.889 -15.887 1.00 0.00 H new ATOM 0 HE ARG A 8 2.320 -2.416 -15.548 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.349 -5.134 -17.610 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.448 -4.689 -18.919 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.741 -1.840 -17.240 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.806 -2.819 -18.709 1.00 0.00 H new ATOM 90 N SER A 9 -0.817 -4.289 -10.326 1.00 0.00 N ATOM 91 CA SER A 9 -1.479 -3.946 -9.079 1.00 0.00 C ATOM 92 C SER A 9 -2.551 -2.883 -9.331 1.00 0.00 C ATOM 93 O SER A 9 -3.101 -2.799 -10.428 1.00 0.00 O ATOM 94 CB SER A 9 -0.473 -3.448 -8.039 1.00 0.00 C ATOM 95 OG SER A 9 -0.289 -2.037 -8.107 1.00 0.00 O ATOM 0 H SER A 9 0.155 -3.988 -10.390 1.00 0.00 H new ATOM 0 HA SER A 9 -1.952 -4.845 -8.685 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.818 -3.721 -7.042 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.484 -3.946 -8.193 1.00 0.00 H new ATOM 0 HG SER A 9 0.359 -1.758 -7.426 1.00 0.00 H new ATOM 101 N TYR A 10 -2.816 -2.099 -8.296 1.00 0.00 N ATOM 102 CA TYR A 10 -3.812 -1.045 -8.392 1.00 0.00 C ATOM 103 C TYR A 10 -3.164 0.335 -8.264 1.00 0.00 C ATOM 104 O TYR A 10 -1.983 0.443 -7.939 1.00 0.00 O ATOM 105 CB TYR A 10 -4.766 -1.259 -7.214 1.00 0.00 C ATOM 106 CG TYR A 10 -6.046 -0.425 -7.291 1.00 0.00 C ATOM 107 CD1 TYR A 10 -6.993 -0.702 -8.256 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.254 0.605 -6.397 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.198 0.083 -8.329 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.459 1.390 -6.469 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.372 1.090 -7.432 1.00 0.00 C ATOM 112 OH TYR A 10 -9.510 1.832 -7.500 1.00 0.00 O ATOM 0 H TYR A 10 -2.359 -2.172 -7.387 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.321 -1.084 -9.355 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.035 -2.314 -7.164 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.243 -1.019 -6.288 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.830 -1.508 -8.957 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.512 0.823 -5.643 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.947 -0.123 -9.079 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.634 2.198 -5.774 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.286 1.257 -7.335 1.00 0.00 H new ATOM 122 N GLU A 11 -3.966 1.356 -8.527 1.00 0.00 N ATOM 123 CA GLU A 11 -3.486 2.725 -8.446 1.00 0.00 C ATOM 124 C GLU A 11 -4.634 3.670 -8.087 1.00 0.00 C ATOM 125 O GLU A 11 -5.750 3.225 -7.821 1.00 0.00 O ATOM 126 CB GLU A 11 -2.815 3.149 -9.754 1.00 0.00 C ATOM 127 CG GLU A 11 -3.682 2.781 -10.959 1.00 0.00 C ATOM 128 CD GLU A 11 -3.114 1.565 -11.693 1.00 0.00 C ATOM 129 OE1 GLU A 11 -1.938 1.649 -12.106 1.00 0.00 O ATOM 130 OE2 GLU A 11 -3.869 0.577 -11.823 1.00 0.00 O ATOM 0 H GLU A 11 -4.945 1.263 -8.796 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.736 2.780 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.638 4.224 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.842 2.666 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.699 2.568 -10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.740 3.628 -11.642 1.00 0.00 H new ATOM 137 N GLY A 12 -4.322 4.958 -8.091 1.00 0.00 N ATOM 138 CA GLY A 12 -5.314 5.970 -7.769 1.00 0.00 C ATOM 139 C GLY A 12 -4.699 7.093 -6.932 1.00 0.00 C ATOM 140 O GLY A 12 -3.817 6.849 -6.110 1.00 0.00 O ATOM 0 H GLY A 12 -3.396 5.324 -8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.730 6.383 -8.688 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.140 5.514 -7.222 1.00 0.00 H new ATOM 144 N ILE A 13 -5.190 8.301 -7.169 1.00 0.00 N ATOM 145 CA ILE A 13 -4.700 9.463 -6.447 1.00 0.00 C ATOM 146 C ILE A 13 -4.838 9.218 -4.943 1.00 0.00 C ATOM 147 O ILE A 13 -5.820 8.630 -4.493 1.00 0.00 O ATOM 148 CB ILE A 13 -5.406 10.731 -6.931 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.796 11.232 -8.241 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.400 11.810 -5.846 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.642 12.200 -7.974 1.00 0.00 C ATOM 0 H ILE A 13 -5.922 8.500 -7.851 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.640 9.619 -6.649 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.448 10.485 -7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.437 10.385 -8.826 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.562 11.729 -8.836 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.908 12.701 -6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.917 11.439 -4.961 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.371 12.060 -5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.226 12.541 -8.922 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.009 13.057 -7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.867 11.693 -7.400 1.00 0.00 H new ATOM 163 N LEU A 14 -3.839 9.682 -4.206 1.00 0.00 N ATOM 164 CA LEU A 14 -3.836 9.522 -2.762 1.00 0.00 C ATOM 165 C LEU A 14 -3.067 10.682 -2.126 1.00 0.00 C ATOM 166 O LEU A 14 -1.879 10.862 -2.388 1.00 0.00 O ATOM 167 CB LEU A 14 -3.296 8.142 -2.378 1.00 0.00 C ATOM 168 CG LEU A 14 -4.340 7.036 -2.212 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.693 5.741 -1.720 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.480 7.491 -1.298 1.00 0.00 C ATOM 0 H LEU A 14 -3.026 10.169 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.853 9.562 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.581 7.829 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.744 8.237 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.775 6.827 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.457 4.971 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.946 5.411 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.214 5.917 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.208 6.686 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.080 7.744 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.965 8.367 -1.729 1.00 0.00 H new ATOM 182 N TYR A 15 -3.777 11.438 -1.301 1.00 0.00 N ATOM 183 CA TYR A 15 -3.176 12.576 -0.626 1.00 0.00 C ATOM 184 C TYR A 15 -2.562 12.157 0.711 1.00 0.00 C ATOM 185 O TYR A 15 -3.091 11.282 1.395 1.00 0.00 O ATOM 186 CB TYR A 15 -4.318 13.560 -0.363 1.00 0.00 C ATOM 187 CG TYR A 15 -4.945 14.139 -1.632 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.838 13.384 -2.366 1.00 0.00 C ATOM 189 CD2 TYR A 15 -4.619 15.415 -2.044 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.429 13.928 -3.561 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.211 15.959 -3.239 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.086 15.189 -3.939 1.00 0.00 C ATOM 193 OH TYR A 15 -6.644 15.703 -5.067 1.00 0.00 O ATOM 0 H TYR A 15 -4.762 11.285 -1.085 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.382 13.009 -1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.092 13.056 0.215 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.944 14.379 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.093 12.385 -2.044 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.920 16.006 -1.470 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.129 13.348 -4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.965 16.957 -3.572 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.308 16.612 -5.213 1.00 0.00 H new ATOM 203 N LYS A 16 -1.453 12.802 1.044 1.00 0.00 N ATOM 204 CA LYS A 16 -0.760 12.507 2.287 1.00 0.00 C ATOM 205 C LYS A 16 -0.497 13.812 3.041 1.00 0.00 C ATOM 206 O LYS A 16 0.245 14.670 2.564 1.00 0.00 O ATOM 207 CB LYS A 16 0.503 11.689 2.015 1.00 0.00 C ATOM 208 CG LYS A 16 1.228 11.349 3.320 1.00 0.00 C ATOM 209 CD LYS A 16 2.415 10.419 3.061 1.00 0.00 C ATOM 210 CE LYS A 16 3.575 10.735 4.007 1.00 0.00 C ATOM 211 NZ LYS A 16 3.544 9.839 5.184 1.00 0.00 N ATOM 0 H LYS A 16 -1.017 13.528 0.475 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.382 11.885 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.240 10.770 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.170 12.250 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.577 12.266 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.534 10.874 4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.105 9.382 3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.745 10.524 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.523 10.621 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.514 11.774 4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.338 10.068 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.647 9.968 5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.624 8.851 4.870 1.00 0.00 H new ATOM 225 N LYS A 17 -1.121 13.922 4.204 1.00 0.00 N ATOM 226 CA LYS A 17 -0.964 15.109 5.029 1.00 0.00 C ATOM 227 C LYS A 17 0.526 15.362 5.271 1.00 0.00 C ATOM 228 O LYS A 17 1.224 14.508 5.815 1.00 0.00 O ATOM 229 CB LYS A 17 -1.783 14.980 6.314 1.00 0.00 C ATOM 230 CG LYS A 17 -2.355 16.335 6.738 1.00 0.00 C ATOM 231 CD LYS A 17 -3.366 16.172 7.874 1.00 0.00 C ATOM 232 CE LYS A 17 -4.150 17.467 8.100 1.00 0.00 C ATOM 233 NZ LYS A 17 -4.087 17.869 9.523 1.00 0.00 N ATOM 0 H LYS A 17 -1.737 13.209 4.595 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.357 15.986 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.596 14.270 6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.156 14.581 7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.546 16.991 7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.835 16.814 5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.056 15.361 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.847 15.892 8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.742 18.260 7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.189 17.327 7.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.624 18.749 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.497 17.118 10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.095 18.022 9.797 1.00 0.00 H new ATOM 247 N GLY A 18 0.968 16.540 4.856 1.00 0.00 N ATOM 248 CA GLY A 18 2.362 16.916 5.021 1.00 0.00 C ATOM 249 C GLY A 18 2.500 18.099 5.981 1.00 0.00 C ATOM 250 O GLY A 18 1.507 18.583 6.522 1.00 0.00 O ATOM 0 H GLY A 18 0.386 17.246 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.929 16.066 5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.789 17.177 4.053 1.00 0.00 H new ATOM 254 N ALA A 19 3.740 18.531 6.163 1.00 0.00 N ATOM 255 CA ALA A 19 4.020 19.648 7.049 1.00 0.00 C ATOM 256 C ALA A 19 3.888 20.957 6.268 1.00 0.00 C ATOM 257 O ALA A 19 3.416 20.962 5.132 1.00 0.00 O ATOM 258 CB ALA A 19 5.410 19.475 7.665 1.00 0.00 C ATOM 0 H ALA A 19 4.561 18.128 5.712 1.00 0.00 H new ATOM 0 HA ALA A 19 3.302 19.678 7.868 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.620 20.313 8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.443 18.545 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.158 19.444 6.873 1.00 0.00 H new ATOM 264 N PHE A 20 4.313 22.037 6.909 1.00 0.00 N ATOM 265 CA PHE A 20 4.248 23.349 6.289 1.00 0.00 C ATOM 266 C PHE A 20 4.525 23.260 4.787 1.00 0.00 C ATOM 267 O PHE A 20 5.678 23.157 4.370 1.00 0.00 O ATOM 268 CB PHE A 20 5.330 24.208 6.945 1.00 0.00 C ATOM 269 CG PHE A 20 5.293 24.194 8.475 1.00 0.00 C ATOM 270 CD1 PHE A 20 4.109 24.338 9.128 1.00 0.00 C ATOM 271 CD2 PHE A 20 6.445 24.039 9.182 1.00 0.00 C ATOM 272 CE1 PHE A 20 4.074 24.325 10.547 1.00 0.00 C ATOM 273 CE2 PHE A 20 6.410 24.026 10.601 1.00 0.00 C ATOM 274 CZ PHE A 20 5.226 24.170 11.254 1.00 0.00 C ATOM 0 H PHE A 20 4.703 22.029 7.851 1.00 0.00 H new ATOM 0 HA PHE A 20 3.254 23.775 6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.308 23.859 6.612 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.223 25.236 6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.195 24.462 8.567 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.386 23.926 8.664 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.133 24.438 11.065 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.324 23.902 11.162 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.200 24.161 12.334 1.00 0.00 H new ATOM 284 N MET A 21 3.449 23.303 4.015 1.00 0.00 N ATOM 285 CA MET A 21 3.562 23.229 2.568 1.00 0.00 C ATOM 286 C MET A 21 2.219 22.864 1.932 1.00 0.00 C ATOM 287 O MET A 21 1.991 21.708 1.577 1.00 0.00 O ATOM 288 CB MET A 21 4.609 22.179 2.191 1.00 0.00 C ATOM 289 CG MET A 21 5.884 22.841 1.665 1.00 0.00 C ATOM 290 SD MET A 21 7.319 22.026 2.343 1.00 0.00 S ATOM 291 CE MET A 21 8.510 23.352 2.233 1.00 0.00 C ATOM 0 H MET A 21 2.494 23.388 4.364 1.00 0.00 H new ATOM 0 HA MET A 21 3.865 24.207 2.195 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.845 21.567 3.061 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.202 21.511 1.432 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.907 22.791 0.576 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.894 23.897 1.935 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.471 23.011 2.618 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.623 23.654 1.192 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.164 24.202 2.822 1.00 0.00 H new ATOM 301 N LYS A 22 1.366 23.870 1.807 1.00 0.00 N ATOM 302 CA LYS A 22 0.053 23.669 1.220 1.00 0.00 C ATOM 303 C LYS A 22 -0.692 22.586 2.004 1.00 0.00 C ATOM 304 O