USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 905 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.134 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0411 USER MOD Single : A 3 HIS : no HE2:sc= 0.518 K(o=0.52,f=-2.3!) USER MOD Single : A 4 MET CE :methyl -174:sc=-0.00568 (180deg=-0.0383) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -4! K(o=-4!,f=-1.8) USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 14 HIS : no HD1:sc= -9.6! C(o=-9.6!,f=-6.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.564) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00805 USER MOD Single : A 43 TYR OH : rot 110:sc= -2.72! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.695 K(o=-0.69,f=-1.7) USER MOD Single : A 58 THR OG1 : rot -63:sc= 1.16 USER MOD Single : A 62 GLN : amide:sc= -0.0772 X(o=-0.077,f=-0.55) USER MOD Single : A 63 ASN : amide:sc= -1! C(o=-1!,f=-5!) USER MOD Single : A 64 GLN : amide:sc= -2.7! K(o=-2.7!,f=-1.8) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 16:sc= -0.642 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -128:sc= 0.0536 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.315 36.304 -14.564 1.00 0.00 N ATOM 2 CA GLY A 1 7.591 35.297 -15.390 1.00 0.00 C ATOM 3 C GLY A 1 8.296 33.943 -15.281 1.00 0.00 C ATOM 4 O GLY A 1 9.385 33.842 -14.754 1.00 0.00 O ATOM 0 H1 GLY A 1 7.702 36.620 -13.786 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.178 35.876 -14.173 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.571 37.120 -15.156 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.558 35.209 -15.052 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.560 35.620 -16.431 1.00 0.00 H new ATOM 10 N SER A 2 7.683 32.903 -15.778 1.00 0.00 N ATOM 11 CA SER A 2 8.318 31.555 -15.705 1.00 0.00 C ATOM 12 C SER A 2 8.779 31.261 -14.275 1.00 0.00 C ATOM 13 O SER A 2 9.854 30.739 -14.054 1.00 0.00 O ATOM 14 CB SER A 2 9.518 31.630 -16.647 1.00 0.00 C ATOM 15 OG SER A 2 9.230 32.533 -17.706 1.00 0.00 O ATOM 0 H SER A 2 6.770 32.928 -16.232 1.00 0.00 H new ATOM 0 HA SER A 2 7.627 30.760 -15.986 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.402 31.961 -16.102 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.742 30.641 -17.048 1.00 0.00 H new ATOM 0 HG SER A 2 9.999 32.584 -18.311 1.00 0.00 H new ATOM 21 N HIS A 3 7.975 31.589 -13.302 1.00 0.00 N ATOM 22 CA HIS A 3 8.370 31.326 -11.889 1.00 0.00 C ATOM 23 C HIS A 3 7.195 31.608 -10.951 1.00 0.00 C ATOM 24 O HIS A 3 6.793 32.739 -10.766 1.00 0.00 O ATOM 25 CB HIS A 3 9.524 32.290 -11.615 1.00 0.00 C ATOM 26 CG HIS A 3 10.695 31.526 -11.065 1.00 0.00 C ATOM 27 ND1 HIS A 3 11.506 30.737 -11.866 1.00 0.00 N ATOM 28 CD2 HIS A 3 11.206 31.418 -9.796 1.00 0.00 C ATOM 29 CE1 HIS A 3 12.453 30.197 -11.079 1.00 0.00 C ATOM 30 NE2 HIS A 3 12.317 30.579 -9.806 1.00 0.00 N ATOM 0 H HIS A 3 7.062 32.027 -13.424 1.00 0.00 H new ATOM 0 HA HIS A 3 8.661 30.288 -11.726 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.810 32.803 -12.534 1.00 0.00 H new ATOM 0 HB3 HIS A 3 9.211 33.057 -10.906 1.00 0.00 H new ATOM 0 HD1 HIS A 3 11.403 30.592 -12.870 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.807 31.910 -8.921 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.229 29.535 -11.433 1.00 0.00 H new ATOM 38 N MET A 4 6.640 30.585 -10.361 1.00 0.00 N ATOM 39 CA MET A 4 5.487 30.786 -9.436 1.00 0.00 C ATOM 40 C MET A 4 4.299 31.389 -10.190 1.00 0.00 C ATOM 41 O MET A 4 4.459 32.066 -11.186 1.00 0.00 O ATOM 42 CB MET A 4 5.994 31.755 -8.367 1.00 0.00 C ATOM 43 CG MET A 4 5.002 31.791 -7.205 1.00 0.00 C ATOM 44 SD MET A 4 5.759 32.624 -5.789 1.00 0.00 S ATOM 45 CE MET A 4 4.227 33.231 -5.040 1.00 0.00 C ATOM 0 H MET A 4 6.936 29.616 -10.480 1.00 0.00 H new ATOM 0 HA MET A 4 5.142 29.848 -9.001 1.00 0.00 H new ATOM 0 HB2 MET A 4 6.976 31.442 -8.012 1.00 0.00 H new ATOM 0 HB3 MET A 4 6.112 32.752 -8.791 1.00 0.00 H new ATOM 0 HG2 MET A 4 4.094 32.314 -7.505 1.00 0.00 H new ATOM 0 HG3 MET A 4 4.710 30.777 -6.931 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.466 33.875 -4.194 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.661 33.798 -5.779 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.631 32.386 -4.696 1.00 0.00 H new ATOM 55 N GLN A 5 3.107 31.144 -9.720 1.00 0.00 N ATOM 56 CA GLN A 5 1.904 31.700 -10.403 1.00 0.00 C ATOM 57 C GLN A 5 0.992 32.379 -9.379 1.00 0.00 C ATOM 58 O GLN A 5 1.243 32.345 -8.190 1.00 0.00 O ATOM 59 CB GLN A 5 1.204 30.486 -11.016 1.00 0.00 C ATOM 60 CG GLN A 5 1.559 30.377 -12.500 1.00 0.00 C ATOM 61 CD GLN A 5 0.298 30.047 -13.303 1.00 0.00 C ATOM 62 OE1 GLN A 5 -0.493 30.922 -13.596 1.00 0.00 O ATOM 63 NE2 GLN A 5 0.072 28.814 -13.672 1.00 0.00 N ATOM 0 H GLN A 5 2.913 30.582 -8.891 1.00 0.00 H new ATOM 0 HA GLN A 5 2.159 32.447 -11.154 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.506 29.578 -10.493 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.125 30.579 -10.897 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.992 31.314 -12.851 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.311 29.602 -12.649 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.735 28.079 -13.427 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.767 28.587 -14.205 1.00 0.00 H new ATOM 72 N VAL A 6 -0.069 32.987 -9.828 1.00 0.00 N ATOM 73 CA VAL A 6 -0.999 33.656 -8.876 1.00 0.00 C ATOM 74 C VAL A 6 -2.081 32.665 -8.438 1.00 0.00 C ATOM 75 O VAL A 6 -2.526 31.848 -9.218 1.00 0.00 O ATOM 76 CB VAL A 6 -1.604 34.815 -9.672 1.00 0.00 C ATOM 77 CG1 VAL A 6 -2.888 35.296 -8.992 1.00 0.00 C ATOM 78 CG2 VAL A 6 -0.597 35.965 -9.735 1.00 0.00 C ATOM 0 H VAL A 6 -0.333 33.050 -10.811 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.504 34.008 -7.971 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.839 34.477 -10.681 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.315 36.121 -9.562 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.605 34.476 -8.948 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.660 35.634 -7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.025 36.792 -10.301 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.363 36.300 -8.724 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.315 35.623 -10.224 1.00 0.00 H new ATOM 88 N VAL A 7 -2.499 32.724 -7.198 1.00 0.00 N ATOM 89 CA VAL A 7 -3.547 31.775 -6.717 1.00 0.00 C ATOM 90 C VAL A 7 -4.605 31.567 -7.801 1.00 0.00 C ATOM 91 O VAL A 7 -5.532 32.340 -7.936 1.00 0.00 O ATOM 92 CB VAL A 7 -4.165 32.441 -5.488 1.00 0.00 C ATOM 93 CG1 VAL A 7 -5.177 31.484 -4.851 1.00 0.00 C ATOM 94 CG2 VAL A 7 -3.064 32.767 -4.477 1.00 0.00 C ATOM 0 H VAL A 7 -2.160 33.387 -6.501 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.133 30.795 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.668 33.361 -5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.621 31.955 -3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.960 31.250 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.671 30.565 -4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.504 33.242 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.561 31.847 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.341 33.444 -4.932 1.00 0.00 H new ATOM 104 N LEU A 8 -4.462 30.534 -8.582 1.00 0.00 N ATOM 105 CA LEU A 8 -5.450 30.279 -9.665 1.00 0.00 C ATOM 106 C LEU A 8 -6.873 30.444 -9.130 1.00 0.00 C ATOM 107 O LEU A 8 -7.086 30.498 -7.935 1.00 0.00 O ATOM 108 CB LEU A 8 -5.192 28.836 -10.103 1.00 0.00 C ATOM 109 CG LEU A 8 -4.433 28.822 -11.437 1.00 0.00 C ATOM 110 CD1 LEU A 8 -3.358 29.913 -11.445 1.00 0.00 C ATOM 111 CD2 LEU A 8 -3.768 27.458 -11.625 1.00 0.00 C ATOM 0 H LEU A 8 -3.703 29.855 -8.517 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.347 30.976 -10.496 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.614 28.313 -9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.138 28.304 -10.207 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.136 29.009 -12.248 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.826 29.893 -12.396 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.828 30.888 -11.312 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.654 29.736 -10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.228 27.444 -12.572 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.071 27.277 -10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.531 26.679 -11.631 1.00 0.00 H new ATOM 123 N PRO A 9 -7.799 30.529 -10.043 1.00 0.00 N ATOM 124 CA PRO A 9 -9.224 30.704 -9.670 1.00 0.00 C ATOM 125 C PRO A 9 -9.793 29.407 -9.088 1.00 0.00 C ATOM 126 O PRO A 9 -10.302 29.383 -7.986 1.00 0.00 O ATOM 127 CB PRO A 9 -9.899 31.048 -10.994 1.00 0.00 C ATOM 128 CG PRO A 9 -9.011 30.460 -12.044 1.00 0.00 C ATOM 129 CD PRO A 9 -7.609 30.470 -11.496 1.00 0.00 C ATOM 0 HA PRO A 9 -9.375 31.467 -8.907 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.904 30.628 -11.046 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.997 32.126 -11.119 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.322 29.444 -12.287 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.068 31.040 -12.965 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.058 29.577 -11.791 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.044 31.328 -11.860 1.00 0.00 H new ATOM 137 N ASN A 10 -9.717 28.328 -9.819 1.00 0.00 N ATOM 138 CA ASN A 10 -10.262 27.043 -9.300 1.00 0.00 C ATOM 139 C ASN A 10 -9.781 25.868 -10.158 1.00 0.00 C ATOM 140 O ASN A 10 -10.423 24.841 -10.230 1.00 0.00 O ATOM 141 CB ASN A 10 -11.780 27.193 -9.402 1.00 0.00 C ATOM 142 CG ASN A 10 -12.374 27.361 -8.002 1.00 0.00 C ATOM 143 OD1 ASN A 10 -13.269 28.157 -7.800 1.00 0.00 O ATOM 144 ND2 ASN A 10 -11.913 26.636 -7.019 1.00 0.00 N ATOM 0 H ASN A 10 -9.302 28.281 -10.750 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.935 26.840 -8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.030 28.056 -10.020 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.210 26.317 -9.888 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -12.304 26.738 -6.083 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.161 25.967 -7.187 1.00 0.00 H new ATOM 151 N THR A 11 -8.657 26.008 -10.804 1.00 0.00 N ATOM 152 CA THR A 11 -8.140 24.895 -11.658 1.00 0.00 C ATOM 153 C THR A 11 -6.998 24.181 -10.936 1.00 0.00 C ATOM 154 O THR A 11 -6.545 24.621 -9.900 1.00 0.00 O ATOM 155 CB THR A 11 -7.634 25.570 -12.935 1.00 0.00 C ATOM 156 OG1 THR A 11 -6.357 26.143 -12.691 1.00 0.00 O ATOM 157 CG2 THR A 11 -8.612 26.664 -13.365 1.00 0.00 C ATOM 0 H THR A 11 -8.072 26.843 -10.779 1.00 0.00 H new ATOM 0 HA THR A 11 -8.902 24.147 -11.876 1.00 0.00 H new ATOM 0 HB THR A 11 -7.556 24.828 -13.729 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.030 26.574 -13.508 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.247 27.141 -14.274 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.591 26.223 -13.554 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.696 27.408 -12.573 1.00 0.00 H new ATOM 165 N ALA A 12 -6.529 23.077 -11.458 1.00 0.00 N ATOM 166 CA ALA A 12 -5.421 22.358 -10.760 1.00 0.00 C ATOM 167 C ALA A 12 -4.425 21.791 -11.770 1.00 0.00 C ATOM 168 O ALA A 12 -4.734 21.624 -12.928 1.00 0.00 O ATOM 169 CB ALA A 12 -6.104 21.228 -9.991 1.00 0.00 C ATOM 0 H ALA A 12 -6.858 22.648 -12.323 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.857 23.020 -10.103 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.354 20.651 -9.450 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.818 21.649 -9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.628 20.576 -10.691 1.00 0.00 H new ATOM 175 N LEU A 13 -3.232 21.488 -11.341 1.00 0.00 N ATOM 176 CA LEU A 13 -2.228 20.926 -12.293 1.00 0.00 C ATOM 177 C LEU A 13 -1.607 19.651 -11.706 1.00 0.00 C ATOM 178 O LEU A 13 -1.588 19.452 -10.506 1.00 0.00 O ATOM 179 CB LEU A 13 -1.196 22.056 -12.501 1.00 0.00 C ATOM 180 CG LEU A 13 0.125 21.763 -11.774 1.00 0.00 C ATOM 181 CD1 LEU A 13 1.218 22.691 -12.305 1.00 0.00 C ATOM 182 CD2 LEU A 13 -0.056 22.009 -10.278 1.00 0.00 C ATOM 0 H LEU A 13 -2.908 21.603 -10.381 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.660 20.627 -13.248 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.004 22.182 -13.567 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.609 22.997 -12.138 1.00 0.00 H new ATOM 0 HG LEU A 13 0.410 20.725 -11.946 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.155 22.482 -11.789 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.348 22.525 -13.374 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.931 23.728 -12.131 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.880 21.802 -9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.341 23.048 -10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.837 21.353 -9.893 1.00 0.00 H new ATOM 194 N HIS A 14 -1.114 18.780 -12.546 1.00 0.00 N ATOM 195 CA HIS A 14 -0.512 17.515 -12.039 1.00 0.00 C ATOM 196 C HIS A 14 0.996 17.687 -11.838 1.00 0.00 C ATOM 197 O HIS A 14 1.711 18.083 -12.737 1.00 0.00 O ATOM 198 CB HIS A 14 -0.781 16.465 -13.122 1.00 0.00 C ATOM 199 CG HIS A 14 -2.235 16.467 -13.526 1.00 0.00 C ATOM 200 ND1 HIS A 14 -2.801 15.407 -14.219 1.00 0.00 N ATOM 201 CD2 HIS A 14 -3.248 17.381 -13.355 1.00 0.00 C ATOM 202 CE1 HIS A 14 -4.094 15.707 -14.438 1.00 0.00 C ATOM 203 NE2 HIS A 14 -4.418 16.899 -13.932 1.00 0.00 N ATOM 0 H HIS A 14 -1.103 18.891 -13.560 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.937 17.225 -11.078 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.157 16.667 -13.993 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.503 15.477 -12.753 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.150 18.330 -12.849 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.786 15.062 -14.960 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.328 17.358 -13.962 