USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 914 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 84 ASN : amide:sc= 1.51 K(o=2.5,f=-1.9) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 179:sc= 0.966 (180deg=0) USER MOD Set 2.1: A 64 GLN : amide:sc= 0.202 K(o=0.32,f=-0.33) USER MOD Set 2.2: A 68 ASN : amide:sc= 0.116 K(o=0.32,f=-0.87) USER MOD Set 3.1: A 42 CYS SG : rot -36:sc= -0.737 USER MOD Set 3.2: A 62 CYS SG : rot -138:sc= 1.05 USER MOD Set 4.1: A 17 GLN : amide:sc= 0.942 K(o=3,f=-4) USER MOD Set 4.2: A 20 LYS NZ :NH3+ 168:sc= 2.01 (180deg=0.973) USER MOD Set 5.1: A 14 GLN : amide:sc= 0.0182 X(o=-0.027,f=-0.076) USER MOD Set 5.2: A 98 GLN :FLIP amide:sc= -0.045 X(o=-0.076,f=-0.027) USER MOD Single : A 3 GLN : amide:sc= 0.922 K(o=0.92,f=0) USER MOD Single : A 6 SER OG : rot -27:sc= 0.227 USER MOD Single : A 7 GLN : amide:sc= 0.482 X(o=0.48,f=0) USER MOD Single : A 8 HIS : +bothHN:sc= 1.19 K(o=1.2,f=-4.1!) USER MOD Single : A 11 TYR OH : rot 169:sc= 0.0051 USER MOD Single : A 16 LYS NZ :NH3+ -152:sc= 0.543 (180deg=-0.14!) USER MOD Single : A 21 THR OG1 : rot -46:sc= 1.24 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0.666 (180deg=0.589) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc=-0.000744 (180deg=-0.077) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -179:sc= 0.0254 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 68:sc= 0.691 USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0165) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 72:sc= 0.858 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= -0.0241 (180deg=-0.0241) USER MOD Single : A 78 THR OG1 : rot -105:sc= 0.016 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 169:sc= 0.951 (180deg=0.73) USER MOD Single : A 93 LYS NZ :NH3+ 151:sc= 0.573 (180deg=0.198) USER MOD Single : A 96 ASN : amide:sc= 0.0373 K(o=0.037,f=-5.8!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.518 K(o=0.52,f=-5.9!) USER MOD Single : A 106 THR OG1 : rot 63:sc= 0.882 USER MOD Single : A 111 LYS NZ :NH3+ 157:sc= 0.831 (180deg=0.262) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 0.940 0.876 2.320 1.00 25.00 N ATOM 44 CA GLY A 2 0.501 1.682 3.452 1.00 25.00 C ATOM 45 C GLY A 2 0.123 3.083 3.028 1.00 25.00 C ATOM 46 O GLY A 2 -0.844 3.656 3.533 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.354 1.203 3.930 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.297 1.729 4.196 1.00 25.00 H new ATOM 50 N GLN A 3 0.849 3.630 2.063 1.00 25.00 N ATOM 51 CA GLN A 3 0.553 4.973 1.578 1.00 25.00 C ATOM 52 C GLN A 3 -0.782 5.013 0.844 1.00 25.00 C ATOM 53 O GLN A 3 -1.520 5.987 0.971 1.00 25.00 O ATOM 54 CB GLN A 3 1.667 5.482 0.662 1.00 25.00 C ATOM 55 CG GLN A 3 2.967 5.774 1.401 1.00 25.00 C ATOM 56 CD GLN A 3 3.998 6.437 0.511 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.897 7.616 0.210 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.987 5.695 0.101 1.00 25.00 N ATOM 0 H GLN A 3 1.637 3.173 1.605 1.00 25.00 H new ATOM 0 HA GLN A 3 0.489 5.627 2.448 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.857 4.741 -0.114 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.330 6.389 0.161 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.760 6.418 2.255 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.375 4.843 1.795 1.00 25.00 H new ATOM 0 HE21 GLN A 3 5.036 4.714 0.374 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.713 6.095 -0.493 1.00 25.00 H new ATOM 67 N GLU A 4 -1.122 3.968 0.098 1.00 25.00 N ATOM 68 CA GLU A 4 -2.410 3.964 -0.593 1.00 25.00 C ATOM 69 C GLU A 4 -3.535 3.615 0.391 1.00 25.00 C ATOM 70 O GLU A 4 -4.642 4.121 0.274 1.00 25.00 O ATOM 71 CB GLU A 4 -2.421 3.052 -1.835 1.00 25.00 C ATOM 72 CG GLU A 4 -2.483 1.552 -1.580 1.00 25.00 C ATOM 73 CD GLU A 4 -2.751 0.767 -2.848 1.00 25.00 C ATOM 74 OE1 GLU A 4 -3.857 0.926 -3.420 1.00 25.00 O ATOM 75 OE2 GLU A 4 -1.878 -0.020 -3.265 1.00 25.00 O ATOM 0 H GLU A 4 -0.547 3.137 -0.043 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.584 4.971 -0.973 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -3.276 3.328 -2.453 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.525 3.261 -2.419 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.542 1.220 -1.141 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.266 1.341 -0.852 1.00 25.00 H new ATOM 82 N LEU A 5 -3.236 2.810 1.401 1.00 25.00 N ATOM 83 CA LEU A 5 -4.237 2.445 2.406 1.00 25.00 C ATOM 84 C LEU A 5 -4.702 3.672 3.187 1.00 25.00 C ATOM 85 O LEU A 5 -5.896 3.843 3.424 1.00 25.00 O ATOM 86 CB LEU A 5 -3.667 1.401 3.370 1.00 25.00 C ATOM 87 CG LEU A 5 -3.561 -0.043 2.845 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.797 -0.892 3.854 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.928 -0.667 2.587 1.00 25.00 C ATOM 0 H LEU A 5 -2.315 2.397 1.550 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.096 2.021 1.886 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.672 1.726 3.674 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.287 1.392 4.267 1.00 25.00 H new ATOM 0 HG LEU A 5 -3.031 -0.010 1.893 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.720 -1.915 3.485 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.797 -0.481 3.993 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.326 -0.889 4.807 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.800 -1.685 2.218 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.500 -0.687 3.515 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.463 -0.076 1.843 1.00 25.00 H new ATOM 101 N SER A 6 -3.770 4.552 3.534 1.00 25.00 N ATOM 102 CA SER A 6 -4.095 5.806 4.219 1.00 25.00 C ATOM 103 C SER A 6 -5.016 6.748 3.425 1.00 25.00 C ATOM 104 O SER A 6 -5.539 7.702 3.992 1.00 25.00 O ATOM 105 CB SER A 6 -2.805 6.564 4.545 1.00 25.00 C ATOM 106 OG SER A 6 -3.053 7.597 5.485 1.00 25.00 O ATOM 0 H SER A 6 -2.775 4.422 3.352 1.00 25.00 H new ATOM 0 HA SER A 6 -4.638 5.513 5.118 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.063 5.873 4.944 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.387 6.989 3.633 1.00 25.00 H new ATOM 0 HG SER A 6 -3.983 7.895 5.405 1.00 25.00 H new ATOM 112 N GLN A 7 -5.207 6.500 2.133 1.00 25.00 N ATOM 113 CA GLN A 7 -6.060 7.332 1.288 1.00 25.00 C ATOM 114 C GLN A 7 -7.163 6.482 0.640 1.00 25.00 C ATOM 115 O GLN A 7 -7.724 6.829 -0.397 1.00 25.00 O ATOM 116 CB GLN A 7 -5.211 8.046 0.230 1.00 25.00 C ATOM 117 CG GLN A 7 -4.423 7.118 -0.668 1.00 25.00 C ATOM 118 CD GLN A 7 -3.514 7.846 -1.622 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.958 8.517 -2.534 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.231 7.696 -1.427 1.00 25.00 N ATOM 0 H GLN A 7 -4.776 5.717 1.642 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.544 8.090 1.904 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -5.864 8.662 -0.388 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.518 8.721 0.732 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.828 6.445 -0.051 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -5.116 6.499 -1.238 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.896 7.125 -0.651 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.564 8.150 -2.051 1.00 25.00 H new ATOM 129 N HIS A 8 -7.489 5.363 1.269 1.00 25.00 N ATOM 130 CA HIS A 8 -8.607 4.523 0.828 1.00 25.00 C ATOM 131 C HIS A 8 -9.619 4.571 1.956 1.00 25.00 C ATOM 132 O HIS A 8 -9.580 3.763 2.871 1.00 25.00 O ATOM 133 CB HIS A 8 -8.143 3.090 0.539 1.00 25.00 C ATOM 134 CG HIS A 8 -7.307 2.965 -0.699 1.00 25.00 C ATOM 135 ND1 HIS A 8 -7.094 