LYS A 22 -0.084 21.841 2.771 1.00 0.00 O ATOM 305 CB LYS A 22 0.175 23.370 -0.276 1.00 0.00 C ATOM 306 CG LYS A 22 1.381 24.091 -0.882 1.00 0.00 C ATOM 307 CD LYS A 22 1.041 24.666 -2.259 1.00 0.00 C ATOM 308 CE LYS A 22 2.241 25.405 -2.855 1.00 0.00 C ATOM 309 NZ LYS A 22 2.307 25.189 -4.318 1.00 0.00 N ATOM 0 H LYS A 22 1.559 24.827 2.102 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.540 24.581 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.275 22.295 -0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.735 23.682 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.701 24.894 -0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.217 23.398 -0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.736 23.861 -2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.195 25.348 -2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.162 26.471 -2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.161 25.054 -2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.127 25.697 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.404 24.172 -4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.436 25.546 -4.761 1.00 0.00 H new ATOM 323 N PRO A 23 -2.032 22.532 1.778 1.00 0.00 N ATOM 324 CA PRO A 23 -2.866 21.553 2.455 1.00 0.00 C ATOM 325 C PRO A 23 -2.673 20.159 1.853 1.00 0.00 C ATOM 326 O PRO A 23 -3.077 19.907 0.719 1.00 0.00 O ATOM 327 CB PRO A 23 -4.285 22.073 2.304 1.00 0.00 C ATOM 328 CG PRO A 23 -4.244 23.071 1.158 1.00 0.00 C ATOM 329 CD PRO A 23 -2.786 23.397 0.876 1.00 0.00 C ATOM 0 HA PRO A 23 -2.609 21.437 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.978 21.260 2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.627 22.548 3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.720 22.653 0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.794 23.975 1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.531 23.202 -0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.572 24.449 1.065 1.00 0.00 H new ATOM 337 N TRP A 24 -2.055 19.290 2.640 1.00 0.00 N ATOM 338 CA TRP A 24 -1.803 17.929 2.199 1.00 0.00 C ATOM 339 C TRP A 24 -1.024 17.994 0.884 1.00 0.00 C ATOM 340 O TRP A 24 -0.881 19.064 0.295 1.00 0.00 O ATOM 341 CB TRP A 24 -3.109 17.140 2.082 1.00 0.00 C ATOM 342 CG TRP A 24 -3.913 17.070 3.382 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.275 18.081 4.184 1.00 0.00 C ATOM 344 CD2 TRP A 24 -4.442 15.880 4.002 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.996 17.632 5.271 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.101 16.250 5.157 1.00 0.00 C ATOM 347 CE3 TRP A 24 -4.367 14.534 3.601 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -5.735 15.335 6.005 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -5.006 13.632 4.460 1.00 0.00 C ATOM 350 CH2 TRP A 24 -5.674 13.988 5.626 1.00 0.00 C ATOM 0 H TRP A 24 -1.722 19.502 3.580 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.203 17.391 2.933 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -3.728 17.594 1.308 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.881 16.126 1.753 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.033 19.118 4.002 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -5.381 18.207 6.020 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.857 14.221 2.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.244 15.651 6.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -4.978 12.585 4.198 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.143 13.230 6.236 1.00 0.00 H new ATOM 361 N LYS A 25 -0.542 16.835 0.461 1.00 0.00 N ATOM 362 CA LYS A 25 0.219 16.746 -0.774 1.00 0.00 C ATOM 363 C LYS A 25 -0.371 15.642 -1.653 1.00 0.00 C ATOM 364 O LYS A 25 -0.233 14.459 -1.346 1.00 0.00 O ATOM 365 CB LYS A 25 1.708 16.564 -0.474 1.00 0.00 C ATOM 366 CG LYS A 25 2.254 17.747 0.328 1.00 0.00 C ATOM 367 CD LYS A 25 3.515 17.351 1.100 1.00 0.00 C ATOM 368 CE LYS A 25 4.337 18.584 1.479 1.00 0.00 C ATOM 369 NZ LYS A 25 5.782 18.266 1.474 1.00 0.00 N ATOM 0 H LYS A 25 -0.664 15.949 0.952 1.00 0.00 H new ATOM 0 HA LYS A 25 0.143 17.677 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.860 15.640 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.262 16.467 -1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.480 18.574 -0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.493 18.101 1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.237 16.804 2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.121 16.678 0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.134 19.393 0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.040 18.937 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.325 19.114 1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.973 17.509 2.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.065 17.951 0.524 1.00 0.00 H new ATOM 383 N ALA A 26 -1.015 16.067 -2.730 1.00 0.00 N ATOM 384 CA ALA A 26 -1.626 15.129 -3.656 1.00 0.00 C ATOM 385 C ALA A 26 -0.536 14.481 -4.512 1.00 0.00 C ATOM 386 O ALA A 26 0.116 15.154 -5.308 1.00 0.00 O ATOM 387 CB ALA A 26 -2.675 15.855 -4.501 1.00 0.00 C ATOM 0 H ALA A 26 -1.127 17.049 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.137 14.333 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.133 15.151 -5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.442 16.273 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.198 16.659 -5.061 1.00 0.00 H new ATOM 393 N ARG A 27 -0.372 13.180 -4.318 1.00 0.00 N ATOM 394 CA ARG A 27 0.628 12.433 -5.063 1.00 0.00 C ATOM 395 C ARG A 27 0.022 11.142 -5.617 1.00 0.00 C ATOM 396 O ARG A 27 -1.032 10.701 -5.161 1.00 0.00 O ATOM 397 CB ARG A 27 1.827 12.087 -4.179 1.00 0.00 C ATOM 398 CG ARG A 27 3.123 12.647 -4.768 1.00 0.00 C ATOM 399 CD ARG A 27 4.338 12.181 -3.964 1.00 0.00 C ATOM 400 NE ARG A 27 5.178 13.343 -3.596 1.00 0.00 N ATOM 401 CZ ARG A 27 4.870 14.214 -2.626 1.00 0.00 C ATOM 402 NH1 ARG A 27 3.741 14.061 -1.920 1.00 0.00 N ATOM 403 NH2 ARG A 27 5.692 15.239 -2.361 1.00 0.00 N ATOM 0 H ARG A 27 -0.914 12.625 -3.656 1.00 0.00 H new ATOM 0 HA ARG A 27 0.967 13.062 -5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.674 12.491 -3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.908 11.005 -4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.224 12.326 -5.805 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.083 13.736 -4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.011 11.659 -3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.922 11.471 -4.550 1.00 0.00 H new ATOM 0 HE ARG A 27 6.045 13.490 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.116 13.281 -2.121 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.507 14.725 -1.182 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.551 15.355 -2.898 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.458 15.903 -1.623 1.00 0.00 H new ATOM 417 N TRP A 28 0.714 10.573 -6.593 1.00 0.00 N ATOM 418 CA TRP A 28 0.257 9.341 -7.215 1.00 0.00 C ATOM 419 C TRP A 28 0.826 8.168 -6.414 1.00 0.00 C ATOM 420 O TRP A 28 2.042 8.023 -6.297 1.00 0.00 O ATOM 421 CB TRP A 28 0.644 9.298 -8.694 1.00 0.00 C ATOM 422 CG TRP A 28 0.065 8.103 -9.454 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.696 6.984 -9.836 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.295 7.951 -9.911 1.00 0.00 C ATOM 425 NE1 TRP A 28 -0.154 6.126 -10.503 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.404 6.733 -10.550 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.398 8.815 -9.788 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.597 6.268 -11.116 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.583 8.336 -10.360 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.709 7.112 -11.006 1.00 0.00 C ATOM 0 H TRP A 28 1.588 10.942 -6.969 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.831 9.280 -7.197 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.309 10.218 -9.174 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.731 9.275 -8.774 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.739 6.780 -9.646 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.090 5.214 -10.890 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.336 9.772 -9.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.657 5.310 -11.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.461 8.962 -10.295 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.660 6.813 -11.421 1.00 0.00 H new ATOM 441 N PHE A 29 -0.080 7.361 -5.882 1.00 0.00 N ATOM 442 CA PHE A 29 0.316 6.206 -5.096 1.00 0.00 C ATOM 443 C PHE A 29 0.136 4.912 -5.893 1.00 0.00 C ATOM 444 O PHE A 29 -0.445 4.922 -6.977 1.00 0.00 O ATOM 445 CB PHE A 29 -0.598 6.165 -3.869 1.00 0.00 C ATOM 446 CG PHE A 29 -0.157 7.093 -2.734 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.475 8.263 -3.019 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.397 6.747 -1.441 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.884 9.123 -1.966 1.00 0.00 C ATOM 450 CE2 PHE A 29 0.012 7.607 -0.388 1.00 0.00 C ATOM 451 CZ PHE A 29 0.643 8.777 -0.673 1.00 0.00 C ATOM 0 H PHE A 29 -1.088 7.485 -5.980 1.00 0.00 H new ATOM 0 HA PHE A 29 1.367 6.288 -4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.610 6.434 -4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.640 5.143 -3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.666 8.538 -4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.899 5.818 -1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.386 10.052 -2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.178 7.332 0.639 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.953 9.432 0.128 1.00 0.00 H new ATOM 461 N VAL A 30 0.646 3.829 -5.325 1.00 0.00 N ATOM 462 CA VAL A 30 0.550 2.530 -5.969 1.00 0.00 C ATOM 463 C VAL A 30 0.276 1.460 -4.911 1.00 0.00 C ATOM 464 O VAL A 30 1.022 1.336 -3.941 1.00 0.00 O ATOM 465 CB VAL A 30 1.815 2.255 -6.785 1.00 0.00 C ATOM 466 CG1 VAL A 30 1.984 0.757 -7.045 1.00 0.00 C ATOM 467 CG2 VAL A 30 1.803 3.042 -8.097 1.00 0.00 C ATOM 0 H VAL A 30 1.127 3.825 -4.426 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.283 2.513 -6.672 1.00 0.00 H new ATOM 0 HB VAL A 30 2.671 2.592 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.890 0.589 -7.627 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.060 0.229 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.123 0.384 -7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.713 2.829 -8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.935 2.750 -8.689 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.752 4.109 -7.881 1.00 0.00 H new ATOM 477 N LEU A 31 -0.796 0.713 -5.133 1.00 0.00 N ATOM 478 CA LEU A 31 -1.177 -0.343 -4.211 1.00 0.00 C ATOM 479 C LEU A 31 -0.686 -1.687 -4.750 1.00 0.00 C ATOM 480 O LEU A 31 -1.438 -2.412 -5.400 1.00 0.00 O ATOM 481 CB LEU A 31 -2.682 -0.301 -3.941 1.00 0.00 C ATOM 482 CG LEU A 31 -3.115 -0.603 -2.505 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.451 -2.086 -2.334 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.058 -0.135 -1.504 1.00 0.00 C ATOM 0 H LEU A 31 -1.413 0.819 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.699 -0.194 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.052 0.688 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.170 -1.015 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.026 -0.041 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.756 -2.274 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.264 -2.355 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.572 -2.687 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.391 -0.362 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.117 -0.650 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.911 0.940 -1.606 1.00 0.00 H new ATOM 496 N ASP A 32 0.574 -1.980 -4.462 1.00 0.00 N ATOM 497 CA ASP A 32 1.174 -3.225 -4.910 1.00 0.00 C ATOM 498 C ASP A 32 0.789 -4.348 -3.945 1.00 0.00 C ATOM 499 O ASP A 32 0.962 -4.217 -2.734 1.00 0.00 O ATOM 500 CB ASP A 32 2.700 -3.124 -4.932 1.00 0.00 C ATOM 501 CG ASP A 32 3.260 -1.993 -5.798 1.00 0.00 C ATOM 502 OD1 ASP A 32 2.953 -2.000 -7.009 1.00 0.00 O ATOM 503 OD2 ASP A 32 3.983 -1.147 -5.228 1.00 0.00 O ATOM 0 H ASP A 32 1.196 -1.376 -3.924 1.00 0.00 H new ATOM 0 HA ASP A 32 0.811 -3.431 -5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.055 -2.989 -3.910 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.107 -4.070 -5.289 1.00 0.00 H new ATOM 508 N LYS A 33 0.275 -5.427 -4.517 1.00 0.00 N ATOM 509 CA LYS A 33 -0.135 -6.572 -3.723 1.00 0.00 C ATOM 510 C LYS A 33 0.987 -7.613 -3.718 1.00 0.00 C ATOM 511 O LYS A 33 1.138 -8.363 -2.755 1.00 0.00 O ATOM 512 CB LYS A 33 -1.476 -7.116 -4.220 1.00 0.00 C ATOM 513 CG LYS A 33 -1.449 -7.344 -5.733 1.00 0.00 C ATOM 514 CD LYS A 33 -2.532 -8.338 -6.157 1.00 0.00 C ATOM 515 CE LYS A 33 -2.127 -9.771 -5.808 1.00 0.00 C ATOM 516 NZ LYS A 33 -2.814 -10.735 -6.696 1.00 0.00 N ATOM 0 H LYS A 33 0.133 -5.532 -5.522 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.301 -6.277 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.703 -8.053 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.272 -6.416 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.598 -6.396 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.470 -7.719 -6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.471 -8.091 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.706 -8.256 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.047 -9.884 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.377 -9.983 -4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.528 -11.703 -6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.843 -10.638 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.554 -10.542 -7.684 1.00 0.00 H new ATOM 530 N THR A 34 1.744 -7.625 -4.805 1.00 0.00 N ATOM 531 CA THR A 34 2.848 -8.560 -4.938 1.00 0.00 C ATOM 532 C THR A 34 3.992 -8.172 -4.000 1.00 0.00 C ATOM 533 O THR A 34 4.651 -9.038 -3.426 1.00 0.00 O ATOM 534 CB THR A 34 3.257 -8.602 -6.411 1.00 0.00 C ATOM 535 OG1 THR A 34 3.797 -7.307 -6.659 1.00 0.00 O ATOM 536 CG2 THR A 34 2.053 -8.690 -7.351 1.00 0.00 C ATOM 0 H THR A 34 1.615 -7.002 -5.602 1.00 0.00 H new ATOM 0 HA THR A 34 2.553 -9.566 -4.639 1.00 0.00 H new ATOM 0 HB THR A 34 3.913 -9.456 -6.581 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.089 -7.248 -7.593 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.399 -8.717 -8.384 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.487 -9.596 -7.134 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.413 -7.820 -7.205 1.00 0.00 H new ATOM 544 N LYS A 35 4.195 -6.869 -3.873 1.00 0.00 N ATOM 545 CA LYS A 35 5.248 -6.355 -3.015 1.00 0.00 C ATOM 546 C LYS A 35 4.668 -6.041 -1.635 1.00 0.00 C ATOM 547 O LYS A 35 5.379 -6.095 -0.632 1.00 0.00 O ATOM 548 CB LYS A 35 5.944 -5.163 -3.676 1.00 0.00 C ATOM 549 CG LYS A 35 6.973 -5.630 -4.707 1.00 0.00 C ATOM 550 CD LYS A 35 8.380 -5.651 -4.106 1.00 0.00 C ATOM 551 CE LYS A 35 9.444 -5.700 -5.205 1.00 0.00 C ATOM 552 NZ LYS A 35 10.786 -5.437 -4.639 1.00 0.00 N ATOM 0 H LYS A 35 3.647 -6.153 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 35 6.023 -7.107 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.202 -4.527 -4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.436 -4.557 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.711 -6.626 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.953 -4.967 -5.572 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.529 -4.765 -3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.487 -6.516 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.432 -6.677 -5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.216 -4.962 -5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.496 -5.474 -5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.799 -4.495 -4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.008 -6.157 -3.922 1.00 0.00 H new ATOM 566 N HIS A 36 3.383 -5.719 -1.627 1.00 0.00 N ATOM 567 CA HIS A 36 2.699 -5.396 -0.387 1.00 0.00 C ATOM 568 C HIS A 36 3.282 -4.109 0.201 1.00 0.00 C ATOM 569 O HIS A 36 3.445 -3.995 1.415 1.00 0.00 O ATOM 570 CB HIS A 36 2.760 -6.573 0.589 1.00 0.00 C ATOM 571 CG HIS A 36 1.453 -7.317 0.736 1.00 0.00 C ATOM 572 ND1 HIS A 36 0.979 -8.194 -0.223 1.00 0.00 N ATOM 573 CD2 HIS A 36 0.529 -7.305 1.738 1.00 0.00 C ATOM 574 CE1 HIS A 36 -0.181 -8.682 0.194 1.00 0.00 C ATOM 575 NE2 HIS A 36 -0.458 -8.129 1.409 1.00 0.00 N ATOM 0 H HIS A 36 2.797 -5.675 -2.461 1.00 0.00 H new ATOM 0 HA HIS A 36 1.642 -5.218 -0.586 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.528 -7.270 0.254 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.069 -6.205 1.567 1.00 0.00 H new ATOM 0 HD1 HIS A 36 1.443 -8.426 -1.101 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.590 -6.723 2.646 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.798 -9.393 -0.336 1.00 0.00 H new ATOM 583 N GLN A 37 3.580 -3.173 -0.688 1.00 0.00 N ATOM 584 CA GLN A 37 4.141 -1.898 -0.273 1.00 0.00 C ATOM 585 C GLN A 37 3.401 -0.746 -0.954 1.00 0.00 C ATOM 586 O GLN A 37 2.701 -0.951 -1.944 1.00 0.00 O ATOM 587 CB GLN A 37 5.641 -1.837 -0.569 1.00 0.00 C ATOM 588 CG GLN A 37 6.380 -2.995 0.105 1.00 0.00 C ATOM 589 CD GLN A 37 7.868 -2.675 0.267 1.00 0.00 C ATOM 590 OE1 GLN A 37 8.378 -2.511 1.363 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.533 -2.597 -0.882 1.00 0.00 N ATOM 0 H GLN A 37 3.444 -3.272 -1.694 1.00 0.00 H new ATOM 0 HA GLN A 37 4.012 -1.800 0.805 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.805 -1.874 -1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.046 -0.888 -0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.939 -3.194 1.082 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.262 -3.901 -0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.045 -2.745 -1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.532 -2.389 -0.880 1.00 0.00 H new ATOM 600 N LEU A 38 3.581 0.443 -0.396 1.00 0.00 N ATOM 601 CA LEU A 38 2.938 1.628 -0.937 1.00 0.00 C ATOM 602 C LEU A 38 3.982 2.486 -1.654 1.00 0.00 C ATOM 603 O LEU A 38 4.815 3.124 -1.011 1.00 0.00 O ATOM 604 CB LEU A 38 2.179 2.375 0.162 1.00 0.00 C ATOM 605 CG LEU A 38 0.875 3.052 -0.266 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.231 2.812 0.764 1.00 0.00 C ATOM 607 CD2 LEU A 38 1.094 4.542 -0.536 1.00 0.00 C ATOM 0 H LEU A 38 4.163 0.610 0.425 1.00 0.00 H new ATOM 0 HA LEU A 38 2.188 1.350 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.954 1.671 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.839 3.134 0.581 1.00 0.00 H new ATOM 0 HG LEU A 38 0.546 2.600 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.147 3.304 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.410 1.741 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.074 3.220 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.152 4.999 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.458 5.026 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.828 4.663 -1.332 1.00 0.00 H new ATOM 619 N ARG A 39 3.904 2.475 -2.977 1.00 0.00 N ATOM 620 CA ARG A 39 4.832 3.244 -3.788 1.00 0.00 C ATOM 621 C ARG A 39 4.131 4.469 -4.379 1.00 0.00 C ATOM 622 O ARG A 39 3.046 4.354 -4.947 1.00 0.00 O ATOM 623 CB ARG A 39 5.404 2.395 -4.925 1.00 0.00 C ATOM 624 CG ARG A 39 6.118 1.157 -4.379 1.00 0.00 C ATOM 625 CD ARG A 39 7.447 0.928 -5.100 1.00 0.00 C ATOM 626 NE ARG A 39 7.287 -0.115 -6.138 1.00 0.00 N ATOM 627 CZ ARG A 39 8.302 -0.645 -6.834 1.00 0.00 C ATOM 628 NH1 ARG A 39 9.557 -0.234 -6.607 1.00 0.00 N ATOM 629 NH2 ARG A 39 8.062 -1.587 -7.757 1.00 0.00 N ATOM 0 H ARG A 39 3.212 1.945 -3.507 1.00 0.00 H new ATOM 0 HA ARG A 39 5.649 3.565 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.601 2.090 -5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.101 2.991 -5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.296 1.277 -3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.479 0.282 -4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.787 1.858 -5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.211 0.626 -4.384 1.00 0.00 H new ATOM 0 HE ARG A 39 6.345 -0.452 -6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.740 0.482 -5.904 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.330 -0.638 -7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.107 -1.900 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.835 -1.990 -8.287 1.00 0.00 H new ATOM 643 N TYR A 40 4.779 5.614 -4.225 1.00 0.00 N ATOM 644 CA TYR A 40 4.232 6.859 -4.736 1.00 0.00 C ATOM 645 C TYR A 40 5.341 7.767 -5.272 1.00 0.00 C ATOM 646 O TYR A 40 6.419 7.849 -4.685 1.00 0.00 O ATOM 647 CB TYR A 40 3.559 7.545 -3.545 1.00 0.00 C ATOM 648 CG TYR A 40 4.509 7.847 -2.384 1.00 0.00 C ATOM 649 CD1 TYR A 40 4.776 6.877 -1.440 1.00 0.00 C ATOM 650 CD2 TYR A 40 5.098 9.091 -2.281 1.00 0.00 C ATOM 651 CE1 TYR A 40 5.670 7.162 -0.347 1.00 0.00 C ATOM 652 CE2 TYR A 40 5.991 9.376 -1.188 1.00 0.00 C ATOM 653 CZ TYR A 40 6.233 8.397 -0.275 1.00 0.00 C ATOM 654 OH TYR A 40 7.077 8.666 0.757 1.00 0.00 O ATOM 0 H TYR A 40 5.679 5.706 -3.753 1.00 0.00 H new ATOM 0 HA TYR A 40 3.538 6.665 -5.554 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.107 8.477 -3.883 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.749 6.911 -3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.315 5.904 -1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.889 9.850 -3.020 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.888 6.411 0.398 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.458 10.345 -1.095 1.00 0.00 H new ATOM 0 HH TYR A 40 7.405 9.586 0.680 1.00 0.00 H new ATOM 664 N TYR A 41 5.039 8.425 -6.382 1.00 0.00 N ATOM 665 CA TYR A 41 5.996 9.324 -7.003 1.00 0.00 C ATOM 666 C TYR A 41 5.410 10.728 -7.159 1.00 0.00 C ATOM 667 O TYR A 41 4.191 10.899 -7.166 1.00 0.00 O ATOM 668 CB TYR A 41 6.278 8.745 -8.391 1.00 0.00 C ATOM 669 CG TYR A 41 6.557 7.240 -8.393 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.546 6.351 -8.089 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.818 6.772 -8.699 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.808 4.935 -8.090 1.00 0.00 C ATOM 673 CE2 TYR A 41 8.081 5.356 -8.701 1.00 0.00 C ATOM 674 CZ TYR A 41 7.063 4.508 -8.396 1.00 0.00 C ATOM 675 OH TYR A 41 7.310 3.170 -8.398 1.00 0.00 O ATOM 0 H TYR A 41 4.145 8.353 -6.867 1.00 0.00 H new ATOM 0 HA TYR A 41 6.896 9.407 -6.393 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.424 8.947 -9.038 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.134 9.263 -8.823 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.558 6.717 -7.850 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.609 7.468 -8.937 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.026 4.228 -7.853 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.064 4.977 -8.939 1.00 0.00 H new ATOM 0 HH TYR A 41 8.247 3.011 -8.635 1.00 0.00 H new ATOM 685 N ASP A 42 6.304 11.698 -7.281 1.00 0.00 N ATOM 686 CA ASP A 42 5.890 13.082 -7.436 1.00 0.00 C ATOM 687 C ASP A 42 5.021 13.213 -8.689 1.00 0.00 C ATOM 688 O ASP A 42 4.161 14.089 -8.764 1.00 0.00 O ATOM 689 CB ASP A 42 7.100 14.004 -7.602 1.00 0.00 C ATOM 690 CG ASP A 42 8.130 13.928 -6.473 1.00 0.00 C ATOM 691 OD1 ASP A 42 7.856 13.188 -5.504 1.00 0.00 O ATOM 692 OD2 ASP A 42 9.168 14.611 -6.605 1.00 0.00 O ATOM 0 H ASP A 42 7.314 11.553 -7.276 1.00 0.00 H new ATOM 0 HA ASP A 42 5.337 13.370 -6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.595 13.763 -8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.746 15.032 -7.682 1.00 0.00 H new ATOM 697 N HIS A 43 5.276 12.328 -9.642 1.00 0.00 N ATOM 698 CA HIS A 43 4.528 12.333 -10.888 1.00 0.00 C ATOM 699 C HIS A 43 4.333 10.896 -11.375 1.00 0.00 C ATOM 700 O HIS A 43 5.057 9.992 -10.960 1.00 0.00 O ATOM 701 CB HIS A 43 5.210 13.225 -11.927 1.00 0.00 C ATOM 702 CG HIS A 43 4.342 14.350 -12.436 1.00 0.00 C ATOM 703 ND1 HIS A 43 4.493 14.904 -13.695 1.00 0.00 N ATOM 704 CD2 HIS A 43 3.311 15.019 -11.843 1.00 0.00 C ATOM 705 CE1 HIS A 43 3.590 15.862 -13.842 1.00 0.00 C ATOM 706 NE2 HIS A 43 2.859 15.932 -12.693 1.00 0.00 N ATOM 0 H HIS A 43 5.990 11.603 -9.576 1.00 0.00 H new ATOM 0 HA HIS A 43 3.539 12.760 -10.722 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.115 13.647 -11.490 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.521 12.609 -12.771 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.928 14.836 -10.850 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.456 16.479 -14.718 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.091 16.580 -12.516 1.00 0.00 H new ATOM 714 N ARG A 44 3.352 10.730 -12.250 1.00 0.00 N ATOM 715 CA ARG A 44 3.053 9.418 -12.799 1.00 0.00 C ATOM 716 C ARG A 44 4.294 8.829 -13.472 1.00 0.00 C ATOM 717 O ARG A 44 4.685 9.266 -14.554 1.00 0.00 O ATOM 718 CB ARG A 44 1.915 9.494 -13.819 1.00 0.00 C ATOM 719 CG ARG A 44 0.953 8.316 -13.657 1.00 0.00 C ATOM 720 CD ARG A 44 -0.500 8.795 -13.625 1.00 0.00 C ATOM 721 NE ARG A 44 -1.076 8.753 -14.988 1.00 0.00 N ATOM 722 CZ ARG A 44 -2.259 9.286 -15.320 1.00 0.00 C ATOM 723 NH1 ARG A 44 -2.999 9.906 -14.390 1.00 0.00 N ATOM 724 NH2 ARG A 44 -2.703 9.201 -16.582 1.00 0.00 N ATOM 0 H ARG A 44 2.754 11.482 -12.592 1.00 0.00 H new ATOM 0 HA ARG A 44 2.744 8.776 -11.974 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.372 10.431 -13.694 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.326 9.496 -14.828 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.090 7.614 -14.480 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.183 7.778 -12.737 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.085 8.165 -12.954 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.548 9.810 -13.232 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.538 8.289 -15.720 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.661 9.972 -13.430 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.900 10.312 -14.643 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.140 8.730 -17.290 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.604 9.607 -16.834 1.00 0.00 H new ATOM 738 N MET A 45 4.880 7.846 -12.804 1.00 0.00 N ATOM 739 CA MET A 45 6.069 7.192 -13.324 1.00 0.00 C ATOM 740 C MET A 45 7.266 8.144 -13.315 1.00 0.00 C ATOM 741 O MET A 45 7.680 8.637 -14.364 1.00 0.00 O ATOM 742 CB MET A 45 5.805 6.716 -14.755 1.00 0.00 C ATOM 743 CG MET A 45 5.709 5.190 -14.816 1.00 0.00 C ATOM 744 SD MET A 45 5.094 4.681 -16.413 1.00 0.00 S ATOM 745 CE MET A 45 3.337 4.777 -16.114 1.00 0.00 C ATOM 0 H MET A 45 4.553 7.487 -11.907 1.00 0.00 H new ATOM 0 HA MET A 45 6.302 6.340 -12.685 