1.00 0.00 H new ATOM 211 N LEU A 15 1.485 17.382 -10.667 1.00 0.00 N ATOM 212 CA LEU A 15 2.947 17.515 -10.406 1.00 0.00 C ATOM 213 C LEU A 15 3.563 16.130 -10.212 1.00 0.00 C ATOM 214 O LEU A 15 2.910 15.217 -9.747 1.00 0.00 O ATOM 215 CB LEU A 15 3.060 18.296 -9.096 1.00 0.00 C ATOM 216 CG LEU A 15 2.475 19.695 -9.260 1.00 0.00 C ATOM 217 CD1 LEU A 15 2.988 20.320 -10.558 1.00 0.00 C ATOM 218 CD2 LEU A 15 0.951 19.602 -9.299 1.00 0.00 C ATOM 0 H LEU A 15 0.934 17.046 -9.878 1.00 0.00 H new ATOM 0 HA LEU A 15 3.461 18.009 -11.231 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.534 17.766 -8.302 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.105 18.365 -8.795 1.00 0.00 H new ATOM 0 HG LEU A 15 2.780 20.319 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.568 21.319 -10.672 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.076 20.385 -10.525 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.687 19.702 -11.404 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.528 20.600 -9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.646 18.978 -10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.589 19.162 -8.370 1.00 0.00 H new ATOM 230 N LYS A 16 4.815 15.964 -10.530 1.00 0.00 N ATOM 231 CA LYS A 16 5.446 14.635 -10.313 1.00 0.00 C ATOM 232 C LYS A 16 6.614 14.782 -9.342 1.00 0.00 C ATOM 233 O LYS A 16 7.580 15.468 -9.614 1.00 0.00 O ATOM 234 CB LYS A 16 5.941 14.163 -11.677 1.00 0.00 C ATOM 235 CG LYS A 16 6.446 12.726 -11.553 1.00 0.00 C ATOM 236 CD LYS A 16 7.663 12.533 -12.458 1.00 0.00 C ATOM 237 CE LYS A 16 7.231 11.859 -13.761 1.00 0.00 C ATOM 238 NZ LYS A 16 8.474 11.774 -14.576 1.00 0.00 N ATOM 0 H LYS A 16 5.422 16.681 -10.926 1.00 0.00 H new ATOM 0 HA LYS A 16 4.744 13.917 -9.888 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.135 14.217 -12.409 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.740 14.813 -12.033 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.711 12.511 -10.518 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.658 12.027 -11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.127 13.496 -12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.412 11.924 -11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.812 10.870 -13.575 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.463 12.440 -14.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.261 11.322 -15.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.846 12.731 -14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.184 11.210 -14.068 1.00 0.00 H new ATOM 252 N ALA A 17 6.531 14.152 -8.206 1.00 0.00 N ATOM 253 CA ALA A 17 7.630 14.268 -7.214 1.00 0.00 C ATOM 254 C ALA A 17 8.806 13.377 -7.617 1.00 0.00 C ATOM 255 O ALA A 17 8.678 12.172 -7.738 1.00 0.00 O ATOM 256 CB ALA A 17 7.021 13.808 -5.891 1.00 0.00 C ATOM 0 H ALA A 17 5.749 13.562 -7.922 1.00 0.00 H new ATOM 0 HA ALA A 17 8.020 15.283 -7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.774 13.865 -5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.179 14.451 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.675 12.779 -5.988 1.00 0.00 H new ATOM 262 N LEU A 18 9.952 13.968 -7.823 1.00 0.00 N ATOM 263 CA LEU A 18 11.149 13.173 -8.214 1.00 0.00 C ATOM 264 C LEU A 18 12.026 12.921 -6.985 1.00 0.00 C ATOM 265 O LEU A 18 12.755 13.787 -6.544 1.00 0.00 O ATOM 266 CB LEU A 18 11.890 14.043 -9.232 1.00 0.00 C ATOM 267 CG LEU A 18 11.892 13.350 -10.597 1.00 0.00 C ATOM 268 CD1 LEU A 18 12.589 11.993 -10.484 1.00 0.00 C ATOM 269 CD2 LEU A 18 10.450 13.144 -11.062 1.00 0.00 C ATOM 0 H LEU A 18 10.110 14.972 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 18 10.886 12.200 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.410 15.019 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.914 14.217 -8.900 1.00 0.00 H new ATOM 0 HG LEU A 18 12.425 13.970 -11.318 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.589 11.502 -11.457 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.617 12.138 -10.151 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.059 11.370 -9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.448 12.651 -12.034 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.920 12.524 -10.339 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.953 14.110 -11.145 1.00 0.00 H new ATOM 281 N LEU A 19 11.956 11.745 -6.427 1.00 0.00 N ATOM 282 CA LEU A 19 12.783 11.443 -5.224 1.00 0.00 C ATOM 283 C LEU A 19 12.943 9.929 -5.064 1.00 0.00 C ATOM 284 O LEU A 19 12.023 9.170 -5.296 1.00 0.00 O ATOM 285 CB LEU A 19 11.998 12.030 -4.050 1.00 0.00 C ATOM 286 CG LEU A 19 12.969 12.578 -3.001 1.00 0.00 C ATOM 287 CD1 LEU A 19 13.938 11.477 -2.569 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.759 13.746 -3.597 1.00 0.00 C ATOM 0 H LEU A 19 11.363 10.981 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 19 13.787 11.862 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.341 12.825 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.362 11.264 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 19 12.405 12.923 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.627 11.871 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.377 10.646 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.501 11.128 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.450 14.136 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.320 13.400 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.070 14.534 -3.900 1.00 0.00 H new ATOM 300 N ASP A 20 14.105 9.486 -4.671 1.00 0.00 N ATOM 301 CA ASP A 20 14.323 8.022 -4.498 1.00 0.00 C ATOM 302 C ASP A 20 13.977 7.600 -3.068 1.00 0.00 C ATOM 303 O ASP A 20 14.730 7.831 -2.142 1.00 0.00 O ATOM 304 CB ASP A 20 15.811 7.808 -4.779 1.00 0.00 C ATOM 305 CG ASP A 20 15.988 7.267 -6.199 1.00 0.00 C ATOM 306 OD1 ASP A 20 15.011 6.801 -6.760 1.00 0.00 O ATOM 307 OD2 ASP A 20 17.098 7.328 -6.702 1.00 0.00 O ATOM 0 H ASP A 20 14.912 10.073 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 20 13.694 7.429 -5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.352 8.747 -4.666 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.232 7.109 -4.057 1.00 0.00 H new ATOM 312 N PHE A 21 12.844 6.982 -2.884 1.00 0.00 N ATOM 313 CA PHE A 21 12.445 6.543 -1.516 1.00 0.00 C ATOM 314 C PHE A 21 12.045 5.066 -1.535 1.00 0.00 C ATOM 315 O PHE A 21 10.978 4.706 -1.992 1.00 0.00 O ATOM 316 CB PHE A 21 11.245 7.417 -1.154 1.00 0.00 C ATOM 317 CG PHE A 21 11.446 8.003 0.224 1.00 0.00 C ATOM 318 CD1 PHE A 21 12.497 8.898 0.459 1.00 0.00 C ATOM 319 CD2 PHE A 21 10.583 7.648 1.266 1.00 0.00 C ATOM 320 CE1 PHE A 21 12.684 9.438 1.737 1.00 0.00 C ATOM 321 CE2 PHE A 21 10.769 8.188 2.545 1.00 0.00 C ATOM 322 CZ PHE A 21 11.820 9.083 2.780 1.00 0.00 C ATOM 0 H PHE A 21 12.176 6.761 -3.622 1.00 0.00 H new ATOM 0 HA PHE A 21 13.256 6.646 -0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.129 8.215 -1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.330 6.825 -1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.163 9.172 -0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.773 6.957 1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.495 10.128 1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.102 7.914 3.349 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.964 9.500 3.766 1.00 0.00 H new ATOM 332 N GLU A 22 12.894 4.206 -1.042 1.00 0.00 N ATOM 333 CA GLU A 22 12.564 2.751 -1.034 1.00 0.00 C ATOM 334 C GLU A 22 12.625 2.201 0.394 1.00 0.00 C ATOM 335 O GLU A 22 13.665 2.189 1.023 1.00 0.00 O ATOM 336 CB GLU A 22 13.628 2.080 -1.915 1.00 0.00 C ATOM 337 CG GLU A 22 14.970 2.806 -1.773 1.00 0.00 C ATOM 338 CD GLU A 22 16.101 1.894 -2.253 1.00 0.00 C ATOM 339 OE1 GLU A 22 15.865 1.123 -3.168 1.00 0.00 O ATOM 340 OE2 GLU A 22 17.183 1.984 -1.697 1.00 0.00 O ATOM 0 H GLU A 22 13.802 4.447 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 22 11.557 2.562 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.740 1.034 -1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.308 2.093 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.960 3.727 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.134 3.089 -0.733 1.00 0.00 H new ATOM 347 N ASP A 23 11.515 1.746 0.910 1.00 0.00 N ATOM 348 CA ASP A 23 11.502 1.195 2.296 1.00 0.00 C ATOM 349 C ASP A 23 11.875 -0.291 2.282 1.00 0.00 C ATOM 350 O ASP A 23 12.085 -0.879 1.240 1.00 0.00 O ATOM 351 CB ASP A 23 10.064 1.381 2.781 1.00 0.00 C ATOM 352 CG ASP A 23 10.049 1.482 4.306 1.00 0.00 C ATOM 353 OD1 ASP A 23 11.032 1.947 4.859 1.00 0.00 O ATOM 354 OD2 ASP A 23 9.056 1.091 4.898 1.00 0.00 O ATOM 0 H ASP A 23 10.615 1.732 0.430 1.00 0.00 H new ATOM 0 HA ASP A 23 12.221 1.695 2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.635 2.282 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.448 0.543 2.455 1.00 0.00 H new ATOM 359 N LYS A 24 11.960 -0.904 3.433 1.00 0.00 N ATOM 360 CA LYS A 24 12.319 -2.351 3.482 1.00 0.00 C ATOM 361 C LYS A 24 11.091 -3.210 3.168 1.00 0.00 C ATOM 362 O LYS A 24 11.166 -4.422 3.113 1.00 0.00 O ATOM 363 CB LYS A 24 12.790 -2.600 4.916 1.00 0.00 C ATOM 364 CG LYS A 24 13.235 -4.056 5.061 1.00 0.00 C ATOM 365 CD LYS A 24 14.190 -4.186 6.248 1.00 0.00 C ATOM 366 CE LYS A 24 13.994 -5.551 6.910 1.00 0.00 C ATOM 367 NZ LYS A 24 14.293 -6.542 5.838 1.00 0.00 N ATOM 0 H LYS A 24 11.797 -0.466 4.340 1.00 0.00 H new ATOM 0 HA LYS A 24 13.086 -2.608 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.615 -1.930 5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.984 -2.383 5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.367 -4.699 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.727 -4.389 4.147 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.221 -4.077 5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.003 -3.390 6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.662 -5.677 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.976 -5.667 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.596 -7.439 6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.439 -6.704 5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.053 -6.176 5.229 1.00 0.00 H new ATOM 381 N ASP A 25 9.960 -2.593 2.963 1.00 0.00 N ATOM 382 CA ASP A 25 8.731 -3.376 2.654 1.00 0.00 C ATOM 383 C ASP A 25 8.907 -4.138 1.338 1.00 0.00 C ATOM 384 O ASP A 25 8.355 -5.204 1.146 1.00 0.00 O ATOM 385 CB ASP A 25 7.617 -2.336 2.533 1.00 0.00 C ATOM 386 CG ASP A 25 6.268 -3.003 2.805 1.00 0.00 C ATOM 387 OD1 ASP A 25 6.231 -3.914 3.614 1.00 0.00 O ATOM 388 OD2 ASP A 25 5.293 -2.591 2.198 1.00 0.00 O ATOM 0 H ASP A 25 9.834 -1.581 2.996 1.00 0.00 H new ATOM 0 HA ASP A 25 8.509 -4.118 3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.783 -1.525 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.623 -1.895 1.536 1.00 0.00 H new ATOM 393 N GLY A 26 9.676 -3.603 0.430 1.00 0.00 N ATOM 394 CA GLY A 26 9.890 -4.296 -0.873 1.00 0.00 C ATOM 395 C GLY A 26 10.018 -3.258 -1.987 1.00 0.00 C ATOM 396 O GLY A 26 10.695 -3.468 -2.973 1.00 0.00 O ATOM 0 H GLY A 26 10.166 -2.715 0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.790 -4.909 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.057 -4.968 -1.081 1.00 0.00 H new ATOM 400 N ASP A 27 9.370 -2.135 -1.836 1.00 0.00 N ATOM 401 CA ASP A 27 9.449 -1.076 -2.884 1.00 0.00 C ATOM 402 C ASP A 27 8.436 0.032 -2.584 1.00 0.00 C ATOM 403 O ASP A 27 7.335 -0.225 -2.139 1.00 0.00 O ATOM 404 CB ASP A 27 9.098 -1.785 -4.192 1.00 0.00 C ATOM 405 CG ASP A 27 10.300 -1.739 -5.136 1.00 0.00 C ATOM 406 OD1 ASP A 27 11.407 -1.936 -4.664 1.00 0.00 O ATOM 407 OD2 ASP A 27 10.092 -1.508 -6.316 1.00 0.00 O ATOM 0 H ASP A 27 8.788 -1.904 -1.031 1.00 0.00 H new ATOM 0 HA ASP A 27 10.432 -0.608 -2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.818 -2.819 -3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.237 -1.305 -4.658 1.00 0.00 H new ATOM 412 N LYS A 28 8.796 1.264 -2.823 1.00 0.00 N ATOM 413 CA LYS A 28 7.848 2.382 -2.546 1.00 0.00 C ATOM 414 C LYS A 28 7.889 3.412 -3.681 1.00 0.00 C ATOM 415 O LYS A 28 7.279 3.225 -4.715 1.00 0.00 O ATOM 416 CB LYS A 28 8.335 2.993 -1.232 1.00 0.00 C ATOM 417 CG LYS A 28 7.946 2.076 -0.071 1.00 0.00 C ATOM 418 CD LYS A 28 6.779 2.695 0.698 1.00 0.00 C ATOM 419 CE LYS A 28 5.462 2.292 0.033 1.00 0.00 C ATOM 420 NZ LYS A 28 4.605 3.507 0.114 1.00 0.00 N ATOM 0 H LYS A 28 9.703 1.545 -3.197 1.00 0.00 H new ATOM 0 HA LYS A 28 6.815 2.043 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.417 3.126 -1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.896 3.981 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.666 1.093 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.798 1.932 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.793 2.359 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.874 3.781 0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.619 1.987 -1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.001 1.449 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.682 3.310 -0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.468 3.769 1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.066 4.291 -0.390 1.00 0.00 H new ATOM 434 N VAL A 29 8.596 4.498 -3.502 1.00 0.00 N ATOM 435 CA VAL A 29 8.656 5.526 -4.583 1.00 0.00 C ATOM 436 C VAL A 29 10.072 5.578 -5.171 1.00 0.00 C ATOM 437 O VAL A 29 11.053 5.543 -4.454 1.00 0.00 O ATOM 438 CB VAL A 29 8.257 6.880 -3.928 1.00 0.00 C ATOM 439 CG1 VAL A 29 7.616 6.656 -2.552 1.00 0.00 C ATOM 440 CG2 VAL A 29 9.485 7.788 -3.759 1.00 0.00 C ATOM 0 H VAL A 29 9.130 4.716 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 29 7.980 5.293 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 29 7.536 7.360 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.346 7.618 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.721 