4.013 -1.606 1.00 25.00 N ATOM 136 CD2 HIS A 8 -6.600 1.922 -1.212 1.00 25.00 C ATOM 137 CE1 HIS A 8 -6.303 3.579 -2.580 1.00 25.00 C ATOM 138 NE2 HIS A 8 -5.997 2.328 -2.360 1.00 25.00 N ATOM 0 H HIS A 8 -6.997 5.009 2.090 1.00 25.00 H new ATOM 0 HA HIS A 8 -9.040 4.882 -0.105 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.571 2.724 1.392 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -9.018 2.447 0.442 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -7.482 4.953 -1.530 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -6.530 0.935 -0.779 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -5.966 4.167 -3.421 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -5.402 1.750 -2.954 1.00 25.00 H new ATOM 146 N GLU A 9 -10.459 5.592 1.929 1.00 25.00 N ATOM 147 CA GLU A 9 -11.308 5.951 3.070 1.00 25.00 C ATOM 148 C GLU A 9 -12.136 4.828 3.698 1.00 25.00 C ATOM 149 O GLU A 9 -12.216 4.755 4.911 1.00 25.00 O ATOM 150 CB GLU A 9 -12.209 7.119 2.685 1.00 25.00 C ATOM 151 CG GLU A 9 -11.406 8.365 2.321 1.00 25.00 C ATOM 152 CD GLU A 9 -12.290 9.566 2.059 1.00 25.00 C ATOM 153 OE1 GLU A 9 -13.130 9.490 1.140 1.00 25.00 O ATOM 154 OE2 GLU A 9 -12.126 10.590 2.753 1.00 25.00 O ATOM 0 H GLU A 9 -10.577 6.200 1.119 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.605 6.221 3.858 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.834 6.831 1.840 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.879 7.349 3.514 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.714 8.597 3.130 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -10.804 8.160 1.435 1.00 25.00 H new ATOM 161 N ARG A 10 -12.670 3.901 2.909 1.00 25.00 N ATOM 162 CA ARG A 10 -13.421 2.764 3.482 1.00 25.00 C ATOM 163 C ARG A 10 -12.582 1.993 4.507 1.00 25.00 C ATOM 164 O ARG A 10 -13.085 1.513 5.521 1.00 25.00 O ATOM 165 CB ARG A 10 -13.814 1.758 2.401 1.00 25.00 C ATOM 166 CG ARG A 10 -14.828 2.208 1.356 1.00 25.00 C ATOM 167 CD ARG A 10 -15.080 1.081 0.302 1.00 25.00 C ATOM 168 NE ARG A 10 -14.448 -0.207 0.672 1.00 25.00 N ATOM 169 CZ ARG A 10 -14.502 -1.335 -0.028 1.00 25.00 C ATOM 170 NH1 ARG A 10 -15.150 -1.446 -1.158 1.00 25.00 N ATOM 171 NH2 ARG A 10 -13.881 -2.375 0.432 1.00 25.00 N ATOM 0 H ARG A 10 -12.605 3.903 1.891 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.303 3.197 3.953 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -12.907 1.453 1.880 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.211 0.871 2.895 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.766 2.472 1.844 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.466 3.106 0.855 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -16.154 0.933 0.186 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -14.696 1.403 -0.666 1.00 25.00 H new ATOM 0 HE ARG A 10 -13.922 -0.230 1.546 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -15.646 -0.642 -1.542 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -15.159 -2.336 -1.655 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -13.367 -2.315 1.311 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -13.906 -3.254 -0.085 1.00 25.00 H new ATOM 185 N TYR A 11 -11.301 1.858 4.212 1.00 25.00 N ATOM 186 CA TYR A 11 -10.370 1.139 5.069 1.00 25.00 C ATOM 187 C TYR A 11 -9.915 2.043 6.217 1.00 25.00 C ATOM 188 O TYR A 11 -9.747 1.593 7.356 1.00 25.00 O ATOM 189 CB TYR A 11 -9.178 0.699 4.220 1.00 25.00 C ATOM 190 CG TYR A 11 -8.041 0.132 5.015 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.056 -1.206 5.450 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.925 0.930 5.334 1.00 25.00 C ATOM 193 CE1 TYR A 11 -6.971 -1.734 6.182 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.843 0.394 6.061 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.875 -0.933 6.472 1.00 25.00 C ATOM 196 OH TYR A 11 -4.824 -1.461 7.164 1.00 25.00 O ATOM 0 H TYR A 11 -10.874 2.244 3.370 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.851 0.263 5.503 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.513 -0.048 3.501 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.817 1.554 3.648 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -8.905 -1.834 5.222 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.898 1.963 5.018 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -6.993 -2.761 6.516 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.991 1.013 6.298 1.00 25.00 H new ATOM 0 HH TYR A 11 -4.067 -0.840 7.133 1.00 25.00 H new ATOM 206 N VAL A 12 -9.757 3.327 5.923 1.00 25.00 N ATOM 207 CA VAL A 12 -9.363 4.313 6.932 1.00 25.00 C ATOM 208 C VAL A 12 -10.391 4.365 8.061 1.00 25.00 C ATOM 209 O VAL A 12 -10.004 4.437 9.217 1.00 25.00 O ATOM 210 CB VAL A 12 -9.190 5.736 6.302 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.889 6.797 7.367 1.00 25.00 C ATOM 212 CG2 VAL A 12 -8.050 5.727 5.274 1.00 25.00 C ATOM 0 H VAL A 12 -9.896 3.716 4.990 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.401 4.001 7.339 1.00 25.00 H new ATOM 0 HB VAL A 12 -10.132 5.989 5.816 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.776 7.770 6.889 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.710 6.837 8.083 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.967 6.539 7.887 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.940 6.722 4.844 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -7.120 5.439 5.764 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.279 5.013 4.483 1.00 25.00 H new ATOM 222 N GLU A 13 -11.681 4.281 7.758 1.00 25.00 N ATOM 223 CA GLU A 13 -12.706 4.314 8.815 1.00 25.00 C ATOM 224 C GLU A 13 -12.511 3.181 9.820 1.00 25.00 C ATOM 225 O GLU A 13 -12.584 3.391 11.036 1.00 25.00 O ATOM 226 CB GLU A 13 -14.126 4.227 8.238 1.00 25.00 C ATOM 227 CG GLU A 13 -14.506 5.376 7.312 1.00 25.00 C ATOM 228 CD GLU A 13 -14.092 6.725 7.866 1.00 25.00 C ATOM 229 OE1 GLU A 13 -14.567 7.113 8.958 1.00 25.00 O ATOM 230 OE2 GLU A 13 -13.221 7.377 7.256 1.00 25.00 O ATOM 0 H GLU A 13 -12.046 4.191 6.810 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.588 5.271 9.323 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -14.225 3.289 7.691 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.838 4.192 9.063 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -14.037 5.226 6.340 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.584 5.368 7.150 1.00 25.00 H new ATOM 237 N GLN A 14 -12.204 1.989 9.329 1.00 25.00 N ATOM 238 CA GLN A 14 -11.950 0.861 10.221 1.00 25.00 C ATOM 239 C GLN A 14 -10.726 1.151 11.078 1.00 25.00 C ATOM 240 O GLN A 14 -10.715 0.875 12.280 1.00 25.00 O ATOM 241 CB GLN A 14 -11.725 -0.430 9.429 1.00 25.00 C ATOM 242 CG GLN A 14 -12.920 -0.858 8.588 1.00 25.00 C ATOM 243 CD GLN A 14 -14.181 -1.022 9.409 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.160 -0.344 9.188 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.158 -1.915 10.364 1.00 25.00 N ATOM 0 H GLN A 14 -12.125 1.777 8.334 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.825 0.726 10.857 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -10.863 -0.297 8.775 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.477 -1.232 10.124 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.093 -0.118 7.807 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -12.690 -1.800 8.090 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.317 -2.470 10.524 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.981 -2.057 10.949 1.00 25.00 H new ATOM 254 N LEU A 15 -9.699 1.734 10.474 1.00 25.00 N ATOM 255 CA LEU A 15 -8.485 2.063 11.211 1.00 25.00 C