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.879 7.157 -15.124 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.605 7.060 -15.410 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.689 4.748 -14.637 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.047 4.827 -14.030 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.798 4.489 -17.017 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.069 4.102 -15.301 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.070 5.798 -15.842 1.00 0.00 H new ATOM 755 N ASP A 46 7.790 8.374 -12.120 1.00 0.00 N ATOM 756 CA ASP A 46 8.931 9.258 -11.961 1.00 0.00 C ATOM 757 C ASP A 46 10.220 8.436 -12.020 1.00 0.00 C ATOM 758 O ASP A 46 10.181 7.208 -11.953 1.00 0.00 O ATOM 759 CB ASP A 46 8.889 9.974 -10.609 1.00 0.00 C ATOM 760 CG ASP A 46 9.768 11.222 -10.511 1.00 0.00 C ATOM 761 OD1 ASP A 46 10.299 11.628 -11.568 1.00 0.00 O ATOM 762 OD2 ASP A 46 9.890 11.743 -9.381 1.00 0.00 O ATOM 0 H ASP A 46 7.445 7.963 -11.253 1.00 0.00 H new ATOM 0 HA ASP A 46 8.899 9.997 -12.762 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.858 10.257 -10.396 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.194 9.272 -9.833 1.00 0.00 H new ATOM 767 N THR A 47 11.332 9.145 -12.144 1.00 0.00 N ATOM 768 CA THR A 47 12.630 8.496 -12.212 1.00 0.00 C ATOM 769 C THR A 47 12.667 7.277 -11.289 1.00 0.00 C ATOM 770 O THR A 47 12.986 6.172 -11.725 1.00 0.00 O ATOM 771 CB THR A 47 13.699 9.540 -11.883 1.00 0.00 C ATOM 772 OG1 THR A 47 14.837 8.767 -11.512 1.00 0.00 O ATOM 773 CG2 THR A 47 13.366 10.341 -10.622 1.00 0.00 C ATOM 0 H THR A 47 11.361 10.163 -12.199 1.00 0.00 H new ATOM 0 HA THR A 47 12.827 8.112 -13.213 1.00 0.00 H new ATOM 0 HB THR A 47 13.813 10.221 -12.727 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.579 9.365 -11.284 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.156 11.068 -10.433 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.419 10.863 -10.762 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.285 9.664 -9.772 1.00 0.00 H new ATOM 781 N GLU A 48 12.335 7.519 -10.029 1.00 0.00 N ATOM 782 CA GLU A 48 12.326 6.455 -9.040 1.00 0.00 C ATOM 783 C GLU A 48 11.304 6.759 -7.942 1.00 0.00 C ATOM 784 O GLU A 48 10.959 7.917 -7.714 1.00 0.00 O ATOM 785 CB GLU A 48 13.720 6.244 -8.447 1.00 0.00 C ATOM 786 CG GLU A 48 14.407 5.030 -9.077 1.00 0.00 C ATOM 787 CD GLU A 48 15.350 4.355 -8.079 1.00 0.00 C ATOM 788 OE1 GLU A 48 14.900 4.132 -6.934 1.00 0.00 O ATOM 789 OE2 GLU A 48 16.499 4.077 -8.484 1.00 0.00 O ATOM 0 H GLU A 48 12.070 8.437 -9.671 1.00 0.00 H new ATOM 0 HA GLU A 48 12.034 5.529 -9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.327 7.135 -8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.643 6.104 -7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.655 4.316 -9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.967 5.341 -9.959 1.00 0.00 H new ATOM 796 N CYS A 49 10.848 5.698 -7.292 1.00 0.00 N ATOM 797 CA CYS A 49 9.872 5.837 -6.224 1.00 0.00 C ATOM 798 C CYS A 49 10.528 6.600 -5.071 1.00 0.00 C ATOM 799 O CYS A 49 11.701 6.389 -4.770 1.00 0.00 O ATOM 800 CB CYS A 49 9.329 4.480 -5.774 1.00 0.00 C ATOM 801 SG CYS A 49 10.678 3.472 -5.058 1.00 0.00 S ATOM 0 H CYS A 49 11.136 4.739 -7.484 1.00 0.00 H new ATOM 0 HA CYS A 49 9.010 6.397 -6.586 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.539 4.622 -5.036 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.884 3.958 -6.621 1.00 0.00 H new ATOM 0 HG CYS A 49 11.627 4.254 -4.636 1.00 0.00 H new ATOM 807 N LYS A 50 9.740 7.471 -4.457 1.00 0.00 N ATOM 808 CA LYS A 50 10.229 8.267 -3.344 1.00 0.00 C ATOM 809 C LYS A 50 9.449 7.901 -2.080 1.00 0.00 C ATOM 810 O LYS A 50 8.404 8.486 -1.801 1.00 0.00 O ATOM 811 CB LYS A 50 10.180 9.757 -3.688 1.00 0.00 C ATOM 812 CG LYS A 50 11.210 10.106 -4.764 1.00 0.00 C ATOM 813 CD LYS A 50 12.354 10.938 -4.179 1.00 0.00 C ATOM 814 CE LYS A 50 13.504 10.040 -3.717 1.00 0.00 C ATOM 815 NZ LYS A 50 14.396 10.776 -2.794 1.00 0.00 N ATOM 0 H LYS A 50 8.767 7.643 -4.709 1.00 0.00 H new ATOM 0 HA LYS A 50 11.278 8.044 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.181 10.021 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.371 10.347 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.608 9.191 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.727 10.660 -5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.716 11.642 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.987 11.527 -3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.106 9.156 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.071 9.692 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.171 10.153 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.790 11.606 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.855 11.087 -1.962 1.00 0.00 H new ATOM 829 N GLY A 51 9.987 6.935 -1.349 1.00 0.00 N ATOM 830 CA GLY A 51 9.354 6.485 -0.122 1.00 0.00 C ATOM 831 C GLY A 51 8.543 5.209 -0.359 1.00 0.00 C ATOM 832 O GLY A 51 7.981 5.019 -1.436 1.00 0.00 O ATOM 0 H GLY A 51 10.854 6.452 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.114 6.301 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.702 7.269 0.263 1.00 0.00 H new ATOM 836 N VAL A 52 8.508 4.369 0.665 1.00 0.00 N ATOM 837 CA VAL A 52 7.775 3.118 0.581 1.00 0.00 C ATOM 838 C VAL A 52 7.060 2.861 1.909 1.00 0.00 C ATOM 839 O VAL A 52 7.530 3.285 2.964 1.00 0.00 O ATOM 840 CB VAL A 52 8.721 1.983 0.183 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.204 0.635 0.688 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.937 1.955 -1.332 1.00 0.00 C ATOM 0 H VAL A 52 8.976 4.531 1.557 1.00 0.00 H new ATOM 0 HA VAL A 52 7.011 3.174 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 52 9.685 2.170 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.895 -0.154 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.126 0.659 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.222 0.438 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.613 1.139 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.981 1.805 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.371 2.901 -1.655 1.00 0.00 H new ATOM 852 N ILE A 53 5.935 2.168 1.814 1.00 0.00 N ATOM 853 CA ILE A 53 5.150 1.849 2.995 1.00 0.00 C ATOM 854 C ILE A 53 4.817 0.356 2.993 1.00 0.00 C ATOM 855 O ILE A 53 3.861 -0.070 2.348 1.00 0.00 O ATOM 856 CB ILE A 53 3.918 2.753 3.079 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.209 4.133 2.484 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.404 2.846 4.517 1.00 0.00 C ATOM 859 CD1 ILE A 53 2.967 5.025 2.536 1.00 0.00 C ATOM 0 H ILE A 53 5.548 1.818 0.937 1.00 0.00 H new ATOM 0 HA ILE A 53 5.725 2.047 3.900 1.00 0.00 H new ATOM 0 HB ILE A 53 3.124 2.305 2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.024 4.605 3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.541 4.025 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.528 3.494 4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.133 1.852 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.184 3.259 5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.201 5.999 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.162 4.561 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.652 5.150 3.572 1.00 0.00 H new ATOM 871 N ASP A 54 5.626 -0.398 3.723 1.00 0.00 N ATOM 872 CA ASP A 54 5.429 -1.835 3.814 1.00 0.00 C ATOM 873 C ASP A 54 4.031 -2.120 4.365 1.00 0.00 C ATOM 874 O ASP A 54 3.778 -1.933 5.554 1.00 0.00 O ATOM 875 CB ASP A 54 6.449 -2.472 4.761 1.00 0.00 C ATOM 876 CG ASP A 54 6.913 -1.574 5.910 1.00 0.00 C ATOM 877 OD1 ASP A 54 6.079 -0.763 6.368 1.00 0.00 O ATOM 878 OD2 ASP A 54 8.090 -1.719 6.304 1.00 0.00 O ATOM 0 H ASP A 54 6.419 -0.041 4.257 1.00 0.00 H new ATOM 0 HA ASP A 54 5.551 -2.256 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.015 -3.379 5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.321 -2.775 4.181 1.00 0.00 H new ATOM 883 N LEU A 55 3.159 -2.570 3.474 1.00 0.00 N ATOM 884 CA LEU A 55 1.793 -2.883 3.855 1.00 0.00 C ATOM 885 C LEU A 55 1.803 -4.000 4.901 1.00 0.00 C ATOM 886 O LEU A 55 0.875 -4.116 5.700 1.00 0.00 O ATOM 887 CB LEU A 55 0.951 -3.205 2.619 1.00 0.00 C ATOM 888 CG LEU A 55 0.898 -2.119 1.542 1.00 0.00 C ATOM 889 CD1 LEU A 55 0.323 -2.670 0.236 1.00 0.00 C ATOM 890 CD2 LEU A 55 0.125 -0.895 2.036 1.00 0.00 C ATOM 0 H LEU A 55 3.373 -2.725 2.489 1.00 0.00 H new ATOM 0 HA LEU A 55 1.319 -2.017 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.339 -4.118 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.068 -3.418 2.943 1.00 0.00 H new ATOM 0 HG LEU A 55 1.917 -1.794 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.296 -1.878 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.950 -3.487 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.688 -3.039 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.102 -0.138 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.894 -1.186 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.616 -0.487 2.920 1.00 0.00 H new ATOM 902 N ALA A 56 2.863 -4.794 4.861 1.00 0.00 N ATOM 903 CA ALA A 56 3.006 -5.898 5.795 1.00 0.00 C ATOM 904 C ALA A 56 3.135 -5.345 7.216 1.00 0.00 C ATOM 905 O ALA A 56 2.903 -6.062 8.188 1.00 0.00 O ATOM 906 CB ALA A 56 4.207 -6.755 5.392 1.00 0.00 C ATOM 0 H ALA A 56 3.631 -4.695 4.197 1.00 0.00 H new ATOM 0 HA ALA A 56 2.125 -6.539 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.314 -7.583 6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.053 -7.148 4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.111 -6.146 5.409 1.00 0.00 H new ATOM 912 N GLU A 57 3.504 -4.075 7.291 1.00 0.00 N ATOM 913 CA GLU A 57 3.667 -3.418 8.576 1.00 0.00 C ATOM 914 C GLU A 57 2.336 -2.820 9.039 1.00 0.00 C ATOM 915 O GLU A 57 2.116 -2.639 10.235 1.00 0.00 O ATOM 916 CB GLU A 57 4.756 -2.345 8.510 1.00 0.00 C ATOM 917 CG GLU A 57 6.138 -2.977 8.331 1.00 0.00 C ATOM 918 CD GLU A 57 6.490 -3.872 9.522 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.691 -3.305 10.617 1.00 0.00 O ATOM 920 OE2 GLU A 57 6.550 -5.102 9.309 1.00 0.00 O ATOM 0 H GLU A 57 3.695 -3.483 6.482 1.00 0.00 H new ATOM 0 HA GLU A 57 3.982 -4.164 9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.553 -1.666 7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.740 -1.749 9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.157 -3.564 7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.889 -2.194 8.225 1.00 0.00 H new ATOM 927 N VAL A 58 1.484 -2.530 8.067 1.00 0.00 N ATOM 928 CA VAL A 58 0.182 -1.957 8.359 1.00 0.00 C ATOM 929 C VAL A 58 -0.586 -2.895 9.292 1.00 0.00 C ATOM 930 O VAL A 58 -0.672 -4.096 9.037 1.00 0.00 O ATOM 931 CB VAL A 58 -0.566 -1.665 7.057 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.003 -1.222 7.337 1.00 0.00 C ATOM 933 CG2 VAL A 58 0.176 -0.621 6.220 1.00 0.00 C ATOM 0 H VAL A 58 1.670 -2.681 7.076 1.00 0.00 H new ATOM 0 HA VAL A 58 0.292 -1.003 8.875 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.607 -2.589 6.481 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.512 -1.021 6.394 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.530 -2.012 7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.993 -0.317 7.944 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.377 -0.432 5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.263 0.305 6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.171 -0.992 5.975 1.00 0.00 H new ATOM 943 N GLU A 59 -1.124 -2.313 10.354 1.00 0.00 N ATOM 944 CA GLU A 59 -1.881 -3.083 11.326 1.00 0.00 C ATOM 945 C GLU A 59 -3.373 -3.039 10.991 1.00 0.00 C ATOM 946 O GLU A 59 -4.113 -3.968 11.313 1.00 0.00 O ATOM 947 CB GLU A 59 -1.623 -2.577 12.747 1.00 0.00 C ATOM 948 CG GLU A 59 -0.249 -3.025 13.248 1.00 0.00 C ATOM 949 CD GLU A 59 -0.003 -2.544 14.679 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.078 -1.313 14.885 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.254 -3.417 15.535 1.00 0.00 O ATOM 0 H GLU A 59 -1.051 -1.317 10.562 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.548 -4.120 11.279 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.684 -1.489 12.766 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.398 -2.951 13.416 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.181 -4.112 13.209 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.527 -2.633 12.591 1.00 0.00 H new ATOM 958 N ALA A 60 -3.772 -1.951 10.348 1.00 0.00 N ATOM 959 CA ALA A 60 -5.162 -1.775 9.966 1.00 0.00 C ATOM 960 C ALA A 60 -5.384 -0.329 9.516 1.00 0.00 C ATOM 961 O ALA A 60 -4.447 0.468 9.494 1.00 0.00 O ATOM 962 CB ALA A 60 -6.067 -2.166 11.136 1.00 0.00 C ATOM 0 H ALA A 60 -3.156 -1.183 10.082 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.414 -2.424 9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.110 -2.034 10.849 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.892 -3.209 11.398 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.844 -1.534 11.995 1.00 0.00 H new ATOM 968 N VAL A 61 -6.628 -0.036 9.168 1.00 0.00 N ATOM 969 CA VAL A 61 -6.984 1.300 8.719 1.00 0.00 C ATOM 970 C VAL A 61 -8.337 1.690 9.316 1.00 0.00 C ATOM 971 O VAL A 61 -9.155 0.825 9.627 1.00 0.00 O ATOM 972 CB VAL A 61 -6.965 1.361 7.191 1.00 0.00 C ATOM 973 CG1 VAL A 61 -7.194 -0.025 6.584 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.994 