6.044 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.325 6.147 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.182 8.729 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.219 7.293 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.927 7.987 -4.735 1.00 0.00 H new ATOM 450 N VAL A 30 10.184 5.668 -6.467 1.00 0.00 N ATOM 451 CA VAL A 30 11.532 5.729 -7.097 1.00 0.00 C ATOM 452 C VAL A 30 11.544 6.780 -8.207 1.00 0.00 C ATOM 453 O VAL A 30 11.420 6.473 -9.375 1.00 0.00 O ATOM 454 CB VAL A 30 11.763 4.335 -7.673 1.00 0.00 C ATOM 455 CG1 VAL A 30 11.836 3.324 -6.529 1.00 0.00 C ATOM 456 CG2 VAL A 30 10.605 3.966 -8.603 1.00 0.00 C ATOM 0 H VAL A 30 9.399 5.702 -7.118 1.00 0.00 H new ATOM 0 HA VAL A 30 12.310 6.008 -6.387 1.00 0.00 H new ATOM 0 HB VAL A 30 12.697 4.323 -8.235 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.001 2.326 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.659 3.586 -5.864 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.900 3.338 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.771 2.970 -9.014 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.671 3.976 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.547 4.689 -9.417 1.00 0.00 H new ATOM 466 N ALA A 31 11.690 8.021 -7.847 1.00 0.00 N ATOM 467 CA ALA A 31 11.706 9.099 -8.876 1.00 0.00 C ATOM 468 C ALA A 31 10.534 8.921 -9.846 1.00 0.00 C ATOM 469 O ALA A 31 10.722 8.605 -11.005 1.00 0.00 O ATOM 470 CB ALA A 31 13.039 8.930 -9.607 1.00 0.00 C ATOM 0 H ALA A 31 11.799 8.339 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 31 11.606 10.091 -8.436 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.127 9.690 -10.384 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.859 9.039 -8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.082 7.940 -10.061 1.00 0.00 H new ATOM 476 N GLY A 32 9.328 9.121 -9.387 1.00 0.00 N ATOM 477 CA GLY A 32 8.158 8.960 -10.297 1.00 0.00 C ATOM 478 C GLY A 32 6.850 9.174 -9.527 1.00 0.00 C ATOM 479 O GLY A 32 5.827 8.615 -9.870 1.00 0.00 O ATOM 0 H GLY A 32 9.103 9.387 -8.428 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.226 9.675 -11.117 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.168 7.964 -10.740 1.00 0.00 H new ATOM 483 N ASP A 33 6.859 9.982 -8.498 1.00 0.00 N ATOM 484 CA ASP A 33 5.596 10.219 -7.739 1.00 0.00 C ATOM 485 C ASP A 33 4.780 11.308 -8.435 1.00 0.00 C ATOM 486 O ASP A 33 5.326 12.214 -9.020 1.00 0.00 O ATOM 487 CB ASP A 33 6.035 10.681 -6.350 1.00 0.00 C ATOM 488 CG ASP A 33 6.682 9.513 -5.605 1.00 0.00 C ATOM 489 OD1 ASP A 33 5.976 8.566 -5.303 1.00 0.00 O ATOM 490 OD2 ASP A 33 7.874 9.585 -5.351 1.00 0.00 O ATOM 0 H ASP A 33 7.678 10.483 -8.154 1.00 0.00 H new ATOM 0 HA ASP A 33 4.971 9.327 -7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.741 11.507 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.176 11.052 -5.790 1.00 0.00 H new ATOM 495 N GLU A 34 3.479 11.224 -8.387 1.00 0.00 N ATOM 496 CA GLU A 34 2.643 12.260 -9.063 1.00 0.00 C ATOM 497 C GLU A 34 1.369 12.550 -8.260 1.00 0.00 C ATOM 498 O GLU A 34 0.813 11.679 -7.621 1.00 0.00 O ATOM 499 CB GLU A 34 2.289 11.646 -10.416 1.00 0.00 C ATOM 500 CG GLU A 34 2.168 12.753 -11.463 1.00 0.00 C ATOM 501 CD GLU A 34 1.295 12.268 -12.622 1.00 0.00 C ATOM 502 OE1 GLU A 34 1.036 11.078 -12.684 1.00 0.00 O ATOM 503 OE2 GLU A 34 0.898 13.095 -13.426 1.00 0.00 O ATOM 0 H GLU A 34 2.959 10.487 -7.911 1.00 0.00 H new ATOM 0 HA GLU A 34 3.169 13.210 -9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.056 10.931 -10.714 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.351 11.096 -10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.732 13.646 -11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.156 13.031 -11.830 1.00 0.00 H new ATOM 510 N TRP A 35 0.900 13.770 -8.303 1.00 0.00 N ATOM 511 CA TRP A 35 -0.344 14.124 -7.557 1.00 0.00 C ATOM 512 C TRP A 35 -1.004 15.358 -8.184 1.00 0.00 C ATOM 513 O TRP A 35 -0.399 16.072 -8.959 1.00 0.00 O ATOM 514 CB TRP A 35 0.106 14.410 -6.121 1.00 0.00 C ATOM 515 CG TRP A 35 0.716 15.773 -6.026 1.00 0.00 C ATOM 516 CD1 TRP A 35 0.052 16.902 -5.683 1.00 0.00 C ATOM 517 CD2 TRP A 35 2.098 16.165 -6.257 1.00 0.00 C ATOM 518 NE1 TRP A 35 0.942 17.963 -5.691 1.00 0.00 N ATOM 519 CE2 TRP A 35 2.216 17.559 -6.039 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.250 15.454 -6.632 1.00 0.00 C ATOM 521 CZ2 TRP A 35 3.436 18.222 -6.187 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.477 16.119 -6.782 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.572 17.496 -6.561 1.00 0.00 C ATOM 0 H TRP A 35 1.325 14.537 -8.823 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.083 13.324 -7.588 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -0.746 14.338 -5.445 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.829 13.658 -5.803 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.999 16.965 -5.443 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.688 18.925 -5.467 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.191 14.390 -6.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.502 19.286 -6.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.356 15.562 -7.071 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.521 17.999 -6.679 1.00 0.00 H new ATOM 534 N LEU A 36 -2.243 15.610 -7.857 1.00 0.00 N ATOM 535 CA LEU A 36 -2.945 16.795 -8.437 1.00 0.00 C ATOM 536 C LEU A 36 -2.884 17.978 -7.468 1.00 0.00 C ATOM 537 O LEU A 36 -2.854 17.805 -6.266 1.00 0.00 O ATOM 538 CB LEU A 36 -4.392 16.341 -8.623 1.00 0.00 C ATOM 539 CG LEU A 36 -4.803 16.516 -10.084 1.00 0.00 C ATOM 540 CD1 LEU A 36 -4.532 17.957 -10.519 1.00 0.00 C ATOM 541 CD2 LEU A 36 -3.993 15.557 -10.955 1.00 0.00 C ATOM 0 H LEU A 36 -2.800 15.048 -7.214 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.491 17.124 -9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.496 15.297 -8.328 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.051 16.922 -7.978 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.865 16.298 -10.195 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.825 18.084 -11.561 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.108 18.640 -9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.470 18.176 -10.411 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.284 15.679 -11.998 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.931 15.776 -10.846 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.186 14.531 -10.643 1.00 0.00 H new ATOM 553 N PHE A 37 -2.871 19.180 -7.980 1.00 0.00 N ATOM 554 CA PHE A 37 -2.817 20.369 -7.079 1.00 0.00 C ATOM 555 C PHE A 37 -3.879 21.396 -7.482 1.00 0.00 C ATOM 556 O PHE A 37 -3.786 22.025 -8.521 1.00 0.00 O ATOM 557 CB PHE A 37 -1.417 20.951 -7.274 1.00 0.00 C ATOM 558 CG PHE A 37 -1.100 21.917 -6.159 1.00 0.00 C ATOM 559 CD1 PHE A 37 -1.865 23.077 -5.998 1.00 0.00 C ATOM 560 CD2 PHE A 37 -0.033 21.656 -5.291 1.00 0.00 C ATOM 561 CE1 PHE A 37 -1.564 23.978 -4.968 1.00 0.00 C ATOM 562 CE2 PHE A 37 0.269 22.557 -4.262 1.00 0.00 C ATOM 563 CZ PHE A 37 -0.497 23.716 -4.100 1.00 0.00 C ATOM 0 H PHE A 37 -2.895 19.390 -8.978 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.012 20.103 -6.040 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.680 20.148 -7.292 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.357 21.460 -8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.688 23.278 -6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.557 20.760 -5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.154 24.874 -4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.093 22.357 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.265 24.409 -3.305 1.00 0.00 H new ATOM 573 N GLU A 38 -4.883 21.568 -6.664 1.00 0.00 N ATOM 574 CA GLU A 38 -5.953 22.555 -6.983 1.00 0.00 C ATOM 575 C GLU A 38 -5.542 23.950 -6.496 1.00 0.00 C ATOM 576 O GLU A 38 -5.218 24.145 -5.341 1.00 0.00 O ATOM 577 CB GLU A 38 -7.181 22.059 -6.219 1.00 0.00 C ATOM 578 CG GLU A 38 -8.428 22.785 -6.724 1.00 0.00 C ATOM 579 CD GLU A 38 -8.483 24.190 -6.120 1.00 0.00 C ATOM 580 OE1 GLU A 38 -8.784 24.295 -4.943 1.00 0.00 O ATOM 581 OE2 GLU A 38 -8.222 25.135 -6.845 1.00 0.00 O ATOM 0 H GLU A 38 -5.008 21.065 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.143 22.635 -8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.295 20.983 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.053 22.235 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.410 22.846 -7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.323 22.225 -6.451 1.00 0.00 H new ATOM 588 N GLY A 39 -5.547 24.917 -7.372 1.00 0.00 N ATOM 589 CA GLY A 39 -5.152 26.297 -6.969 1.00 0.00 C ATOM 590 C GLY A 39 -3.631 26.376 -6.792 1.00 0.00 C ATOM 591 O GLY A 39 -3.154 26.940 -5.828 1.00 0.00 O ATOM 0 H GLY A 39 -5.808 24.811 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.476 27.012 -7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.649 26.569 -6.038 1.00 0.00 H new ATOM 595 N PRO A 40 -2.909 25.809 -7.730 1.00 0.00 N ATOM 596 CA PRO A 40 -1.423 25.829 -7.662 1.00 0.00 C ATOM 597 C PRO A 40 -0.864 27.196 -8.094 1.00 0.00 C ATOM 598 O PRO A 40 0.199 27.282 -8.672 1.00 0.00 O ATOM 599 CB PRO A 40 -1.009 24.757 -8.665 1.00 0.00 C ATOM 600 CG PRO A 40 -2.141 24.678 -9.643 1.00 0.00 C ATOM 601 CD PRO A 40 -3.394 25.100 -8.922 1.00 0.00 C ATOM 0 HA PRO A 40 -1.050 25.653 -6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.076 25.022 -9.163 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.846 23.798 -8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.954 25.327 -10.499 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.244 23.664 -10.029 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.012 25.747 -9.545 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.005 24.239 -8.651 1.00 0.00 H new ATOM 609 N GLY A 41 -1.563 28.265 -7.830 1.00 0.00 N ATOM 610 CA GLY A 41 -1.050 29.599 -8.242 1.00 0.00 C ATOM 611 C GLY A 41 0.360 29.811 -7.687 1.00 0.00 C ATOM 612 O GLY A 41 1.301 30.023 -8.424 1.00 0.00 O ATOM 0 H GLY A 41 -2.463 28.272 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.037 29.673 -9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.715 30.382 -7.877 1.00 0.00 H new ATOM 616 N THR A 42 0.512 29.768 -6.392 1.00 0.00 N ATOM 617 CA THR A 42 1.859 29.987 -5.791 1.00 0.00 C ATOM 618 C THR A 42 2.731 28.729 -5.892 1.00 0.00 C ATOM 619 O THR A 42 3.772 28.645 -5.272 1.00 0.00 O ATOM 620 CB THR A 42 1.583 30.331 -4.327 1.00 0.00 C ATOM 621 OG1 THR A 42 0.864 29.268 -3.719 1.00 0.00 O ATOM 622 CG2 THR A 42 0.758 31.615 -4.255 1.00 0.00 C ATOM 0 H THR A 42 -0.238 29.591 -5.724 1.00 0.00 H new ATOM 0 HA THR A 42 2.406 30.774 -6.310 1.00 0.00 H new ATOM 0 HB THR A 42 2.527 30.476 -3.801 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.688 29.487 -2.780 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.560 31.862 -3.212 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.311 32.430 -4.722 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.187 31.470 -4.779 1.00 0.00 H new ATOM 630 N TYR A 43 2.332 27.756 -6.665 1.00 0.00 N ATOM 631 CA TYR A 43 3.170 26.527 -6.785 1.00 0.00 C ATOM 632 C TYR A 43 4.422 26.823 -7.619 1.00 0.00 C ATOM 633 O TYR A 43 4.347 27.381 -8.695 1.00 0.00 O ATOM 634 CB TYR A 43 2.281 25.494 -7.487 1.00 0.00 C ATOM 635 CG TYR A 43 3.139 24.398 -8.073 1.00 0.00 C ATOM 636 CD1 TYR A 43 3.781 24.597 -9.302 1.00 0.00 C ATOM 637 CD2 TYR A 43 3.294 23.188 -7.390 1.00 0.00 C ATOM 638 CE1 TYR A 43 4.579 23.584 -9.845 1.00 0.00 C ATOM 639 CE2 TYR A 43 4.092 22.175 -7.934 1.00 0.00 C ATOM 640 CZ TYR A 43 4.735 22.374 -9.161 1.00 0.00 C ATOM 641 OH TYR A 43 5.523 21.376 -9.696 1.00 0.00 O ATOM 0 H TYR A 43 1.472 27.757 -7.213 1.00 0.00 H new ATOM 0 HA TYR A 43 3.512 26.166 -5.815 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.569 25.072 -6.778 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.700 25.975 -8.274 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.660 25.531 -9.830 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.798 23.035 -6.443 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.075 23.736 -10.792 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.212 21.240 -7.407 1.00 0.00 H new ATOM 0 HH TYR A 43 6.338 21.280 -9.160 1.00 0.00 H new ATOM 651 N ILE A 44 5.574 26.450 -7.131 1.00 0.00 N ATOM 652 CA ILE A 44 6.828 26.704 -7.896 1.00 0.00 C ATOM 653 C ILE A 44 7.511 25.374 -8.229 1.00 0.00 C ATOM 654 O ILE A 44 7.497 24.453 -7.436 1.00 0.00 O ATOM 655 CB ILE A 44 7.701 27.549 -6.962 1.00 0.00 C ATOM 656 CG1 ILE A 44 7.244 29.010 -7.023 1.00 0.00 C ATOM 657 CG2 ILE A 44 9.165 27.461 -7.399 1.00 0.00 C ATOM 658 CD1 ILE A 44 6.957 29.515 -5.608 1.00 0.00 C ATOM 0 H ILE A 44 5.701 25.980 -6.235 1.00 0.00 H new ATOM 0 HA ILE A 44 6.646 27.213 -8.842 1.00 0.00 H new ATOM 0 HB ILE A 44 7.604 27.173 -5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.014 29.624 -7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.350 29.097 -7.640 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.781 28.064 -6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.495 26.423 -7.359 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.263 27.834 -8.419 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.632 30.554 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.172 28.908 -5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.862 29.443 -5.005 1.00 0.00 H new ATOM 670 N PRO A 45 8.088 25.321 -9.397 1.00 0.00 N ATOM 671 CA PRO A 45 8.786 24.093 -9.848 1.00 0.00 C ATOM 672 C PRO A 45 10.102 23.915 -9.086 1.00 0.00 C ATOM 673 O PRO A 45 11.062 24.626 -9.310 1.00 0.00 O ATOM 674 CB PRO A 45 9.046 24.354 -11.331 1.00 0.00 C ATOM 675 CG PRO A 45 9.060 25.843 -11.464 1.00 0.00 C ATOM 676 CD PRO A 45 8.143 26.390 -10.402 1.00 0.00 C ATOM 0 HA PRO A 