USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 718 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 LYS NZ :NH3+ -162:sc= 0.45 (180deg=0) USER MOD Set 1.2: A 58 HIS : no HE2:sc= -4.8! C(o=-4.4!,f=-11!) USER MOD Set 2.1: A 50 LYS NZ :NH3+ 161:sc= 0.0796 (180deg=0) USER MOD Set 2.2: B 12 TYR OH : rot 30:sc= 0.0861 USER MOD Set 3.1: A 18 SER OG : rot 151:sc= 1.03 USER MOD Set 3.2: A 44 LYS NZ :NH3+ -114:sc= 1.02 (180deg=-0.373) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 165:sc= 0 (180deg=-0.0902) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= -0.392 USER MOD Single : A -7 SER OG : rot -63:sc= 0.0769 USER MOD Single : A -8 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -101:sc= 0.341 USER MOD Single : A 20 LYS NZ :NH3+ -162:sc=-0.000633 (180deg=-0.134) USER MOD Single : A 29 ASN : amide:sc= -0.0648 K(o=-0.065,f=-2.2) USER MOD Single : A 32 CYS SG : rot 129:sc= 0.112 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 35 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.2) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.8!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -143:sc= -0.341 (180deg=-1.96!) USER MOD Single : A 56 LYS NZ :NH3+ -143:sc= -0.179 (180deg=-1.36) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 SER N :NH3+ -141:sc= -2.28 (180deg=-5.46!) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0.0736 USER MOD Single : B 13 LYS NZ :NH3+ -150:sc= -0.203 (180deg=-1.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -8 15.238 -4.058 -35.810 1.00 0.00 N ATOM 2 CA GLY A -8 14.719 -3.223 -37.017 1.00 0.00 C ATOM 3 C GLY A -8 13.997 -3.887 -38.107 1.00 0.00 C ATOM 4 O GLY A -8 14.083 -3.487 -39.253 1.00 0.00 O ATOM 0 H1 GLY A -8 15.723 -3.431 -35.137 1.00 0.00 H new ATOM 0 H2 GLY A -8 14.435 -4.520 -35.337 1.00 0.00 H new ATOM 0 H3 GLY A -8 15.903 -4.782 -36.149 1.00 0.00 H new ATOM 0 HA2 GLY A -8 14.064 -2.448 -36.618 1.00 0.00 H new ATOM 0 HA3 GLY A -8 15.579 -2.718 -37.457 1.00 0.00 H new ATOM 10 N SER A -7 13.259 -4.925 -37.795 1.00 0.00 N ATOM 11 CA SER A -7 12.496 -5.651 -38.853 1.00 0.00 C ATOM 12 C SER A -7 10.995 -5.389 -38.673 1.00 0.00 C ATOM 13 O SER A -7 10.198 -6.306 -38.566 1.00 0.00 O ATOM 14 CB SER A -7 12.778 -7.153 -38.742 1.00 0.00 C ATOM 15 OG SER A -7 12.272 -7.813 -39.897 1.00 0.00 O ATOM 0 H SER A -7 13.153 -5.299 -36.852 1.00 0.00 H new ATOM 0 HA SER A -7 12.806 -5.297 -39.836 1.00 0.00 H new ATOM 0 HB2 SER A -7 13.850 -7.328 -38.650 1.00 0.00 H new ATOM 0 HB3 SER A -7 12.311 -7.557 -37.844 1.00 0.00 H new ATOM 0 HG SER A -7 11.298 -7.708 -39.934 1.00 0.00 H new ATOM 21 N ARG A -6 10.604 -4.136 -38.638 1.00 0.00 N ATOM 22 CA ARG A -6 9.158 -3.804 -38.466 1.00 0.00 C ATOM 23 C ARG A -6 8.953 -2.298 -38.638 1.00 0.00 C ATOM 24 O ARG A -6 9.412 -1.504 -37.838 1.00 0.00 O ATOM 25 CB ARG A -6 8.702 -4.222 -37.066 1.00 0.00 C ATOM 26 CG ARG A -6 7.237 -4.663 -37.117 1.00 0.00 C ATOM 27 CD ARG A -6 7.145 -6.058 -37.735 1.00 0.00 C ATOM 28 NE ARG A -6 5.913 -6.737 -37.247 1.00 0.00 N ATOM 29 CZ ARG A -6 4.883 -6.870 -38.038 1.00 0.00 C ATOM 30 NH1 ARG A -6 5.036 -7.388 -39.226 1.00 0.00 N ATOM 31 NH2 ARG A -6 3.700 -6.486 -37.641 1.00 0.00 N ATOM 0 H ARG A -6 11.226 -3.332 -38.721 1.00 0.00 H new ATOM 0 HA ARG A -6 8.573 -4.338 -39.215 1.00 0.00 H new ATOM 0 HB2 ARG A -6 9.325 -5.036 -36.697 1.00 0.00 H new ATOM 0 HB3 ARG A -6 8.819 -3.391 -36.371 1.00 0.00 H new ATOM 0 HG2 ARG A -6 6.813 -4.670 -36.113 1.00 0.00 H new ATOM 0 HG3 ARG A -6 6.653 -3.954 -37.704 1.00 0.00 H new ATOM 0 HD2 ARG A -6 7.126 -5.985 -38.822 1.00 0.00 H new ATOM 0 HD3 ARG A -6 8.025 -6.644 -37.470 1.00 0.00 H new ATOM 0 HE ARG A -6 5.874 -7.098 -36.294 1.00 0.00 H new ATOM 0 HH11 ARG A -6 5.960 -7.689 -39.536 1.00 0.00 H new ATOM 0 HH12 ARG A -6 4.232 -7.492 -39.844 1.00 0.00 H new ATOM 0 HH21 ARG A -6 3.580 -6.082 -36.712 1.00 0.00 H new ATOM 0 HH22 ARG A -6 2.896 -6.590 -38.260 1.00 0.00 H new ATOM 45 N ARG A -5 8.261 -1.901 -39.678 1.00 0.00 N ATOM 46 CA ARG A -5 8.013 -0.447 -39.911 1.00 0.00 C ATOM 47 C ARG A -5 6.504 -0.197 -39.961 1.00 0.00 C ATOM 48 O ARG A -5 5.796 -0.782 -40.762 1.00 0.00 O ATOM 49 CB ARG A -5 8.657 -0.025 -41.244 1.00 0.00 C ATOM 50 CG ARG A -5 9.871 0.871 -40.974 1.00 0.00 C ATOM 51 CD ARG A -5 9.400 2.207 -40.397 1.00 0.00 C ATOM 52 NE ARG A -5 10.363 3.279 -40.776 1.00 0.00 N ATOM 53 CZ ARG A -5 10.285 3.841 -41.951 1.00 0.00 C ATOM 54 NH1 ARG A -5 9.418 4.793 -42.163 1.00 0.00 N ATOM 55 NH2 ARG A -5 11.074 3.450 -42.915 1.00 0.00 N ATOM 0 H ARG A -5 7.857 -2.525 -40.377 1.00 0.00 H new ATOM 0 HA ARG A -5 8.451 0.137 -39.102 1.00 0.00 H new ATOM 0 HB2 ARG A -5 8.963 -0.907 -41.806 1.00 0.00 H new ATOM 0 HB3 ARG A -5 7.930 0.507 -41.857 1.00 0.00 H new ATOM 0 HG2 ARG A -5 10.550 0.381 -40.277 1.00 0.00 H new ATOM 0 HG3 ARG A -5 10.427 1.037 -41.897 1.00 0.00 H new ATOM 0 HD2 ARG A -5 8.405 2.447 -40.773 1.00 0.00 H new ATOM 0 HD3 ARG A -5 9.323 2.140 -39.312 1.00 0.00 H new ATOM 0 HE ARG A -5 11.083 3.574 -40.117 1.00 0.00 H new ATOM 0 HH11 ARG A -5 8.801 5.098 -41.410 1.00 0.00 H new ATOM 0 HH12 ARG A -5 9.357 5.232 -43.082 1.00 0.00 H new ATOM 0 HH21 ARG A -5 11.751 2.705 -42.749 1.00 0.00 H new ATOM 0 HH22 ARG A -5 11.013 3.889 -43.834 1.00 0.00 H new ATOM 69 N ALA A -4 6.005 0.667 -39.106 1.00 0.00 N ATOM 70 CA ALA A -4 4.536 0.960 -39.092 1.00 0.00 C ATOM 71 C ALA A -4 3.761 -0.327 -38.794 1.00 0.00 C ATOM 72 O ALA A -4 4.344 -1.371 -38.562 1.00 0.00 O ATOM 73 CB ALA A -4 4.107 1.514 -40.455 1.00 0.00 C ATOM 0 H ALA A -4 6.553 1.182 -38.417 1.00 0.00 H new ATOM 0 HA ALA A -4 4.323 1.699 -38.320 1.00 0.00 H new ATOM 0 HB1 ALA A -4 3.038 1.726 -40.441 1.00 0.00 H new ATOM 0 HB2 ALA A -4 4.656 2.432 -40.664 1.00 0.00 H new ATOM 0 HB3 ALA A -4 4.321 0.779 -41.230 1.00 0.00 H new ATOM 79 N SER A -3 2.452 -0.261 -38.801 1.00 0.00 N ATOM 80 CA SER A -3 1.634 -1.478 -38.519 1.00 0.00 C ATOM 81 C SER A -3 0.183 -1.223 -38.928 1.00 0.00 C ATOM 82 O SER A -3 -0.203 -0.103 -39.213 1.00 0.00 O ATOM 83 CB SER A -3 1.695 -1.797 -37.025 1.00 0.00 C ATOM 84 OG SER A -3 0.722 -2.788 -36.716 1.00 0.00 O ATOM 0 H SER A -3 1.915 0.585 -38.990 1.00 0.00 H new ATOM 0 HA SER A -3 2.028 -2.321 -39.087 1.00 0.00 H new ATOM 0 HB2 SER A -3 2.690 -2.152 -36.758 1.00 0.00 H new ATOM 0 HB3 SER A -3 1.511 -0.895 -36.441 1.00 0.00 H new ATOM 0 HG SER A -3 0.760 -2.996 -35.759 1.00 0.00 H new ATOM 90 N VAL A -2 -0.624 -2.255 -38.960 1.00 0.00 N ATOM 91 CA VAL A -2 -2.056 -2.082 -39.352 1.00 0.00 C ATOM 92 C VAL A -2 -2.754 -1.176 -38.334 1.00 0.00 C ATOM 93 O VAL A -2 -3.457 -0.250 -38.693 1.00 0.00 O ATOM 94 CB VAL A -2 -2.752 -3.447 -39.382 1.00 0.00 C ATOM 95 CG1 VAL A -2 -4.148 -3.293 -39.986 1.00 0.00 C ATOM 96 CG2 VAL A -2 -1.934 -4.421 -40.236 1.00 0.00 C ATOM 0 H VAL A -2 -0.352 -3.211 -38.731 1.00 0.00 H new ATOM 0 HA VAL A -2 -2.108 -1.629 -40.342 1.00 0.00 H new ATOM 0 HB VAL A -2 -2.834 -3.834 -38.366 1.00 0.00 H new ATOM 0 HG11 VAL A -2 -4.644 -4.263 -40.008 1.00 0.00 H new ATOM 0 HG12 VAL A -2 -4.732 -2.600 -39.380 1.00 0.00 H new ATOM 0 HG13 VAL A -2 -4.064 -2.905 -41.001 1.00 0.00 H new ATOM 0 HG21 VAL A -2 -2.430 -5.392 -40.257 1.00 0.00 H new ATOM 0 HG22 VAL A -2 -1.852 -4.034 -41.252 1.00 0.00 H new ATOM 0 HG23 VAL A -2 -0.938 -4.532 -39.808 1.00 0.00 H new ATOM 106 N GLY A -1 -2.560 -1.440 -37.063 1.00 0.00 N ATOM 107 CA GLY A -1 -3.205 -0.601 -36.011 1.00 0.00 C ATOM 108 C GLY A -1 -2.815 -1.129 -34.630 1.00 0.00 C ATOM 109 O GLY A -1 -1.649 -1.333 -34.342 1.00 0.00 O ATOM 0 H GLY A -1 -1.981 -2.203 -36.712 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -2.893 0.438 -36.117 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -4.289 -0.622 -36.128 1.00 0.00 H new ATOM 113 N SER A 0 -3.783 -1.354 -33.777 1.00 0.00 N ATOM 114 CA SER A 0 -3.479 -1.874 -32.408 1.00 0.00 C ATOM 115 C SER A 0 -4.395 -3.054 -32.095 1.00 0.00 C ATOM 116 O SER A 0 -5.316 -3.353 -32.834 1.00 0.00 O ATOM 117 CB SER A 0 -3.707 -0.768 -31.367 1.00 0.00 C ATOM 118 OG SER A 0 -4.635 0.181 -31.882 1.00 0.00 O ATOM 0 H SER A 0 -4.773 -1.200 -33.970 1.00 0.00 H new ATOM 0 HA SER A 0 -2.438 -2.196 -32.373 1.00 0.00 H new ATOM 0 HB2 SER A 0 -4.086 -1.198 -30.440 1.00 0.00 H new ATOM 0 HB3 SER A 0 -2.763 -0.278 -31.128 1.00 0.00 H new ATOM 0 HG SER A 0 -4.783 0.887 -31.219 1.00 0.00 H new ATOM 124 N MET A 1 -4.157 -3.713 -30.993 1.00 0.00 N ATOM 125 CA MET A 1 -5.012 -4.865 -30.598 1.00 0.00 C ATOM 126 C MET A 1 -5.727 -4.531 -29.313 1.00 0.00 C ATOM 127 O MET A 1 -5.662 -3.410 -28.835 1.00 0.00 O ATOM 128 CB MET A 1 -4.148 -6.109 -30.392 1.00 0.00 C ATOM 129 CG MET A 1 -4.047 -6.864 -31.705 1.00 0.00 C ATOM 130 SD MET A 1 -2.564 -7.903 -31.698 1.00 0.00 S ATOM 131 CE MET A 1 -3.090 -9.057 -32.988 1.00 0.00 C ATOM 0 H MET A 1 -3.399 -3.499 -30.345 1.00 0.00 H new ATOM 0 HA MET A 1 -5.739 -5.064 -31.386 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.155 -5.824 -30.044 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.584 -6.747 -29.623 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.934 -7.480 -31.850 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.007 -6.162 -32.538 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.230 -9.627 -33.339 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.837 -9.740 -32.583 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.521 -8.501 -33.820 1.00 0.00 H new ATOM 141 N GLU A 2 -6.407 -5.486 -28.735 1.00 0.00 N ATOM 142 CA GLU A 2 -7.110 -5.230 -27.492 1.00 0.00 C ATOM 143 C GLU A 2 -6.614 -6.233 -26.486 1.00 0.00 C ATOM 144 O GLU A 2 -5.859 -7.130 -26.813 1.00 0.00 O ATOM 145 CB GLU A 2 -8.612 -5.426 -27.717 1.00 0.00 C ATOM 146 CG GLU A 2 -9.381 -4.187 -27.253 1.00 0.00 C ATOM 147 CD GLU A 2 -10.742 -4.135 -27.951 1.00 0.00 C ATOM 148 OE1 GLU A 2 -11.383 -5.170 -28.033 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.119 -3.062 -28.391 1.00 0.00 O ATOM 0 H GLU A 2 -6.493 -6.437 -29.093 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.935 -4.213 -27.141 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.808 -5.610 -28.773 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.958 -6.304 -27.171 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.517 -4.215 -26.172 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.810 -3.286 -27.480 1.00 0.00 H new ATOM 156 N ALA A 3 -7.036 -6.099 -25.286 1.00 0.00 N ATOM 157 CA ALA A 3 -6.618 -7.052 -24.240 1.00 0.00 C ATOM 158 C ALA A 3 -7.681 -7.118 -23.158 1.00 0.00 C ATOM 159 O ALA A 3 -7.945 -6.168 -22.457 1.00 0.00 O ATOM 160 CB ALA A 3 -5.305 -6.627 -23.675 1.00 0.00 C ATOM 0 H ALA A 3 -7.664 -5.360 -24.971 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.503 -8.047 -24.669 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.996 -7.331 -22.902 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.557 -6.607 -24.468 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.401 -5.631 -23.241 1.00 0.00 H new ATOM 166 N ILE A 4 -8.312 -8.239 -23.063 1.00 0.00 N ATOM 167 CA ILE A 4 -9.414 -8.436 -22.089 1.00 0.00 C ATOM 168 C ILE A 4 -8.962 -8.259 -20.657 1.00 0.00 C ATOM 169 O ILE A 4 -8.174 -9.021 -20.137 1.00 0.00 O ATOM 170 CB ILE A 4 -9.982 -9.839 -22.280 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.009 -10.163 -21.173 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.862 -10.870 -22.259 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.252 -10.709 -21.805 1.00 0.00 C ATOM 0 H ILE A 4 -8.107 -9.057 -23.637 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.173 -7.676 -22.277 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.483 -9.876 -23.247 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.593 -10.888 -20.474 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.241 -9.265 -20.600 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.282 -11.866 -22.396 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.158 -10.659 -23.064 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.343 -10.824 -21.302 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.983 -10.941 -21.030 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.669 -9.968 -22.487 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.010 -11.616 -22.359 1.00 0.00 H new ATOM 185 N ALA A 5 -9.537 -7.299 -20.003 1.00 0.00 N ATOM 186 CA ALA A 5 -9.231 -7.094 -18.550 1.00 0.00 C ATOM 187 C ALA A 5 -9.901 -8.243 -17.783 1.00 0.00 C ATOM 188 O ALA A 5 -11.107 -8.272 -17.630 1.00 0.00 O ATOM 189 CB ALA A 5 -9.812 -5.770 -18.062 1.00 0.00 C ATOM 0 H ALA A 5 -10.207 -6.642 -20.403 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.153 -7.076 -18.392 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.580 -5.638 -17.005 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.378 -4.950 -18.634 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.893 -5.775 -18.198 1.00 0.00 H new ATOM 195 N LYS A 6 -9.135 -9.200 -17.334 1.00 0.00 N ATOM 196 CA LYS A 6 -9.722 -10.369 -16.612 1.00 0.00 C ATOM 197 C LYS A 6 -10.372 -9.928 -15.299 1.00 0.00 C ATOM 198 O LYS A 6 -11.266 -10.584 -14.795 1.00 0.00 O ATOM 199 CB LYS A 6 -8.618 -11.371 -16.288 1.00 0.00 C ATOM 200 CG LYS A 6 -7.915 -11.790 -17.572 1.00 0.00 C ATOM 201 CD LYS A 6 -6.506 -12.282 -17.242 1.00 0.00 C ATOM 202 CE LYS A 6 -6.588 -13.562 -16.405 1.00 0.00 C ATOM 203 NZ LYS A 6 -6.438 -14.748 -17.294 1.00 0.00 N ATOM 0 H LYS A 6 -8.120 -9.224 -17.436 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.478 -10.821 -17.254 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.901 -10.927 -15.597 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.040 -12.244 -15.791 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.480 -12.579 -18.069 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.866 -10.949 -18.264 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.952 -12.472 -18.161 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.961 -11.513 -16.695 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.807 -13.563 -15.645 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.543 -13.606 -15.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.494 -15.617 -16.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.199 -14.749 -18.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.517 -14.707 -17.775 1.00 0.00 H new ATOM 217 N TYR A 7 -9.918 -8.840 -14.727 1.00 0.00 N ATOM 218 CA TYR A 7 -10.500 -8.380 -13.419 1.00 0.00 C ATOM 219 C TYR A 7 -10.500 -6.871 -13.350 1.00 0.00 C ATOM 220 O TYR A 7 -10.208 -6.186 -14.313 1.00 0.00 O ATOM 221 CB TYR A 7 -9.665 -8.929 -12.244 1.00 0.00 C ATOM 222 CG TYR A 7 -9.319 -10.382 -12.472 1.00 0.00 C ATOM 223 CD1 TYR A 7 -10.305 -11.369 -12.356 1.00 0.00 C ATOM 224 CD2 TYR A 7 -8.010 -10.736 -12.802 1.00 0.00 C ATOM 225 CE1 TYR A 7 -9.976 -12.713 -12.572 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.679 -12.076 -13.019 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.661 -13.066 -12.903 1.00 0.00 C ATOM 228 OH TYR A 7 -8.335 -14.392 -13.116 1.00 0.00 O ATOM 0 H TYR A 7 -9.175 -8.251 -15.103 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.522 -8.751 -13.350 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.751 -8.345 -12.135 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.223 -8.824 -11.314 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.318 -11.094 -12.100 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.251 -9.973 -12.890 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.735 -13.476 -12.484 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.666 -12.347 -13.276 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.383 -14.463 -13.337 1.00 0.00 H new ATOM 238 N ASP A 8 -10.844 -6.353 -12.210 1.00 0.00 N ATOM 239 CA ASP A 8 -10.896 -4.891 -12.031 1.00 0.00 C ATOM 240 C ASP A 8 -9.537 -4.376 -11.521 1.00 0.00 C ATOM 241 O ASP A 8 -8.689 -5.136 -11.106 1.00 0.00 O ATOM 242 CB ASP A 8 -12.028 -4.577 -11.044 1.00 0.00 C ATOM 243 CG ASP A 8 -11.648 -5.006 -9.615 1.00 0.00 C ATOM 244 OD1 ASP A 8 -10.845 -5.915 -9.484 1.00 0.00 O ATOM 245 OD2 ASP A 8 -12.168 -4.416 -8.683 1.00 0.00 O ATOM 0 H ASP A 8 -11.095 -6.895 -11.383 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.096 -4.388 -12.977 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.245 -3.509 -11.061 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.938 -5.092 -11.352 1.00 0.00 H new ATOM 250 N PHE A 9 -9.340 -3.086 -11.558 1.00 0.00 N ATOM 251 CA PHE A 9 -8.054 -2.484 -11.093 1.00 0.00 C ATOM 252 C PHE A 9 -8.081 -0.979 -11.384 1.00 0.00 C ATOM 253 O PHE A 9 -9.015 -0.469 -11.977 1.00 0.00 O ATOM 254 CB PHE A 9 -6.866 -3.131 -11.843 1.00 0.00 C ATOM 255 CG PHE A 9 -5.795 -3.547 -10.854 1.00 0.00 C ATOM 256 CD1 PHE A 9 -6.140 -4.300 -9.727 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.462 -3.184 -11.071 1.00 0.00 C ATOM 258 CE1 PHE A 9 -5.153 -4.690 -8.814 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.473 -3.574 -10.160 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.818 -4.326 -9.031 1.00 0.00 C ATOM 0 H PHE A 9 -10.026 -2.412 -11.896 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.934 -2.658 -10.024 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.210 -3.999 -12.406 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.453 -2.426 -12.564 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.169 -4.581 -9.561 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.195 -2.603 -11.941 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.421 -5.271 -7.944 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.443 -3.294 -10.328 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.055 -4.625 -8.328 1.00 0.00 H new ATOM 270 N LYS A 10 -7.065 -0.270 -10.971 1.00 0.00 N ATOM 271 CA LYS A 10 -7.021 1.207 -11.219 1.00 0.00 C ATOM 272 C LYS A 10 -5.608 1.633 -11.516 1.00 0.00 C ATOM 273 O LYS A 10 -4.654 0.950 -11.182 1.00 0.00 O ATOM 274 CB LYS A 10 -7.542 1.951 -9.974 1.00 0.00 C ATOM 275 CG LYS A 10 -8.885 2.621 -10.287 1.00 0.00 C ATOM 276 CD LYS A 10 -9.085 3.823 -9.359 1.00 0.00 C ATOM 277 CE LYS A 10 -9.195 3.339 -7.912 1.00 0.00 C ATOM 278 NZ LYS A 10 -9.722 4.441 -7.057 1.00 0.00 N ATOM 0 H LYS A 10 -6.260 -0.648 -10.471 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.651 1.450 -12.075 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.659 1.253 -9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.817 2.701 -9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.909 2.944 -11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.699 1.908 -10.156 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.250 4.516 -9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.986 4.367 -9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.855 2.474 -7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.218 3.019 -7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.797 4.112 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.076 5.255 -7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.662 4.726 -7.399 1.00 0.00 H new ATOM 292 N ALA A 11 -5.462 2.769 -12.148 1.00 0.00 N ATOM 293 CA ALA A 11 -4.114 3.257 -12.477 1.00 0.00 C ATOM 294 C ALA A 11 -3.392 3.594 -11.174 1.00 0.00 C ATOM 295 O ALA A 11 -3.886 4.360 -10.365 1.00 0.00 O ATOM 296 CB ALA A 11 -4.200 4.502 -13.347 1.00 0.00 C ATOM 0 H ALA A 11 -6.228 3.373 -12.446 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.570 2.488 -13.026 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.195 4.852 -13.582 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.727 4.264 -14.271 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.740 5.283 -12.812 1.00 0.00 H new ATOM 302 N THR A 12 -2.242 3.028 -10.960 1.00 0.00 N ATOM 303 CA THR A 12 -1.489 3.310 -9.697 1.00 0.00 C ATOM 304 C THR A 12 -0.373 4.300 -9.992 1.00 0.00 C ATOM 305 O THR A 12 0.697 4.243 -9.413 1.00 0.00 O ATOM 306 CB THR A 12 -0.902 2.009 -9.146 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.041 1.430 -10.117 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.037 1.034 -8.818 1.00 0.00 C ATOM 0 H THR A 12 -1.785 2.380 -11.602 1.00 0.00 H new ATOM 0 HA THR A 12 -2.163 3.735 -8.954 1.00 0.00 H new ATOM 0 HB THR A 12 -0.335 2.221 -8.239 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.509 0.701 -10.576 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.618 0.107 -8.426 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.695 1.479 -8.072 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.606 0.821 -9.723 1.00 0.00 H new ATOM 316 N ALA A 13 -0.620 5.207 -10.895 1.00 0.00 N ATOM 317 CA ALA A 13 0.406 6.222 -11.264 1.00 0.00 C ATOM 318 C ALA A 13 -0.130 7.078 -12.372 1.00 0.00 C ATOM 319 O ALA A 13 -1.093 6.738 -13.036 1.00 0.00 O ATOM 320 CB ALA A 13 1.687 5.536 -11.745 1.00 0.00 C ATOM 0 H ALA A 13 -1.502 5.289 -11.400 1.00 0.00 H new ATOM 0 HA ALA A 13 0.634 6.829 -10.388 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.427 6.291 -12.011 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.083 4.905 -10.949 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.465 4.922 -12.618 1.00 0.00 H new ATOM 326 N ASP A 14 0.497 8.182 -12.581 1.00 0.00 N ATOM 327 CA ASP A 14 0.074 9.100 -13.650 1.00 0.00 C ATOM 328 C ASP A 14 0.282 8.422 -15.006 1.00 0.00 C ATOM 329 O ASP A 14 -0.397 8.720 -15.973 1.00 0.00 O ATOM 330 CB ASP A 14 0.933 10.332 -13.544 1.00 0.00 C ATOM 331 CG ASP A 14 0.216 11.525 -14.177 1.00 0.00 C ATOM 332 OD1 ASP A 14 -0.766 11.972 -13.607 1.00 0.00 O ATOM 333 OD2 ASP A 14 0.660 11.971 -15.222 1.00 0.00 O ATOM 0 H ASP A 14 1.305 8.496 -12.043 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.979 9.364 -13.556 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.153 10.543 -12.498 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.887 10.164 -14.043 1.00 0.00 H new ATOM 338 N ASP A 15 1.231 7.513 -15.081 1.00 0.00 N ATOM 339 CA ASP A 15 1.511 6.820 -16.332 1.00 0.00 C ATOM 340 C ASP A 15 0.912 5.400 -16.317 1.00 0.00 C ATOM 341 O ASP A 15 1.398 4.511 -16.995 1.00 0.00 O ATOM 342 CB ASP A 15 3.032 6.753 -16.514 1.00 0.00 C ATOM 343 CG ASP A 15 3.664 5.900 -15.402 1.00 0.00 C ATOM 344 OD1 ASP A 15 3.408 4.707 -15.380 1.00 0.00 O ATOM 345 OD2 ASP A 15 4.392 6.456 -14.596 1.00 0.00 O ATOM 0 H ASP A 15 1.822 7.234 -14.298 1.00 0.00 H new ATOM 0 HA ASP A 15 1.056 7.362 -17.161 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.270 6.327 -17.489 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.452 7.758 -16.494 1.00 0.00 H new ATOM 350 N GLU A 16 -0.136 5.179 -15.553 1.00 0.00 N ATOM 351 CA GLU A 16 -0.752 3.828 -15.502 1.00 0.00 C ATOM 352 C GLU A 16 -2.186 3.910 -16.033 1.00 0.00 C ATOM 353 O GLU A 16 -2.700 4.987 -16.275 1.00 0.00 O ATOM 354 CB GLU A 16 -0.744 3.320 -14.062 1.00 0.00 C ATOM 355 CG GLU A 16 -0.911 1.806 -14.062 1.00 0.00 C ATOM 356 CD GLU A 16 -0.114 1.200 -12.906 1.00 0.00 C ATOM 357 OE1 GLU A 16 1.007 1.634 -12.694 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.638 0.313 -12.253 1.00 0.00 O ATOM 0 H GLU A 16 -0.585 5.882 -14.966 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.183 3.134 -16.121 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.190 3.594 -13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.550 3.786 -13.495 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.965 1.547 -13.965 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.567 1.392 -15.010 1.00 0.00 H new ATOM 365 N LEU A 17 -2.825 2.782 -16.244 1.00 0.00 N ATOM 366 CA LEU A 17 -4.218 2.803 -16.797 1.00 0.00 C ATOM 367 C LEU A 17 -5.189 2.031 -15.895 1.00 0.00 C ATOM 368 O LEU A 17 -4.919 0.927 -15.462 1.00 0.00 O ATOM 369 CB LEU A 17 -4.195 2.169 -18.199 1.00 0.00 C ATOM 370 CG LEU A 17 -5.595 2.195 -18.829 1.00 0.00 C ATOM 371 CD1 LEU A 17 -5.941 3.623 -19.249 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.613 1.279 -20.062 1.00 0.00 C ATOM 0 H LEU A 17 -2.445 1.854 -16.059 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.564 3.835 -16.848 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.494 2.708 -18.836 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.839 1.141 -18.133 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.328 1.845 -18.103 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.935 3.640 -19.696 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.925 4.273 -18.374 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.210 3.976 -19.977 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.605 1.295 -20.512 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.880 1.631 -20.788 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.367 0.260 -19.762 1.00 0.00 H new ATOM 384 N SER A 18 -6.332 2.622 -15.626 1.00 0.00 N ATOM 385 CA SER A 18 -7.344 1.991 -14.791 1.00 0.00 C ATOM 386 C SER A 18 -8.301 1.162 -15.666 1.00 0.00 C ATOM 387 O SER A 18 -8.294 1.272 -16.878 1.00 0.00 O ATOM 388 CB SER A 18 -8.107 3.108 -14.108 1.00 0.00 C ATOM 389 OG SER A 18 -9.118 3.622 -14.973 1.00 0.00 O ATOM 0 H SER A 18 -6.590 3.545 -15.974 1.00 0.00 H new ATOM 0 HA SER A 18 -6.889 1.323 -14.060 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.560 2.738 -13.188 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.420 3.906 -13.826 1.00 0.00 H new ATOM 0 HG SER A 18 -9.863 3.967 -14.437 1.00 0.00 H new ATOM 395 N PHE A 19 -9.135 0.355 -15.054 1.00 0.00 N ATOM 396 CA PHE A 19 -10.114 -0.467 -15.837 1.00 0.00 C ATOM 397 C PHE A 19 -10.915 -1.342 -14.873 1.00 0.00 C ATOM 398 O PHE A 19 -10.580 -1.459 -13.717 1.00 0.00 O ATOM 399 CB PHE A 19 -9.376 -1.368 -16.844 1.00 0.00 C ATOM 400 CG PHE A 19 -8.382 -2.248 -16.121 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.823 -3.401 -15.464 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.023 -1.912 -16.111 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.906 -4.219 -14.794 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.106 -2.729 -15.442 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.546 -3.884 -14.784 1.00 0.00 C ATOM 0 H PHE A 19 -9.180 0.229 -14.043 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.780 0.200 -16.383 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.093 -1.985 -17.386 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.861 -0.755 -17.583 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.871 -3.660 -15.474 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.683 -1.022 -16.620 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.247 -5.108 -14.285 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.058 -2.469 -15.433 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.837 -4.516 -14.269 1.00 0.00 H new ATOM 415 N LYS A 20 -11.966 -1.955 -15.347 1.00 0.00 N ATOM 416 CA LYS A 20 -12.791 -2.830 -14.472 1.00 0.00 C ATOM 417 C LYS A 20 -12.782 -4.246 -15.018 1.00 0.00 C ATOM 418 O LYS A 20 -12.193 -4.525 -16.048 1.00 0.00 O ATOM 419 CB LYS A 20 -14.222 -2.322 -14.454 1.00 0.00 C ATOM 420 CG LYS A 20 -14.231 -0.875 -13.999 1.00 0.00 C ATOM 421 CD LYS A 20 -13.990 -0.808 -12.488 1.00 0.00 C ATOM 422 CE LYS A 20 -15.291 -1.128 -11.749 1.00 0.00 C ATOM 423 NZ LYS A 20 -16.190 0.061 -11.790 1.00 0.00 N ATOM 0 H LYS A 20 -12.289 -1.885 -16.312 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.380 -2.819 -13.463 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.663 -2.406 -15.447 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.828 -2.931 -13.783 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.459 -0.313 -14.525 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.186 -0.412 -14.246 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.213 -1.516 -12.201 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.636 0.184 -12.209 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.782 -1.985 -12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.077 -1.401 -10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.920 -0.030 -11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.633 0.923 -11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.645 0.120 -12.723 1.00 0.00 H new ATOM 437 N ARG A 21 -13.438 -5.138 -14.337 1.00 0.00 N ATOM 438 CA ARG A 21 -13.495 -6.544 -14.792 1.00 0.00 C ATOM 439 C ARG A 21 -14.410 -6.645 -16.011 1.00 0.00 C ATOM 440 O ARG A 21 -15.617 -6.511 -15.904 1.00 0.00 O ATOM 441 CB ARG A 21 -14.054 -7.381 -13.666 1.00 0.00 C ATOM 442 CG ARG A 21 -13.993 -8.853 -14.031 1.00 0.00 C ATOM 443 CD ARG A 21 -14.138 -9.664 -12.757 1.00 0.00 C ATOM 444 NE ARG A 21 -14.794 -10.967 -13.065 1.00 0.00 N ATOM 445 CZ ARG A 21 -16.077 -11.115 -12.870 1.00 0.00 C ATOM 446 NH1 ARG A 21 -16.917 -10.248 -13.367 1.00 0.00 N ATOM 447 NH2 ARG A 21 -16.520 -12.130 -12.179 1.00 0.00 N ATOM 0 H ARG A 21 -13.944 -4.946 -13.472 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.500 -6.897 -15.065 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.487 -7.201 -12.753 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.085 -7.091 -13.464 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.788 -9.104 -14.734 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.048 -9.084 -14.523 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.159 -9.835 -12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.730 -9.111 -12.027 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.241 -11.743 -13.428 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.571 -9.455 -13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.919 -10.364 -13.215 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.864 -12.808 -11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.522 -12.245 -12.027 1.00 0.00 H new ATOM 461 N GLY A 22 -13.847 -6.873 -17.169 1.00 0.00 N ATOM 462 CA GLY A 22 -14.678 -6.976 -18.405 1.00 0.00 C ATOM 463 C GLY A 22 -14.467 -5.736 -19.289 1.00 0.00 C ATOM 464 O GLY A 22 -15.105 -5.587 -20.316 1.00 0.00 O ATOM 0 H GLY A 22 -12.844 -6.993 -17.312 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.411 -7.876 -18.958 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.731 -7.067 -18.138 1.00 0.00 H new ATOM 468 N ASP A 23 -13.567 -4.847 -18.908 1.00 0.00 N ATOM 469 CA ASP A 23 -13.308 -3.663 -19.697 1.00 0.00 C ATOM 470 C ASP A 23 -12.060 -3.920 -20.516 1.00 0.00 C ATOM 471 O ASP A 23 -10.965 -3.760 -20.030 1.00 0.00 O ATOM 472 CB ASP A 23 -13.072 -2.485 -18.757 1.00 0.00 C ATOM 473 CG ASP A 23 -14.209 -1.466 -18.895 1.00 0.00 C ATOM 474 OD1 ASP A 23 -15.342 -1.889 -19.057 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.926 -0.281 -18.836 1.00 0.00 O ATOM 0 H ASP A 23 -13.006 -4.925 -18.059 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.150 -3.435 -20.351 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.012 -2.838 -17.727 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.118 -2.011 -18.988 1.00 0.00 H new ATOM 480 N ILE A 24 -12.214 -4.336 -21.733 1.00 0.00 N ATOM 481 CA ILE A 24 -11.018 -4.631 -22.575 1.00 0.00 C ATOM 482 C ILE A 24 -10.334 -3.324 -22.964 1.00 0.00 C ATOM 483 O ILE A 24 -10.973 -2.348 -23.309 1.00 0.00 O ATOM 484 CB ILE A 24 -11.424 -5.431 -23.816 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.424 -6.548 -23.385 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.153 -6.048 -24.418 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.584 -7.603 -24.479 1.00 0.00 C ATOM 0 H ILE A 24 -13.114 -4.487 -22.188 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.314 -5.237 -22.004 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.907 -4.795 -24.558 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.071 -7.022 -22.469 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.394 -6.104 -23.161 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.414 -6.625 -25.305 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.458 -5.254 -24.692 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.684 -6.703 -23.684 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.287 -8.367 -24.148 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.961 -7.132 -25.387 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.618 -8.064 -24.684 1.00 0.00 H new ATOM 499 N LEU A 25 -9.032 -3.295 -22.861 1.00 0.00 N ATOM 500 CA LEU A 25 -8.263 -2.048 -23.165 1.00 0.00 C ATOM 501 C LEU A 25 -7.766 -2.088 -24.615 1.00 0.00 C ATOM 502 O LEU A 25 -7.842 -3.107 -25.276 1.00 0.00 O ATOM 503 CB LEU A 25 -7.031 -1.897 -22.209 1.00 0.00 C ATOM 504 CG LEU A 25 -7.075 -2.864 -20.984 1.00 0.00 C ATOM 505 CD1 LEU A 25 -5.946 -2.500 -20.022 1.00 0.00 C ATOM 506 CD2 LEU A 25 -8.419 -2.766 -20.231 1.00 0.00 C ATOM 0 H LEU A 25 -8.460 -4.090 -22.576 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.928 -1.197 -23.018 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.117 -2.080 -22.774 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.983 -0.869 -21.850 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.961 -3.883 -21.353 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.969 -3.171 -19.163 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.988 -2.597 -20.532 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.074 -1.472 -19.683 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.413 -3.453 -19.385 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.560 -1.747 -19.870 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.234 -3.028 -20.906 1.00 0.00 H new ATOM 518 N LYS A 26 -7.246 -0.979 -25.111 1.00 0.00 N ATOM 519 CA LYS A 26 -6.737 -0.955 -26.536 1.00 0.00 C ATOM 520 C LYS A 26 -5.205 -0.916 -26.537 1.00 0.00 C ATOM 521 O LYS A 26 -4.606 0.133 -26.424 1.00 0.00 O ATOM 522 CB LYS A 26 -7.279 0.284 -27.254 1.00 0.00 C ATOM 523 CG LYS A 26 -7.258 0.046 -28.764 1.00 0.00 C ATOM 524 CD LYS A 26 -8.500 -0.747 -29.175 1.00 0.00 C ATOM 525 CE LYS A 26 -8.859 -0.419 -30.624 1.00 0.00 C ATOM 526 NZ LYS A 26 -9.871 -1.394 -31.119 1.00 0.00 N ATOM 0 H LYS A 26 -7.152 -0.101 -24.601 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.076 -1.852 -27.053 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.296 0.495 -26.922 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.675 1.156 -27.004 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.231 0.999 -29.292 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.357 -0.499 -29.044 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.314 -1.816 -29.069 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.335 -0.502 -28.518 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.252 0.595 -30.692 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.966 -0.457 -31.