2.365 6.669 1.00 0.00 C ATOM 0 H VAL A 61 -7.402 -0.700 9.188 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.252 2.028 9.069 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.977 1.703 6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.176 0.047 5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.407 -0.702 6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.162 -0.408 6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.959 2.388 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.991 2.067 6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.766 3.356 7.061 1.00 0.00 H new ATOM 984 N ALA A 62 -8.532 2.992 9.459 1.00 0.00 N ATOM 985 CA ALA A 62 -9.773 3.507 10.013 1.00 0.00 C ATOM 986 C ALA A 62 -10.141 4.811 9.302 1.00 0.00 C ATOM 987 O ALA A 62 -9.265 5.595 8.943 1.00 0.00 O ATOM 988 CB ALA A 62 -9.620 3.690 11.524 1.00 0.00 C ATOM 0 H ALA A 62 -7.851 3.707 9.201 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.588 2.802 9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.551 4.076 11.940 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.387 2.730 11.985 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.813 4.394 11.725 1.00 0.00 H new ATOM 994 N PRO A 63 -11.474 5.008 9.117 1.00 0.00 N ATOM 995 CA PRO A 63 -11.970 6.203 8.456 1.00 0.00 C ATOM 996 C PRO A 63 -11.885 7.417 9.383 1.00 0.00 C ATOM 997 O PRO A 63 -12.503 7.436 10.445 1.00 0.00 O ATOM 998 CB PRO A 63 -13.395 5.866 8.048 1.00 0.00 C ATOM 999 CG PRO A 63 -13.800 4.673 8.900 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.541 4.101 9.530 1.00 0.00 C ATOM 0 HA PRO A 63 -11.376 6.479 7.585 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.061 6.712 8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.451 5.625 6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.508 4.977 9.671 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.298 3.919 8.290 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.626 4.058 10.616 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.352 3.084 9.185 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.113 8.402 8.946 1.00 0.00 N ATOM 1009 CA GLY A 64 -10.939 9.617 9.723 1.00 0.00 C ATOM 1010 C GLY A 64 -11.905 10.709 9.258 1.00 0.00 C ATOM 1011 O GLY A 64 -12.891 10.422 8.581 1.00 0.00 O ATOM 0 H GLY A 64 -10.601 8.383 8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.106 9.405 10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.912 9.970 9.627 1.00 0.00 H new ATOM 1015 N THR A 65 -11.587 11.937 9.640 1.00 0.00 N ATOM 1016 CA THR A 65 -12.415 13.073 9.270 1.00 0.00 C ATOM 1017 C THR A 65 -11.597 14.092 8.475 1.00 0.00 C ATOM 1018 O THR A 65 -10.398 14.246 8.704 1.00 0.00 O ATOM 1019 CB THR A 65 -13.026 13.649 10.549 1.00 0.00 C ATOM 1020 OG1 THR A 65 -12.008 13.472 11.531 1.00 0.00 O ATOM 1021 CG2 THR A 65 -14.194 12.809 11.070 1.00 0.00 C ATOM 0 H THR A 65 -10.768 12.170 10.202 1.00 0.00 H new ATOM 0 HA THR A 65 -13.229 12.771 8.611 1.00 0.00 H new ATOM 0 HB THR A 65 -13.366 14.668 10.361 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.320 13.820 12.392 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.591 13.262 11.979 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.978 12.767 10.314 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.847 11.799 11.289 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.296 14.781 7.534 1.00 0.00 N ATOM 1030 CA PRO A 66 -11.647 15.782 6.704 1.00 0.00 C ATOM 1031 C PRO A 66 -11.384 17.064 7.496 1.00 0.00 C ATOM 1032 O PRO A 66 -12.316 17.693 7.995 1.00 0.00 O ATOM 1033 CB PRO A 66 -12.591 15.992 5.531 1.00 0.00 C ATOM 1034 CG PRO A 66 -13.939 15.452 5.979 1.00 0.00 C ATOM 1035 CD PRO A 66 -13.717 14.626 7.236 1.00 0.00 C ATOM 0 HA PRO A 66 -10.664 15.466 6.356 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.661 17.048 5.270 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.235 15.467 4.644 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.631 16.270 6.178 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.385 14.841 5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.336 14.983 8.059 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.976 13.580 7.073 1.00 0.00 H new ATOM 1043 N THR A 67 -10.109 17.415 7.586 1.00 0.00 N ATOM 1044 CA THR A 67 -9.711 18.611 8.309 1.00 0.00 C ATOM 1045 C THR A 67 -9.573 19.793 7.348 1.00 0.00 C ATOM 1046 O THR A 67 -9.921 19.687 6.173 1.00 0.00 O ATOM 1047 CB THR A 67 -8.423 18.295 9.072 1.00 0.00 C ATOM 1048 OG1 THR A 67 -7.690 17.455 8.184 1.00 0.00 O ATOM 1049 CG2 THR A 67 -8.670 17.414 10.299 1.00 0.00 C ATOM 0 H THR A 67 -9.338 16.892 7.170 1.00 0.00 H new ATOM 0 HA THR A 67 -10.470 18.907 9.033 1.00 0.00 H new ATOM 0 HB THR A 67 -7.948 19.226 9.383 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.131 16.840 8.703 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.724 17.220 10.804 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.348 17.924 10.983 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.114 16.469 9.985 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.065 20.894 7.884 1.00 0.00 N ATOM 1058 CA ILE A 68 -8.877 22.095 7.089 1.00 0.00 C ATOM 1059 C ILE A 68 -7.676 21.905 6.160 1.00 0.00 C ATOM 1060 O ILE A 68 -6.557 21.690 6.624 1.00 0.00 O ATOM 1061 CB ILE A 68 -8.767 23.324 7.993 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -10.118 23.663 8.625 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -8.175 24.513 7.233 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -9.937 24.241 10.030 1.00 0.00 C ATOM 0 H ILE A 68 -8.778 20.979 8.859 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.746 22.271 6.455 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.081 23.089 8.807 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.647 24.381 7.998 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.736 22.766 8.674 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.108 25.373 7.899 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.179 24.255 6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.816 24.759 6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.913 24.473 10.456 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.430 23.511 10.661 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.339 25.151 9.975 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.949 21.990 4.867 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.905 21.829 3.869 1.00 0.00 C ATOM 1078 C GLY A 69 -7.261 20.722 2.875 1.00 0.00 C ATOM 1079 O GLY A 69 -7.109 20.895 1.667 1.00 0.00 O ATOM 0 H GLY A 69 -8.879 22.168 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.759 22.768 3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.961 21.592 4.360 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.728 19.608 3.421 1.00 0.00 N ATOM 1084 CA ALA A 70 -8.107 18.473 2.598 1.00 0.00 C ATOM 1085 C ALA A 70 -8.971 18.959 1.432 1.00 0.00 C ATOM 1086 O ALA A 70 -9.503 20.067 1.470 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.825 17.433 3.461 1.00 0.00 C ATOM 0 H ALA A 70 -7.852 19.468 4.424 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.224 17.993 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.109 16.581 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.159 17.098 4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.719 17.878 3.899 1.00 0.00 H new ATOM 1093 N PRO A 71 -9.085 18.085 0.398 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.875 18.414 -0.777 1.00 0.00 C ATOM 1095 C PRO A 71 -11.372 18.309 -0.478 1.00 0.00 C ATOM 1096 O PRO A 71 -11.768 18.129 0.673 1.00 0.00 O ATOM 1097 CB PRO A 71 -9.414 17.438 -1.847 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.724 16.303 -1.107 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.468 16.764 0.318 1.00 0.00 C ATOM 0 HA PRO A 71 -9.731 19.443 -1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -10.259 17.069 -2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.731 17.920 -2.547 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.347 15.409 -1.113 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.787 16.041 -1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.908 16.077 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.400 16.812 0.533 1.00 0.00 H new ATOM 1107 N LYS A 72 -12.163 18.428 -1.534 1.00 0.00 N ATOM 1108 CA LYS A 72 -13.608 18.349 -1.399 1.00 0.00 C ATOM 1109 C LYS A 72 -14.132 17.181 -2.237 1.00 0.00 C ATOM 1110 O LYS A 72 -15.022 16.451 -1.803 1.00 0.00 O ATOM 1111 CB LYS A 72 -14.252 19.693 -1.746 1.00 0.00 C ATOM 1112 CG LYS A 72 -14.405 20.566 -0.499 1.00 0.00 C ATOM 1113 CD LYS A 72 -15.774 21.248 -0.471 1.00 0.00 C ATOM 1114 CE LYS A 72 -16.011 21.947 0.869 1.00 0.00 C ATOM 1115 NZ LYS A 72 -15.443 23.314 0.848 1.00 0.00 N ATOM 0 H LYS A 72 -11.831 18.578 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.883 18.147 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.642 20.212 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.229 19.526 -2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.281 19.954 0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.619 21.320 -0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.839 21.975 -1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.556 20.509 -0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.080 21.994 1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.555 21.369 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.612 23.774 1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.420 23.262 0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.897 23.867 0.094 1.00 0.00 H new ATOM 1129 N THR A 73 -13.556 17.041 -3.422 1.00 0.00 N ATOM 1130 CA THR A 73 -13.954 15.974 -4.325 1.00 0.00 C ATOM 1131 C THR A 73 -14.158 14.669 -3.552 1.00 0.00 C ATOM 1132 O THR A 73 -14.949 13.819 -3.959 1.00 0.00 O ATOM 1133 CB THR A 73 -12.897 15.868 -5.426 1.00 0.00 C ATOM 1134 OG1 THR A 73 -13.656 15.822 -6.632 1.00 0.00 O ATOM 1135 CG2 THR A 73 -12.157 14.530 -5.401 1.00 0.00 C ATOM 0 H THR A 73 -12.817 17.648 -3.778 1.00 0.00 H new ATOM 0 HA THR A 73 -14.914 16.191 -4.794 1.00 0.00 H new ATOM 0 HB THR A 73 -12.179 16.681 -5.319 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.049 15.755 -7.398 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.419 14.508 -6.203 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.654 14.410 -4.441 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.870 13.717 -5.541 1.00 0.00 H new ATOM 1143 N VAL A 74 -13.432 14.552 -2.450 1.00 0.00 N ATOM 1144 CA VAL A 74 -13.523 13.365 -1.616 1.00 0.00 C ATOM 1145 C VAL A 74 -14.481 13.636 -0.455 1.00 0.00 C ATOM 1146 O VAL A 74 -14.745 14.790 -0.119 1.00 0.00 O ATOM 1147 CB VAL A 74 -12.127 12.942 -1.154 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.461 14.050 -0.336 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -12.186 11.635 -0.361 1.00 0.00 C ATOM 0 H VAL A 74 -12.778 15.260 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.930 12.528 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.518 12.769 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.470 13.724 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.370 14.948 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.068 14.269 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.181 11.356 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.819 11.770 0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.600 10.847 -0.989 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.977 12.553 0.127 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.900 12.660 1.243 1.00 0.00 C ATOM 1161 C ASP A 75 -15.239 12.092 2.501 1.00 0.00 C ATOM 1162 O ASP A 75 -14.392 11.205 2.415 1.00 0.00 O ATOM 1163 CB ASP A 75 -17.178 11.861 0.979 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.463 12.506 1.503 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.738 12.326 2.709 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.142 13.165 0.685 1.00 0.00 O ATOM 0 H ASP A 75 -14.756 11.598 -0.154 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.153 13.712 1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.278 11.708 -0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.073 10.875 1.432 1.00 0.00 H new ATOM 1171 N GLU A 76 -15.653 12.627 3.641 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.112 12.185 4.915 1.00 0.00 C ATOM 1173 C GLU A 76 -15.029 10.658 4.955 1.00 0.00 C ATOM 1174 O GLU A 76 -14.087 10.098 5.514 1.00 0.00 O ATOM 1175 CB GLU A 76 -15.947 12.719 6.080 1.00 0.00 C ATOM 1176 CG GLU A 76 -17.439 12.481 5.841 1.00 0.00 C ATOM 1177 CD GLU A 76 -18.222 12.546 7.153 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -18.096 11.581 7.938 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -18.929 13.559 7.342 1.00 0.00 O ATOM 0 H GLU A 76 -16.357 13.362 3.708 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.104 12.587 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.641 12.230 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.761 13.786 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.823 13.228 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.585 11.507 5.374 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.028 10.027 4.355 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.079 