45 8.210 23.184 -9.674 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.994 23.920 -11.648 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.269 23.909 -11.952 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.071 26.232 -11.338 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.724 26.144 -12.456 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.530 27.317 -9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.154 26.612 -10.804 1.00 0.00 H new ATOM 684 N ARG A 46 10.152 22.972 -8.185 1.00 0.00 N ATOM 685 CA ARG A 46 11.406 22.750 -7.407 1.00 0.00 C ATOM 686 C ARG A 46 11.996 21.377 -7.735 1.00 0.00 C ATOM 687 O ARG A 46 11.286 20.439 -8.035 1.00 0.00 O ATOM 688 CB ARG A 46 10.983 22.816 -5.940 1.00 0.00 C ATOM 689 CG ARG A 46 10.720 24.273 -5.552 1.00 0.00 C ATOM 690 CD ARG A 46 10.287 24.345 -4.086 1.00 0.00 C ATOM 691 NE ARG A 46 11.285 25.240 -3.436 1.00 0.00 N ATOM 692 CZ ARG A 46 12.275 24.729 -2.757 1.00 0.00 C ATOM 693 NH1 ARG A 46 12.036 24.012 -1.693 1.00 0.00 N ATOM 694 NH2 ARG A 46 13.506 24.933 -3.141 1.00 0.00 N ATOM 0 H ARG A 46 9.381 22.346 -7.954 1.00 0.00 H new ATOM 0 HA ARG A 46 12.172 23.489 -7.642 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.085 22.218 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.763 22.394 -5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.620 24.869 -5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.945 24.696 -6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.277 24.744 -3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.283 23.357 -3.626 1.00 0.00 H new ATOM 0 HE ARG A 46 11.194 26.252 -3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.075 23.851 -1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.810 23.613 -1.163 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.695 25.492 -3.973 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.279 24.533 -2.609 1.00 0.00 H new ATOM 708 N LYS A 47 13.293 21.256 -7.681 1.00 0.00 N ATOM 709 CA LYS A 47 13.944 19.949 -7.989 1.00 0.00 C ATOM 710 C LYS A 47 13.144 18.787 -7.391 1.00 0.00 C ATOM 711 O LYS A 47 12.908 17.786 -8.037 1.00 0.00 O ATOM 712 CB LYS A 47 15.321 20.039 -7.331 1.00 0.00 C ATOM 713 CG LYS A 47 16.397 19.645 -8.342 1.00 0.00 C ATOM 714 CD LYS A 47 17.690 19.307 -7.600 1.00 0.00 C ATOM 715 CE LYS A 47 18.841 19.191 -8.602 1.00 0.00 C ATOM 716 NZ LYS A 47 19.638 20.435 -8.419 1.00 0.00 N ATOM 0 H LYS A 47 13.935 22.010 -7.436 1.00 0.00 H new ATOM 0 HA LYS A 47 14.004 19.765 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.498 21.053 -6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.364 19.381 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 47 16.065 18.787 -8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 47 16.570 20.462 -9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.912 20.080 -6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.574 18.371 -7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.444 18.304 -8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.469 19.107 -9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 20.447 20.429 -9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.040 21.263 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.985 20.484 -7.440 1.00 0.00 H new ATOM 730 N GLU A 48 12.739 18.911 -6.157 1.00 0.00 N ATOM 731 CA GLU A 48 11.964 17.814 -5.503 1.00 0.00 C ATOM 732 C GLU A 48 10.914 17.241 -6.461 1.00 0.00 C ATOM 733 O GLU A 48 10.681 16.050 -6.493 1.00 0.00 O ATOM 734 CB GLU A 48 11.285 18.478 -4.305 1.00 0.00 C ATOM 735 CG GLU A 48 12.039 18.115 -3.025 1.00 0.00 C ATOM 736 CD GLU A 48 11.782 19.181 -1.959 1.00 0.00 C ATOM 737 OE1 GLU A 48 11.408 20.282 -2.328 1.00 0.00 O ATOM 738 OE2 GLU A 48 11.963 18.878 -0.791 1.00 0.00 O ATOM 0 H GLU A 48 12.911 19.727 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 48 12.604 16.981 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.269 19.560 -4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.248 18.151 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.714 17.139 -2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.107 18.040 -3.229 1.00 0.00 H new ATOM 745 N VAL A 49 10.274 18.076 -7.236 1.00 0.00 N ATOM 746 CA VAL A 49 9.235 17.567 -8.184 1.00 0.00 C ATOM 747 C VAL A 49 9.227 18.400 -9.472 1.00 0.00 C ATOM 748 O VAL A 49 9.915 19.394 -9.585 1.00 0.00 O ATOM 749 CB VAL A 49 7.897 17.696 -7.439 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.085 17.333 -5.964 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.378 19.134 -7.544 1.00 0.00 C ATOM 0 H VAL A 49 10.423 19.085 -7.255 1.00 0.00 H new ATOM 0 HA VAL A 49 9.428 16.536 -8.481 1.00 0.00 H new ATOM 0 HB VAL A 49 7.175 17.016 -7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.133 17.427 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.443 16.306 -5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.814 18.007 -5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.429 19.218 -7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.103 19.816 -7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.232 19.392 -8.593 1.00 0.00 H new ATOM 761 N GLU A 50 8.451 17.999 -10.443 1.00 0.00 N ATOM 762 CA GLU A 50 8.399 18.766 -11.724 1.00 0.00 C ATOM 763 C GLU A 50 6.957 18.852 -12.237 1.00 0.00 C ATOM 764 O GLU A 50 6.209 17.897 -12.172 1.00 0.00 O ATOM 765 CB GLU A 50 9.265 17.965 -12.697 1.00 0.00 C ATOM 766 CG GLU A 50 10.723 18.002 -12.233 1.00 0.00 C ATOM 767 CD GLU A 50 11.540 18.874 -13.189 1.00 0.00 C ATOM 768 OE1 GLU A 50 11.848 18.404 -14.271 1.00 0.00 O ATOM 769 OE2 GLU A 50 11.844 19.996 -12.820 1.00 0.00 O ATOM 0 H GLU A 50 7.851 17.175 -10.406 1.00 0.00 H new ATOM 0 HA GLU A 50 8.753 19.790 -11.606 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.915 16.934 -12.748 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.181 18.380 -13.701 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.783 18.399 -11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.133 16.992 -12.205 1.00 0.00 H new ATOM 776 N VAL A 51 6.562 19.986 -12.752 1.00 0.00 N ATOM 777 CA VAL A 51 5.169 20.125 -13.271 1.00 0.00 C ATOM 778 C VAL A 51 4.881 19.039 -14.312 1.00 0.00 C ATOM 779 O VAL A 51 5.653 18.820 -15.225 1.00 0.00 O ATOM 780 CB VAL A 51 5.117 21.511 -13.916 1.00 0.00 C ATOM 781 CG1 VAL A 51 5.056 22.579 -12.822 1.00 0.00 C ATOM 782 CG2 VAL A 51 6.370 21.726 -14.767 1.00 0.00 C ATOM 0 H VAL A 51 7.142 20.821 -12.836 1.00 0.00 H new ATOM 0 HA VAL A 51 4.425 20.016 -12.482 1.00 0.00 H new ATOM 0 HB VAL A 51 4.232 21.585 -14.548 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.019 23.567 -13.280 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.164 22.427 -12.214 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.942 22.505 -12.191 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.333 22.714 -15.227 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.256 21.653 -14.136 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.416 20.965 -15.546 1.00 0.00 H new ATOM 792 N VAL A 52 3.776 18.356 -14.179 1.00 0.00 N ATOM 793 CA VAL A 52 3.442 17.283 -15.160 1.00 0.00 C ATOM 794 C VAL A 52 2.356 17.764 -16.126 1.00 0.00 C ATOM 795 O VAL A 52 2.548 17.786 -17.326 1.00 0.00 O ATOM 796 CB VAL A 52 2.930 16.113 -14.318 1.00 0.00 C ATOM 797 CG1 VAL A 52 2.939 14.836 -15.158 1.00 0.00 C ATOM 798 CG2 VAL A 52 3.839 15.925 -13.102 1.00 0.00 C ATOM 0 H VAL A 52 3.092 18.494 -13.435 1.00 0.00 H new ATOM 0 HA VAL A 52 4.303 17.001 -15.766 1.00 0.00 H new ATOM 0 HB VAL A 52 1.913 16.323 -13.986 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.574 14.003 -14.557 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.294 14.967 -16.027 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.956 14.626 -15.490 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.475 15.092 -12.501 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.855 15.715 -13.436 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.835 16.834 -12.501 1.00 0.00 H new ATOM 808 N GLU A 53 1.215 18.143 -15.619 1.00 0.00 N ATOM 809 CA GLU A 53 0.122 18.613 -16.524 1.00 0.00 C ATOM 810 C GLU A 53 -0.653 19.761 -15.873 1.00 0.00 C ATOM 811 O GLU A 53 -0.483 20.059 -14.707 1.00 0.00 O ATOM 812 CB GLU A 53 -0.812 17.406 -16.719 1.00 0.00 C ATOM 813 CG GLU A 53 -0.024 16.094 -16.642 1.00 0.00 C ATOM 814 CD GLU A 53 -0.810 14.982 -17.340 1.00 0.00 C ATOM 815 OE1 GLU A 53 -1.958 14.781 -16.981 1.00 0.00 O ATOM 816 OE2 GLU A 53 -0.250 14.351 -18.222 1.00 0.00 O ATOM 0 H GLU A 53 0.991 18.149 -14.624 1.00 0.00 H new ATOM 0 HA GLU A 53 0.522 18.978 -17.470 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.590 17.414 -15.955 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.313 17.479 -17.684 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.951 16.215 -17.114 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.157 15.827 -15.601 1.00 0.00 H new ATOM 823 N ILE A 54 -1.519 20.391 -16.615 1.00 0.00 N ATOM 824 CA ILE A 54 -2.333 21.504 -16.044 1.00 0.00 C ATOM 825 C ILE A 54 -3.795 21.279 -16.434 1.00 0.00 C ATOM 826 O ILE A 54 -4.094 20.923 -17.557 1.00 0.00 O ATOM 827 CB ILE A 54 -1.799 22.808 -16.657 1.00 0.00 C ATOM 828 CG1 ILE A 54 -0.366 22.621 -17.179 1.00 0.00 C ATOM 829 CG2 ILE A 54 -1.798 23.898 -15.583 1.00 0.00 C ATOM 830 CD1 ILE A 54 0.570 22.288 -16.014 1.00 0.00 C ATOM 0 H ILE A 54 -1.700 20.183 -17.597 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.267 21.550 -14.957 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.441 23.091 -17.491 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.340 21.821 -17.919 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.030 23.529 -17.680 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.420 24.828 -16.009 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.814 24.052 -15.219 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.159 23.592 -14.755 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.585 22.156 -16.389 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.554 23.102 -15.290 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.239 21.368 -15.533 1.00 0.00 H new ATOM 842 N ILE A 55 -4.709 21.453 -15.521 1.00 0.00 N ATOM 843 CA ILE A 55 -6.140 21.210 -15.864 1.00 0.00 C ATOM 844 C ILE A 55 -7.030 22.385 -15.446 1.00 0.00 C ATOM 845 O ILE A 55 -6.831 23.010 -14.419 1.00 0.00 O ATOM 846 CB ILE A 55 -6.514 19.929 -15.103 1.00 0.00 C ATOM 847 CG1 ILE A 55 -7.613 19.193 -15.878 1.00 0.00 C ATOM 848 CG2 ILE A 55 -7.015 20.262 -13.689 1.00 0.00 C ATOM 849 CD1 ILE A 55 -8.326 18.206 -14.953 1.00 0.00 C ATOM 0 H ILE A 55 -4.531 21.750 -14.561 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.286 21.107 -16.939 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.630 19.298 -15.014 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.329 19.910 -16.281 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.180 18.663 -16.726 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.274 19.340 -13.168 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.231 20.782 -13.138 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.896 20.901 -13.756 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.106 17.685 -15.508 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.607 17.481 -14.571 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.774 18.747 -14.119 1.00 0.00 H new ATOM 861 N GLN A 56 -8.027 22.671 -16.240 1.00 0.00 N ATOM 862 CA GLN A 56 -8.958 23.781 -15.911 1.00 0.00 C ATOM 863 C GLN A 56 -10.142 23.231 -15.112 1.00 0.00 C ATOM 864 O GLN A 56 -10.434 22.052 -15.149 1.00 0.00 O ATOM 865 CB GLN A 56 -9.423 24.322 -17.265 1.00 0.00 C ATOM 866 CG GLN A 56 -8.243 24.975 -17.986 1.00 0.00 C ATOM 867 CD GLN A 56 -7.580 25.998 -17.061 1.00 0.00 C ATOM 868 OE1 GLN A 56 -8.213 26.938 -16.625 1.00 0.00 O ATOM 869 NE2 GLN A 56 -6.325 25.850 -16.738 1.00 0.00 N ATOM 0 H GLN A 56 -8.235 22.178 -17.108 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.492 24.560 -15.307 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.831 23.513 -17.871 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.223 25.048 -17.123 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.520 24.216 -18.283 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.586 25.463 -18.898 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.794 25.060 -17.105 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.875 26.524 -16.119 1.00 0.00 H new ATOM 878 N ALA A 57 -10.822 24.071 -14.387 1.00 0.00 N ATOM 879 CA ALA A 57 -11.982 23.592 -13.582 1.00 0.00 C ATOM 880 C ALA A 57 -13.294 23.953 -14.280 1.00 0.00 C ATOM 881 O ALA A 57 -13.481 25.072 -14.715 1.00 0.00 O ATOM 882 CB ALA A 57 -11.863 24.339 -12.258 1.00 0.00 C ATOM 0 H ALA A 57 -10.626 25.070 -14.315 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.980 22.510 -13.450 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.681 24.046 -11.600 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.912 24.093 -11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.911 25.413 -12.440 1.00 0.00 H new ATOM 888 N THR A 58 -14.207 23.023 -14.391 1.00 0.00 N ATOM 889 CA THR A 58 -15.499 23.339 -15.067 1.00 0.00 C ATOM 890 C THR A 58 -16.417 22.114 -15.129 1.00 0.00 C ATOM 891 O THR A 58 -16.870 21.736 -16.191 1.00 0.00 O ATOM 892 CB THR A 58 -15.104 23.756 -16.485 1.00 0.00 C ATOM 893 OG1 THR A 58 -16.278 23.941 -17.265 1.00 0.00 O ATOM 894 CG2 THR A 58 -14.236 22.660 -17.113 1.00 0.00 C ATOM 0 H THR A 58 -14.115 22.067 -14.046 1.00 0.00 H new ATOM 0 HA THR A 58 -16.048 24.112 -14.529 1.00 0.00 H new ATOM 0 HB THR A 58 -14.541 24.689 -16.451 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.755 23.089 -17.346 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.953 22.954 -18.124 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.338 22.518 -16.512 