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.892 -1.375 -32.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.619 -2.350 -30.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.809 -1.139 -30.749 1.00 0.00 H new ATOM 540 N VAL A 27 -4.567 -2.055 -26.658 1.00 0.00 N ATOM 541 CA VAL A 27 -3.071 -2.085 -26.637 1.00 0.00 C ATOM 542 C VAL A 27 -2.495 -1.221 -27.760 1.00 0.00 C ATOM 543 O VAL A 27 -2.527 -1.578 -28.921 1.00 0.00 O ATOM 544 CB VAL A 27 -2.574 -3.532 -26.773 1.00 0.00 C ATOM 545 CG1 VAL A 27 -1.048 -3.568 -26.613 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.208 -4.391 -25.673 1.00 0.00 C ATOM 0 H VAL A 27 -5.017 -2.964 -26.770 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.730 -1.679 -25.685 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.851 -3.918 -27.754 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.696 -4.595 -26.710 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.587 -2.952 -27.385 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.776 -3.182 -25.631 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.857 -5.419 -25.767 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.925 -3.999 -24.696 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.293 -4.367 -25.773 1.00 0.00 H new ATOM 556 N LEU A 28 -1.936 -0.094 -27.397 1.00 0.00 N ATOM 557 CA LEU A 28 -1.312 0.807 -28.400 1.00 0.00 C ATOM 558 C LEU A 28 0.125 0.338 -28.614 1.00 0.00 C ATOM 559 O LEU A 28 0.695 0.517 -29.675 1.00 0.00 O ATOM 560 CB LEU A 28 -1.266 2.283 -27.902 1.00 0.00 C ATOM 561 CG LEU A 28 -2.460 2.625 -26.970 1.00 0.00 C ATOM 562 CD1 LEU A 28 -1.931 3.020 -25.576 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.257 3.802 -27.562 1.00 0.00 C ATOM 0 H LEU A 28 -1.887 0.240 -26.434 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.902 0.771 -29.316 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.331 2.456 -27.370 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.273 2.955 -28.760 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.108 1.753 -26.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.770 3.260 -24.923 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.367 2.189 -25.152 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.281 3.891 -25.667 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.095 4.041 -26.907 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.607 4.673 -27.652 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.634 3.527 -28.547 1.00 0.00 H new ATOM 575 N ASN A 29 0.723 -0.258 -27.596 1.00 0.00 N ATOM 576 CA ASN A 29 2.131 -0.729 -27.738 1.00 0.00 C ATOM 577 C ASN A 29 2.482 -1.674 -26.586 1.00 0.00 C ATOM 578 O ASN A 29 1.633 -2.056 -25.804 1.00 0.00 O ATOM 579 CB ASN A 29 3.074 0.483 -27.715 1.00 0.00 C ATOM 580 CG ASN A 29 4.168 0.308 -28.773 1.00 0.00 C ATOM 581 OD1 ASN A 29 4.482 -0.800 -29.161 1.00 0.00 O ATOM 582 ND2 ASN A 29 4.763 1.363 -29.260 1.00 0.00 N ATOM 0 H ASN A 29 0.294 -0.432 -26.687 1.00 0.00 H new ATOM 0 HA ASN A 29 2.241 -1.263 -28.682 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.512 1.397 -27.907 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.523 0.587 -26.727 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.491 1.257 -29.966 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.499 2.293 -28.934 1.00 0.00 H new ATOM 589 N GLU A 30 3.734 -2.050 -26.481 1.00 0.00 N ATOM 590 CA GLU A 30 4.159 -2.968 -25.385 1.00 0.00 C ATOM 591 C GLU A 30 5.535 -2.533 -24.870 1.00 0.00 C ATOM 592 O GLU A 30 6.515 -3.248 -24.986 1.00 0.00 O ATOM 593 CB GLU A 30 4.229 -4.405 -25.916 1.00 0.00 C ATOM 594 CG GLU A 30 2.813 -4.911 -26.204 1.00 0.00 C ATOM 595 CD GLU A 30 2.888 -6.180 -27.055 1.00 0.00 C ATOM 596 OE1 GLU A 30 3.058 -6.055 -28.257 1.00 0.00 O ATOM 597 OE2 GLU A 30 2.772 -7.255 -26.491 1.00 0.00 O ATOM 0 H GLU A 30 4.481 -1.758 -27.111 1.00 0.00 H new ATOM 0 HA GLU A 30 3.437 -2.927 -24.569 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.831 -4.440 -26.824 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.716 -5.051 -25.186 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.292 -5.118 -25.269 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.240 -4.144 -26.725 1.00 0.00 H new ATOM 604 N GLU A 31 5.607 -1.359 -24.299 1.00 0.00 N ATOM 605 CA GLU A 31 6.906 -0.851 -23.765 1.00 0.00 C ATOM 606 C GLU A 31 6.989 -1.154 -22.278 1.00 0.00 C ATOM 607 O GLU A 31 6.113 -1.779 -21.711 1.00 0.00 O ATOM 608 CB GLU A 31 6.990 0.661 -23.983 1.00 0.00 C ATOM 609 CG GLU A 31 7.024 0.958 -25.483 1.00 0.00 C ATOM 610 CD GLU A 31 7.580 2.364 -25.715 1.00 0.00 C ATOM 611 OE1 GLU A 31 8.693 2.618 -25.283 1.00 0.00 O ATOM 612 OE2 GLU A 31 6.885 3.163 -26.319 1.00 0.00 O ATOM 0 H GLU A 31 4.816 -0.726 -24.179 1.00 0.00 H new ATOM 0 HA GLU A 31 7.731 -1.338 -24.284 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.133 1.154 -23.523 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.883 1.060 -23.502 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.643 0.222 -25.996 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.021 0.879 -25.903 1.00 0.00 H new ATOM 619 N CYS A 32 8.044 -0.718 -21.639 1.00 0.00 N ATOM 620 CA CYS A 32 8.206 -0.979 -20.170 1.00 0.00 C ATOM 621 C CYS A 32 8.392 -2.471 -19.944 1.00 0.00 C ATOM 622 O CYS A 32 8.641 -3.223 -20.865 1.00 0.00 O ATOM 623 CB CYS A 32 6.954 -0.486 -19.407 1.00 0.00 C ATOM 624 SG CYS A 32 7.449 0.337 -17.868 1.00 0.00 S ATOM 0 H CYS A 32 8.804 -0.191 -22.069 1.00 0.00 H new ATOM 0 HA CYS A 32 9.079 -0.442 -19.800 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.386 0.204 -20.031 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.299 -1.328 -19.184 1.00 0.00 H new ATOM 0 HG CYS A 32 6.869 1.498 -17.791 1.00 0.00 H new ATOM 630 N ASP A 33 8.291 -2.890 -18.711 1.00 0.00 N ATOM 631 CA ASP A 33 8.469 -4.329 -18.343 1.00 0.00 C ATOM 632 C ASP A 33 7.752 -5.245 -19.307 1.00 0.00 C ATOM 633 O ASP A 33 6.908 -4.820 -20.078 1.00 0.00 O ATOM 634 CB ASP A 33 7.896 -4.563 -16.944 1.00 0.00 C ATOM 635 CG ASP A 33 8.666 -5.691 -16.256 1.00 0.00 C ATOM 636 OD1 ASP A 33 9.884 -5.671 -16.316 1.00 0.00 O ATOM 637 OD2 ASP A 33 8.024 -6.555 -15.682 1.00 0.00 O ATOM 0 H ASP A 33 8.087 -2.279 -17.920 1.00 0.00 H new ATOM 0 HA ASP A 33 9.535 -4.552 -18.377 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.966 -3.649 -16.354 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.839 -4.819 -17.011 1.00 0.00 H new ATOM 642 N GLN A 34 8.072 -6.510 -19.257 1.00 0.00 N ATOM 643 CA GLN A 34 7.406 -7.461 -20.154 1.00 0.00 C ATOM 644 C GLN A 34 6.182 -8.068 -19.448 1.00 0.00 C ATOM 645 O GLN A 34 5.685 -9.109 -19.840 1.00 0.00 O ATOM 646 CB GLN A 34 8.380 -8.572 -20.557 1.00 0.00 C ATOM 647 CG GLN A 34 7.935 -9.179 -21.888 1.00 0.00 C ATOM 648 CD GLN A 34 9.124 -9.867 -22.562 1.00 0.00 C ATOM 649 OE1 GLN A 34 9.977 -10.420 -21.897 1.00 0.00 O ATOM 650 NE2 GLN A 34 9.214 -9.858 -23.863 1.00 0.00 N ATOM 0 H GLN A 34 8.767 -6.914 -18.629 1.00 0.00 H new ATOM 0 HA GLN A 34 7.079 -6.936 -21.052 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.389 -8.171 -20.647 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.410 -9.342 -19.786 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.133 -9.898 -21.721 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.536 -8.401 -22.539 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.497 -9.393 -24.421 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.001 -10.316 -24.323 1.00 0.00 H new ATOM 659 N ASN A 35 5.689 -7.419 -18.412 1.00 0.00 N ATOM 660 CA ASN A 35 4.502 -7.946 -17.686 1.00 0.00 C ATOM 661 C ASN A 35 3.340 -7.012 -17.883 1.00 0.00 C ATOM 662 O ASN A 35 2.222 -7.437 -18.014 1.00 0.00 O ATOM 663 CB ASN A 35 4.819 -8.083 -16.196 1.00 0.00 C ATOM 664 CG ASN A 35 5.872 -9.173 -15.997 1.00 0.00 C ATOM 665 OD1 ASN A 35 5.887 -10.157 -16.710 1.00 0.00 O ATOM 666 ND2 ASN A 35 6.761 -9.041 -15.050 1.00 0.00 N ATOM 0 H ASN A 35 6.065 -6.545 -18.044 1.00 0.00 H new ATOM 0 HA ASN A 35 4.244 -8.929 -18.080 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.183 -7.134 -15.802 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.914 -8.332 -15.642 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.467 -9.763 -14.909 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.749 -8.215 -14.451 1.00 0.00 H new ATOM 673 N TRP A 36 3.596 -5.750 -17.932 1.00 0.00 N ATOM 674 CA TRP A 36 2.475 -4.777 -18.158 1.00 0.00 C ATOM 675 C TRP A 36 2.548 -4.267 -19.611 1.00 0.00 C ATOM 676 O TRP A 36 3.606 -3.932 -20.110 1.00 0.00 O ATOM 677 CB TRP A 36 2.549 -3.564 -17.206 1.00 0.00 C ATOM 678 CG TRP A 36 2.672 -3.974 -15.750 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.612 -4.814 -15.244 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.868 -3.532 -14.594 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.431 -4.917 -13.872 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.381 -4.148 -13.427 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.756 -2.669 -14.439 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.827 -3.915 -12.162 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.202 -2.441 -13.161 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.742 -3.058 -12.031 1.00 0.00 C ATOM 0 H TRP A 36 4.522 -5.335 -17.828 1.00 0.00 H new ATOM 0 HA TRP A 36 1.538 -5.299 -17.963 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.403 -2.944 -17.479 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.656 -2.951 -17.333 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.376 -5.319 -15.816 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.010 -5.496 -13.264 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.329 -2.182 -15.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.242 -4.400 -11.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.648 -1.783 -13.056 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.317 -2.869 -11.056 1.00 0.00 H new ATOM 697 N TYR A 37 1.426 -4.205 -20.283 1.00 0.00 N ATOM 698 CA TYR A 37 1.401 -3.717 -21.703 1.00 0.00 C ATOM 699 C TYR A 37 1.135 -2.208 -21.723 1.00 0.00 C ATOM 700 O TYR A 37 1.054 -1.575 -20.710 1.00 0.00 O ATOM 701 CB TYR A 37 0.227 -4.368 -22.450 1.00 0.00 C ATOM 702 CG TYR A 37 0.374 -5.867 -22.569 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.609 -6.450 -22.877 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.761 -6.672 -22.402 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.705 -7.841 -23.021 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.668 -8.056 -22.536 1.00 0.00 C ATOM 707 CZ TYR A 37 0.565 -8.648 -22.848 1.00 0.00 C ATOM 708 OH TYR A 37 0.654 -10.022 -23.000 1.00 0.00 O ATOM 0 H TYR A 37 0.516 -4.473 -19.908 1.00 0.00 H new ATOM 0 HA TYR A 37 2.357 -3.962 -22.166 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.703 -4.138 -21.929 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.150 -3.934 -23.447 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.484 -5.830 -23.003 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.712 -6.218 -22.168 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.655 -8.294 -23.265 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.544 -8.672 -22.400 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.225 -10.426 -22.844 1.00 0.00 H new ATOM 718 N LYS A 38 0.934 -1.659 -22.891 1.00 0.00 N ATOM 719 CA LYS A 38 0.587 -0.223 -23.024 1.00 0.00 C ATOM 720 C LYS A 38 -0.743 -0.196 -23.769 1.00 0.00 C ATOM 721 O LYS A 38 -0.894 -0.876 -24.767 1.00 0.00 O ATOM 722 CB LYS A 38 1.649 0.512 -23.832 1.00 0.00 C ATOM 723 CG LYS A 38 1.336 2.006 -23.815 1.00 0.00 C ATOM 724 CD LYS A 38 1.596 2.612 -25.199 1.00 0.00 C ATOM 725 CE LYS A 38 2.554 3.795 -25.064 1.00 0.00 C ATOM 726 NZ LYS A 38 2.471 4.649 -26.282 1.00 0.00 N ATOM 0 H LYS A 38 0.998 -2.162 -23.776 1.00 0.00 H new ATOM 0 HA LYS A 38 0.526 0.266 -22.052 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.637 0.329 -23.410 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.666 0.142 -24.857 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.296 2.165 -23.529 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.952 2.507 -23.068 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.021 1.860 -25.863 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.658 2.939 -25.647 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.302 4.380 -24.180 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.574 3.436 -24.