8.575 4.315 1.00 0.00 C ATOM 1188 C LYS A 77 -14.792 8.040 3.686 1.00 0.00 C ATOM 1189 O LYS A 77 -14.147 7.153 4.242 1.00 0.00 O ATOM 1190 CB LYS A 77 -17.351 8.104 3.607 1.00 0.00 C ATOM 1191 CG LYS A 77 -18.594 8.741 4.232 1.00 0.00 C ATOM 1192 CD LYS A 77 -19.551 9.249 3.151 1.00 0.00 C ATOM 1193 CE LYS A 77 -20.964 8.704 3.370 1.00 0.00 C ATOM 1194 NZ LYS A 77 -20.958 7.224 3.353 1.00 0.00 N ATOM 0 H LYS A 77 -16.808 10.494 3.893 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.133 8.168 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.299 8.361 2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.425 7.018 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.104 8.011 4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.298 9.567 4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.572 10.339 3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.189 8.947 2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.354 9.061 4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.629 9.080 2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.866 6.877 2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.184 6.887 2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.820 6.866 4.320 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.456 8.602 2.534 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.256 8.193 1.823 1.00 0.00 C ATOM 1210 C ALA A 78 -12.066 8.216 2.784 1.00 0.00 C ATOM 1211 O ALA A 78 -11.481 7.174 3.077 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.045 9.104 0.612 1.00 0.00 C ATOM 0 H ALA A 78 -14.994 9.337 2.075 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.359 7.174 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.145 8.798 0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.905 9.029 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -12.935 10.135 0.947 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.744 9.414 3.248 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.634 9.586 4.170 1.00 0.00 C ATOM 1220 C PHE A 79 -10.465 8.353 5.060 1.00 0.00 C ATOM 1221 O PHE A 79 -11.416 7.911 5.702 1.00 0.00 O ATOM 1222 CB PHE A 79 -10.966 10.793 5.049 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.806 12.140 4.342 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -11.843 12.665 3.636 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -9.627 12.814 4.420 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -11.695 13.915 2.979 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -9.479 14.064 3.764 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.516 14.589 3.057 1.00 0.00 C ATOM 0 H PHE A 79 -12.232 10.275 3.003 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.707 9.730 3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.993 10.700 5.404 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.322 10.777 5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.780 12.131 3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.803 12.398 4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.518 14.331 2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.543 14.599 3.826 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.403 15.540 2.558 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.246 7.832 5.070 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.940 6.659 5.870 1.00 0.00 C ATOM 1240 C PHE A 80 -7.488 6.686 6.350 1.00 0.00 C ATOM 1241 O PHE A 80 -6.572 6.898 5.556 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.146 5.438 4.972 1.00 0.00 C ATOM 1243 CG PHE A 80 -8.111 5.308 3.853 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.278 5.991 2.689 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -7.023 4.508 4.022 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.317 5.870 1.650 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -6.063 4.387 2.983 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.230 5.071 1.819 1.00 0.00 C ATOM 0 H PHE A 80 -8.459 8.201 4.536 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.584 6.630 6.749 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.117 4.538 5.587 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.141 5.489 4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.141 6.626 2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.890 3.965 4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.450 6.413 0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.200 3.752 3.117 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.499 4.979 1.029 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.321 6.468 7.646 1.00 0.00 N ATOM 1259 CA ASP A 81 -5.995 6.465 8.240 1.00 0.00 C ATOM 1260 C ASP A 81 -5.420 5.048 8.186 1.00 0.00 C ATOM 1261 O ASP A 81 -6.149 4.071 8.356 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.048 6.897 9.707 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.475 8.286 9.992 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.871 9.224 9.267 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -4.653 8.380 10.930 1.00 0.00 O ATOM 0 H ASP A 81 -8.082 6.292 8.302 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.373 7.163 7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.086 6.873 10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.504 6.166 10.305 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.119 4.981 7.947 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.437 3.700 7.868 1.00 0.00 C ATOM 1272 C VAL A 82 -2.538 3.529 9.094 1.00 0.00 C ATOM 1273 O VAL A 82 -1.579 4.278 9.274 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.673 3.594 6.547 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.483 2.642 6.676 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.601 3.161 5.410 1.00 0.00 C ATOM 0 H VAL A 82 -3.518 5.793 7.805 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.158 2.883 7.877 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.285 4.583 6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.958 2.585 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.803 3.011 7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.839 1.650 6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.033 3.093 4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.032 2.187 5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.400 3.893 5.294 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.879 2.538 9.905 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.114 2.259 11.108 1.00 0.00 C ATOM 1288 C LYS A 83 -0.971 1.301 10.770 1.00 0.00 C ATOM 1289 O LYS A 83 -1.207 0.178 10.328 1.00 0.00 O ATOM 1290 CB LYS A 83 -3.033 1.751 12.221 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.867 2.892 12.807 1.00 0.00 C ATOM 1292 CD LYS A 83 -4.684 2.414 14.009 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.796 3.408 14.348 1.00 0.00 C ATOM 1294 NZ LYS A 83 -5.661 3.881 15.743 1.00 0.00 N ATOM 0 H LYS A 83 -3.675 1.919 9.752 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.661 3.173 11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.693 0.978 11.828 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.436 1.290 13.008 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.211 3.708 13.110 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.536 3.288 12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.118 1.438 13.793 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.029 2.288 14.871 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.754 4.256 13.665 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.769 2.935 14.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.424 4.555 15.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.723 3.071 16.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.741 4.350 15.863 1.00 0.00 H new ATOM 1308 N THR A 84 0.245 1.780 10.990 1.00 0.00 N ATOM 1309 CA THR A 84 1.426 0.979 10.714 1.00 0.00 C ATOM 1310 C THR A 84 2.274 0.827 11.979 1.00 0.00 C ATOM 1311 O THR A 84 1.882 1.281 13.052 1.00 0.00 O ATOM 1312 CB THR A 84 2.179 1.632 9.553 1.00 0.00 C ATOM 1313 OG1 THR A 84 1.983 3.029 9.754 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.521 1.355 8.200 1.00 0.00 C ATOM 0 H THR A 84 0.438 2.712 11.356 1.00 0.00 H new ATOM 0 HA THR A 84 1.156 -0.034 10.417 1.00 0.00 H new ATOM 0 HB THR A 84 3.207 1.271 9.538 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.282 3.275 10.654 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.094 1.841 7.410 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.495 0.280 8.021 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.504 1.747 8.203 1.00 0.00 H new ATOM 1322 N THR A 85 3.421 0.185 11.809 1.00 0.00 N ATOM 1323 CA THR A 85 4.327 -0.034 12.924 1.00 0.00 C ATOM 1324 C THR A 85 5.095 1.250 13.247 1.00 0.00 C ATOM 1325 O THR A 85 5.382 1.529 14.409 1.00 0.00 O ATOM 1326 CB THR A 85 5.237 -1.212 12.569 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.668 -0.931 11.240 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.466 -2.528 12.440 1.00 0.00 C ATOM 0 H THR A 85 3.743 -0.190 10.917 1.00 0.00 H new ATOM 0 HA THR A 85 3.782 -0.287 13.833 1.00 0.00 H new ATOM 0 HB THR A 85 6.010 -1.316 13.331 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.310 -1.614 10.953 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.158 -3.332 12.187 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.975 -2.756 13.386 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.716 -2.435 11.655 1.00 0.00 H new ATOM 1336 N ARG A 86 5.404 1.997 12.197 1.00 0.00 N ATOM 1337 CA ARG A 86 6.132 3.244 12.354 1.00 0.00 C ATOM 1338 C ARG A 86 5.240 4.300 13.011 1.00 0.00 C ATOM 1339 O ARG A 86 5.380 4.582 14.201 1.00 0.00 O ATOM 1340 CB ARG A 86 6.622 3.770 11.004 1.00 0.00 C ATOM 1341 CG ARG A 86 8.024 3.246 10.687 1.00 0.00 C ATOM 1342 CD ARG A 86 8.694 4.092 9.603 1.00 0.00 C ATOM 1343 NE ARG A 86 10.087 3.636 9.394 1.00 0.00 N ATOM 1344 CZ ARG A 86 11.035 4.370 8.796 1.00 0.00 C ATOM 1345 NH1 ARG A 86 10.748 5.598 8.345 1.00 0.00 N ATOM 1346 NH2 ARG A 86 12.272 3.874 8.649 1.00 0.00 N ATOM 0 H ARG A 86 5.163 1.762 11.234 1.00 0.00 H new ATOM 0 HA ARG A 86 6.996 3.046 12.989 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.930 3.466 10.219 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.631 4.860 11.016 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.633 3.258 11.591 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.962 2.209 10.358 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.134 4.015 8.671 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.686 5.143 9.893 1.00 0.00 H new ATOM 0 HE ARG A 86 10.341 2.705 9.726 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.807 5.975 8.457 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.470 6.156 7.890 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.491 2.939 8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.994 4.432 8.194 1.00 0.00 H new ATOM 1360 N ARG A 87 4.344 4.855 12.209 1.00 0.00 N ATOM 1361 CA ARG A 87 3.430 5.873 12.697 1.00 0.00 C ATOM 1362 C ARG A 87 2.121 5.835 11.906 1.00 0.00 C ATOM 1363 O ARG A 87 2.017 5.128 10.905 1.00 0.00 O ATOM 1364 CB ARG A 87 4.048 7.268 12.583 1.00 0.00 C ATOM 1365 CG ARG A 87 3.928 7.805 11.155 1.00 0.00 C ATOM 1366 CD ARG A 87 4.754 9.081 10.978 1.00 0.00 C ATOM 1367 NE ARG A 87 6.186 8.794 11.214 1.00 0.00 N ATOM 1368 CZ ARG A 87 6.779 8.861 12.414 1.00 0.00 C ATOM 1369 NH1 ARG A 87 6.065 9.207 13.495 1.00 0.00 N ATOM 1370 NH2 ARG A 87 8.084 8.584 12.533 1.00 0.00 N ATOM 0 H ARG A 87 4.231 4.619 11.223 1.00 0.00 H new ATOM 0 HA ARG A 87 3.229 5.662 13.747 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.550 7.948 13.274 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.098 7.230 12.874 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.266 7.047 10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.882 8.010 10.926 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.615 9.477 9.972 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.409 9.847 11.673 1.00 0.00 H new ATOM 0 HE ARG A 87 6.758 8.528 10.413 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.071 9.419 13.404 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.515 9.258 14.409 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.627 8.322 11.710 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.535 8.635 13.446 1.00 0.00 H new ATOM 1384 N VAL A 88 1.156 6.606 12.384 1.00 0.00 N ATOM 1385 CA VAL A 88 -0.142 6.670 11.734 1.00 0.00 C ATOM 1386 C VAL A 88 -0.070 7.642 10.555 1.00 0.00 C ATOM 1387 O VAL A 88 0.564 8.692 10.649 1.00 0.00 O ATOM 1388 CB VAL A 88 -1.220 7.046 12.753 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.411 7.720 12.068 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.669 5.821 13.553 1.00 0.00 C ATOM 0 H VAL A 88 1.247 7.192 13.214 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.417 5.694 11.335 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.786 7.762 13.451 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.162 7.977 12.815 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.076 8.626 11.564 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.844 7.037 11.337 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.435 6.116 14.270 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.076 5.072 12.874 