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.799 21.727 -17.151 1.00 0.00 H new ATOM 902 N ILE A 59 -16.716 21.488 -14.020 1.00 0.00 N ATOM 903 CA ILE A 59 -17.624 20.304 -14.092 1.00 0.00 C ATOM 904 C ILE A 59 -18.309 20.034 -12.744 1.00 0.00 C ATOM 905 O ILE A 59 -19.515 19.895 -12.678 1.00 0.00 O ATOM 906 CB ILE A 59 -16.729 19.132 -14.536 1.00 0.00 C ATOM 907 CG1 ILE A 59 -17.536 18.193 -15.433 1.00 0.00 C ATOM 908 CG2 ILE A 59 -16.206 18.342 -13.332 1.00 0.00 C ATOM 909 CD1 ILE A 59 -16.818 18.025 -16.773 1.00 0.00 C ATOM 0 H ILE A 59 -16.381 21.737 -13.089 1.00 0.00 H new ATOM 0 HA ILE A 59 -18.442 20.463 -14.794 1.00 0.00 H new ATOM 0 HB ILE A 59 -15.876 19.542 -15.077 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.656 17.224 -14.949 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -18.536 18.596 -15.592 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.578 17.522 -13.680 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.620 19.001 -12.691 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -17.047 17.940 -12.767 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -17.393 17.356 -17.413 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -16.721 18.996 -17.258 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.827 17.603 -16.604 1.00 0.00 H new ATOM 921 N ILE A 60 -17.570 19.948 -11.671 1.00 0.00 N ATOM 922 CA ILE A 60 -18.223 19.675 -10.356 1.00 0.00 C ATOM 923 C ILE A 60 -19.038 20.887 -9.896 1.00 0.00 C ATOM 924 O ILE A 60 -18.796 22.004 -10.308 1.00 0.00 O ATOM 925 CB ILE A 60 -17.082 19.396 -9.381 1.00 0.00 C ATOM 926 CG1 ILE A 60 -16.492 18.013 -9.669 1.00 0.00 C ATOM 927 CG2 ILE A 60 -17.624 19.431 -7.949 1.00 0.00 C ATOM 928 CD1 ILE A 60 -17.484 16.934 -9.230 1.00 0.00 C ATOM 0 H ILE A 60 -16.556 20.053 -11.646 1.00 0.00 H new ATOM 0 HA ILE A 60 -18.915 18.835 -10.418 1.00 0.00 H new ATOM 0 HB ILE A 60 -16.306 20.152 -9.498 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.276 17.912 -10.733 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.547 17.891 -9.139 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.813 19.232 -7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -18.048 20.414 -7.744 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -18.397 18.671 -7.834 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -17.064 15.949 -9.435 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -17.678 17.031 -8.162 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -18.417 17.052 -9.780 1.00 0.00 H new ATOM 940 N ARG A 61 -20.002 20.672 -9.039 1.00 0.00 N ATOM 941 CA ARG A 61 -20.837 21.805 -8.545 1.00 0.00 C ATOM 942 C ARG A 61 -20.215 22.401 -7.278 1.00 0.00 C ATOM 943 O ARG A 61 -19.190 21.950 -6.809 1.00 0.00 O ATOM 944 CB ARG A 61 -22.198 21.181 -8.229 1.00 0.00 C ATOM 945 CG ARG A 61 -23.235 21.657 -9.247 1.00 0.00 C ATOM 946 CD ARG A 61 -23.426 20.583 -10.320 1.00 0.00 C ATOM 947 NE ARG A 61 -22.611 21.046 -11.477 1.00 0.00 N ATOM 948 CZ ARG A 61 -23.162 21.761 -12.417 1.00 0.00 C ATOM 949 NH1 ARG A 61 -24.242 22.451 -12.165 1.00 0.00 N ATOM 950 NH2 ARG A 61 -22.635 21.787 -13.610 1.00 0.00 N ATOM 0 H ARG A 61 -20.247 19.758 -8.659 1.00 0.00 H new ATOM 0 HA ARG A 61 -20.916 22.612 -9.273 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -22.124 20.094 -8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -22.510 21.457 -7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -24.183 21.861 -8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -22.909 22.590 -9.705 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -23.091 19.608 -9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -24.476 20.480 -10.593 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.622 20.804 -11.534 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -24.654 22.430 -11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -24.673 23.011 -12.901 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -21.792 21.248 -13.807 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.066 22.347 -14.346 1.00 0.00 H new ATOM 964 N GLN A 62 -20.824 23.413 -6.722 1.00 0.00 N ATOM 965 CA GLN A 62 -20.263 24.033 -5.492 1.00 0.00 C ATOM 966 C GLN A 62 -20.696 23.254 -4.247 1.00 0.00 C ATOM 967 O GLN A 62 -20.022 23.259 -3.237 1.00 0.00 O ATOM 968 CB GLN A 62 -20.848 25.446 -5.462 1.00 0.00 C ATOM 969 CG GLN A 62 -20.315 26.251 -6.648 1.00 0.00 C ATOM 970 CD GLN A 62 -21.480 26.943 -7.357 1.00 0.00 C ATOM 971 OE1 GLN A 62 -22.415 27.390 -6.720 1.00 0.00 O ATOM 972 NE2 GLN A 62 -21.466 27.055 -8.657 1.00 0.00 N ATOM 0 H GLN A 62 -21.685 23.836 -7.068 1.00 0.00 H new ATOM 0 HA GLN A 62 -19.173 24.035 -5.498 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -21.936 25.400 -5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -20.583 25.940 -4.527 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -19.593 26.991 -6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.791 25.594 -7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.683 26.681 -9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -22.238 27.517 -9.137 1.00 0.00 H new ATOM 981 N ASN A 63 -21.819 22.593 -4.305 1.00 0.00 N ATOM 982 CA ASN A 63 -22.292 21.826 -3.116 1.00 0.00 C ATOM 983 C ASN A 63 -21.848 20.364 -3.209 1.00 0.00 C ATOM 984 O ASN A 63 -21.555 19.728 -2.217 1.00 0.00 O ATOM 985 CB ASN A 63 -23.817 21.922 -3.170 1.00 0.00 C ATOM 986 CG ASN A 63 -24.232 23.383 -3.345 1.00 0.00 C ATOM 987 OD1 ASN A 63 -23.854 24.024 -4.306 1.00 0.00 O ATOM 988 ND2 ASN A 63 -25.003 23.941 -2.452 1.00 0.00 N ATOM 0 H ASN A 63 -22.429 22.550 -5.121 1.00 0.00 H new ATOM 0 HA ASN A 63 -21.885 22.220 -2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -24.200 21.323 -3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -24.250 21.517 -2.255 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -25.288 24.914 -2.561 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -25.321 23.404 -1.645 1.00 0.00 H new ATOM 995 N GLN A 64 -21.810 19.822 -4.390 1.00 0.00 N ATOM 996 CA GLN A 64 -21.402 18.397 -4.539 1.00 0.00 C ATOM 997 C GLN A 64 -19.996 18.164 -3.981 1.00 0.00 C ATOM 998 O GLN A 64 -19.056 18.854 -4.326 1.00 0.00 O ATOM 999 CB GLN A 64 -21.421 18.134 -6.044 1.00 0.00 C ATOM 1000 CG GLN A 64 -20.953 16.702 -6.317 1.00 0.00 C ATOM 1001 CD GLN A 64 -22.129 15.740 -6.147 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -23.225 16.018 -6.593 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -21.949 14.612 -5.516 1.00 0.00 N ATOM 0 H GLN A 64 -22.043 20.301 -5.260 1.00 0.00 H new ATOM 0 HA GLN A 64 -22.068 17.731 -3.991 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -22.427 18.280 -6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -20.772 18.844 -6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -20.550 16.626 -7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -20.148 16.434 -5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -21.029 14.378 -5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -22.728 13.964 -5.397 1.00 0.00 H new ATOM 1012 N ALA A 65 -19.844 17.179 -3.141 1.00 0.00 N ATOM 1013 CA ALA A 65 -18.500 16.872 -2.578 1.00 0.00 C ATOM 1014 C ALA A 65 -17.991 15.571 -3.201 1.00 0.00 C ATOM 1015 O ALA A 65 -18.754 14.658 -3.463 1.00 0.00 O ATOM 1016 CB ALA A 65 -18.718 16.705 -1.074 1.00 0.00 C ATOM 0 H ALA A 65 -20.597 16.571 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.765 17.650 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.768 16.476 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.122 17.629 -0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -19.420 15.890 -0.896 1.00 0.00 H new ATOM 1022 N LEU A 66 -16.715 15.477 -3.457 1.00 0.00 N ATOM 1023 CA LEU A 66 -16.182 14.232 -4.081 1.00 0.00 C ATOM 1024 C LEU A 66 -15.029 13.671 -3.257 1.00 0.00 C ATOM 1025 O LEU A 66 -14.024 14.321 -3.073 1.00 0.00 O ATOM 1026 CB LEU A 66 -15.687 14.666 -5.459 1.00 0.00 C ATOM 1027 CG LEU A 66 -16.530 13.994 -6.542 1.00 0.00 C ATOM 1028 CD1 LEU A 66 -16.483 12.476 -6.360 1.00 0.00 C ATOM 1029 CD2 LEU A 66 -17.978 14.474 -6.429 1.00 0.00 C ATOM 0 H LEU A 66 -16.023 16.201 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 66 -16.937 13.448 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.751 15.750 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.638 14.397 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 66 -16.134 14.254 -7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.085 11.998 -7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.452 12.132 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -16.879 12.215 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -18.581 13.996 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -18.372 14.213 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -18.014 15.556 -6.559 1.00 0.00 H new ATOM 1041 N ARG A 67 -15.157 12.466 -2.779 1.00 0.00 N ATOM 1042 CA ARG A 67 -14.058 11.863 -1.974 1.00 0.00 C ATOM 1043 C ARG A 67 -13.094 11.125 -2.901 1.00 0.00 C ATOM 1044 O ARG A 67 -13.499 10.512 -3.867 1.00 0.00 O ATOM 1045 CB ARG A 67 -14.752 10.883 -1.028 1.00 0.00 C ATOM 1046 CG ARG A 67 -15.800 11.628 -0.197 1.00 0.00 C ATOM 1047 CD ARG A 67 -17.196 11.340 -0.755 1.00 0.00 C ATOM 1048 NE ARG A 67 -18.041 11.069 0.442 1.00 0.00 N ATOM 1049 CZ ARG A 67 -17.796 10.031 1.192 1.00 0.00 C ATOM 1050 NH1 ARG A 67 -17.642 8.854 0.648 1.00 0.00 N ATOM 1051 NH2 ARG A 67 -17.703 10.171 2.487 1.00 0.00 N ATOM 0 H ARG A 67 -15.975 11.872 -2.911 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.478 12.607 -1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.226 10.084 -1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.019 10.414 -0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.742 11.315 0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.602 12.700 -0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.577 12.189 -1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.182 10.485 -1.430 1.00 0.00 H new ATOM 0 HE ARG A 67 -18.811 11.696 0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.713 8.747 -0.364 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.450 8.042 1.235 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -17.822 11.091 2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -17.511 9.360 3.075 1.00 0.00 H new ATOM 1065 N LEU A 68 -11.821 11.193 -2.631 1.00 0.00 N ATOM 1066 CA LEU A 68 -10.843 10.505 -3.521 1.00 0.00 C ATOM 1067 C LEU A 68 -9.945 9.553 -2.722 1.00 0.00 C ATOM 1068 O LEU A 68 -9.306 9.940 -1.764 1.00 0.00 O ATOM 1069 CB LEU A 68 -10.017 11.635 -4.142 1.00 0.00 C ATOM 1070 CG LEU A 68 -10.459 11.852 -5.590 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -10.218 10.575 -6.392 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -11.949 12.199 -5.619 1.00 0.00 C ATOM 0 H LEU A 68 -11.416 11.691 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.339 9.893 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.148 12.553 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.956 11.386 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.886 12.669 -6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.533 10.729 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.157 10.326 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.792 9.758 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.266 12.354 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.522 11.381 -5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.122 13.110 -5.045 1.00 0.00 H new ATOM 1084 N ARG A 69 -9.890 8.308 -3.122 1.00 0.00 N ATOM 1085 CA ARG A 69 -9.030 7.320 -2.407 1.00 0.00 C ATOM 1086 C ARG A 69 -7.784 7.023 -3.244 1.00 0.00 C ATOM 1087 O ARG A 69 -7.767 7.246 -4.436 1.00 0.00 O ATOM 1088 CB ARG A 69 -9.893 6.065 -2.280 1.00 0.00 C ATOM 1089 CG ARG A 69 -10.471 5.977 -0.868 1.00 0.00 C ATOM 1090 CD ARG A 69 -10.837 4.524 -0.560 1.00 0.00 C ATOM 1091 NE ARG A 69 -9.897 4.112 0.520 1.00 0.00 N ATOM 1092 CZ ARG A 69 -10.293 3.281 1.445 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -11.313 2.499 1.226 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -9.668 3.231 2.590 1.00 0.00 N ATOM 0 H ARG A 69 -10.407 7.933 -3.917 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.694 7.684 -1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.700 6.091 -3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.296 5.179 -2.495 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.745 6.343 -0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.353 6.612 -0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.874 4.438 -0.235 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.726 3.893 -1.442 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.945 4.479 0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.802 2.537 0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.622 1.850 1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.869 3.842 2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.978 2.581 3.312 1.00 0.00 H new ATOM 1108 N ALA A 70 -6.741 6.525 -2.633 1.00 0.00 N ATOM 1109 CA ALA A 70 -5.497 6.223 -3.406 1.00 0.00 C ATOM 1110 C ALA A 70 -5.716 5.040 -4.351 1.00 0.00 C ATOM 1111 O ALA A 70 -6.510 4.157 -4.090 1.00 0.00 O ATOM 1112 CB ALA A 70 -4.442 5.867 -2.355 1.00 0.00 C ATOM 0 H ALA A 70 -6.695 6.315 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.196 7.070 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.500 5.633 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.298 6.713 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.776 5.001 -1.783 1.00 0.00 H new ATOM 1118 N ARG A 71 -5.002 5.012 -5.442 1.00 0.00 N ATOM 1119 CA ARG A 71 -5.145 3.885 -6.408 1.00 0.00 C ATOM 1120 C ARG A 71 -3.828 3.108 -6.489 1.00 0.00 C ATOM 1121 O ARG A 71 -3.809 1.918 -6.732 1.00 0.00 O ATOM 1122 CB ARG A 71 -5.466 4.546 -7.749 1.00 0.00 C ATOM 1123 CG ARG