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.124 5.453 -26.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.732 4.088 -27.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.499 5.003 -26.392 1.00 0.00 H new ATOM 740 N ALA A 39 -1.721 0.527 -23.285 1.00 0.00 N ATOM 741 CA ALA A 39 -3.055 0.515 -23.974 1.00 0.00 C ATOM 742 C ALA A 39 -3.871 1.705 -23.626 1.00 0.00 C ATOM 743 O ALA A 39 -3.404 2.632 -23.002 1.00 0.00 O ATOM 744 CB ALA A 39 -3.786 -0.756 -23.583 1.00 0.00 C ATOM 0 H ALA A 39 -1.660 1.118 -22.456 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.893 0.547 -25.051 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.758 -0.782 -24.075 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.200 -1.622 -23.891 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.925 -0.778 -22.502 1.00 0.00 H new ATOM 750 N GLU A 40 -5.090 1.717 -24.089 1.00 0.00 N ATOM 751 CA GLU A 40 -5.931 2.879 -23.855 1.00 0.00 C ATOM 752 C GLU A 40 -7.411 2.511 -23.813 1.00 0.00 C ATOM 753 O GLU A 40 -7.940 1.832 -24.669 1.00 0.00 O ATOM 754 CB GLU A 40 -5.597 3.904 -24.948 1.00 0.00 C ATOM 755 CG GLU A 40 -6.768 4.148 -25.923 1.00 0.00 C ATOM 756 CD GLU A 40 -6.395 5.251 -26.914 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.108 6.350 -26.468 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.403 4.978 -28.103 1.00 0.00 O ATOM 0 H GLU A 40 -5.524 0.961 -24.619 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.729 3.311 -22.875 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.318 4.848 -24.480 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.729 3.558 -25.510 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.004 3.229 -26.459 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.662 4.432 -25.368 1.00 0.00 H new ATOM 765 N LEU A 41 -8.053 2.999 -22.826 1.00 0.00 N ATOM 766 CA LEU A 41 -9.507 2.746 -22.650 1.00 0.00 C ATOM 767 C LEU A 41 -10.327 3.922 -23.056 1.00 0.00 C ATOM 768 O LEU A 41 -10.564 4.848 -22.308 1.00 0.00 O ATOM 769 CB LEU A 41 -9.811 2.376 -21.217 1.00 0.00 C ATOM 770 CG LEU A 41 -9.708 0.879 -21.093 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.409 0.501 -19.638 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.033 0.271 -21.543 1.00 0.00 C ATOM 0 H LEU A 41 -7.633 3.583 -22.102 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.772 1.912 -23.300 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.110 2.864 -20.540 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.809 2.714 -20.939 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.899 0.498 -21.717 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.335 -0.583 -19.552 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.467 0.955 -19.330 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.212 0.862 -18.996 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.981 -0.815 -21.462 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.838 0.645 -20.910 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.227 0.548 -22.579 1.00 0.00 H new ATOM 784 N ASN A 42 -10.810 3.839 -24.237 1.00 0.00 N ATOM 785 CA ASN A 42 -11.703 4.885 -24.802 1.00 0.00 C ATOM 786 C ASN A 42 -11.243 6.334 -24.497 1.00 0.00 C ATOM 787 O ASN A 42 -12.051 7.249 -24.523 1.00 0.00 O ATOM 788 CB ASN A 42 -13.076 4.691 -24.203 1.00 0.00 C ATOM 789 CG ASN A 42 -13.901 3.747 -25.081 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.762 2.544 -24.993 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.760 4.245 -25.929 1.00 0.00 N ATOM 0 H ASN A 42 -10.623 3.062 -24.871 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.690 4.771 -25.886 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.988 4.281 -23.197 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.582 5.652 -24.113 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.314 3.623 -26.518 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.877 5.256 -26.003 1.00 0.00 H new ATOM 798 N GLY A 43 -9.993 6.554 -24.218 1.00 0.00 N ATOM 799 CA GLY A 43 -9.532 7.952 -23.922 1.00 0.00 C ATOM 800 C GLY A 43 -8.339 7.932 -22.967 1.00 0.00 C ATOM 801 O GLY A 43 -7.417 8.717 -23.108 1.00 0.00 O ATOM 0 H GLY A 43 -9.268 5.838 -24.180 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.255 8.454 -24.849 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.348 8.525 -23.482 1.00 0.00 H new ATOM 805 N LYS A 44 -8.333 7.032 -22.008 1.00 0.00 N ATOM 806 CA LYS A 44 -7.212 6.954 -21.079 1.00 0.00 C ATOM 807 C LYS A 44 -6.214 6.008 -21.651 1.00 0.00 C ATOM 808 O LYS A 44 -6.454 5.377 -22.659 1.00 0.00 O ATOM 809 CB LYS A 44 -7.668 6.446 -19.723 1.00 0.00 C ATOM 810 CG LYS A 44 -8.065 7.634 -18.860 1.00 0.00 C ATOM 811 CD LYS A 44 -8.901 7.156 -17.669 1.00 0.00 C ATOM 812 CE LYS A 44 -8.068 6.205 -16.811 1.00 0.00 C ATOM 813 NZ LYS A 44 -8.625 6.161 -15.429 1.00 0.00 N ATOM 0 H LYS A 44 -9.076 6.352 -21.847 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.780 7.945 -20.940 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.512 5.766 -19.839 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.868 5.882 -19.243 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.173 8.151 -18.506 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.635 8.350 -19.452 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.227 8.009 -17.074 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.801 6.651 -18.022 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.073 5.206 -17.248 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.030 6.537 -16.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.938 6.572 -14.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.510 6.707 -15.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.816 5.174 -15.163 1.00 0.00 H new ATOM 827 N ASP A 45 -5.093 5.910 -21.032 1.00 0.00 N ATOM 828 CA ASP A 45 -4.051 5.013 -21.531 1.00 0.00 C ATOM 829 C ASP A 45 -2.901 4.853 -20.515 1.00 0.00 C ATOM 830 O ASP A 45 -2.903 5.436 -19.448 1.00 0.00 O ATOM 831 CB ASP A 45 -3.557 5.589 -22.882 1.00 0.00 C ATOM 832 CG ASP A 45 -2.248 6.407 -22.748 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.328 7.550 -22.330 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.201 5.869 -23.068 1.00 0.00 O ATOM 0 H ASP A 45 -4.851 6.424 -20.185 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.451 4.010 -21.676 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.397 4.770 -23.583 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.334 6.225 -23.306 1.00 0.00 H new ATOM 839 N GLY A 46 -1.909 4.082 -20.886 1.00 0.00 N ATOM 840 CA GLY A 46 -0.728 3.881 -20.005 1.00 0.00 C ATOM 841 C GLY A 46 -0.456 2.397 -19.772 1.00 0.00 C ATOM 842 O GLY A 46 -0.997 1.541 -20.434 1.00 0.00 O ATOM 0 H GLY A 46 -1.871 3.580 -21.773 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.148 4.347 -20.456 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.896 4.377 -19.049 1.00 0.00 H new ATOM 846 N PHE A 47 0.415 2.099 -18.842 1.00 0.00 N ATOM 847 CA PHE A 47 0.779 0.679 -18.563 1.00 0.00 C ATOM 848 C PHE A 47 -0.401 -0.081 -17.960 1.00 0.00 C ATOM 849 O PHE A 47 -1.223 0.482 -17.267 1.00 0.00 O ATOM 850 CB PHE A 47 1.952 0.650 -17.582 1.00 0.00 C ATOM 851 CG PHE A 47 3.099 1.466 -18.137 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.586 1.209 -19.426 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.673 2.483 -17.364 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.644 1.968 -19.939 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.732 3.240 -17.877 1.00 0.00 C ATOM 856 CZ PHE A 47 5.217 2.984 -19.164 1.00 0.00 C ATOM 0 H PHE A 47 0.893 2.786 -18.259 1.00 0.00 H new ATOM 0 HA PHE A 47 1.055 0.198 -19.502 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.642 1.050 -16.617 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.272 -0.378 -17.413 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.145 0.425 -20.023 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.298 2.683 -16.371 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.019 1.770 -20.932 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.175 4.022 -17.279 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.033 3.570 -19.560 1.00 0.00 H new ATOM 866 N ILE A 48 -0.478 -1.375 -18.208 1.00 0.00 N ATOM 867 CA ILE A 48 -1.580 -2.186 -17.645 1.00 0.00 C ATOM 868 C ILE A 48 -0.979 -3.529 -17.179 1.00 0.00 C ATOM 869 O ILE A 48 -0.290 -4.151 -17.933 1.00 0.00 O ATOM 870 CB ILE A 48 -2.645 -2.432 -18.733 1.00 0.00 C ATOM 871 CG1 ILE A 48 -1.978 -3.007 -20.001 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.339 -1.104 -19.076 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.047 -3.309 -21.059 1.00 0.00 C ATOM 0 H ILE A 48 0.187 -1.894 -18.782 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.053 -1.672 -16.808 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.381 -3.145 -18.361 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.253 -2.295 -20.396 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.430 -3.916 -19.754 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.092 -1.275 -19.845 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.817 -0.702 -18.183 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.600 -0.392 -19.444 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.571 -3.715 -21.952 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.755 -4.037 -20.663 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.575 -2.391 -21.315 1.00 0.00 H new ATOM 885 N PRO A 49 -1.241 -3.950 -15.953 1.00 0.00 N ATOM 886 CA PRO A 49 -0.690 -5.217 -15.458 1.00 0.00 C ATOM 887 C PRO A 49 -1.363 -6.378 -16.163 1.00 0.00 C ATOM 888 O PRO A 49 -2.501 -6.658 -15.947 1.00 0.00 O ATOM 889 CB PRO A 49 -0.985 -5.207 -13.963 1.00 0.00 C ATOM 890 CG PRO A 49 -2.147 -4.192 -13.762 1.00 0.00 C ATOM 891 CD PRO A 49 -2.093 -3.240 -14.984 1.00 0.00 C ATOM 0 HA PRO A 49 0.378 -5.327 -15.646 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.270 -6.200 -13.615 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.104 -4.910 -13.393 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.108 -4.704 -13.707 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.027 -3.639 -12.830 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.088 -3.054 -15.389 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.671 -2.271 -14.717 1.00 0.00 H new ATOM 899 N LYS A 50 -0.645 -7.016 -17.036 1.00 0.00 N ATOM 900 CA LYS A 50 -1.192 -8.158 -17.832 1.00 0.00 C ATOM 901 C LYS A 50 -1.797 -9.275 -16.943 1.00 0.00 C ATOM 902 O LYS A 50 -2.562 -10.083 -17.425 1.00 0.00 O ATOM 903 CB LYS A 50 -0.034 -8.714 -18.634 1.00 0.00 C ATOM 904 CG LYS A 50 -0.466 -9.842 -19.551 1.00 0.00 C ATOM 905 CD LYS A 50 0.778 -10.688 -19.871 1.00 0.00 C ATOM 906 CE LYS A 50 0.460 -12.172 -19.682 1.00 0.00 C ATOM 907 NZ LYS A 50 1.715 -12.912 -19.368 1.00 0.00 N ATOM 0 H LYS A 50 0.328 -6.791 -17.242 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.005 -7.802 -18.465 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.412 -7.916 -19.227 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.737 -9.075 -17.954 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.231 -10.453 -19.071 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.904 -9.444 -20.467 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.100 -10.504 -20.896 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.603 -10.398 -19.220 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.262 -12.300 -18.876 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.004 -12.575 -20.