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.816 5.402 14.086 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.727 7.257 9.471 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.745 8.081 8.274 1.00 0.00 C ATOM 1402 C TYR A 89 -2.157 8.593 7.982 1.00 0.00 C ATOM 1403 O TYR A 89 -3.131 8.092 8.543 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.298 7.171 7.129 1.00 0.00 C ATOM 1405 CG TYR A 89 1.132 6.648 7.271 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.148 7.507 7.636 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.407 5.316 7.036 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.495 7.015 7.770 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.753 4.823 7.170 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.731 5.697 7.531 1.00 0.00 C ATOM 1411 OH TYR A 89 5.002 5.232 7.658 1.00 0.00 O ATOM 0 H TYR A 89 -1.251 6.385 9.396 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.097 8.949 8.396 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.979 6.323 7.066 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.382 7.718 6.190 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.933 8.549 7.821 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.612 4.643 6.751 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.299 7.678 8.054 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.981 3.783 6.988 1.00 0.00 H new ATOM 0 HH TYR A 89 5.021 4.273 7.458 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.224 9.583 7.105 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.500 10.168 6.732 1.00 0.00 C ATOM 1423 C ASN A 90 -3.636 10.154 5.208 1.00 0.00 C ATOM 1424 O ASN A 90 -3.135 11.048 4.528 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.599 11.621 7.201 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.497 11.739 8.434 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.658 12.105 8.355 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -3.897 11.409 9.574 1.00 0.00 N ATOM 0 H ASN A 90 -1.414 9.995 6.641 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.289 9.582 7.203 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.604 12.000 7.434 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.996 12.240 6.397 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.412 11.454 10.453 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.922 11.111 9.569 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.317 9.129 4.716 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.526 8.987 3.285 1.00 0.00 C ATOM 1437 C PHE A 91 -6.010 9.105 2.933 1.00 0.00 C ATOM 1438 O PHE A 91 -6.873 8.843 3.770 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.032 7.591 2.898 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.566 7.331 3.249 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.582 8.030 2.623 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.246 6.401 4.189 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.221 7.788 2.949 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.886 6.159 4.515 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.098 6.858 3.888 1.00 0.00 C ATOM 0 H PHE A 91 -4.731 8.389 5.283 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.990 9.772 2.751 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.652 6.846 3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.168 7.453 1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.835 8.769 1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.027 5.847 4.687 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.560 8.343 2.451 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.633 5.420 5.261 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.133 6.674 4.136 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.262 9.499 1.694 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.627 9.655 1.221 1.00 0.00 C ATOM 1457 C CYS A 92 -7.609 9.649 -0.309 1.00 0.00 C ATOM 1458 O CYS A 92 -6.639 10.090 -0.924 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.278 10.922 1.779 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.425 12.403 1.127 1.00 0.00 S ATOM 0 H CYS A 92 -5.544 9.715 1.003 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.236 8.825 1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.333 10.950 1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.231 10.915 2.868 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.820 13.455 1.781 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.693 9.146 -0.881 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.814 9.077 -2.327 1.00 0.00 C ATOM 1468 C ALA A 93 -9.531 10.330 -2.834 1.00 0.00 C ATOM 1469 O ALA A 93 -9.659 11.314 -2.107 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.542 7.790 -2.718 1.00 0.00 C ATOM 0 H ALA A 93 -9.496 8.782 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.829 9.048 -2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.633 7.739 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.977 6.929 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.536 7.784 -2.270 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.980 10.253 -4.078 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.681 11.368 -4.691 1.00 0.00 C ATOM 1478 C GLN A 94 -12.147 11.004 -4.937 1.00 0.00 C ATOM 1479 O GLN A 94 -12.767 11.508 -5.872 1.00 0.00 O ATOM 1480 CB GLN A 94 -9.998 11.798 -5.991 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.976 12.907 -5.733 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.203 14.092 -6.674 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -9.360 13.943 -7.875 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -9.212 15.273 -6.063 1.00 0.00 N ATOM 0 H GLN A 94 -9.872 9.435 -4.678 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.647 12.214 -4.004 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.502 10.941 -6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.747 12.147 -6.701 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.050 13.241 -4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.968 12.516 -5.871 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.074 15.326 -5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.357 16.126 -6.604 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.657 10.131 -4.081 1.00 0.00 N ATOM 1494 CA ASP A 95 -14.038 9.693 -4.193 1.00 0.00 C ATOM 1495 C ASP A 95 -14.361 8.738 -3.043 1.00 0.00 C ATOM 1496 O ASP A 95 -13.458 8.170 -2.431 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.275 8.947 -5.508 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.536 9.361 -6.269 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -16.401 9.998 -5.629 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -15.607 9.031 -7.472 1.00 0.00 O ATOM 0 H ASP A 95 -12.139 9.715 -3.307 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.675 10.577 -4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.412 9.100 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.330 7.879 -5.297 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.652 8.589 -2.784 1.00 0.00 N ATOM 1506 CA VAL A 96 -16.105 7.712 -1.718 1.00 0.00 C ATOM 1507 C VAL A 96 -15.970 6.256 -2.169 1.00 0.00 C ATOM 1508 O VAL A 96 -15.495 5.409 -1.413 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.532 8.080 -1.308 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.291 6.852 -0.800 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.531 9.196 -0.261 1.00 0.00 C ATOM 0 H VAL A 96 -16.399 9.061 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.484 7.837 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 96 -18.049 8.451 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.303 7.142 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.337 6.101 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.775 6.438 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.558 9.439 0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -16.988 8.864 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -17.047 10.081 -0.673 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.406 6.003 -3.432 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.339 4.664 -3.993 1.00 0.00 C ATOM 1523 C PRO A 97 -14.903 4.304 -4.380 1.00 0.00 C ATOM 1524 O PRO A 97 -14.586 3.132 -4.582 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.286 4.687 -5.181 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.493 6.154 -5.521 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.974 6.980 -4.356 1.00 0.00 C ATOM 0 HA PRO A 97 -16.635 3.894 -3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.864 4.146 -6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.233 4.206 -4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.963 6.412 -6.438 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.549 6.360 -5.695 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.223 7.698 -4.684 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.776 7.550 -3.886 1.00 0.00 H new ATOM 1535 N SER A 98 -14.073 5.332 -4.472 1.00 0.00 N ATOM 1536 CA SER A 98 -12.678 5.139 -4.831 1.00 0.00 C ATOM 1537 C SER A 98 -11.852 4.838 -3.579 1.00 0.00 C ATOM 1538 O SER A 98 -10.893 4.070 -3.634 1.00 0.00 O ATOM 1539 CB SER A 98 -12.120 6.367 -5.553 1.00 0.00 C ATOM 1540 OG SER A 98 -12.924 6.742 -6.669 1.00 0.00 O ATOM 0 H SER A 98 -14.340 6.302 -4.304 1.00 0.00 H new ATOM 0 HA SER A 98 -12.615 4.291 -5.513 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.058 7.201 -4.854 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.105 6.159 -5.891 1.00 0.00 H new ATOM 0 HG SER A 98 -12.457 7.425 -7.194 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.255 5.459 -2.480 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.564 5.267 -1.217 1.00 0.00 C ATOM 1548 C ALA A 99 -11.864 3.865 -0.683 1.00 0.00 C ATOM 1549 O ALA A 99 -10.949 3.119 -0.339 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.979 6.366 -0.236 1.00 0.00 C ATOM 0 H ALA A 99 -13.051 6.095 -2.438 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.485 5.343 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.461 6.222 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.717 7.340 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.056 6.319 -0.072 1.00 0.00 H new ATOM 1556 N GLN A 100 -13.150 3.549 -0.632 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.583 2.250 -0.146 1.00 0.00 C ATOM 1558 C GLN A 100 -12.748 1.139 -0.786 1.00 0.00 C ATOM 1559 O GLN A 100 -12.407 0.157 -0.129 1.00 0.00 O ATOM 1560 CB GLN A 100 -15.074 2.035 -0.409 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.916 3.092 0.309 1.00 0.00 C ATOM 1562 CD GLN A 100 -16.588 2.506 1.552 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -16.089 1.591 2.186 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -17.745 3.083 1.865 1.00 0.00 N ATOM 0 H GLN A 100 -13.906 4.170 -0.919 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.430 2.218 0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.268 2.077 -1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.367 1.041 -0.071 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.284 3.933 0.595 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.675 3.480 -0.370 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.107 3.845 1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -18.271 2.763 2.679 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.442 1.332 -2.061 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.653 0.359 -2.797 1.00 0.00 C ATOM 1575 C GLN A 101 -10.235 0.285 -2.227 1.00 0.00 C ATOM 1576 O GLN A 101 -9.647 -0.793 -2.156 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.627 0.691 -4.290 1.00 0.00 C ATOM 1578 CG GLN A 101 -12.960 0.337 -4.954 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.756 -0.057 -6.418 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -11.747 0.245 -7.034 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -13.767 -0.745 -6.939 1.00 0.00 N ATOM 0 H GLN A 101 -12.726 2.148 -2.603 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.121 -0.619 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.419 1.752 -4.427 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.819 0.143 -4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.432 -0.485 -4.415 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.638 1.189 -4.894 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.583 -0.964 -6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.727 -1.054 -7.910 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.728 1.444 -1.835 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.390 1.524 -1.274 1.00 0.00 C ATOM 1592 C TRP A 102 -8.370 0.706 0.019 1.00 0.00 C ATOM 1593 O TRP A 102 -7.549 -0.196 0.174 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.968 2.980 -1.066 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.331 3.625 -2.299 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.879 4.511 -3.142 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.995 3.397 -2.795 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.997 4.869 -4.142 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.816 4.171 -3.924 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.973 2.566 -2.306 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.624 4.189 -4.659 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.788 2.595 -3.052 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.591 3.368 -4.190 1.00 0.00 C ATOM 0 H TRP A 102 -10.220 2.336 -1.895 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.657 1.104 -1.964 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.842 3.563 -0.774 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.261 3.028 -0.237 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.884 4.896 -3.051 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.179 5.525 -4.901 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.092 1.953 -1.