A 71 -5.300 3.526 -8.875 1.00 0.00 C ATOM 1124 CD ARG A 71 -6.443 3.684 -9.879 1.00 0.00 C ATOM 1125 NE ARG A 71 -5.811 4.279 -11.090 1.00 0.00 N ATOM 1126 CZ ARG A 71 -6.378 4.138 -12.256 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -6.742 2.953 -12.666 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -6.583 5.183 -13.011 1.00 0.00 N ATOM 0 H ARG A 71 -4.322 5.724 -5.708 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.921 3.177 -6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.485 4.932 -7.741 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.805 5.397 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.341 3.671 -9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.297 2.515 -8.467 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.905 2.723 -10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.228 4.330 -9.485 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.936 4.796 -11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.583 2.137 -12.074 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.185 2.843 -13.578 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.300 6.108 -12.689 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.026 5.074 -13.923 1.00 0.00 H new ATOM 1142 N LYS A 72 -2.725 3.776 -6.282 1.00 0.00 N ATOM 1143 CA LYS A 72 -1.406 3.084 -6.342 1.00 0.00 C ATOM 1144 C LYS A 72 -0.415 3.768 -5.386 1.00 0.00 C ATOM 1145 O LYS A 72 -0.255 4.973 -5.401 1.00 0.00 O ATOM 1146 CB LYS A 72 -0.972 3.211 -7.817 1.00 0.00 C ATOM 1147 CG LYS A 72 0.492 3.661 -7.931 1.00 0.00 C ATOM 1148 CD LYS A 72 1.400 2.629 -7.258 1.00 0.00 C ATOM 1149 CE LYS A 72 1.974 1.682 -8.316 1.00 0.00 C ATOM 1150 NZ LYS A 72 3.436 1.967 -8.337 1.00 0.00 N ATOM 0 H LYS A 72 -2.681 4.773 -6.073 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.449 2.040 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.100 2.252 -8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.616 3.927 -8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.768 3.774 -8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.621 4.636 -7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.209 3.132 -6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.837 2.063 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.779 0.640 -8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.523 1.861 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.899 1.355 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.592 2.964 -8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.839 1.781 -7.397 1.00 0.00 H new ATOM 1164 N GLU A 73 0.250 3.008 -4.558 1.00 0.00 N ATOM 1165 CA GLU A 73 1.226 3.620 -3.610 1.00 0.00 C ATOM 1166 C GLU A 73 2.271 4.426 -4.386 1.00 0.00 C ATOM 1167 O GLU A 73 3.299 3.913 -4.780 1.00 0.00 O ATOM 1168 CB GLU A 73 1.881 2.440 -2.891 1.00 0.00 C ATOM 1169 CG GLU A 73 2.532 1.511 -3.917 1.00 0.00 C ATOM 1170 CD GLU A 73 2.132 0.064 -3.622 1.00 0.00 C ATOM 1171 OE1 GLU A 73 2.631 -0.482 -2.652 1.00 0.00 O ATOM 1172 OE2 GLU A 73 1.335 -0.474 -4.373 1.00 0.00 O ATOM 0 H GLU A 73 0.160 1.994 -4.497 1.00 0.00 H new ATOM 0 HA GLU A 73 0.749 4.304 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.630 2.801 -2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.135 1.894 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.219 1.788 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.616 1.614 -3.880 1.00 0.00 H new ATOM 1179 N CYS A 74 2.011 5.685 -4.609 1.00 0.00 N ATOM 1180 CA CYS A 74 2.986 6.527 -5.362 1.00 0.00 C ATOM 1181 C CYS A 74 2.510 7.983 -5.411 1.00 0.00 C ATOM 1182 O CYS A 74 3.303 8.902 -5.475 1.00 0.00 O ATOM 1183 CB CYS A 74 3.017 5.932 -6.769 1.00 0.00 C ATOM 1184 SG CYS A 74 4.340 6.716 -7.724 1.00 0.00 S ATOM 0 H CYS A 74 1.166 6.168 -4.303 1.00 0.00 H new ATOM 0 HA CYS A 74 3.971 6.531 -4.894 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.180 4.855 -6.717 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.057 6.086 -7.262 1.00 0.00 H new ATOM 0 HG CYS A 74 5.145 7.342 -6.918 1.00 0.00 H new ATOM 1190 N TRP A 75 1.223 8.202 -5.386 1.00 0.00 N ATOM 1191 CA TRP A 75 0.702 9.597 -5.436 1.00 0.00 C ATOM 1192 C TRP A 75 0.931 10.292 -4.086 1.00 0.00 C ATOM 1193 O TRP A 75 0.452 9.852 -3.059 1.00 0.00 O ATOM 1194 CB TRP A 75 -0.800 9.440 -5.749 1.00 0.00 C ATOM 1195 CG TRP A 75 -1.607 10.459 -4.996 1.00 0.00 C ATOM 1196 CD1 TRP A 75 -1.378 11.790 -5.026 1.00 0.00 C ATOM 1197 CD2 TRP A 75 -2.748 10.260 -4.104 1.00 0.00 C ATOM 1198 NE1 TRP A 75 -2.303 12.424 -4.218 1.00 0.00 N ATOM 1199 CE2 TRP A 75 -3.168 11.526 -3.627 1.00 0.00 C ATOM 1200 CE3 TRP A 75 -3.453 9.124 -3.666 1.00 0.00 C ATOM 1201 CZ2 TRP A 75 -4.246 11.658 -2.751 1.00 0.00 C ATOM 1202 CZ3 TRP A 75 -4.539 9.255 -2.785 1.00 0.00 C ATOM 1203 CH2 TRP A 75 -4.934 10.519 -2.328 1.00 0.00 C ATOM 0 H TRP A 75 0.510 7.474 -5.333 1.00 0.00 H new ATOM 0 HA TRP A 75 1.202 10.213 -6.183 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.968 9.555 -6.820 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -1.130 8.436 -5.480 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -0.598 12.280 -5.590 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.342 13.433 -4.076 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -3.157 8.144 -4.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.546 12.635 -2.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -5.073 8.375 -2.458 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.769 10.612 -1.650 1.00 0.00 H new ATOM 1214 N ASP A 76 1.655 11.379 -4.087 1.00 0.00 N ATOM 1215 CA ASP A 76 1.913 12.110 -2.813 1.00 0.00 C ATOM 1216 C ASP A 76 0.704 12.974 -2.450 1.00 0.00 C ATOM 1217 O ASP A 76 0.375 13.919 -3.139 1.00 0.00 O ATOM 1218 CB ASP A 76 3.133 12.986 -3.103 1.00 0.00 C ATOM 1219 CG ASP A 76 4.406 12.148 -2.968 1.00 0.00 C ATOM 1220 OD1 ASP A 76 4.355 10.974 -3.295 1.00 0.00 O ATOM 1221 OD2 ASP A 76 5.409 12.695 -2.540 1.00 0.00 O ATOM 0 H ASP A 76 2.080 11.793 -4.917 1.00 0.00 H new ATOM 0 HA ASP A 76 2.086 11.436 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.064 13.403 -4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.163 13.827 -2.410 1.00 0.00 H new ATOM 1226 N ARG A 77 0.036 12.656 -1.376 1.00 0.00 N ATOM 1227 CA ARG A 77 -1.154 13.459 -0.973 1.00 0.00 C ATOM 1228 C ARG A 77 -0.776 14.936 -0.829 1.00 0.00 C ATOM 1229 O ARG A 77 -1.379 15.802 -1.430 1.00 0.00 O ATOM 1230 CB ARG A 77 -1.577 12.883 0.379 1.00 0.00 C ATOM 1231 CG ARG A 77 -3.079 12.590 0.363 1.00 0.00 C ATOM 1232 CD ARG A 77 -3.737 13.222 1.592 1.00 0.00 C ATOM 1233 NE ARG A 77 -4.653 12.172 2.121 1.00 0.00 N ATOM 1234 CZ ARG A 77 -5.130 12.268 3.333 1.00 0.00 C ATOM 1235 NH1 ARG A 77 -6.070 13.132 3.597 1.00 0.00 N ATOM 1236 NH2 ARG A 77 -4.667 11.499 4.281 1.00 0.00 N ATOM 0 H ARG A 77 0.262 11.875 -0.760 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.955 13.408 -1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.020 11.970 0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.342 13.588 1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.528 12.987 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.250 11.514 0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.993 13.508 2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.285 14.126 1.326 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.908 11.377 1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.433 13.733 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.443 13.207 4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.932 10.822 4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.040 11.575 5.227 1.00 0.00 H new ATOM 1250 N ASP A 78 0.215 15.227 -0.032 1.00 0.00 N ATOM 1251 CA ASP A 78 0.628 16.648 0.158 1.00 0.00 C ATOM 1252 C ASP A 78 2.039 16.872 -0.392 1.00 0.00 C ATOM 1253 O ASP A 78 2.480 17.991 -0.564 1.00 0.00 O ATOM 1254 CB ASP A 78 0.609 16.856 1.672 1.00 0.00 C ATOM 1255 CG ASP A 78 -0.400 17.950 2.024 1.00 0.00 C ATOM 1256 OD1 ASP A 78 -0.100 19.107 1.783 1.00 0.00 O ATOM 1257 OD2 ASP A 78 -1.458 17.610 2.528 1.00 0.00 O ATOM 0 H ASP A 78 0.757 14.543 0.496 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.028 17.343 -0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.343 15.926 2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.602 17.136 2.024 1.00 0.00 H new ATOM 1262 N GLY A 79 2.752 15.815 -0.661 1.00 0.00 N ATOM 1263 CA GLY A 79 4.136 15.963 -1.192 1.00 0.00 C ATOM 1264 C GLY A 79 5.013 14.860 -0.601 1.00 0.00 C ATOM 1265 O GLY A 79 6.039 14.504 -1.146 1.00 0.00 O ATOM 0 H GLY A 79 2.436 14.853 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.131 15.899 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.537 16.943 -0.932 1.00 0.00 H new ATOM 1269 N LYS A 80 4.607 14.314 0.511 1.00 0.00 N ATOM 1270 CA LYS A 80 5.402 13.226 1.145 1.00 0.00 C ATOM 1271 C LYS A 80 5.010 11.878 0.537 1.00 0.00 C ATOM 1272 O LYS A 80 3.935 11.725 -0.007 1.00 0.00 O ATOM 1273 CB LYS A 80 5.027 13.278 2.625 1.00 0.00 C ATOM 1274 CG LYS A 80 5.328 14.670 3.180 1.00 0.00 C ATOM 1275 CD LYS A 80 6.617 14.622 4.001 1.00 0.00 C ATOM 1276 CE LYS A 80 7.422 15.902 3.764 1.00 0.00 C ATOM 1277 NZ LYS A 80 8.626 15.758 4.629 1.00 0.00 N ATOM 0 H LYS A 80 3.756 14.575 1.009 1.00 0.00 H new ATOM 0 HA LYS A 80 6.475 13.347 0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.970 13.046 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.587 12.525 3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.430 15.385 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.501 15.012 3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.382 14.518 5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.208 13.751 3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.699 16.007 2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.846 16.787 4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.231 16.597 4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.331 15.666 5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.157 14.910 4.346 1.00 0.00 H new ATOM 1291 N GLU A 81 5.867 10.902 0.621 1.00 0.00 N ATOM 1292 CA GLU A 81 5.530 9.571 0.039 1.00 0.00 C ATOM 1293 C GLU A 81 4.421 8.905 0.854 1.00 0.00 C ATOM 1294 O GLU A 81 4.515 8.765 2.057 1.00 0.00 O ATOM 1295 CB GLU A 81 6.820 8.758 0.113 1.00 0.00 C ATOM 1296 CG GLU A 81 7.969 9.575 -0.480 1.00 0.00 C ATOM 1297 CD GLU A 81 7.544 10.162 -1.829 1.00 0.00 C ATOM 1298 OE1 GLU A 81 6.690 9.571 -2.469 1.00 0.00 O ATOM 1299 OE2 GLU A 81 8.080 11.194 -2.199 1.00 0.00 O ATOM 0 H GLU A 81 6.783 10.965 1.065 1.00 0.00 H new ATOM 0 HA GLU A 81 5.166 9.651 -0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.040 8.498 1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.705 7.822 -0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.249 10.376 0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.848 8.944 -0.608 1.00 0.00 H new ATOM 1306 N ARG A 82 3.367 8.502 0.202 1.00 0.00 N ATOM 1307 CA ARG A 82 2.239 7.852 0.933 1.00 0.00 C ATOM 1308 C ARG A 82 1.967 6.450 0.374 1.00 0.00 C ATOM 1309 O ARG A 82 2.564 6.030 -0.597 1.00 0.00 O ATOM 1310 CB ARG A 82 1.039 8.768 0.694 1.00 0.00 C ATOM 1311 CG ARG A 82 1.089 9.943 1.671 1.00 0.00 C ATOM 1312 CD ARG A 82 0.854 9.433 3.094 1.00 0.00 C ATOM 1313 NE ARG A 82 1.990 9.974 3.892 1.00 0.00 N ATOM 1314 CZ ARG A 82 2.260 9.470 5.065 1.00 0.00 C ATOM 1315 NH1 ARG A 82 2.558 8.206 5.179 1.00 0.00 N ATOM 1316 NH2 ARG A 82 2.233 10.232 6.124 1.00 0.00 N ATOM 0 H ARG A 82 3.236 8.594 -0.805 1.00 0.00 H new ATOM 0 HA ARG A 82 2.456 7.726 1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.047 9.135 -0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.111 8.211 0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.056 10.442 1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.331 10.681 1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.103 9.780 3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.834 8.344 3.124 1.00 0.00 H new ATOM 0 HE ARG A 82 2.556 10.738 3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.580 7.611 4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.769 7.812 6.096 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.001 11.221 6.035 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.444 9.838 7.041 1.00 0.00 H new ATOM 1330 N VAL A 83 1.066 5.727 0.985 1.00 0.00 N ATOM 1331 CA VAL A 83 0.747 4.349 0.500 1.00 0.00 C ATOM 1332 C VAL A 83 -0.724 4.254 0.092 1.00 0.00 C ATOM 1333 O VAL A 83 -1.502 5.155 0.334 1.00 0.00 O ATOM 1334 CB VAL A 83 0.999 3.446 1.705 1.00 0.00 C ATOM 1335 CG1 VAL A 83 0.197 3.967 2.900 1.00 0.00 C ATOM 1336 CG2 VAL A 83 0.539 2.026 1.373 1.00 0.00 C ATOM 0 H VAL A 83 0.535 6.031 1.801 1.00 0.00 H new ATOM 0 HA VAL A 83 1.345 4.074 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 83 2.062 3.443 1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.373 3.326 3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.511 4.984 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.865 3.962 2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.717 1.376 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.525 2.034 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.097 1.654 0.514 1.00 0.00 H new ATOM 1346 N THR A 84 -1.121 3.161 -0.507 1.00 0.00 N ATOM 1347 CA THR A 84 -2.550 3.015 -0.896 1.00 0.00 C ATOM 1348 C THR A 84 -3.421 3.232 0.340 1.00 0.00 C ATOM 1349 O THR A 84 -2.942 3.650 1.376 1.00 0.00 O ATOM 1350 CB THR A 84 -2.695 1.581 -1.410 1.00 0.00 C ATOM 1351 OG1 THR A 84 -1.431 0.931 -1.379 1.00 0.00 O ATOM 1352 CG2 THR A 84 -3.224 1.604 -2.843 1.00 0.00 C ATOM 0 H THR A 84 -0.521 2.370 -0.741 1.00 0.00 H new ATOM 0 HA THR A 84 -2.855 3.735 -1.655 1.00 0.00 H new ATOM 0 HB THR A 84 -3.394 1.038 -0.774 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.527 0.013 -1.707 