ATOM 256 C LEU A 15 -8.657 3.229 12.180 1.00 25.00 C ATOM 257 O LEU A 15 -7.918 3.311 13.153 1.00 25.00 O ATOM 258 CB LEU A 15 -7.326 2.381 10.265 1.00 25.00 C ATOM 259 CG LEU A 15 -6.602 1.235 9.542 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.280 1.800 9.023 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.310 0.021 10.437 1.00 25.00 C ATOM 0 H LEU A 15 -9.681 1.987 9.486 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.261 1.171 11.796 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.705 3.061 9.502 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.578 2.930 10.838 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.253 0.872 8.746 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.730 1.017 8.500 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.480 2.623 8.337 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -4.685 2.163 9.861 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.798 -0.745 9.855 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.678 0.327 11.270 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -7.247 -0.381 10.821 1.00 25.00 H new ATOM 273 N LYS A 16 -9.625 4.113 11.958 1.00 25.00 N ATOM 274 CA LYS A 16 -9.855 5.236 12.883 1.00 25.00 C ATOM 275 C LYS A 16 -10.199 4.654 14.232 1.00 25.00 C ATOM 276 O LYS A 16 -9.796 5.176 15.271 1.00 25.00 O ATOM 277 CB LYS A 16 -11.001 6.143 12.416 1.00 25.00 C ATOM 278 CG LYS A 16 -10.647 7.095 11.277 1.00 25.00 C ATOM 279 CD LYS A 16 -11.880 7.893 10.863 1.00 25.00 C ATOM 280 CE LYS A 16 -11.603 8.794 9.659 1.00 25.00 C ATOM 281 NZ LYS A 16 -12.871 9.439 9.162 1.00 25.00 N ATOM 0 H LYS A 16 -10.259 4.082 11.159 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.954 5.849 12.925 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.835 5.516 12.100 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.349 6.731 13.266 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.854 7.773 11.592 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.266 6.531 10.426 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.692 7.207 10.623 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.216 8.502 11.702 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.883 9.565 9.935 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.151 8.208 8.859 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -12.785 9.635 8.144 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.673 8.798 9.324 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -13.031 10.330 9.674 1.00 25.00 H new ATOM 295 N GLN A 17 -10.917 3.546 14.217 1.00 25.00 N ATOM 296 CA GLN A 17 -11.246 2.845 15.444 1.00 25.00 C ATOM 297 C GLN A 17 -10.100 1.923 15.862 1.00 25.00 C ATOM 298 O GLN A 17 -9.717 1.908 17.024 1.00 25.00 O ATOM 299 CB GLN A 17 -12.526 2.034 15.246 1.00 25.00 C ATOM 300 CG GLN A 17 -13.780 2.876 14.994 1.00 25.00 C ATOM 301 CD GLN A 17 -14.262 3.585 16.243 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.702 4.597 16.656 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.287 3.056 16.853 1.00 25.00 N ATOM 0 H GLN A 17 -11.283 3.113 13.369 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.402 3.578 16.235 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.384 1.356 14.405 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.690 1.417 16.129 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.569 3.614 14.220 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.575 2.234 14.615 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.725 2.214 16.478 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.650 3.484 17.705 1.00 25.00 H new ATOM 312 N ALA A 18 -9.547 1.166 14.921 1.00 25.00 N ATOM 313 CA ALA A 18 -8.500 0.188 15.237 1.00 25.00 C ATOM 314 C ALA A 18 -7.240 0.804 15.864 1.00 25.00 C ATOM 315 O ALA A 18 -6.689 0.234 16.801 1.00 25.00 O ATOM 316 CB ALA A 18 -8.129 -0.616 13.987 1.00 25.00 C ATOM 0 H ALA A 18 -9.802 1.207 13.934 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.924 -0.471 15.994 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.351 -1.338 14.236 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.009 -1.144 13.619 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.762 0.060 13.215 1.00 25.00 H new ATOM 322 N LEU A 19 -6.800 1.965 15.388 1.00 25.00 N ATOM 323 CA LEU A 19 -5.613 2.619 15.959 1.00 25.00 C ATOM 324 C LEU A 19 -5.854 2.897 17.449 1.00 25.00 C ATOM 325 O LEU A 19 -4.955 2.745 18.277 1.00 25.00 O ATOM 326 CB LEU A 19 -5.281 3.941 15.223 1.00 25.00 C ATOM 327 CG LEU A 19 -4.082 3.893 14.246 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.416 3.294 12.873 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.479 5.289 14.016 1.00 25.00 C ATOM 0 H LEU A 19 -7.237 2.472 14.618 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.762 1.949 15.837 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.164 4.255 14.667 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.084 4.710 15.970 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.364 3.237 14.739 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.523 3.296 12.248 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.768 2.270 12.999 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.194 3.889 12.396 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.640 5.213 13.325 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.238 5.948 13.595 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.131 5.696 14.965 1.00 25.00 H new ATOM 341 N LYS A 20 -7.083 3.261 17.797 1.00 25.00 N ATOM 342 CA LYS A 20 -7.427 3.541 19.193 1.00 25.00 C ATOM 343 C LYS A 20 -7.539 2.295 20.067 1.00 25.00 C ATOM 344 O LYS A 20 -7.348 2.393 21.268 1.00 25.00 O ATOM 345 CB LYS A 20 -8.750 4.310 19.292 1.00 25.00 C ATOM 346 CG LYS A 20 -8.719 5.698 18.652 1.00 25.00 C ATOM 347 CD LYS A 20 -9.885 6.579 19.151 1.00 25.00 C ATOM 348 CE LYS A 20 -11.269 6.078 18.704 1.00 25.00 C ATOM 349 NZ LYS A 20 -11.522 6.318 17.248 1.00 25.00 N ATOM 0 H LYS A 20 -7.855 3.370 17.140 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.597 4.140 19.567 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.535 3.721 18.818 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.019 4.413 20.343 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -7.771 6.184 18.881 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.773 5.601 17.568 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -9.857 6.622 20.240 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -9.742 7.597 18.788 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -11.351 5.011 18.913 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -12.040 6.578 19.291 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -12.367 5.790 16.951 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -11.673 7.334 17.085 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -10.701 5.997 16.696 1.00 25.00 H new ATOM 363 N THR A 21 -7.854 1.136 19.497 1.00 25.00 N ATOM 364 CA THR A 21 -8.062 -0.073 20.319 1.00 25.00 C ATOM 365 C THR A 21 -6.806 -0.509 21.068 1.00 25.00 C ATOM 366 O THR A 21 -6.897 -1.092 22.141 1.00 25.00 O ATOM 367 CB THR A 21 -8.560 -1.301 19.502 1.00 25.00 C ATOM 368 OG1 THR A 21 -7.598 -1.659 18.505 1.00 25.00 O ATOM 369 CG2 THR A 21 -9.887 -1.021 18.822 1.00 25.00 C ATOM 0 H THR A 21 -7.971 0.999 18.493 1.00 25.00 H new ATOM 0 HA THR A 21 -8.833 0.233 21.026 1.00 25.00 H new ATOM 0 HB THR A 21 -8.693 -2.122 20.206 1.00 25.00 H new ATOM 0 HG1 THR A 21 -7.301 -0.853 18.033 1.00 25.00 H new ATOM 0 HG21 THR A 21 -10.202 -1.901 18.262 1.00 25.00 H new ATOM 