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.479 -13.826 -18.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.250 -13.075 -20.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.293 -12.352 -18.709 1.00 0.00 H new ATOM 921 N ASN A 51 -1.462 -9.346 -15.671 1.00 0.00 N ATOM 922 CA ASN A 51 -2.024 -10.401 -14.818 1.00 0.00 C ATOM 923 C ASN A 51 -3.540 -10.229 -14.690 1.00 0.00 C ATOM 924 O ASN A 51 -4.277 -11.186 -14.539 1.00 0.00 O ATOM 925 CB ASN A 51 -1.355 -10.339 -13.483 1.00 0.00 C ATOM 926 CG ASN A 51 -0.105 -11.240 -13.474 1.00 0.00 C ATOM 927 OD1 ASN A 51 0.078 -12.064 -14.351 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.765 -11.119 -12.511 1.00 0.00 N ATOM 0 H ASN A 51 -0.819 -8.707 -15.203 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.845 -11.380 -15.262 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.073 -9.311 -13.256 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.048 -10.658 -12.705 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.594 -11.713 -12.495 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.617 -10.430 -11.773 1.00 0.00 H new ATOM 935 N TYR A 52 -4.008 -9.019 -14.807 1.00 0.00 N ATOM 936 CA TYR A 52 -5.470 -8.745 -14.760 1.00 0.00 C ATOM 937 C TYR A 52 -5.928 -8.546 -16.181 1.00 0.00 C ATOM 938 O TYR A 52 -6.825 -7.761 -16.453 1.00 0.00 O ATOM 939 CB TYR A 52 -5.724 -7.436 -14.001 1.00 0.00 C ATOM 940 CG TYR A 52 -5.649 -7.607 -12.542 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.568 -8.242 -11.944 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.661 -7.075 -11.775 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.512 -8.342 -10.567 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.620 -7.171 -10.409 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.542 -7.806 -9.786 1.00 0.00 C ATOM 946 OH TYR A 52 -5.494 -7.902 -8.411 1.00 0.00 O ATOM 0 H TYR A 52 -3.426 -8.191 -14.936 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.995 -9.565 -14.269 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.993 -6.691 -14.314 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.708 -7.050 -14.268 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.776 -8.655 -12.551 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.493 -6.579 -12.253 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.674 -8.833 -10.094 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.420 -6.756 -9.814 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.288 -7.477 -8.025 1.00 0.00 H new ATOM 956 N ILE A 53 -5.281 -9.203 -17.114 1.00 0.00 N ATOM 957 CA ILE A 53 -5.636 -9.002 -18.516 1.00 0.00 C ATOM 958 C ILE A 53 -5.203 -10.184 -19.381 1.00 0.00 C ATOM 959 O ILE A 53 -4.481 -11.067 -18.960 1.00 0.00 O ATOM 960 CB ILE A 53 -4.934 -7.753 -19.087 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.607 -6.718 -18.010 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.825 -7.091 -20.116 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.700 -5.663 -18.609 1.00 0.00 C ATOM 0 H ILE A 53 -4.525 -9.866 -16.945 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.720 -8.890 -18.542 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.000 -8.096 -19.531 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.523 -6.260 -17.635 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.120 -7.197 -17.161 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.325 -6.209 -20.517 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.029 -7.792 -20.926 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.764 -6.795 -19.648 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.459 -4.918 -17.851 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.782 -6.131 -18.963 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.206 -5.180 -19.445 1.00 0.00 H new ATOM 975 N GLU A 54 -5.594 -10.135 -20.619 1.00 0.00 N ATOM 976 CA GLU A 54 -5.207 -11.135 -21.597 1.00 0.00 C ATOM 977 C GLU A 54 -5.137 -10.417 -22.941 1.00 0.00 C ATOM 978 O GLU A 54 -5.753 -9.379 -23.122 1.00 0.00 O ATOM 979 CB GLU A 54 -6.213 -12.265 -21.648 1.00 0.00 C ATOM 980 CG GLU A 54 -5.597 -13.543 -21.069 1.00 0.00 C ATOM 981 CD GLU A 54 -6.479 -14.741 -21.425 1.00 0.00 C ATOM 982 OE1 GLU A 54 -6.937 -14.799 -22.554 1.00 0.00 O ATOM 983 OE2 GLU A 54 -6.681 -15.579 -20.563 1.00 0.00 O ATOM 0 H GLU A 54 -6.195 -9.400 -20.992 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.248 -11.583 -21.336 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.105 -11.994 -21.084 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.527 -12.437 -22.678 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.592 -13.687 -21.466 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.503 -13.456 -19.987 1.00 0.00 H new ATOM 990 N MET A 55 -4.384 -10.931 -23.858 1.00 0.00 N ATOM 991 CA MET A 55 -4.227 -10.238 -25.180 1.00 0.00 C ATOM 992 C MET A 55 -5.165 -10.801 -26.238 1.00 0.00 C ATOM 993 O MET A 55 -4.974 -11.900 -26.729 1.00 0.00 O ATOM 994 CB MET A 55 -2.781 -10.400 -25.658 1.00 0.00 C ATOM 995 CG MET A 55 -2.401 -9.225 -26.584 1.00 0.00 C ATOM 996 SD MET A 55 -1.953 -9.843 -28.230 1.00 0.00 S ATOM 997 CE MET A 55 -0.662 -10.993 -27.697 1.00 0.00 C ATOM 0 H MET A 55 -3.864 -11.803 -23.761 1.00 0.00 H new ATOM 0 HA MET A 55 -4.477 -9.187 -25.038 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.107 -10.433 -24.802 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.668 -11.345 -26.189 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.237 -8.530 -26.664 1.00 0.00 H new ATOM 0 HG3 MET A 55 -1.566 -8.671 -26.156 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.150 -10.991 -28.424 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.279 -10.684 -26.724 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.078 -11.997 -27.621 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.175 -10.043 -26.609 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.107 -10.497 -27.631 1.00 0.00 C ATOM 1009 C LYS A 56 -6.805 -9.854 -28.991 1.00 0.00 C ATOM 1010 O LYS A 56 -6.292 -8.737 -29.059 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.501 -10.165 -27.199 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.063 -11.339 -26.409 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.601 -11.346 -26.478 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.171 -10.022 -25.938 1.00 0.00 C ATOM 1015 NZ LYS A 56 -11.888 -9.290 -27.033 1.00 0.00 N ATOM 0 H LYS A 56 -6.374 -9.119 -26.226 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.000 -11.575 -27.749 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.502 -9.263 -26.587 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.127 -9.961 -28.068 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.671 -12.275 -26.807 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.740 -11.274 -25.370 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.924 -11.494 -27.508 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.993 -12.181 -25.898 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.855 -10.220 -25.113 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.365 -9.404 -25.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.725 -8.268 -26.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.529 -9.608 -27.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.908 -9.486 -26.972 1.00 0.00 H new ATOM 1029 N PRO A 57 -7.126 -10.601 -30.055 1.00 0.00 N ATOM 1030 CA PRO A 57 -6.879 -10.162 -31.409 1.00 0.00 C ATOM 1031 C PRO A 57 -7.903 -9.121 -31.871 1.00 0.00 C ATOM 1032 O PRO A 57 -8.652 -8.572 -31.084 1.00 0.00 O ATOM 1033 CB PRO A 57 -6.992 -11.430 -32.242 1.00 0.00 C ATOM 1034 CG PRO A 57 -7.837 -12.406 -31.414 1.00 0.00 C ATOM 1035 CD PRO A 57 -7.763 -11.935 -29.973 1.00 0.00 C ATOM 0 HA PRO A 57 -5.908 -9.676 -31.503 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.463 -11.225 -33.203 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.007 -11.848 -32.452 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.869 -12.418 -31.765 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.457 -13.423 -31.508 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.754 -11.875 -29.523 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.175 -12.619 -29.361 1.00 0.00 H new ATOM 1043 N HIS A 58 -7.937 -8.855 -33.155 1.00 0.00 N ATOM 1044 CA HIS A 58 -8.903 -7.859 -33.706 1.00 0.00 C ATOM 1045 C HIS A 58 -9.063 -8.106 -35.225 1.00 0.00 C ATOM 1046 O HIS A 58 -8.204 -8.717 -35.830 1.00 0.00 O ATOM 1047 CB HIS A 58 -8.362 -6.438 -33.476 1.00 0.00 C ATOM 1048 CG HIS A 58 -9.112 -5.765 -32.353 1.00 0.00 C ATOM 1049 ND1 HIS A 58 -10.469 -5.966 -32.129 1.00 0.00 N ATOM 1050 CD2 HIS A 58 -8.705 -4.873 -31.394 1.00 0.00 C ATOM 1051 CE1 HIS A 58 -10.819 -5.211 -31.074 1.00 0.00 C ATOM 1052 NE2 HIS A 58 -9.783 -4.526 -30.591 1.00 0.00 N ATOM 0 H HIS A 58 -7.330 -9.291 -33.849 1.00 0.00 H new ATOM 0 HA HIS A 58 -9.867 -7.964 -33.208 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -7.299 -6.481 -33.238 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.460 -5.852 -34.390 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -11.086 -6.575 -32.667 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.699 -4.498 -31.281 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -11.818 -5.165 -30.667 1.00 0.00 H new ATOM 1060 N PRO A 59 -10.157 -7.621 -35.810 1.00 0.00 N ATOM 1061 CA PRO A 59 -10.401 -7.791 -37.247 1.00 0.00 C ATOM 1062 C PRO A 59 -9.553 -6.797 -38.048 1.00 0.00 C ATOM 1063 O PRO A 59 -9.115 -5.786 -37.531 1.00 0.00 O ATOM 1064 CB PRO A 59 -11.894 -7.489 -37.406 1.00 0.00 C ATOM 1065 CG PRO A 59 -12.296 -6.621 -36.183 1.00 0.00 C ATOM 1066 CD PRO A 59 -11.223 -6.874 -35.102 1.00 0.00 C ATOM 0 HA PRO A 59 -10.137 -8.784 -37.611 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.086 -6.959 -38.339 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.476 -8.410 -37.437 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.336 -5.565 -36.452 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.286 -6.896 -35.820 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.846 -5.938 -34.690 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.626 -7.450 -34.269 1.00 0.00 H new ATOM 1074 N GLU A 60 -9.320 -7.081 -39.307 1.00 0.00 N ATOM 1075 CA GLU A 60 -8.499 -6.158 -40.148 1.00 0.00 C ATOM 1076 C GLU A 60 -9.212 -4.810 -40.275 1.00 0.00 C ATOM 1077 O GLU A 60 -8.680 -3.779 -39.900 1.00 0.00 O ATOM 1078 CB GLU A 60 -8.312 -6.769 -41.538 1.00 0.00 C ATOM 1079 CG GLU A 60 -7.585 -8.109 -41.413 1.00 0.00 C ATOM 1080 CD GLU A 60 -6.079 -7.889 -41.562 1.00 0.00 C ATOM 1081 OE1 GLU A 60 -5.689 -7.214 -42.501 1.00 0.00 O ATOM 1082 OE2 GLU A 60 -5.341 -8.398 -40.735 1.00 0.00 O ATOM 0 H GLU A 60 -9.664 -7.913 -39.787 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.526 -6.010 -39.681 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.280 -6.912 -42.017 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.740 -6.091 -42.171 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.803 -8.564 -40.447 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.940 -8.800 -42.178 1.00 0.00 H new ATOM 1089 N PHE A 61 -10.411 -4.810 -40.803 1.00 0.00 N ATOM 1090 CA PHE A 61 -11.167 -3.530 -40.958 1.00 0.00 C ATOM 1091 C PHE A 61 -12.636 -3.759 -40.599 1.00 0.00 C ATOM 1092 O PHE A 61 -13.244 -4.727 -41.020 1.00 0.00 O ATOM 1093 CB PHE A 61 -11.064 -3.052 -42.409 1.00 0.00 C ATOM 1094 CG PHE A 61 -9.906 -2.091 -42.544 1.00 0.00 C ATOM 1095 CD1 PHE A 61 -8.603 -2.581 -42.690 1.00 0.00 C ATOM 1096 CD2 PHE A 61 -10.137 -0.710 -42.522 1.00 0.00 C ATOM 1097 CE1 PHE A 61 -7.530 -1.689 -42.814 1.00 0.00 C ATOM 1098 CE2 PHE A 61 -9.065 0.180 -42.647 1.00 0.00 C ATOM 1099 CZ PHE A 61 -7.760 -0.309 -42.793 1.00 0.00 C ATOM 0 H PHE A 61 -10.899 -5.642 -41.134 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.745 -2.775 -40.295 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -10.922 -3.904 -43.074 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.992 -2.564 -42.709 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.425 -3.646 -42.707 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -11.142 -0.332 -42.409 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.524 -2.067 -42.926 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.243 1.245 -42.631 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.933 0.378 -42.889 1.00 0.00 H new ATOM 1109 N ILE A 62 -13.210 -2.876 -39.819 1.00 0.00 N ATOM 1110 CA ILE A 62 -14.641 -3.034 -39.422 1.00 0.00 C ATOM 1111 C ILE A 62 -15.528 -2.234 -40.380 1.00 0.00 C ATOM 1112 O ILE A 62 -15.623 -1.024 -40.286 1.00 0.00 O ATOM 1113 CB ILE A 62 -14.835 -2.518 -37.993 1.00 0.00 C ATOM 1114 CG1 ILE A 62 -13.847 -3.222 -37.057 1.00 0.00 C ATOM 1115 CG2 ILE A 62 -16.265 -2.810 -37.533 1.00 0.00 C ATOM 1116 CD1 ILE A 62 -13.701 -2.413 -35.768 1.00 0.00 C ATOM 0 H ILE A 62 -12.746 -2.050 -39.440 1.00 0.00 H new ATOM 0 HA ILE A 62 -14.916 -4.088 -39.467 1.00 0.00 H new ATOM 0 HB ILE A 62 -14.657 -1.443 -37.970 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -14.199 -4.228 -36.830 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.878 -3.326 -37.545 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -16.402 -2.443 -36.516 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -16.970 -2.311 -38.198 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -16.443 -3.885 -37.557 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.998 -2.914 -35.102 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -13.330 -1.416 -36.004 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -14.671 -2.332 -35.277 1.00 0.00 H new ATOM 1128 N VAL A 63 -16.180 -2.905 -41.299 1.00 0.00 N ATOM 1129 CA VAL A 63 -17.067 -2.193 -42.267 1.00 0.00 C ATOM 1130 C VAL A 63 -18.529 -2.526 -41.958 1.00 0.00 C ATOM 1131 O VAL A 63 -19.412 -1.708 -42.142 1.00 0.00 O ATOM 1132 CB VAL A 63 -16.729 -2.640 -43.694 1.00 0.00 C ATOM 1133 CG1 VAL A 63 -17.551 -1.828 -44.698 1.00 0.00 C ATOM 1134 CG2 VAL A 63 -15.238 -2.414 -43.957 1.00 0.00 C ATOM 0 H VAL A 63 -16.135 -3.917 -41.419 1.00 0.00 H new ATOM 0 HA VAL A 63 -16.914 -1.117 -42.179 1.00 0.00 H new ATOM 0 HB VAL A 63 -16.965 -3.698 -43.806 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.308 -2.149 -45.711 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.613 -1.987 -44.512 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -17.318 -0.769 -44.587 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -14.995 -2.731 -44.971 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -15.005 -1.355 -43.842 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.651 -2.994 -43.245 1.00 0.00 H new ATOM 1144 N THR A 64 -18.788 -3.722 -41.487 1.00 0.00 N ATOM 1145 CA THR A 64 -20.190 -4.116 -41.162 1.00 0.00 C ATOM 1146 C THR A 64 -20.717 -3.236 -40.027 1.00 0.00 C ATOM 1147 O THR A 64 -19.983 -2.855 -39.135 1.00 0.00 O ATOM 1148 CB THR A 64 -20.221 -5.583 -40.725 1.00 0.00 C ATOM 1149 OG1 THR A 64 -19.502 -5.729 -39.508 1.00 0.00 O ATOM 1150 CG2 THR A 64 -19.579 -6.452 -41.807 1.00 0.00 C ATOM 0 H THR A 64 -18.086 -4.442 -41.314 1.00 0.00 H new ATOM 0 HA THR A 64 -20.817 -3.986 -42.044 1.00 0.00 H new ATOM 0 HB THR A 64 -21.254 -5.897 -40.576 1.00 0.00 H new ATOM 0 HG1 THR A 64 -19.523 -6.667 -39.226 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.601 -7.496 -41.496 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.132 -6.340 -42.740 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.545 -6.140 -41.958 1.00 0.00 H new ATOM 1158 N ASP A 65 -21.987 -2.911 -40.057 1.00 0.00 N ATOM 1159 CA ASP A 65 -22.572 -2.054 -38.983 1.00 0.00 C ATOM 1160 C ASP A 65 -22.522 -2.803 -37.650 1.00 0.00 C ATOM 1161 O ASP A 65 -22.269 -3.996 -37.671 1.00 0.00 O ATOM 1162 CB ASP A 65 -24.026 -1.726 -39.330 1.00 0.00 C ATOM 1163 CG ASP A 65 -24.507 -0.560 -38.464 1.00 0.00 C ATOM 1164 OD1 ASP A 65 -24.017 0.540 -38.661 1.00 0.00 O ATOM 1165 OD2 ASP A 65 -25.356 -0.787 -37.619 1.00 0.00 O ATOM 1166 OXT ASP A 65 -22.738 -2.169 -36.628 1.00 0.00 O ATOM 0 H ASP A 65 -22.643 -3.204 -40.781 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.000 -1.130 -38.902 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -24.110 -1.468 -40.386 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -24.656 -2.600 -39.165 1.00 0.00 H new TER 1171 ASP A 65 ATOM 1172 N SER B 1 -12.036 -16.362 -9.981 1.00 0.00 N ATOM 1173 CA SER B 1 -12.117 -17.577 -9.103 1.00 0.00 C ATOM 1174 C SER B 1 -11.094 -17.469 -7.942 1.00 0.00 C ATOM 1175 O SER B 1 -11.473 -17.600 -6.795 1.00 0.00 O ATOM 1176 CB SER B 1 -11.833 -18.842 -9.928 1.00 0.00 C ATOM 1177 OG SER B 1 -13.056 -19.528 -10.169 1.00 0.00 O ATOM 0 H1 SER B 1 -12.993 -16.085 -10.279 1.00 0.00 H new ATOM 0 H2 SER B 1 -11.598 -15.581 -9.453 1.00 0.00 H new ATOM 0 H3 SER B 1 -11.461 -16.578 -10.820 1.00 0.00 H new ATOM 0 HA SER B 1 -13.122 -17.639 -8.685 1.00 0.00 H new ATOM 0 HB2 SER B 1 -11.359 -18.576 -10.873 1.00 0.00 H new ATOM 0 HB3 SER B 1 -11.138 -19.490 -9.394 1.00 0.00 H new ATOM 0 HG SER B 1 -12.880 -20.335 -10.697 1.00 0.00 H new ATOM 1185 N PRO B 2 -9.817 -17.233 -8.260 1.00 0.00 N ATOM 1186 CA PRO B 2 -8.779 -17.118 -7.228 1.00 0.00 C ATOM 1187 C PRO B 2 -8.821 -15.726 -6.586 1.00 0.00 C ATOM 1188 O PRO B 2 -9.364 -14.792 -7.147 1.00 0.00 O ATOM 1189 CB PRO B 2 -7.470 -17.316 -7.998 1.00 0.00 C ATOM 1190 CG PRO B 2 -7.778 -16.961 -9.478 1.00 0.00 C ATOM 1191 CD PRO B 2 -9.309 -17.066 -9.645 1.00 0.00 C ATOM 0 HA PRO B 2 -8.903 -17.838 -6.419 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -6.684 -16.675 -7.600 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -7.118 -18.344 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -7.430 -15.956 -9.716 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.266 -17.645 -10.155 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.720 -16.173 -10.115 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -9.584 -17.912 -10.274 1.00 0.00 H new ATOM 1199 N LEU B 3 -8.245 -15.585 -5.416 1.00 0.00 N ATOM 1200 CA LEU B 3 -8.241 -14.256 -4.736 1.00 0.00 C ATOM 1201 C LEU B 3 -7.434 -13.263 -5.578 1.00 0.00 C ATOM 1202 O LEU B 3 -6.515 -13.640 -6.283 1.00 0.00 O ATOM 1203 CB LEU B 3 -7.601 -14.394 -3.345 1.00 0.00 C ATOM 1204 CG LEU B 3 -7.588 -13.032 -2.639 1.00 0.00 C ATOM 1205 CD1 LEU B 3 -9.019 -12.602 -2.330 1.00 0.00 C ATOM 1206 CD2 LEU B 3 -6.790 -13.138 -1.340 1.00 0.00 C ATOM 0 H LEU B 3 -7.778 -16.334 -4.905 1.00 0.00 H new ATOM 0 HA LEU B 3 -9.264 -13.895 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.158 -15.117 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -6.584 -14.774 -3.439 1.00 0.00 H new ATOM 0 HG LEU B 3 -7.123 -12.291 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -9.008 -11.634 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -9.584 -12.523 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -9.489 -13.341 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -6.781 -12.170 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -7.252 -13.880 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -5.767 -13.440 -1.565 1.00 0.00 H new ATOM 1218 N LEU B 4 -7.767 -11.997 -5.501 1.00 0.00 N ATOM 1219 CA LEU B 4 -7.017 -10.978 -6.287 1.00 0.00 C ATOM 1220 C LEU B 4 -6.793 -9.712 -5.427 1.00 0.00 C ATOM 1221 O LEU B 4 -7.527 -8.751 -5.557 1.00 0.00 O ATOM 1222 CB LEU B 4 -7.810 -10.614 -7.544 1.00 0.00 C ATOM 1223 CG LEU B 4 -7.633 -11.708 -8.596 1.00 0.00 C ATOM 1224 CD1 LEU B 4 -8.702 -11.554 -9.678 1.00 0.00 C ATOM 1225 CD2 LEU B 4 -6.244 -11.584 -9.231 1.00 0.00 C ATOM 0 H LEU B 4 -8.526 -11.629 -4.927 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.050 -11.389 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -8.866 -10.498 -7.299 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.467 -9.657 -7.938 1.00 0.00 H new ATOM 0 HG LEU B 4 -7.733 -12.685 -8.124 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.575 -12.335 -10.428 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -9.691 -11.641 -9.228 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -8.603 -10.577 -10.151 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -6.116 -12.364 -9.982 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -6.146 -10.606 -9.703 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -5.481 -11.693 -8.461 1.00 0.00 H new ATOM 1237 N PRO B 5 -5.776 -9.743 -4.564 1.00 0.00 N ATOM 1238 CA PRO B 5 -5.462 -8.603 -3.697 1.00 0.00 C ATOM 1239 C PRO B 5 -4.651 -7.557 -4.474 1.00 0.00 C ATOM 1240 O PRO B 5 -5.093 -6.441 -4.677 1.00 0.00 O ATOM 1241 CB PRO B 5 -4.619 -9.218 -2.573 1.00 0.00 C ATOM 1242 CG PRO B 5 -4.018 -10.534 -3.148 1.00 0.00 C ATOM 1243 CD PRO B 5 -4.872 -10.904 -4.380 1.00 0.00 C ATOM 0 HA PRO B 5 -6.349 -8.093 -3.322 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -3.830 -8.534 -2.260 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -5.231 -9.421 -1.694 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -2.974 -10.394 -3.428 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -4.045 -11.330 -2.404 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -4.250 -11.067 -5.260 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -5.434 -11.823 -4.212 1.00 0.00 H new ATOM 1251 N LYS B 6 -3.469 -7.918 -4.911 1.00 0.00 N ATOM 1252 CA LYS B 6 -2.616 -6.963 -5.681 1.00 0.00 C ATOM 1253 C LYS B 6 -1.888 -7.730 -6.789 1.00 0.00 C ATOM 1254 