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.327 0.583 -3.209 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.196 2.097 -2.864 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.527 2.149 -3.480 1.00 0.00 H new ATOM 1360 N GLY A 85 -4.691 2.964 0.255 1.00 0.00 N ATOM 1361 CA GLY A 85 -5.563 3.173 1.446 1.00 0.00 C ATOM 1362 C GLY A 85 -5.723 4.675 1.693 1.00 0.00 C ATOM 1363 O GLY A 85 -6.822 5.190 1.733 1.00 0.00 O ATOM 0 H GLY A 85 -5.162 2.612 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.538 2.713 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.125 2.693 2.321 1.00 0.00 H new ATOM 1367 N GLU A 86 -4.635 5.387 1.846 1.00 0.00 N ATOM 1368 CA GLU A 86 -4.738 6.856 2.074 1.00 0.00 C ATOM 1369 C GLU A 86 -5.760 7.445 1.096 1.00 0.00 C ATOM 1370 O GLU A 86 -6.034 6.872 0.062 1.00 0.00 O ATOM 1371 CB GLU A 86 -3.322 7.383 1.797 1.00 0.00 C ATOM 1372 CG GLU A 86 -3.359 8.866 1.415 1.00 0.00 C ATOM 1373 CD GLU A 86 -2.411 9.647 2.327 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -2.098 9.144 3.392 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -2.015 10.734 1.943 1.00 0.00 O ATOM 0 H GLU A 86 -3.686 5.015 1.823 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.072 7.123 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.699 7.246 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.865 6.807 0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.066 8.992 0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.374 9.253 1.510 1.00 0.00 H new ATOM 1382 N GLU A 87 -6.343 8.568 1.408 1.00 0.00 N ATOM 1383 CA GLU A 87 -7.347 9.148 0.476 1.00 0.00 C ATOM 1384 C GLU A 87 -7.468 10.662 0.667 1.00 0.00 C ATOM 1385 O GLU A 87 -7.363 11.176 1.764 1.00 0.00 O ATOM 1386 CB GLU A 87 -8.656 8.457 0.845 1.00 0.00 C ATOM 1387 CG GLU A 87 -9.001 8.761 2.305 1.00 0.00 C ATOM 1388 CD GLU A 87 -9.948 7.685 2.841 1.00 0.00 C ATOM 1389 OE1 GLU A 87 -9.894 6.575 2.340 1.00 0.00 O ATOM 1390 OE2 GLU A 87 -10.709 7.991 3.744 1.00 0.00 O ATOM 0 H GLU A 87 -6.170 9.104 2.258 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.072 8.994 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.458 8.801 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.565 7.381 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.092 8.792 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.468 9.743 2.382 1.00 0.00 H new ATOM 1397 N TRP A 88 -7.698 11.372 -0.401 1.00 0.00 N ATOM 1398 CA TRP A 88 -7.843 12.852 -0.312 1.00 0.00 C ATOM 1399 C TRP A 88 -9.297 13.231 -0.636 1.00 0.00 C ATOM 1400 O TRP A 88 -10.026 12.457 -1.221 1.00 0.00 O ATOM 1401 CB TRP A 88 -6.844 13.390 -1.352 1.00 0.00 C ATOM 1402 CG TRP A 88 -7.410 14.564 -2.086 1.00 0.00 C ATOM 1403 CD1 TRP A 88 -8.012 14.503 -3.296 1.00 0.00 C ATOM 1404 CD2 TRP A 88 -7.433 15.962 -1.685 1.00 0.00 C ATOM 1405 NE1 TRP A 88 -8.402 15.775 -3.664 1.00 0.00 N ATOM 1406 CE2 TRP A 88 -8.068 16.711 -2.703 1.00 0.00 C ATOM 1407 CE3 TRP A 88 -6.970 16.646 -0.548 1.00 0.00 C ATOM 1408 CZ2 TRP A 88 -8.238 18.092 -2.596 1.00 0.00 C ATOM 1409 CZ3 TRP A 88 -7.138 18.036 -0.437 1.00 0.00 C ATOM 1410 CH2 TRP A 88 -7.770 18.757 -1.459 1.00 0.00 C ATOM 0 H TRP A 88 -7.793 10.987 -1.341 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.635 13.266 0.675 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.918 13.680 -0.855 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.592 12.601 -2.061 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -8.163 13.606 -3.879 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -8.878 15.997 -4.538 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.482 16.099 0.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.727 18.643 -3.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.778 18.552 0.441 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -7.895 19.826 -1.368 1.00 0.00 H new ATOM 1421 N LEU A 89 -9.732 14.399 -0.245 1.00 0.00 N ATOM 1422 CA LEU A 89 -11.148 14.788 -0.522 1.00 0.00 C ATOM 1423 C LEU A 89 -11.218 15.984 -1.480 1.00 0.00 C ATOM 1424 O LEU A 89 -10.612 17.012 -1.256 1.00 0.00 O ATOM 1425 CB LEU A 89 -11.721 15.167 0.851 1.00 0.00 C ATOM 1426 CG LEU A 89 -13.267 15.237 0.830 1.00 0.00 C ATOM 1427 CD1 LEU A 89 -13.806 15.306 -0.598 1.00 0.00 C ATOM 1428 CD2 LEU A 89 -13.835 13.997 1.523 1.00 0.00 C ATOM 0 H LEU A 89 -9.175 15.096 0.250 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.704 13.982 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.400 14.436 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.318 16.132 1.159 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.574 16.143 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.895 15.354 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.414 16.195 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.494 14.418 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.924 14.041 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.502 13.102 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.484 13.964 2.554 1.00 0.00 H new ATOM 1440 N VAL A 90 -11.974 15.856 -2.539 1.00 0.00 N ATOM 1441 CA VAL A 90 -12.111 16.982 -3.510 1.00 0.00 C ATOM 1442 C VAL A 90 -13.328 17.840 -3.139 1.00 0.00 C ATOM 1443 O VAL A 90 -14.461 17.427 -3.299 1.00 0.00 O ATOM 1444 CB VAL A 90 -12.331 16.312 -4.869 1.00 0.00 C ATOM 1445 CG1 VAL A 90 -12.873 17.335 -5.868 1.00 0.00 C ATOM 1446 CG2 VAL A 90 -11.002 15.758 -5.385 1.00 0.00 C ATOM 0 H VAL A 90 -12.504 15.017 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.238 17.635 -3.515 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.049 15.500 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.028 16.854 -6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.821 17.732 -5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.157 18.149 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.158 15.281 -6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.286 16.572 -5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.614 15.025 -4.677 1.00 0.00 H new ATOM 1456 N THR A 91 -13.105 19.027 -2.636 1.00 0.00 N ATOM 1457 CA THR A 91 -14.251 19.899 -2.249 1.00 0.00 C ATOM 1458 C THR A 91 -14.117 21.289 -2.883 1.00 0.00 C ATOM 1459 O THR A 91 -14.301 22.297 -2.229 1.00 0.00 O ATOM 1460 CB THR A 91 -14.163 19.997 -0.726 1.00 0.00 C ATOM 1461 OG1 THR A 91 -13.752 18.745 -0.196 1.00 0.00 O ATOM 1462 CG2 THR A 91 -15.531 20.367 -0.161 1.00 0.00 C ATOM 0 H THR A 91 -12.181 19.428 -2.477 1.00 0.00 H new ATOM 0 HA THR A 91 -15.206 19.496 -2.587 1.00 0.00 H new ATOM 0 HB THR A 91 -13.438 20.763 -0.450 1.00 0.00 H new ATOM 0 HG1 THR A 91 -13.693 18.806 0.780 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.469 20.437 0.925 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.846 21.327 -0.569 1.00 0.00 H new ATOM 0 HG23 THR A 91 -16.257 19.601 -0.434 1.00 0.00 H new ATOM 1470 N THR A 92 -13.804 21.353 -4.148 1.00 0.00 N ATOM 1471 CA THR A 92 -13.669 22.683 -4.812 1.00 0.00 C ATOM 1472 C THR A 92 -14.852 22.924 -5.757 1.00 0.00 C ATOM 1473 O THR A 92 -15.204 22.079 -6.554 1.00 0.00 O ATOM 1474 CB THR A 92 -12.359 22.607 -5.598 1.00 0.00 C ATOM 1475 OG1 THR A 92 -11.302 22.251 -4.717 1.00 0.00 O ATOM 1476 CG2 THR A 92 -12.060 23.969 -6.230 1.00 0.00 C ATOM 0 H THR A 92 -13.636 20.546 -4.749 1.00 0.00 H new ATOM 0 HA THR A 92 -13.663 23.503 -4.094 1.00 0.00 H new ATOM 0 HB THR A 92 -12.449 21.857 -6.383 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.564 22.889 -4.817 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.126 23.913 -6.790 1.00 0.00 H new ATOM 0 HG22 THR A 92 -12.871 24.243 -6.904 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.969 24.722 -5.447 1.00 0.00 H new ATOM 1484 N VAL A 93 -15.472 24.072 -5.667 1.00 0.00 N ATOM 1485 CA VAL A 93 -16.636 24.367 -6.555 1.00 0.00 C ATOM 1486 C VAL A 93 -16.183 24.478 -8.012 1.00 0.00 C ATOM 1487 O VAL A 93 -15.067 24.869 -8.295 1.00 0.00 O ATOM 1488 CB VAL A 93 -17.177 25.709 -6.065 1.00 0.00 C ATOM 1489 CG1 VAL A 93 -17.698 25.558 -4.636 1.00 0.00 C ATOM 1490 CG2 VAL A 93 -16.055 26.748 -6.093 1.00 0.00 C ATOM 0 H VAL A 93 -15.223 24.818 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 93 -17.389 23.580 -6.516 1.00 0.00 H new ATOM 0 HB VAL A 93 -17.990 26.033 -6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -18.084 26.516 -4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -18.496 24.816 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -16.886 25.235 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -16.438 27.707 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -15.242 26.424 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -15.684 26.855 -7.112 1.00 0.00 H new ATOM 1500 N GLY A 94 -17.044 24.143 -8.937 1.00 0.00 N ATOM 1501 CA GLY A 94 -16.672 24.231 -10.378 1.00 0.00 C ATOM 1502 C GLY A 94 -15.241 23.730 -10.570 1.00 0.00 C ATOM 1503 O GLY A 94 -14.309 24.503 -10.640 1.00 0.00 O ATOM 0 H GLY A 94 -17.991 23.811 -8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -17.360 23.636 -10.978 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.757 25.261 -10.724 1.00 0.00 H new ATOM 1507 N ALA A 95 -15.059 22.442 -10.655 1.00 0.00 N ATOM 1508 CA ALA A 95 -13.685 21.895 -10.840 1.00 0.00 C ATOM 1509 C ALA A 95 -13.753 20.479 -11.405 1.00 0.00 C ATOM 1510 O ALA A 95 -14.671 19.736 -11.118 1.00 0.00 O ATOM 1511 CB ALA A 95 -13.073 21.885 -9.444 1.00 0.00 C ATOM 0 H ALA A 95 -15.801 21.744 -10.604 1.00 0.00 H new ATOM 0 HA ALA A 95 -13.095 22.487 -11.539 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.057 21.494 -9.495 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.052 22.901 -9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.672 21.253 -8.788 1.00 0.00 H new ATOM 1517 N TYR A 96 -12.795 20.102 -12.210 1.00 0.00 N ATOM 1518 CA TYR A 96 -12.818 18.735 -12.800 1.00 0.00 C ATOM 1519 C TYR A 96 -11.448 18.054 -12.687 1.00 0.00 C ATOM 1520 O TYR A 96 -10.855 17.665 -13.674 1.00 0.00 O ATOM 1521 CB TYR A 96 -13.184 18.957 -14.266 1.00 0.00 C ATOM 1522 CG TYR A 96 -13.035 17.662 -15.024 1.00 0.00 C ATOM 1523 CD1 TYR A 96 -13.591 16.487 -14.509 1.00 0.00 C ATOM 1524 CD2 TYR A 96 -12.335 17.634 -16.236 1.00 0.00 C ATOM 1525 CE1 TYR A 96 -13.453 15.281 -15.207 1.00 0.00 C ATOM 1526 CE2 TYR A 96 -12.195 16.430 -16.935 1.00 0.00 C ATOM 1527 CZ TYR A 96 -12.754 15.253 -16.420 1.00 0.00 C ATOM 1528 OH TYR A 96 -12.616 14.066 -17.110 1.00 0.00 O ATOM 0 H TYR A 96 -12.001 20.681 -12.483 1.00 0.00 H new ATOM 0 HA TYR A 96 -13.522 18.083 -12.284 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -14.208 19.321 -14.345 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -12.540 19.721 -14.701 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -14.127 16.510 -13.572 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -11.903 18.541 -16.631 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.885 14.374 -14.810 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.656 16.408 -17.871 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.105 14.223 -17.931 1.00 0.00 H new ATOM 1538 N LEU A 97 -10.946 17.886 -11.493 1.00 0.00 N ATOM 1539 CA LEU A 97 -9.626 17.205 -11.336 1.00 0.00 C ATOM 1540 C LEU A 97 -9.801 15.915 -10.530 1.00 0.00 C ATOM 1541 O LEU A 97 -9.895 15.943 -9.319 1.00 0.00 O ATOM 1542 CB LEU A 97 -8.716 18.197 -10.598 1.00 0.00 C ATOM 1543 CG LEU A 97 -9.509 18.967 -9.539 1.00 0.00 C ATOM 1544 CD1 LEU A 97 -8.606 19.251 -8.337 1.00 0.00 C ATOM 1545 CD2 LEU A 97 -9.990 20.291 -10.136 1.00 0.00 C ATOM 0 H LEU A 97 -11.388 18.188 -10.625 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.194 16.928 -12.298 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.892 17.662 -10.126 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.276 18.895 -11.310 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.366 18.375 -9.219 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.168 19.799 -7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.254 18.309 -7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.751 19.847 -8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.556 20.844 -9.386 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.130 20.882 -10.451 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.628 20.091 -10.997 1.00 0.00 H new ATOM 1557 N PRO A 98 -9.852 14.820 -11.245 1.00 0.00 N ATOM 1558 CA PRO A 98 -10.032 13.490 -10.609 1.00 0.00 C ATOM 1559 C PRO A 98 -8.728 12.976 -9.979 1.00 0.00 C ATOM 1560 O PRO A 98 -8.590 11.799 -9.708 1.00 0.00 O ATOM 1561 CB PRO A 98 -10.450 12.596 -11.772 1.00 0.00 C ATOM 1562 CG PRO A 98 -9.901 13.255 -13.001 1.00 0.00 C ATOM 1563 CD PRO A 98 -9.751 14.728 -12.705 1.00 0.00 C ATOM 0 HA PRO A 98 -10.757 13.516 -9.795 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.051 11.588 -11.656 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -11.535 12.505 -11.827 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.939 12.819 -13.271 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -10.569 13.101 -13.848 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.794 15.109 -13.062 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.530 15.313 -13.195 1.00 0.00 H new ATOM 1571 N ALA A 99 -7.772 13.834 -9.741 1.00 0.00 N ATOM 1572 CA ALA A 99 -6.488 13.374 -9.128 1.00 0.00 C ATOM 1573 C ALA A 99 -5.693 12.529 -10.125 1.00 0.00 C ATOM 1574 O ALA A 99 -6.104 12.327 -11.251 1.00 0.00 O ATOM 1575 CB ALA A 99 -6.897 12.529 -7.918 1.00 0.00 C ATOM 0 H ALA A 99 -7.823 14.832 -9.944 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.851 14.211 -8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.004 12.156 -7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.474 13.141 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.505 11.687 -8.251 1.00 0.00 H new ATOM 1581 N VAL A 100 -4.557 12.032 -9.719 1.00 0.00 N ATOM 1582 CA VAL A 100 -3.732 11.198 -10.641 1.00 0.00 C ATOM 1583 C VAL A 100 -3.896 9.716 -10.287 1.00 0.00 C ATOM 1584 O VAL A 100 -4.368 8.926 -11.083 1.00 0.00 O ATOM 1585 CB VAL A 100 -2.285 11.650 -10.416 1.00 0.00 C ATOM 1586 CG1 VAL A 100 -1.428 11.241 -11.617 1.00 0.00 C ATOM 1587 CG2 VAL A 100 -2.236 13.174 -10.257 1.00 0.00 C ATOM 0 H VAL A 100 -4.163 12.167 -8.788 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.029 11.316 -11.683 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.900 11.178 -9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.399 11.563 -11.456 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.456 10.157 -11.731 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.818 11.711 -12.520 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.205 13.490 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.625 13.647 -11.159 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.843 13.470 -9.402 1.00 0.00 H new ATOM 1597 N PHE A 101 -3.516 9.334 -9.096 1.00 0.00 N ATOM 1598 CA PHE A 101 -3.656 7.905 -8.684 1.00 0.00 C ATOM 1599 C PHE A 101 -4.787 7.765 -7.665 1.00 0.00 C ATOM 1600 O PHE A 101 -4.621 7.150 -6.629 1.00 0.00 O ATOM 1601 CB PHE A 101 -2.328 7.540 -8.019 1.00 0.00 C ATOM 1602 CG PHE A 101 -1.194 7.688 -8.999 1.00 0.00 C ATOM 1603 CD1 PHE A 101 -1.408 7.460 -10.362 1.00 0.00 C ATOM 1604 CD2 PHE A 101 0.075 8.050 -8.538 1.00 0.00 C ATOM 1605 CE1 PHE A 101 -0.349 7.596 -11.266 1.00 0.00 C ATOM 1606 CE2 PHE A 101 1.135 8.185 -9.440 1.00 0.00 C ATOM 1607 CZ PHE A 101 0.923 7.959 -10.805 1.00 0.00 C ATOM 0 H PHE A 101 -3.114 9.950 -8.390 1.00 0.00 H new ATOM 0 HA PHE A 101 -3.885 7.261 -9.533 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.157 8.183 -7.155 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.368 6.515 -7.651 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.389 7.179 -10.716 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.237 8.226 -7.485 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.512 7.421 -12.319 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.116 8.463 -9.084 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.740 8.065 -11.503 1.00 0.00 H new ATOM 1617 N GLU A 102 -5.928 8.338 -7.928 1.00 0.00 N ATOM 1618 CA GLU A 102 -7.033 8.231 -6.936 1.00 0.00 C ATOM 1619 C GLU A 102 -8.381 7.987 -7.618 1.00 0.00 C ATOM 1620 O GLU A 102 -8.572 8.281 -8.781 1.00 0.00 O ATOM 1621 CB GLU A 102 -7.043 9.578 -6.210 1.00 0.00 C ATOM 1622 CG GLU A 102 -5.607 10.007 -5.898 1.00 0.00 C ATOM 1623 CD GLU A 102 -5.622 11.351 -5.170 1.00 0.00 C ATOM 1624 OE1 GLU A 102 -6.397 11.490 -4.239 1.00 0.00 O ATOM 1625 OE2 GLU A 102 -4.854 12.219 -5.555 1.00 0.00 O ATOM 0 H GLU A 102 -6.142 8.868 -8.773 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.879 7.390 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.532 10.331 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.618 9.500 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.117 9.253 -5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.032 10.088 -6.820 1.00 0.00 H new ATOM 1632 N GLU A 103 -9.322 7.459 -6.882 1.00 0.00 N ATOM 1633 CA GLU A 103 -10.677 7.197 -7.454 1.00 0.00 C ATOM 1634 C GLU A 103 -11.747 7.725 -6.491 1.00 0.00 C ATOM 1635 O GLU A 103 -11.463 8.053 -5.358 1.00 0.00 O ATOM 1636 CB GLU A 103 -10.771 5.675 -7.579 1.00 0.00 C ATOM 1637 CG GLU A 103 -9.546 5.144 -8.325 1.00 0.00 C ATOM 1638 CD GLU A 103 -9.917 3.854 -9.059 1.00 0.00 C ATOM 1639 OE1 GLU A 103 -9.982 2.824 -8.408 1.00 0.00 O ATOM 1640 OE2 GLU A 103 -10.131 3.919 -10.258 1.00 0.00 O ATOM 0 H GLU A 103 -9.211 7.196 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.830 7.688 -8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.831 5.222 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.681 5.399 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.188 5.889 -9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.733 4.955 -7.624 1.00 0.00 H new ATOM 1647 N VAL A 104 -12.975 7.811 -6.927 1.00 0.00 N ATOM 1648 CA VAL A 104 -14.041 8.321 -6.017 1.00 0.00 C ATOM 1649 C VAL A 104 -14.686 7.163 -5.256 1.00 0.00 C ATOM 1650 O VAL A 104 -14.820 6.069 -5.765 1.00 0.00 O ATOM 1651 CB VAL A 104 -15.072 8.998 -6.921 1.00 0.00 C ATOM 1652 CG1 VAL A 104 -14.359 9.910 -7.917 1.00 0.00 C ATOM 1653 CG2 VAL A 104 -15.868 7.934 -7.681 1.00 0.00 C ATOM 0 H VAL A 104 -13.284 7.553 -7.864 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.639 9.013 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 104 -15.753 9.591 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.095 10.392 -8.561 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.797 10.671 -7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.675 9.319 -8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.602 8.419 -8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.189 7.338 -8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.381 7.286 -6.970 1.00 0.00 H new ATOM 1663 N LEU A 105 -15.099 7.403 -4.044 1.00 0.00 N ATOM 1664 CA LEU A 105 -15.749 6.323 -3.256 1.00 0.00 C ATOM 1665 C LEU A 105 -17.262 6.536 -3.257 1.00 0.00 C ATOM 1666 O LEU A 105 -18.019 5.673 -2.857 1.00 0.00 O ATOM 1667 CB LEU A 105 -15.180 6.455 -1.837 1.00 0.00 C ATOM 1668 CG LEU A 105 -13.646 6.506 -1.879 1.00 0.00 C ATOM 1669 CD1 LEU A 105 -13.112 5.528 -2.930 1.00 0.00 C ATOM 1670 CD2 LEU A 105 -13.189 7.926 -2.227 1.00 0.00 C ATOM 0 H LEU A 105 -15.014 8.300 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 105 -15.559 5.331 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.568 7.358 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.506 5.612 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 105 -13.257 6.224 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -12.023 5.574 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -13.428 4.516 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -13.504 5.798 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.100 7.961 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.588 8.208 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.554 8.621 -1.471 1.00 0.00 H new ATOM 1682 N ASP A 106 -17.707 7.685 -3.713 1.00 0.00 N ATOM 1683 CA ASP A 106 -19.176 7.973 -3.754 1.00 0.00 C ATOM 1684 C ASP A 106 -19.413 9.478 -3.900 1.00 0.00 C ATOM 1685 O ASP A 106 -18.895 10.272 -3.141 1.00 0.00 O ATOM 1686 CB ASP A 106 -19.736 7.483 -2.414 1.00 0.00 C ATOM 1687 CG ASP A 106 -20.580 6.228 -2.643 1.00 0.00 C ATOM 1688 OD1 ASP A 106 -20.275 5.492 -3.566 1.00 0.00 O ATOM 1689 OD2 ASP A 106 -21.518 6.024 -1.889 1.00 0.00 O ATOM 0 H ASP A 106 -17.112 8.438 -4.060 1.00 0.00 H new ATOM 0 HA ASP A 106 -19.658 7.480 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -18.920 7.265 -1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.342 8.263 -1.954 1.00 0.00 H new ATOM 1694 N LEU A 107 -20.197 9.877 -4.864 1.00 0.00 N ATOM 1695 CA LEU A 107 -20.468 11.332 -5.046 1.00 0.00 C ATOM 1696 C LEU A 107 -21.468 11.805 -3.986 1.00 0.00 C ATOM 1697 O LEU A 107 -22.566 11.296 -3.889 1.00 0.00 O ATOM 1698 CB LEU A 107 -21.074 11.453 -6.446 1.00 0.00 C ATOM 1699 CG LEU A 107 -19.985 11.236 -7.498 1.00 0.00 C ATOM 1700 CD1 LEU A 107 -20.081 9.810 -8.048 1.00 0.00 C ATOM 1701 CD2 LEU A 107 -20.177 12.234 -8.641 1.00 0.00 C ATOM 0 H LEU A 107 -20.661 9.261 -5.532 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.570 11.941 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -21.869 10.718 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -21.526 12.437 -6.574 1.00 0.00 H new ATOM 0 HG LEU A 107 -19.006 11.385 -7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -19.305 9.656 -8.798 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.947 9.097 -7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -21.060 9.661 -8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -19.402 12.081 -9.392 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -21.156 12.083 -9.095 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -20.110 13.250 -8.252 1.00 0.00 H new ATOM 1713 N VAL A 108 -21.100 12.771 -3.189 1.00 0.00 N ATOM 1714 CA VAL A 108 -22.041 13.257 -2.138 1.00 0.00 C ATOM 1715 C VAL A 108 -22.518 14.674 -2.461 1.00 0.00 C ATOM 1716 O VAL A 108 -21.846 15.427 -3.135 1.00 0.00 O ATOM 1717 CB VAL A 108 -21.232 13.247 -0.841 1.00 0.00 C ATOM 1718 CG1 VAL A 108 -20.027 14.180 -0.981 1.00 0.00 C ATOM 1719 CG2 VAL A 108 -22.116 13.728 0.312 1.00 0.00 C ATOM 0 H VAL A 108 -20.196 13.242 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.932 12.633 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.884 12.234 -0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -19.451 14.172 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -19.397 13.840 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -20.373 15.193 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -21.541 13.722 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -22.462 14.741 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -22.975 13.064 0.413 1.00 0.00 H new ATOM 1729 N ASP A 109 -23.676 15.041 -1.985 1.00 0.00 N ATOM 1730 CA ASP A 109 -24.195 16.412 -2.257 1.00 0.00 C ATOM 1731 C ASP A 109 -24.198 17.232 -0.964 1.00 0.00 C ATOM 1732 O ASP A 109 -24.837 16.874 0.006 1.00 0.00 O ATOM 1733 CB ASP A 109 -25.620 16.204 -2.769 1.00 0.00 C ATOM 1734 CG ASP A 109 -25.864 17.108 -3.978 1.00 0.00 C ATOM 1735 OD1 ASP A 109 -24.940 17.803 -4.368 1.00 0.00 O ATOM 1736 OD2 ASP A 109 -26.970 17.092 -4.492 1.00 0.00 O ATOM 0 H ASP A 109 -24.286 14.451 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 109 -23.584 16.954 -2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -25.770 15.160 -3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -26.338 16.431 -1.981 1.00 0.00 H new ATOM 1741 N ALA A 110 -23.486 18.326 -0.934 1.00 0.00 N ATOM 1742 CA ALA A 110 -23.456 19.155 0.309 1.00 0.00 C ATOM 1743 C ALA A 110 -24.881 19.427 0.798 1.00 0.00 C ATOM 1744 O ALA A 110 -25.384 18.759 1.680 1.00 0.00 O ATOM 1745 CB ALA A 110 -22.775 20.460 -0.096 1.00 0.00 C ATOM 0 H ALA A 110 -22.927 18.681 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 110 -22.928 18.656 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -22.716 21.123 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -21.770 20.248 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -23.352 20.942 -0.885 1.00 0.00 H new ATOM 1751 N VAL A 111 -25.532 20.403 0.231 1.00 0.00 N ATOM 1752 CA VAL A 111 -26.922 20.722 0.661 1.00 0.00 C ATOM 1753 C VAL A 111 -27.614 21.580 -0.399 1.00 0.00 C ATOM 1754 O VAL A 111 -27.046 22.520 -0.920 1.00 0.00 O ATOM 1755 CB VAL A 111 -26.764 21.502 1.966 1.00 0.00 C ATOM 1756 CG1 VAL A 111 -26.200 22.894 1.667 1.00 0.00 C ATOM 1757 CG2 VAL A 111 -28.130 21.642 2.641 1.00 0.00 C ATOM 0 H VAL A 111 -25.161 20.995 -0.513 1.00 0.00 H new ATOM 0 HA VAL A 111 -27.531 19.828 0.795 1.00 0.00 H new ATOM 0 HB VAL A 111 -26.081 20.969 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -26.088 23.449 2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -25.228 22.797 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -26.882 23.429 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -28.020 22.198 3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -28.811 22.176 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -28.533 20.652 2.855 1.00 0.00 H new ATOM 1767 N ILE A 112 -28.837 21.264 -0.725 1.00 0.00 N ATOM 1768 CA ILE A 112 -29.564 22.061 -1.755 1.00 0.00 C ATOM 1769 C ILE A 112 -30.947 22.453 -1.224 1.00 0.00 C ATOM 1770 O ILE A 112 -31.102 22.789 -0.067 1.00 0.00 O ATOM 1771 CB ILE A 112 -29.689 21.141 -2.977 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -28.427 20.281 -3.116 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -29.857 21.990 -4.238 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -28.581 19.334 -4.307 1.00 0.00 C ATOM 0 H ILE A 112 -29.365 20.489 -0.323 1.00 0.00 H new ATOM 0 HA ILE A 112 -29.042 22.984 -2.008 1.00 0.00 H new ATOM 0 HB ILE A 112 -30.556 20.493 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -27.554 20.918 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -28.262 19.709 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -29.946 21.338 -5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -30.756 22.600 -4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -28.989 22.638 -4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -27.683 18.723 -4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -29.444 18.688 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -28.725 19.915 -5.218 1.00 0.00 H new ATOM 1786 N LEU A 113 -31.954 22.413 -2.053 1.00 0.00 N ATOM 1787 CA LEU A 113 -33.320 22.785 -1.584 1.00 0.00 C ATOM 1788 C LEU A 113 -33.257 24.036 -0.703 1.00 0.00 C ATOM 1789 O LEU A 113 -33.778 23.987 0.400 1.00 0.00 O ATOM 1790 CB LEU A 113 -33.804 21.582 -0.770 1.00 0.00 C ATOM 1791 CG LEU A 113 -35.253 21.269 -1.141 1.00 0.00 C ATOM 1792 CD1 LEU A 113 -36.080 22.556 -1.096 1.00 0.00 C ATOM 1793 CD2 LEU A 113 -35.300 20.681 -2.553 1.00 0.00 C ATOM 1794 OXT LEU A 113 -32.691 25.022 -1.146 1.00 0.00 O ATOM 0 H LEU A 113 -31.891 22.139 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 113 -33.990 23.013 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -33.171 20.717 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -33.728 21.796 0.296 1.00 0.00 H new ATOM 0 HG LEU A 113 -35.663 20.549 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -37.114 22.334 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -36.045 22.976 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -35.671 23.276 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -36.333 20.457 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -34.891 21.402 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -34.710 19.765 -2.586 1.00 0.00 H new TER 1806 LEU A 113