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.508 4.803 -5.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.970 1.973 -2.720 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.645 3.336 -4.710 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.285 1.050 0.914 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.382 0.359 2.188 1.00 0.00 C ATOM 1616 C VAL A 103 -9.476 -1.147 1.940 1.00 0.00 C ATOM 1617 O VAL A 103 -8.571 -1.898 2.302 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.563 0.908 2.992 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.840 0.040 4.221 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.324 2.365 3.392 1.00 0.00 C ATOM 0 H VAL A 103 -9.966 1.798 0.782 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.489 0.534 2.787 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.446 0.877 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.684 0.452 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -11.076 -0.976 3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.958 0.025 4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.178 2.731 3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.424 2.432 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.199 2.973 2.496 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.580 -1.546 1.325 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.805 -2.950 1.025 1.00 0.00 C ATOM 1632 C ASP A 104 -9.494 -3.581 0.553 1.00 0.00 C ATOM 1633 O ASP A 104 -9.119 -4.660 1.011 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.838 -3.116 -0.091 1.00 0.00 C ATOM 1635 CG ASP A 104 -13.023 -4.021 0.255 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -13.127 -4.390 1.444 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -13.797 -4.323 -0.679 1.00 0.00 O ATOM 0 H ASP A 104 -11.329 -0.921 1.026 1.00 0.00 H new ATOM 0 HA ASP A 104 -11.171 -3.434 1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.219 -2.132 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.338 -3.518 -0.972 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.832 -2.883 -0.358 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.570 -3.362 -0.898 1.00 0.00 C ATOM 1644 C ARG A 105 -6.547 -3.543 0.225 1.00 0.00 C ATOM 1645 O ARG A 105 -6.117 -4.661 0.504 1.00 0.00 O ATOM 1646 CB ARG A 105 -7.010 -2.389 -1.937 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.406 -2.811 -3.353 1.00 0.00 C ATOM 1648 CD ARG A 105 -6.587 -2.053 -4.400 1.00 0.00 C ATOM 1649 NE ARG A 105 -5.600 -2.962 -5.026 1.00 0.00 N ATOM 1650 CZ ARG A 105 -5.925 -4.070 -5.705 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -7.212 -4.413 -5.852 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -4.963 -4.835 -6.239 1.00 0.00 N ATOM 0 H ARG A 105 -9.146 -1.989 -0.736 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.759 -4.321 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.381 -1.384 -1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.924 -2.350 -1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -7.253 -3.884 -3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.468 -2.621 -3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -7.248 -1.640 -5.162 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -6.074 -1.212 -3.933 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.611 -2.730 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -7.945 -3.830 -5.447 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -7.459 -5.257 -6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -3.983 -4.574 -6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -5.210 -5.679 -6.756 1.00 0.00 H new ATOM 1666 N ILE A 106 -6.187 -2.425 0.840 1.00 0.00 N ATOM 1667 CA ILE A 106 -5.222 -2.446 1.926 1.00 0.00 C ATOM 1668 C ILE A 106 -5.650 -3.488 2.962 1.00 0.00 C ATOM 1669 O ILE A 106 -4.882 -4.389 3.296 1.00 0.00 O ATOM 1670 CB ILE A 106 -5.037 -1.042 2.505 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.383 -0.110 1.484 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -4.257 -1.090 3.820 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.932 1.313 1.609 1.00 0.00 C ATOM 0 H ILE A 106 -6.546 -1.499 0.607 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.240 -2.746 1.559 1.00 0.00 H new ATOM 0 HB ILE A 106 -6.022 -0.632 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.303 -0.101 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.562 -0.485 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.139 -0.079 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.801 -1.697 4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.274 -1.528 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.450 1.955 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.008 1.304 1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.729 1.695 2.610 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.875 -3.329 3.443 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.414 -4.244 4.434 1.00 0.00 C ATOM 1687 C GLN A 107 -7.343 -5.684 3.922 1.00 0.00 C ATOM 1688 O GLN A 107 -7.237 -6.623 4.709 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.848 -3.865 4.808 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.881 -3.055 6.105 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.203 -3.952 7.303 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.176 -5.169 7.225 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -9.508 -3.284 8.412 1.00 0.00 N ATOM 0 H GLN A 107 -7.509 -2.580 3.164 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.807 -4.170 5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.297 -3.285 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.448 -4.768 4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.918 -2.568 6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.628 -2.265 6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.512 -2.264 8.408 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.738 -3.792 9.266 1.00 0.00 H new ATOM 1702 N SER A 108 -7.404 -5.813 2.604 1.00 0.00 N ATOM 1703 CA SER A 108 -7.348 -7.123 1.977 1.00 0.00 C ATOM 1704 C SER A 108 -5.898 -7.606 1.903 1.00 0.00 C ATOM 1705 O SER A 108 -5.638 -8.739 1.502 1.00 0.00 O ATOM 1706 CB SER A 108 -7.969 -7.091 0.579 1.00 0.00 C ATOM 1707 OG SER A 108 -7.847 -8.344 -0.088 1.00 0.00 O ATOM 0 H SER A 108 -7.492 -5.032 1.954 1.00 0.00 H new ATOM 0 HA SER A 108 -7.925 -7.819 2.586 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.023 -6.823 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.485 -6.316 -0.015 1.00 0.00 H new ATOM 0 HG SER A 108 -7.087 -8.839 0.283 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.993 -6.722 2.296 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.576 -7.044 2.280 1.00 0.00 C ATOM 1715 C CYS A 109 -2.935 -6.458 3.539 1.00 0.00 C ATOM 1716 O CYS A 109 -2.081 -5.577 3.452 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.896 -6.540 1.005 1.00 0.00 C ATOM 1718 SG CYS A 109 -2.963 -7.828 -0.292 1.00 0.00 S ATOM 0 H CYS A 109 -5.213 -5.783 2.627 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.447 -8.126 2.279 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -3.389 -5.633 0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.859 -6.278 1.215 1.00 0.00 H new ATOM 0 HG CYS A 109 -3.965 -8.624 -0.062 1.00 0.00 H new ATOM 1724 N LEU A 110 -3.372 -6.970 4.680 1.00 0.00 N ATOM 1725 CA LEU A 110 -2.851 -6.509 5.956 1.00 0.00 C ATOM 1726 C LEU A 110 -1.726 -7.440 6.410 1.00 0.00 C ATOM 1727 O LEU A 110 -0.637 -7.429 5.839 1.00 0.00 O ATOM 1728 CB LEU A 110 -3.982 -6.367 6.976 1.00 0.00 C ATOM 1729 CG LEU A 110 -5.071 -5.348 6.634 1.00 0.00 C ATOM 1730 CD1 LEU A 110 -6.181 -5.356 7.687 1.00 0.00 C ATOM 1731 CD2 LEU A 110 -4.475 -3.952 6.440 1.00 0.00 C ATOM 0 H LEU A 110 -4.081 -7.700 4.748 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.418 -5.514 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.452 -7.342 7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.546 -6.094 7.937 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.525 -5.639 5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.942 -4.623 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.632 -6.347 7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.761 -5.104 8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.270 -3.247 6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.979 -3.638 7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.751 -3.976 5.626 1.00 0.00 H new ATOM 1743 N SER A 111 -2.028 -8.226 7.434 1.00 0.00 N ATOM 1744 CA SER A 111 -1.056 -9.162 7.971 1.00 0.00 C ATOM 1745 C SER A 111 -1.597 -10.590 7.878 1.00 0.00 C ATOM 1746 O SER A 111 -2.745 -10.847 8.237 1.00 0.00 O ATOM 1747 CB SER A 111 -0.706 -8.821 9.421 1.00 0.00 C ATOM 1748 OG SER A 111 0.607 -8.280 9.540 1.00 0.00 O ATOM 0 H SER A 111 -2.932 -8.233 7.905 1.00 0.00 H new ATOM 0 HA SER A 111 -0.145 -9.086 7.378 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.430 -8.105 9.810 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.785 -9.719 10.034 1.00 0.00 H new ATOM 0 HG SER A 111 0.792 -8.074 10.480 1.00 0.00 H new ATOM 1754 N SER A 112 -0.745 -11.481 7.394 1.00 0.00 N ATOM 1755 CA SER A 112 -1.124 -12.877 7.248 1.00 0.00 C ATOM 1756 C SER A 112 -1.254 -13.529 8.626 1.00 0.00 C ATOM 1757 O SER A 112 -2.297 -14.095 8.952 1.00 0.00 O ATOM 1758 CB SER A 112 -0.107 -13.637 6.395 1.00 0.00 C ATOM 1759 OG SER A 112 -0.601 -14.909 5.983 1.00 0.00 O ATOM 0 H SER A 112 0.207 -11.264 7.098 1.00 0.00 H new ATOM 0 HA SER A 112 -2.087 -12.920 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.145 -13.044 5.516 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.814 -13.772 6.963 1.00 0.00 H new ATOM 0 HG SER A 112 0.076 -15.363 5.439 1.00 0.00 H new ATOM 1765 N GLY A 113 -0.182 -13.429 9.397 1.00 0.00 N ATOM 1766 CA GLY A 113 -0.164 -14.003 10.732 1.00 0.00 C ATOM 1767 C GLY A 113 0.476 -13.040 11.734 1.00 0.00 C ATOM 1768 O GLY A 113 1.249 -12.163 11.351 1.00 0.00 O ATOM 0 H GLY A 113 0.681 -12.959 9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.182 -14.236 11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.389 -14.942 10.721 1.00 0.00 H new ATOM 1772 N PRO A 114 0.120 -13.240 13.031 1.00 0.00 N ATOM 1773 CA PRO A 114 0.650 -12.399 14.091 1.00 0.00 C ATOM 1774 C PRO A 114 2.105 -12.758 14.399 1.00 0.00 C ATOM 1775 O PRO A 114 2.374 -13.574 15.280 1.00 0.00 O ATOM 1776 CB PRO A 114 -0.280 -12.623 15.273 1.00 0.00 C ATOM 1777 CG PRO A 114 -1.015 -13.922 14.985 1.00 0.00 C ATOM 1778 CD PRO A 114 -0.794 -14.268 13.522 1.00 0.00 C ATOM 0 HA PRO A 114 0.678 -11.344 13.817 1.00 0.00 H new ATOM 0 HB2 PRO A 114 0.282 -12.690 16.205 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.980 -11.794 15.382 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -0.644 -14.721 15.627 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -2.079 -13.813 15.195 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -0.366 -15.264 13.411 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -1.732 -14.261 12.967 1.00 0.00 H new ATOM 1786 N SER A 115 3.006 -12.131 13.656 1.00 0.00 N ATOM 1787 CA SER A 115 4.426 -12.374 13.839 1.00 0.00 C ATOM 1788 C SER A 115 5.090 -11.148 14.469 1.00 0.00 C ATOM 1789 O SER A 115 4.775 -10.014 14.111 1.00 0.00 O ATOM 1790 CB SER A 115 5.101 -12.719 12.510 1.00 0.00 C ATOM 1791 OG SER A 115 6.282 -13.495 12.697 1.00 0.00 O ATOM 0 H SER A 115 2.779 -11.455 12.926 1.00 0.00 H new ATOM 0 HA SER A 115 4.544 -13.227 14.508 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.402 -13.269 11.880 1.00 0.00 H new ATOM 0 HB3 SER A 115 5.351 -11.799 11.981 1.00 0.00 H new ATOM 0 HG SER A 115 6.683 -13.696 11.826 1.00 0.00 H new ATOM 1797 N SER A 116 5.998 -11.416 15.396 1.00 0.00 N ATOM 1798 CA SER A 116 6.709 -10.349 16.079 1.00 0.00 C ATOM 1799 C SER A 116 5.716 -9.441 16.807 1.00 0.00 C ATOM 1800 O SER A 116 4.514 -9.497 16.550 1.00 0.00 O ATOM 1801 CB SER A 116 7.552 -9.533 15.097 1.00 0.00 C ATOM 1802 OG SER A 116 8.945 -9.792 15.246 1.00 0.00 O ATOM 0 H SER A 116 6.258 -12.358 15.690 1.00 0.00 H new ATOM 0 HA SER A 116 7.383 -10.799 16.808 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.247 -9.766 14.077 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.362 -8.471 15.252 1.00 0.00 H new ATOM 0 HG SER A 116 9.449 -9.254 14.600 1.00 0.00 H new ATOM 1808 N GLY A 117 6.255 -8.626 17.702 1.00 0.00 N ATOM 1809 CA GLY A 117 5.431 -7.707 18.469 1.00 0.00 C ATOM 1810 C GLY A 117 6.269 -6.952 19.503 1.00 0.00 C ATOM 1811 O GLY A 117 6.178 -7.225 20.699 1.00 0.00 O ATOM 0 H GLY A 117 7.252 -8.583 17.913 1.00 0.00 H new ATOM 0 HA2 GLY A 117 4.950 -6.997 17.797 1.00 0.00 H new ATOM 0 HA3 GLY A 117 4.636 -8.258 18.972 1.00 0.00 H new TER 1815 GLY A 117