0 HG22 THR A 21 -10.638 -0.782 19.575 1.00 25.00 H new ATOM 0 HG23 THR A 21 -9.776 -0.178 18.140 1.00 25.00 H new ATOM 377 N ARG A 22 -5.634 -0.207 20.524 1.00 25.00 N ATOM 378 CA ARG A 22 -4.377 -0.570 21.187 1.00 25.00 C ATOM 379 C ARG A 22 -3.886 0.565 22.091 1.00 25.00 C ATOM 380 O ARG A 22 -2.904 0.419 22.809 1.00 25.00 O ATOM 381 CB ARG A 22 -3.318 -0.941 20.135 1.00 25.00 C ATOM 382 CG ARG A 22 -2.587 -2.270 20.418 1.00 25.00 C ATOM 383 CD ARG A 22 -1.667 -2.170 21.635 1.00 25.00 C ATOM 384 NE ARG A 22 -0.965 -3.428 21.909 1.00 25.00 N ATOM 385 CZ ARG A 22 -0.073 -3.618 22.871 1.00 25.00 C ATOM 386 NH1 ARG A 22 0.271 -2.663 23.704 1.00 25.00 N ATOM 387 NH2 ARG A 22 0.483 -4.787 22.998 1.00 25.00 N ATOM 0 H ARG A 22 -5.522 0.282 19.636 1.00 25.00 H new ATOM 0 HA ARG A 22 -4.554 -1.439 21.821 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -3.798 -1.004 19.158 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -2.582 -0.139 20.078 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -3.321 -3.059 20.582 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.002 -2.555 19.544 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -0.937 -1.378 21.471 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.254 -1.887 22.509 1.00 25.00 H new ATOM 0 HE ARG A 22 -1.181 -4.224 21.309 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -0.152 -1.738 23.623 1.00 25.00 H new ATOM 0 HH12 ARG A 22 0.961 -2.846 24.432 1.00 25.00 H new ATOM 0 HH21 ARG A 22 0.231 -5.543 22.362 1.00 25.00 H new ATOM 0 HH22 ARG A 22 1.171 -4.947 23.734 1.00 25.00 H new ATOM 401 N GLY A 23 -4.555 1.707 22.032 1.00 25.00 N ATOM 402 CA GLY A 23 -4.187 2.849 22.861 1.00 25.00 C ATOM 403 C GLY A 23 -2.902 3.539 22.438 1.00 25.00 C ATOM 404 O GLY A 23 -2.432 4.460 23.107 1.00 25.00 O ATOM 0 H GLY A 23 -5.355 1.869 21.420 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.000 3.575 22.840 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.084 2.516 23.894 1.00 25.00 H new ATOM 408 N VAL A 24 -2.310 3.090 21.341 1.00 25.00 N ATOM 409 CA VAL A 24 -1.039 3.637 20.878 1.00 25.00 C ATOM 410 C VAL A 24 -1.310 4.937 20.128 1.00 25.00 C ATOM 411 O VAL A 24 -1.850 4.948 19.023 1.00 25.00 O ATOM 412 CB VAL A 24 -0.275 2.611 19.992 1.00 25.00 C ATOM 413 CG1 VAL A 24 1.046 3.195 19.489 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.015 1.335 20.804 1.00 25.00 C ATOM 0 H VAL A 24 -2.688 2.347 20.753 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.397 3.846 21.734 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.903 2.373 19.133 1.00 25.00 H new ATOM 0 HG11 VAL A 24 1.559 2.457 18.873 1.00 25.00 H new ATOM 0 HG12 VAL A 24 0.847 4.088 18.896 1.00 25.00 H new ATOM 0 HG13 VAL A 24 1.675 3.458 20.340 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.550 0.620 20.179 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.625 1.587 21.671 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -0.925 0.894 21.137 1.00 25.00 H new ATOM 424 N LYS A 25 -0.973 6.043 20.774 1.00 25.00 N ATOM 425 CA LYS A 25 -1.236 7.375 20.231 1.00 25.00 C ATOM 426 C LYS A 25 -0.160 7.781 19.229 1.00 25.00 C ATOM 427 O LYS A 25 0.778 8.493 19.571 1.00 25.00 O ATOM 428 CB LYS A 25 -1.294 8.395 21.376 1.00 25.00 C ATOM 429 CG LYS A 25 -2.438 8.136 22.371 1.00 25.00 C ATOM 430 CD LYS A 25 -2.370 9.059 23.593 1.00 25.00 C ATOM 431 CE LYS A 25 -2.716 10.511 23.251 1.00 25.00 C ATOM 432 NZ LYS A 25 -2.664 11.380 24.482 1.00 25.00 N ATOM 0 H LYS A 25 -0.512 6.047 21.684 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.193 7.352 19.711 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.346 8.381 21.913 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.407 9.395 20.956 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -3.394 8.276 21.866 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -2.401 7.098 22.701 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -3.057 8.696 24.357 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -1.368 9.018 24.020 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -2.018 10.889 22.504 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -3.712 10.558 22.810 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -2.902 12.359 24.226 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -3.347 11.030 25.183 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -1.707 11.351 24.887 1.00 25.00 H new ATOM 446 N VAL A 26 -0.329 7.355 17.988 1.00 25.00 N ATOM 447 CA VAL A 26 0.578 7.719 16.896 1.00 25.00 C ATOM 448 C VAL A 26 -0.246 8.300 15.761 1.00 25.00 C ATOM 449 O VAL A 26 -1.458 8.095 15.685 1.00 25.00 O ATOM 450 CB VAL A 26 1.398 6.495 16.372 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.437 6.071 17.414 1.00 25.00 C ATOM 452 CG2 VAL A 26 0.474 5.315 16.021 1.00 25.00 C ATOM 0 H VAL A 26 -1.097 6.747 17.703 1.00 25.00 H new ATOM 0 HA VAL A 26 1.294 8.448 17.275 1.00 25.00 H new ATOM 0 HB VAL A 26 1.914 6.797 15.461 1.00 25.00 H new ATOM 0 HG11 VAL A 26 3.002 5.218 17.038 1.00 25.00 H new ATOM 0 HG12 VAL A 26 3.118 6.900 17.608 1.00 25.00 H new ATOM 0 HG13 VAL A 26 1.932 5.793 18.339 1.00 25.00 H new ATOM 0 HG21 VAL A 26 1.073 4.479 15.660 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.078 5.009 16.909 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -0.228 5.621 15.245 1.00 25.00 H new ATOM 462 N LYS A 27 0.411 9.045 14.885 1.00 25.00 N ATOM 463 CA LYS A 27 -0.258 9.649 13.739 1.00 25.00 C ATOM 464 C LYS A 27 -0.549 8.538 12.738 1.00 25.00 C ATOM 465 O LYS A 27 0.225 7.602 12.612 1.00 25.00 O ATOM 466 CB LYS A 27 0.663 10.717 13.137 1.00 25.00 C ATOM 467 CG LYS A 27 0.031 11.630 12.097 1.00 25.00 C ATOM 468 CD LYS A 27 0.902 12.881 11.834 1.00 25.00 C ATOM 469 CE LYS A 27 2.258 12.559 11.169 1.00 25.00 C ATOM 470 NZ LYS A 27 3.421 12.552 12.135 1.00 25.00 N ATOM 0 H LYS A 27 1.409 9.247 14.945 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.194 10.131 14.023 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.049 11.335 13.948 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.518 10.217 12.682 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.108 11.081 11.166 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.958 11.939 12.436 1.00 25.00 H new ATOM 0 HD2 LYS A 27 0.349 13.572 11.197 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.082 13.394 12.779 1.00 25.00 H new ATOM 0 HE2 LYS A 27 2.193 11.585 10.685 1.00 25.00 H new ATOM 0 HE3 LYS A 27 2.452 13.292 10.386 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 4.304 12.380 11.614 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 3.477 13.472 12.617 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 3.282 11.800 12.840 1.00 25.00 H new ATOM 484 N PHE A 28 -1.639 8.661 11.999 1.00 25.00 N ATOM 485 CA PHE A 28 -1.990 7.682 10.969 1.00 25.00 C ATOM 486 C PHE A 28 -0.869 7.506 9.966 1.00 25.00 C ATOM 487 O PHE A 28 -0.477 6.392 9.672 1.00 25.00 O ATOM 488 CB PHE A 28 -3.225 8.188 10.212 1.00 25.00 C ATOM 489 CG PHE A 28 -4.447 7.349 10.397 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.237 7.476 11.554 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.843 6.451 9.392 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.416 6.713 11.705 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.013 5.685 9.534 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.804 5.821 10.687 1.00 25.00 C ATOM 0 H PHE A 28 -2.302 9.431 12.090 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.180 6.727 11.458 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.444 9.205 10.537 