O LYS B 6 -2.234 -8.857 -7.096 1.00 0.00 O ATOM 1255 CB LYS B 6 -1.590 -6.321 -4.741 1.00 0.00 C ATOM 1256 CG LYS B 6 -2.319 -5.612 -3.597 1.00 0.00 C ATOM 1257 CD LYS B 6 -1.480 -4.425 -3.114 1.00 0.00 C ATOM 1258 CE LYS B 6 -2.188 -3.738 -1.943 1.00 0.00 C ATOM 1259 NZ LYS B 6 -2.956 -2.564 -2.447 1.00 0.00 N ATOM 0 H LYS B 6 -3.057 -8.840 -4.766 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.237 -6.182 -6.120 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -0.920 -7.083 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -0.973 -5.609 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -3.297 -5.267 -3.933 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -2.492 -6.307 -2.775 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -0.492 -4.767 -2.805 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -1.332 -3.716 -3.929 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -2.859 -4.440 -1.448 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -1.458 -3.417 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -3.437 -2.097 -1.652 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -2.305 -1.892 -2.901 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -3.663 -2.883 -3.140 1.00 0.00 H new ATOM 1273 N LEU B 7 -0.880 -7.136 -7.390 1.00 0.00 N ATOM 1274 CA LEU B 7 -0.132 -7.844 -8.475 1.00 0.00 C ATOM 1275 C LEU B 7 0.490 -9.148 -7.900 1.00 0.00 C ATOM 1276 O LEU B 7 1.347 -9.073 -7.043 1.00 0.00 O ATOM 1277 CB LEU B 7 0.985 -6.932 -9.013 1.00 0.00 C ATOM 1278 CG LEU B 7 0.796 -6.708 -10.527 1.00 0.00 C ATOM 1279 CD1 LEU B 7 0.822 -8.053 -11.266 1.00 0.00 C ATOM 1280 CD2 LEU B 7 -0.553 -6.005 -10.783 1.00 0.00 C ATOM 0 H LEU B 7 -0.547 -6.196 -7.175 1.00 0.00 H new ATOM 0 HA LEU B 7 -0.814 -8.092 -9.288 1.00 0.00 H new ATOM 0 HB2 LEU B 7 0.969 -5.976 -8.490 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.959 -7.383 -8.822 1.00 0.00 H new ATOM 0 HG LEU B 7 1.609 -6.082 -10.897 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.688 -7.884 -12.334 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.780 -8.544 -11.094 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.017 -8.688 -10.895 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.684 -5.848 -11.854 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.365 -6.627 -10.405 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.565 -5.043 -10.271 1.00 0.00 H new ATOM 1292 N PRO B 8 0.046 -10.318 -8.378 1.00 0.00 N ATOM 1293 CA PRO B 8 0.575 -11.597 -7.883 1.00 0.00 C ATOM 1294 C PRO B 8 1.981 -11.876 -8.484 1.00 0.00 C ATOM 1295 O PRO B 8 2.201 -11.609 -9.648 1.00 0.00 O ATOM 1296 CB PRO B 8 -0.443 -12.634 -8.372 1.00 0.00 C ATOM 1297 CG PRO B 8 -1.181 -11.987 -9.574 1.00 0.00 C ATOM 1298 CD PRO B 8 -0.995 -10.462 -9.426 1.00 0.00 C ATOM 0 HA PRO B 8 0.699 -11.612 -6.800 1.00 0.00 H new ATOM 0 HB2 PRO B 8 0.055 -13.556 -8.672 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -1.145 -12.894 -7.579 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -0.768 -12.339 -10.519 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -2.238 -12.252 -9.570 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -0.679 -10.007 -10.365 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -1.925 -9.975 -9.132 1.00 0.00 H new ATOM 1306 N PRO B 9 2.904 -12.407 -7.670 1.00 0.00 N ATOM 1307 CA PRO B 9 4.264 -12.709 -8.134 1.00 0.00 C ATOM 1308 C PRO B 9 4.288 -14.042 -8.887 1.00 0.00 C ATOM 1309 O PRO B 9 3.276 -14.704 -9.030 1.00 0.00 O ATOM 1310 CB PRO B 9 5.079 -12.816 -6.843 1.00 0.00 C ATOM 1311 CG PRO B 9 4.063 -13.148 -5.714 1.00 0.00 C ATOM 1312 CD PRO B 9 2.673 -12.741 -6.243 1.00 0.00 C ATOM 0 HA PRO B 9 4.652 -11.955 -8.819 1.00 0.00 H new ATOM 0 HB2 PRO B 9 5.838 -13.594 -6.925 1.00 0.00 H new ATOM 0 HB3 PRO B 9 5.602 -11.882 -6.634 1.00 0.00 H new ATOM 0 HG2 PRO B 9 4.089 -14.210 -5.468 1.00 0.00 H new ATOM 0 HG3 PRO B 9 4.306 -12.604 -4.801 1.00 0.00 H new ATOM 0 HD2 PRO B 9 1.954 -13.553 -6.136 1.00 0.00 H new ATOM 0 HD3 PRO B 9 2.274 -11.888 -5.695 1.00 0.00 H new ATOM 1320 N LYS B 10 5.444 -14.445 -9.364 1.00 0.00 N ATOM 1321 CA LYS B 10 5.551 -15.744 -10.104 1.00 0.00 C ATOM 1322 C LYS B 10 4.599 -15.732 -11.310 1.00 0.00 C ATOM 1323 O LYS B 10 4.127 -14.689 -11.727 1.00 0.00 O ATOM 1324 CB LYS B 10 5.185 -16.900 -9.153 1.00 0.00 C ATOM 1325 CG LYS B 10 6.405 -17.808 -8.942 1.00 0.00 C ATOM 1326 CD LYS B 10 7.377 -17.149 -7.950 1.00 0.00 C ATOM 1327 CE LYS B 10 8.826 -17.366 -8.414 1.00 0.00 C ATOM 1328 NZ LYS B 10 9.634 -17.902 -7.282 1.00 0.00 N ATOM 0 H LYS B 10 6.319 -13.929 -9.272 1.00 0.00 H new ATOM 0 HA LYS B 10 6.571 -15.881 -10.462 1.00 0.00 H new ATOM 0 HB2 LYS B 10 4.847 -16.502 -8.196 1.00 0.00 H new ATOM 0 HB3 LYS B 10 4.359 -17.477 -9.569 1.00 0.00 H new ATOM 0 HG2 LYS B 10 6.086 -18.779 -8.563 1.00 0.00 H new ATOM 0 HG3 LYS B 10 6.906 -17.986 -9.893 1.00 0.00 H new ATOM 0 HD2 LYS B 10 7.166 -16.082 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS B 10 7.237 -17.572 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS B 10 8.850 -18.061 -9.253 1.00 0.00 H new ATOM 0 HE3 LYS B 10 9.251 -16.426 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 10.615 -18.049 -7.595 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 9.620 -17.224 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 9.232 -18.808 -6.966 1.00 0.00 H new ATOM 1342 N THR B 11 4.319 -16.884 -11.873 1.00 0.00 N ATOM 1343 CA THR B 11 3.403 -16.941 -13.052 1.00 0.00 C ATOM 1344 C THR B 11 1.945 -17.162 -12.564 1.00 0.00 C ATOM 1345 O THR B 11 1.310 -16.234 -12.093 1.00 0.00 O ATOM 1346 CB THR B 11 3.859 -18.071 -13.993 1.00 0.00 C ATOM 1347 OG1 THR B 11 4.422 -19.131 -13.228 1.00 0.00 O ATOM 1348 CG2 THR B 11 4.909 -17.531 -14.965 1.00 0.00 C ATOM 0 H THR B 11 4.686 -17.785 -11.566 1.00 0.00 H new ATOM 0 HA THR B 11 3.436 -16.001 -13.604 1.00 0.00 H new ATOM 0 HB THR B 11 3.002 -18.444 -14.553 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.710 -19.850 -13.828 1.00 0.00 H new ATOM 0 HG21 THR B 11 5.233 -18.330 -15.632 1.00 0.00 H new ATOM 0 HG22 THR B 11 4.478 -16.720 -15.553 1.00 0.00 H new ATOM 0 HG23 THR B 11 5.766 -17.157 -14.404 1.00 0.00 H new ATOM 1356 N TYR B 12 1.399 -18.370 -12.666 1.00 0.00 N ATOM 1357 CA TYR B 12 -0.013 -18.602 -12.200 1.00 0.00 C ATOM 1358 C TYR B 12 -0.376 -20.082 -12.373 1.00 0.00 C ATOM 1359 O TYR B 12 -0.615 -20.549 -13.470 1.00 0.00 O ATOM 1360 CB TYR B 12 -1.037 -17.726 -12.992 1.00 0.00 C ATOM 1361 CG TYR B 12 -0.460 -17.215 -14.308 1.00 0.00 C ATOM 1362 CD1 TYR B 12 0.020 -18.113 -15.271 1.00 0.00 C ATOM 1363 CD2 TYR B 12 -0.408 -15.837 -14.554 1.00 0.00 C ATOM 1364 CE1 TYR B 12 0.548 -17.634 -16.475 1.00 0.00 C ATOM 1365 CE2 TYR B 12 0.120 -15.358 -15.759 1.00 0.00 C ATOM 1366 CZ TYR B 12 0.598 -16.257 -16.720 1.00 0.00 C ATOM 1367 OH TYR B 12 1.119 -15.785 -17.907 1.00 0.00 O ATOM 0 H TYR B 12 1.870 -19.190 -13.048 1.00 0.00 H new ATOM 0 HA TYR B 12 -0.066 -18.319 -11.149 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -1.934 -18.311 -13.193 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -1.340 -16.879 -12.377 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -0.018 -19.176 -15.084 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -0.776 -15.143 -13.813 1.00 0.00 H new ATOM 0 HE1 TYR B 12 0.917 -18.328 -17.216 1.00 0.00 H new ATOM 0 HE2 TYR B 12 0.159 -14.295 -15.947 1.00 0.00 H new ATOM 0 HH TYR B 12 0.965 -16.443 -18.616 1.00 0.00 H new ATOM 1377 N LYS B 13 -0.427 -20.822 -11.291 1.00 0.00 N ATOM 1378 CA LYS B 13 -0.781 -22.272 -11.384 1.00 0.00 C ATOM 1379 C LYS B 13 -1.883 -22.591 -10.370 1.00 0.00 C ATOM 1380 O LYS B 13 -1.614 -23.019 -9.263 1.00 0.00 O ATOM 1381 CB LYS B 13 0.456 -23.121 -11.084 1.00 0.00 C ATOM 1382 CG LYS B 13 0.440 -24.378 -11.959 1.00 0.00 C ATOM 1383 CD LYS B 13 -0.341 -25.486 -11.251 1.00 0.00 C ATOM 1384 CE LYS B 13 -0.639 -26.614 -12.240 1.00 0.00 C ATOM 1385 NZ LYS B 13 -1.457 -26.084 -13.368 1.00 0.00 N ATOM 0 H LYS B 13 -0.238 -20.483 -10.348 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.136 -22.497 -12.389 1.00 0.00 H new ATOM 0 HB2 LYS B 13 1.361 -22.544 -11.275 1.00 0.00 H new ATOM 0 HB3 LYS B 13 0.472 -23.399 -10.030 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -0.017 -24.156 -12.923 1.00 0.00 H new ATOM 0 HG3 LYS B 13 1.460 -24.708 -12.158 1.00 0.00 H new ATOM 0 HD2 LYS B 13 0.235 -25.870 -10.409 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -1.272 -25.088 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS B 13 0.292 -27.035 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -1.173 -27.421 -11.738 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -2.068 -26.840 -13.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -2.047 -25.297 -13.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -0.828 -25.745 -14.124 1.00 0.00 H new ATOM 1399 N ARG B 14 -3.123 -22.382 -10.742 1.00 0.00 N ATOM 1400 CA ARG B 14 -4.251 -22.668 -9.805 1.00 0.00 C ATOM 1401 C ARG B 14 -5.386 -23.358 -10.565 1.00 0.00 C ATOM 1402 O ARG B 14 -6.551 -23.158 -10.273 1.00 0.00 O ATOM 1403 CB ARG B 14 -4.762 -21.353 -9.209 1.00 0.00 C ATOM 1404 CG ARG B 14 -3.731 -20.801 -8.213 1.00 0.00 C ATOM 1405 CD ARG B 14 -3.601 -19.286 -8.394 1.00 0.00 C ATOM 1406 NE ARG B 14 -2.933 -18.697 -7.199 1.00 0.00 N ATOM 1407 CZ ARG B 14 -1.816 -18.036 -7.332 1.00 0.00 C ATOM 1408 NH1 ARG B 14 -1.669 -17.194 -8.320 1.00 0.00 N ATOM 1409 NH2 ARG B 14 -0.846 -18.213 -6.478 1.00 0.00 N ATOM 0 H ARG B 14 -3.401 -22.025 -11.656 1.00 0.00 H new ATOM 0 HA ARG B 14 -3.902 -23.321 -9.005 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -4.940 -20.628 -10.003 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -5.716 -21.516 -8.707 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -4.037 -21.030 -7.192 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -2.765 -21.280 -8.371 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -3.024 -19.065 -9.292 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -4.586 -18.840 -8.530 1.00 0.00 H new ATOM 0 HE ARG B 14 -3.350 -18.811 -6.275 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -2.427 -17.053 -8.987 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -0.796 -16.677 -8.424 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -0.960 -18.869 -5.705 1.00 0.00 H new ATOM 0 HH22 ARG B 14 0.027 -17.696 -6.583 1.00 0.00 H new ATOM 1423 N GLU B 15 -5.054 -24.170 -11.539 1.00 0.00 N ATOM 1424 CA GLU B 15 -6.109 -24.879 -12.324 1.00 0.00 C ATOM 1425 C GLU B 15 -5.555 -26.207 -12.841 1.00 0.00 C ATOM 1426 O GLU B 15 -4.650 -26.171 -13.657 1.00 0.00 O ATOM 1427 CB GLU B 15 -6.535 -24.008 -13.507 1.00 0.00 C ATOM 1428 CG GLU B 15 -7.900 -24.472 -14.019 1.00 0.00 C ATOM 1429 CD GLU B 15 -8.169 -23.853 -15.390 1.00 0.00 C ATOM 1430 OE1 GLU B 15 -7.950 -22.662 -15.533 1.00 0.00 O ATOM 1431 OE2 GLU B 15 -8.591 -24.581 -16.274 1.00 0.00 O ATOM 1432 OXT GLU B 15 -6.047 -27.238 -12.413 1.00 0.00 O ATOM 0 H GLU B 15 -4.096 -24.372 -11.824 1.00 0.00 H new ATOM 0 HA GLU B 15 -6.971 -25.070 -11.685 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -6.585 -22.963 -13.203 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -5.795 -24.072 -14.305 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.923 -25.560 -14.089 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -8.681 -24.181 -13.317 1.00 0.00 H new TER 1439 GLU B 15