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.990 8.237 9.149 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.940 8.162 12.333 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.242 6.348 8.501 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -7.017 6.813 12.597 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.304 4.993 8.758 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.709 5.242 10.793 1.00 25.00 H new ATOM 504 N ALA A 29 -0.334 8.615 9.472 1.00 25.00 N ATOM 505 CA ALA A 29 0.752 8.571 8.502 1.00 25.00 C ATOM 506 C ALA A 29 1.954 7.812 9.063 1.00 25.00 C ATOM 507 O ALA A 29 2.627 7.091 8.345 1.00 25.00 O ATOM 508 CB ALA A 29 1.163 9.991 8.132 1.00 25.00 C ATOM 0 H ALA A 29 -0.634 9.556 9.727 1.00 25.00 H new ATOM 0 HA ALA A 29 0.402 8.047 7.612 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.976 9.957 7.406 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.311 10.515 7.699 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.497 10.518 9.026 1.00 25.00 H new ATOM 514 N ASP A 30 2.213 7.988 10.349 1.00 25.00 N ATOM 515 CA ASP A 30 3.361 7.353 10.987 1.00 25.00 C ATOM 516 C ASP A 30 3.120 5.856 11.088 1.00 25.00 C ATOM 517 O ASP A 30 4.044 5.072 10.949 1.00 25.00 O ATOM 518 CB ASP A 30 3.598 7.918 12.392 1.00 25.00 C ATOM 519 CG ASP A 30 3.982 9.387 12.383 1.00 25.00 C ATOM 520 OD1 ASP A 30 4.320 9.933 11.310 1.00 25.00 O ATOM 521 OD2 ASP A 30 3.825 10.041 13.439 1.00 25.00 O ATOM 0 H ASP A 30 1.647 8.563 10.972 1.00 25.00 H new ATOM 0 HA ASP A 30 4.243 7.555 10.379 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.694 7.788 12.987 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.386 7.345 12.880 1.00 25.00 H new ATOM 526 N LEU A 31 1.875 5.448 11.316 1.00 25.00 N ATOM 527 CA LEU A 31 1.576 4.024 11.412 1.00 25.00 C ATOM 528 C LEU A 31 1.586 3.362 10.045 1.00 25.00 C ATOM 529 O LEU A 31 2.296 2.382 9.816 1.00 25.00 O ATOM 530 CB LEU A 31 0.241 3.754 12.105 1.00 25.00 C ATOM 531 CG LEU A 31 0.408 2.634 13.165 1.00 25.00 C ATOM 532 CD1 LEU A 31 -0.880 2.373 13.883 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.899 1.326 12.568 1.00 25.00 C ATOM 0 H LEU A 31 1.074 6.068 11.435 1.00 25.00 H new ATOM 0 HA LEU A 31 2.366 3.589 12.024 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.121 4.665 12.581 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.507 3.460 11.369 1.00 25.00 H new ATOM 0 HG LEU A 31 1.161 3.000 13.863 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -0.732 1.583 14.620 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.207 3.283 14.387 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -1.640 2.063 13.166 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.997 0.580 13.357 1.00 25.00 H new ATOM 0 HD22 LEU A 31 0.185 0.975 11.823 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.868 1.483 12.095 1.00 25.00 H new ATOM 545 N LEU A 32 0.815 3.913 9.122 1.00 25.00 N ATOM 546 CA LEU A 32 0.771 3.379 7.755 1.00 25.00 C ATOM 547 C LEU A 32 2.124 3.428 7.053 1.00 25.00 C ATOM 548 O LEU A 32 2.362 2.665 6.132 1.00 25.00 O ATOM 549 CB LEU A 32 -0.248 4.118 6.890 1.00 25.00 C ATOM 550 CG LEU A 32 -1.723 3.691 6.979 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.939 2.182 6.877 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.346 4.222 8.212 1.00 25.00 C ATOM 0 H LEU A 32 0.214 4.721 9.283 1.00 25.00 H new ATOM 0 HA LEU A 32 0.475 2.336 7.868 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.192 5.177 7.141 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.065 4.020 5.850 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.212 4.124 6.106 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -3.004 1.961 6.948 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.557 1.824 5.921 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.410 1.683 7.689 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.389 3.909 8.256 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.815 3.838 9.083 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.294 5.311 8.206 1.00 25.00 H new ATOM 564 N LYS A 33 3.038 4.261 7.524 1.00 25.00 N ATOM 565 CA LYS A 33 4.416 4.238 7.002 1.00 25.00 C ATOM 566 C LYS A 33 5.009 2.831 7.122 1.00 25.00 C ATOM 567 O LYS A 33 5.701 2.357 6.230 1.00 25.00 O ATOM 568 CB LYS A 33 5.306 5.228 7.762 1.00 25.00 C ATOM 569 CG LYS A 33 6.760 5.191 7.318 1.00 25.00 C ATOM 570 CD LYS A 33 7.580 6.287 7.976 1.00 25.00 C ATOM 571 CE LYS A 33 9.058 6.172 7.588 1.00 25.00 C ATOM 572 NZ LYS A 33 9.278 6.327 6.102 1.00 25.00 N ATOM 0 H LYS A 33 2.867 4.953 8.253 1.00 25.00 H new ATOM 0 HA LYS A 33 4.379 4.529 5.952 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.916 6.237 7.624 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.253 5.009 8.828 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.190 4.220 7.562 1.00 25.00 H new ATOM 0 HG3 LYS A 33 6.812 5.299 6.235 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.196 7.263 7.678 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.478 6.222 9.059 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.630 6.933 8.118 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.441 5.204 7.910 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 10.298 6.377 5.905 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 8.869 5.511 5.604 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 8.818 7.200 5.772 1.00 25.00 H new ATOM 586 N PHE A 34 4.719 2.152 8.218 1.00 25.00 N ATOM 587 CA PHE A 34 5.236 0.804 8.440 1.00 25.00 C ATOM 588 C PHE A 34 4.435 -0.241 7.666 1.00 25.00 C ATOM 589 O PHE A 34 4.970 -1.279 7.288 1.00 25.00 O ATOM 590 CB PHE A 34 5.279 0.514 9.934 1.00 25.00 C ATOM 591 CG PHE A 34 6.366 1.275 10.638 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.133 2.577 11.103 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.647 0.711 10.795 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.158 3.323 11.724 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.687 1.447 11.416 1.00 25.00 C ATOM 596 CZ PHE A 34 8.438 2.758 11.880 1.00 25.00 C ATOM 0 H PHE A 34 4.129 2.508 8.970 1.00 25.00 H new ATOM 0 HA PHE A 34 6.254 0.746 8.054 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.316 0.768 10.378 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.429 -0.554 10.089 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.154 3.016 10.984 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.838 -0.291 10.439 1.00 25.00 H new ATOM 0 HE1 PHE A 34 6.961 4.324 12.078 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.666 1.007 11.534 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.227 3.325 12.353 1.00 25.00 H new ATOM 606 N PHE A 35 3.188 0.077 7.342 1.00 25.00 N ATOM 607 CA PHE A 35 2.387 -0.774 6.453 1.00 25.00 C ATOM 608 C PHE A 35 2.958 -0.655 5.035 1.00 25.00 C ATOM 609 O PHE A 35 2.749 -1.515 4.207 1.00 25.00 O ATOM 610 CB PHE A 35 0.914 -0.337 6.418 1.00 25.00 C ATOM 611 CG PHE A 35 0.094 -0.787 7.605 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.510 -0.549 8.931 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.138 -1.435 7.393 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.290 -0.964 10.020 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.938 -1.850 8.484 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.514 -1.607 9.794 1.00 25.00 C ATOM 0 H PHE A 35 2.706 0.912 7.676 1.00 25.00 H new ATOM 0 HA PHE A 35 2.431 -1.798 6.825 1.00 25.00 H new ATOM 0 HB2 PHE A 35 0.873 0.750 6.357 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.455 -0.725 5.509 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.447 -0.046 9.116 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.477 -1.618 6.384 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.044 -0.784 11.031 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.876 -2.354 8.305 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.128 -1.914 10.628 1.00 25.00 H new ATOM 626 N ASP A 36 3.669 0.425 4.754 1.00 25.00 N ATOM 627 CA ASP A 36 4.303 0.607 3.448 1.00 25.00 C ATOM 628 C ASP A 36 5.661 -0.091 3.411 1.00 25.00 C ATOM 629 O ASP A 36 6.066 -0.637 2.396 1.00 25.00 O ATOM 630 CB ASP A 36 4.479 2.097 3.159 1.00 25.00 C ATOM 631 CG ASP A 36 4.349 2.418 1.690 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.256 2.178 1.131 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.278 3.016 1.120 1.00 25.00 O ATOM 0 H ASP A 36 3.825 1.191 5.409 1.00 25.00 H new ATOM 0 HA ASP A 36 3.662 0.165 2.685 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.735 2.663 3.719 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.458 2.420 3.513 1.00 25.00 H new ATOM 638 N PHE A 37 6.346 -0.088 4.546 1.00 25.00 N ATOM 639 CA PHE A 37 7.685 -0.674 4.668 1.00 25.00 C ATOM 640 C PHE A 37 7.716 -2.175 4.369 1.00 25.00 C ATOM 641 O PHE A 37 8.670 -2.677 3.787 1.00 25.00 O ATOM 642 CB PHE A 37 8.219 -0.408 6.080 1.00 25.00 C ATOM 643 CG PHE A 37 9.642 -0.854 6.288 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.701 -0.214 5.613 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.936 -1.909 7.172 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.044 -0.625 5.817 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.275 -2.327 7.383 1.00 25.00 C ATOM 648 CZ PHE A 37 12.328 -1.683 6.704 1.00 25.00 C ATOM 0 H PHE A 37 5.994 0.320 5.412 1.00 25.00 H new ATOM 0 HA PHE A 37 8.319 -0.199 3.919 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.149 0.659 6.289 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.580 -0.917 6.801 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.488 0.598 4.933 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.133 -2.406 7.696 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.847 -0.128 5.293 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.487 -3.138 8.064 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.349 -1.999 6.862 1.00 25.00 H new ATOM 658 N VAL A 38 6.653 -2.890 4.712 1.00 25.00 N ATOM 659 CA VAL A 38 6.579 -4.325 4.409 1.00 25.00 C ATOM 660 C VAL A 38 6.630 -4.558 2.897 1.00 25.00 C ATOM 661 O VAL A 38 7.189 -5.542 2.444 1.00 25.00 O ATOM 662 CB VAL A 38 5.302 -5.000 5.046 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.144 -4.052 5.117 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.864 -6.273 4.284 1.00 25.00 C ATOM 0 H VAL A 38 5.837 -2.513 5.194 1.00 25.00 H new ATOM 0 HA VAL A 38 7.448 -4.801 4.862 1.00 25.00 H new ATOM 0 HB VAL A 38 5.596 -5.283 6.057 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.287 -4.557 5.562 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.415 -3.191 5.729 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.886 -3.716 4.112 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.982 -6.698 4.763 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.628 -6.016 3.251 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.673 -7.003 4.300 1.00 25.00 H new ATOM 674 N LYS A 39 6.088 -3.638 2.113 1.00 25.00 N ATOM 675 CA LYS A 39 6.069 -3.793 0.652 1.00 25.00 C ATOM 676 C LYS A 39 7.479 -3.811 0.057 1.00 25.00 C ATOM 677 O LYS A 39 7.721 -4.493 -0.933 1.00 25.00 O ATOM 678 CB LYS A 39 5.251 -2.661 0.025 1.00 25.00 C ATOM 679 CG LYS A 39 4.736 -2.961 -1.378 1.00 25.00 C ATOM 680 CD LYS A 39 3.923 -1.778 -1.905 1.00 25.00 C ATOM 681 CE LYS A 39 3.199 -2.110 -3.212 1.00 25.00 C ATOM 682 NZ LYS A 39 4.156 -2.377 -4.340 1.00 25.00 N ATOM 0 H LYS A 39 5.656 -2.779 2.454 1.00 25.00 H new ATOM 0 HA LYS A 39 5.608 -4.754 0.426 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.402 -2.441 0.672 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.865 -1.761 -0.011 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.574 -3.162 -2.046 1.00 25.00 H new ATOM 0 HG3 LYS A 39 4.118 -3.859 -1.362 1.00 25.00 H new ATOM 0 HD2 LYS A 39 3.193 -1.478 -1.153 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.585 -0.927 -2.064 1.00 25.00 H new ATOM 0 HE2 LYS A 39 2.564 -2.983 -3.062 1.00 25.00 H new ATOM 0 HE3 LYS A 39 2.543 -1.282 -3.482 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 3.621 -2.597 -5.204 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 4.745 -1.535 -4.502 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 4.765 -3.184 -4.095 1.00 25.00 H new ATOM 696 N ASP A 40 8.394 -3.074 0.673 1.00 25.00 N ATOM 697 CA ASP A 40 9.795 -3.020 0.225 1.00 25.00 C ATOM 698 C ASP A 40 10.493 -4.353 0.478 1.00 25.00 C ATOM 699 O ASP A 40 11.076 -4.945 -0.423 1.00 25.00 O ATOM 700 CB ASP A 40 10.539 -1.901 0.978 1.00 25.00 C ATOM 701 CG ASP A 40 12.063 -2.072 0.954 1.00 25.00 C ATOM 702 OD1 ASP A 40 12.710 -1.576 0.012 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.620 -2.615 1.941 1.00 25.00 O ATOM 0 H ASP A 40 8.197 -2.498 1.491 1.00 25.00 H new ATOM 0 HA ASP A 40 9.808 -2.815 -0.845 1.00 25.00 H new ATOM 0 HB2 ASP A 40 10.280 -0.939 0.536 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.198 -1.878 2.013 1.00 25.00 H new ATOM 708 N THR A 41 10.429 -4.822 1.714 1.00 25.00 N ATOM 709 CA THR A 41 11.132 -6.042 2.100 1.00 25.00 C ATOM 710 C THR A 41 10.445 -7.312 1.598 1.00 25.00 C ATOM 711 O THR A 41 11.079 -8.337 1.376 1.00 25.00 O ATOM 712 CB THR A 41 11.231 -6.109 3.629 1.00 25.00 C ATOM 713 OG1 THR A 41 11.341 -4.778 4.143 1.00 25.00 O ATOM 714 CG2 THR A 41 12.444 -6.890 4.066 1.00 25.00 C ATOM 0 H THR A 41 9.901 -4.381 2.467 1.00 25.00 H new ATOM 0 HA THR A 41 12.119 -5.998 1.640 1.00 25.00 H new ATOM 0 HB THR A 41 10.339 -6.607 4.009 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.419 -4.810 5.119 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.485 -6.919 5.155 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.381 -7.907 3.678 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.344 -6.410 3.681 1.00 25.00 H new ATOM 722 N CYS A 42 9.133 -7.245 1.447 1.00 25.00 N ATOM 723 CA CYS A 42 8.331 -8.393 1.033 1.00 25.00 C ATOM 724 C CYS A 42 7.498 -8.117 -0.217 1.00 25.00 C ATOM 725 O CYS A 42 6.278 -7.937 -0.125 1.00 25.00 O ATOM 726 CB CYS A 42 7.383 -8.787 2.163 1.00 25.00 C ATOM 727 SG CYS A 42 8.220 -9.112 3.700 1.00 25.00 S ATOM 0 H CYS A 42 8.591 -6.396 1.607 1.00 25.00 H new ATOM 0 HA CYS A 42 9.030 -9.196 0.800 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.657 -7.988 2.314 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.824 -9.674 1.867 1.00 25.00 H new ATOM 0 HG CYS A 42 9.365 -9.679 3.459 1.00 25.00 H new ATOM 733 N PRO A 43 8.114 -8.164 -1.411 1.00 25.00 N ATOM 734 CA PRO A 43 7.306 -7.949 -2.620 1.00 25.00 C ATOM 735 C PRO A 43 6.342 -9.108 -2.881 1.00 25.00 C ATOM 736 O PRO A 43 5.378 -8.989 -3.633 1.00 25.00 O ATOM 737 CB PRO A 43 8.365 -7.834 -3.718 1.00 25.00 C ATOM 738 CG PRO A 43 9.490 -8.681 -3.228 1.00 25.00 C ATOM 739 CD PRO A 43 9.528 -8.431 -1.742 1.00 25.00 C ATOM 0 HA PRO A 43 6.660 -7.074 -2.550 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.986 -8.190 -4.676 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.678 -6.800 -3.863 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.320 -9.735 -3.449 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.432 -8.404 -3.702 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.913 -9.293 -1.198 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.167 -7.584 -1.492 1.00 25.00 H new ATOM 747 N TRP A 44 6.587 -10.227 -2.216 1.00 25.00 N ATOM 748 CA TRP A 44 5.729 -11.399 -2.313 1.00 25.00 C ATOM 749 C TRP A 44 4.530 -11.339 -1.368 1.00 25.00 C ATOM 750 O TRP A 44 3.583 -12.093 -1.537 1.00 25.00 O ATOM 751 CB TRP A 44 6.552 -12.649 -2.030 1.00 25.00 C ATOM 752 CG TRP A 44 7.631 -12.387 -1.042 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.483 -12.120 0.271 1.00 25.00 C ATOM 754 CD2 TRP A 44 9.049 -12.338 -1.288 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.685 -11.918 0.886 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.680 -12.036 -0.045 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.853 -12.503 -2.435 1.00 25.00 C ATOM 758 CZ2 TRP A 44 11.074 -11.898 0.078 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.260 -12.369 -2.314 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.853 -12.064 -1.054 1.00 25.00 C ATOM 0 H TRP A 44 7.386 -10.348 -1.594 1.00 25.00 H new ATOM 0 HA TRP A 44 5.328 -11.427 -3.326 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.899 -13.437 -1.655 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.990 -13.014 -2.959 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.529 -12.072 0.775 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.819 -11.713 1.876 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.404 -12.728 -3.391 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.525 -11.668 1.032 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.887 -12.499 -3.184 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.926 -11.961 -0.982 1.00 25.00 H new ATOM 771 N PHE A 45 4.530 -10.435 -0.397 1.00 25.00 N ATOM 772 CA PHE A 45 3.384 -10.334 0.511 1.00 25.00 C ATOM 773 C PHE A 45 2.111 -9.886 -0.232 1.00 25.00 C ATOM 774 O PHE A 45 1.087 -10.572 -0.157 1.00 25.00 O ATOM 775 CB PHE A 45 3.683 -9.412 1.699 1.00 25.00 C ATOM 776 CG PHE A 45 2.564 -9.349 2.702 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.416 -10.362 3.668 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.636 -8.289 2.674 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.359 -10.317 4.608 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.568 -8.241 3.603 1.00 25.00 C ATOM 781 CZ PHE A 45 0.435 -9.255 4.574 1.00 25.00 C ATOM 0 H PHE A 45 5.287 -9.775 -0.216 1.00 25.00 H new ATOM 0 HA PHE A 45 3.201 -11.333 0.908 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.589 -9.756 2.198 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.885 -8.407 1.328 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.117 -11.183 3.692 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.740 -7.506 1.937 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.261 -11.096 5.350 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.143 -7.429 3.568 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.373 -9.217 5.289 1.00 25.00 H new ATOM 791 N PRO A 46 2.162 -8.775 -1.011 1.00 25.00 N ATOM 792 CA PRO A 46 0.906 -8.514 -1.724 1.00 25.00 C ATOM 793 C PRO A 46 0.623 -9.515 -2.848 1.00 25.00 C ATOM 794 O PRO A 46 -0.520 -9.685 -3.252 1.00 25.00 O ATOM 795 CB PRO A 46 1.116 -7.101 -2.277 1.00 25.00 C ATOM 796 CG PRO A 46 2.572 -7.012 -2.499 1.00 25.00 C ATOM 797 CD PRO A 46 3.168 -7.735 -1.321 1.00 25.00 C ATOM 0 HA PRO A 46 0.039 -8.612 -1.071 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.562 -6.949 -3.203 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.773 -6.343 -1.573 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.861 -7.479 -3.441 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.906 -5.975 -2.541 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.136 -8.173 -1.566 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.326 -7.065 -0.476 1.00 25.00 H new ATOM 805 N GLN A 47 1.656 -10.204 -3.322 1.00 25.00 N ATOM 806 CA GLN A 47 1.503 -11.199 -4.384 1.00 25.00 C ATOM 807 C GLN A 47 0.641 -12.378 -3.924 1.00 25.00 C ATOM 808 O GLN A 47 -0.174 -12.898 -4.688 1.00 25.00 O ATOM 809 CB GLN A 47 2.878 -11.723 -4.805 1.00 25.00 C ATOM 810 CG GLN A 47 2.856 -12.543 -6.076 1.00 25.00 C ATOM 811 CD GLN A 47 4.056 -13.452 -6.197 1.00 25.00 C ATOM 812 OE1 GLN A 47 3.935 -14.672 -6.094 1.00 25.00 O ATOM 813 NE2 GLN A 47 5.211 -12.882 -6.412 1.00 25.00 N ATOM 0 H GLN A 47 2.613 -10.093 -2.987 1.00 25.00 H new ATOM 0 HA GLN A 47 1.010 -10.714 -5.226 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.553 -10.878 -4.941 1.00 25.00 H new ATOM 0 HB3 GLN A 47 3.287 -12.331 -3.998 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.946 -13.142 -6.103 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.822 -11.874 -6.936 1.00 25.00 H new ATOM 0 HE21 GLN A 47 5.272 -11.867 -6.492 1.00 25.00 H new ATOM 0 HE22 GLN A 47 6.052 -13.452 -6.500 1.00 25.00 H new ATOM 822 N GLU A 48 0.818 -12.805 -2.677 1.00 25.00 N ATOM 823 CA GLU A 48 0.041 -13.927 -2.146 1.00 25.00 C ATOM 824 C GLU A 48 -1.432 -13.532 -2.002 1.00 25.00 C ATOM 825 O GLU A 48 -2.312 -14.393 -2.022 1.00 25.00 O ATOM 826 CB GLU A 48 0.608 -14.415 -0.797 1.00 25.00 C ATOM 827 CG GLU A 48 1.968 -15.134 -0.927 1.00 25.00 C ATOM 828 CD GLU A 48 2.379 -15.899 0.338 1.00 25.00 C ATOM 829 OE1 GLU A 48 2.174 -15.403 1.463 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.858 -17.049 0.210 1.00 25.00 O ATOM 0 H GLU A 48 1.484 -12.399 -2.020 1.00 25.00 H new ATOM 0 HA GLU A 48 0.115 -14.753 -2.853 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.719 -13.562 -0.128 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.110 -15.092 -0.333 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.923 -15.830 -1.765 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.737 -14.399 -1.164 1.00 25.00 H new ATOM 837 N GLY A 49 -1.698 -12.232 -1.887 1.00 25.00 N ATOM 838 CA GLY A 49 -3.068 -11.729 -1.826 1.00 25.00 C ATOM 839 C GLY A 49 -3.854 -12.271 -0.650 1.00 25.00 C ATOM 840 O GLY A 49 -5.080 -12.334 -0.693 1.00 25.00 O ATOM 0 H GLY A 49 -0.982 -11.508 -1.834 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.046 -10.641 -1.769 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.584 -11.989 -2.750 1.00 25.00 H new ATOM 844 N THR A 50 -3.138 -12.723 0.367 1.00 25.00 N ATOM 845 CA THR A 50 -3.735 -13.399 1.510 1.00 25.00 C ATOM 846 C THR A 50 -3.138 -12.801 2.769 1.00 25.00 C ATOM 847 O THR A 50 -1.916 -12.687 2.875 1.00 25.00 O ATOM 848 CB THR A 50 -3.404 -14.911 1.459 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.848 -15.465 0.217 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.072 -15.682 2.587 1.00 25.00 C ATOM 0 H THR A 50 -2.124 -12.632 0.424 1.00 25.00 H new ATOM 0 HA THR A 50 -4.818 -13.274 1.497 1.00 25.00 H new ATOM 0 HB THR A 50 -2.323 -15.003 1.564 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.308 -15.101 -0.515 1.00 25.00 H new ATOM 0 HG21 THR A 50 -3.811 -16.738 2.510 1.00 25.00 H new ATOM 0 HG22 THR A 50 -3.731 -15.292 3.546 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.154 -15.569 2.514 1.00 25.00 H new ATOM 858 N ILE A 51 -3.982 -12.406 3.710 1.00 25.00 N ATOM 859 CA ILE A 51 -3.526 -11.778 4.946 1.00 25.00 C ATOM 860 C ILE A 51 -4.071 -12.545 6.142 1.00 25.00 C ATOM 861 O ILE A 51 -5.263 -12.584 6.417 1.00 25.00 O ATOM 862 CB ILE A 51 -3.935 -10.281 5.003 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.305 -9.540 3.805 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.474 -9.623 6.340 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.721 -8.112 3.669 1.00 25.00 C ATOM 0 H ILE A 51 -4.994 -12.509 3.642 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.437 -11.813 4.974 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.022 -10.211 4.953 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.220 -9.581 3.899 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.566 -10.070 2.889 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.774 -8.575 6.352 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.936 -10.142 7.179 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.389 -9.691 6.424 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.230 -7.671 2.801 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -4.802 -8.059 3.540 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.435 -7.563 4.566 1.00 25.00 H new ATOM 877 N ASP A 52 -3.148 -13.171 6.846 1.00 25.00 N ATOM 878 CA ASP A 52 -3.433 -13.948 8.041 1.00 25.00 C ATOM 879 C ASP A 52 -2.153 -13.846 8.828 1.00 25.00 C ATOM 880 O ASP A 52 -1.142 -13.421 8.280 1.00 25.00 O ATOM 881 CB ASP A 52 -3.697 -15.412 7.703 1.00 25.00 C ATOM 882 CG ASP A 52 -3.865 -16.262 8.934 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.613 -15.867 9.844 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.071 -17.213 9.082 1.00 25.00 O ATOM 0 H ASP A 52 -2.158 -13.155 6.600 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.316 -13.586 8.568 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.595 -15.484 7.089 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.871 -15.799 7.107 1.00 25.00 H new ATOM 889 N ILE A 53 -2.156 -14.265 10.076 1.00 25.00 N ATOM 890 CA ILE A 53 -0.958 -14.220 10.891 1.00 25.00 C ATOM 891 C ILE A 53 0.126 -15.130 10.319 1.00 25.00 C ATOM 892 O ILE A 53 1.304 -14.821 10.408 1.00 25.00 O ATOM 893 CB ILE A 53 -1.312 -14.575 12.353 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.122 -14.327 13.303 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.815 -16.019 12.488 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.382 -12.883 13.334 1.00 25.00 C ATOM 0 H ILE A 53 -2.977 -14.642 10.550 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.551 -13.209 10.880 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.125 -13.910 12.646 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.414 -14.617 14.312 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.701 -14.978 13.010 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.052 -16.226 13.532 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.710 -16.151 11.880 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -1.041 -16.707 12.149 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.219 -12.804 14.028 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.710 -12.591 12.336 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.423 -12.224 13.659 1.00 25.00 H new ATOM 908 N LYS A 54 -0.264 -16.211 9.657 1.00 25.00 N ATOM 909 CA LYS A 54 0.714 -17.108 9.029 1.00 25.00 C ATOM 910 C LYS A 54 1.409 -16.406 7.860 1.00 25.00 C ATOM 911 O LYS A 54 2.575 -16.647 7.590 1.00 25.00 O ATOM 912 CB LYS A 54 0.019 -18.386 8.553 1.00 25.00 C ATOM 913 CG LYS A 54 -0.603 -19.192 9.705 1.00 25.00 C ATOM 914 CD LYS A 54 -1.436 -20.370 9.192 1.00 25.00 C ATOM 915 CE LYS A 54 -2.806 -20.439 9.892 1.00 25.00 C ATOM 916 NZ LYS A 54 -2.707 -20.567 11.390 1.00 25.00 N ATOM 0 H LYS A 54 -1.237 -16.491 9.538 1.00 25.00 H new ATOM 0 HA LYS A 54 1.472 -17.375 9.765 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.760 -18.125 7.837 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.740 -19.011 8.026 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.188 -19.563 10.357 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.232 -18.537 10.308 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.580 -20.274 8.116 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.894 -21.301 9.359 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -3.376 -19.542 9.648 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -3.364 -21.288 9.498 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -3.652 -20.744 11.786 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -2.077 -21.359 11.630 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -2.324 -19.686 11.789 1.00 25.00 H new ATOM 930 N ARG A 55 0.692 -15.512 7.195 1.00 25.00 N ATOM 931 CA ARG A 55 1.247 -14.742 6.074 1.00 25.00 C ATOM 932 C ARG A 55 2.056 -13.563 6.613 1.00 25.00 C ATOM 933 O ARG A 55 3.122 -13.249 6.115 1.00 25.00 O ATOM 934 CB ARG A 55 0.112 -14.219 5.178 1.00 25.00 C ATOM 935 CG ARG A 55 -0.851 -15.302 4.645 1.00 25.00 C ATOM 936 CD ARG A 55 -0.265 -16.065 3.461 1.00 25.00 C ATOM 937 NE ARG A 55 -1.153 -17.129 2.948 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.846 -17.972 1.963 1.00 25.00 C ATOM 939 NH1 ARG A 55 0.301 -17.937 1.346 1.00 25.00 N ATOM 940 NH2 ARG A 55 -1.711 -18.876 1.591 1.00 25.00 N ATOM 0 H ARG A 55 -0.282 -15.296 7.408 1.00 25.00 H new ATOM 0 HA ARG A 55 1.895 -15.391 5.485 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.466 -13.485 5.740 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.552 -13.695 4.329 1.00 25.00 H new ATOM 0 HG2 ARG A 55 -1.085 -16.003 5.446 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -1.789 -14.835 4.345 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.051 -15.362 2.656 1.00 25.00 H new ATOM 0 HD3 ARG A 55 0.685 -16.508 3.759 1.00 25.00 H new ATOM 0 HE ARG A 55 -2.071 -17.225 3.381 1.00 25.00 H new ATOM 0 HH11 ARG A 55 1.003 -17.246 1.612 1.00 25.00 H new ATOM 0 HH12 ARG A 55 0.497 -18.600 0.597 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -2.618 -18.935 2.054 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -1.480 -19.523 0.837 1.00 25.00 H new ATOM 954 N TRP A 56 1.548 -12.933 7.662 1.00 25.00 N ATOM 955 CA TRP A 56 2.208 -11.786 8.292 1.00 25.00 C ATOM 956 C TRP A 56 3.511 -12.193 8.972 1.00 25.00 C ATOM 957 O TRP A 56 4.442 -11.404 9.074 1.00 25.00 O ATOM 958 CB TRP A 56 1.262 -11.152 9.312 1.00 25.00 C ATOM 959 CG TRP A 56 1.755 -9.842 9.864 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.064 -9.557 11.153 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.997 -8.618 9.137 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.469 -8.263 11.303 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.451 -7.650 10.082 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.886 -8.242 7.783 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.802 -6.337 9.708 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.240 -6.922 7.403 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.695 -5.983 8.376 1.00 25.00 C ATOM 0 H TRP A 56 0.668 -13.198 8.104 1.00 25.00 H new ATOM 0 HA TRP A 56 2.453 -11.063 7.514 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.290 -10.996 8.844 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.111 -11.849 10.136 1.00 25.00 H new ATOM 0 HD1 TRP A 56 1.998 -10.268 11.963 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.741 -7.825 12.183 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.536 -8.949 7.045 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.146 -5.625 10.444 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.164 -6.625 6.367 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.959 -4.982 8.068 1.00 25.00 H new ATOM 978 N ARG A 57 3.600 -13.449 9.388 1.00 25.00 N ATOM 979 CA ARG A 57 4.831 -13.973 9.977 1.00 25.00 C ATOM 980 C ARG A 57 5.986 -13.897 8.993 1.00 25.00 C ATOM 981 O ARG A 57 7.075 -13.512 9.384 1.00 25.00 O ATOM 982 CB ARG A 57 4.620 -15.403 10.464 1.00 25.00 C ATOM 983 CG ARG A 57 4.125 -15.450 11.907 1.00 25.00 C ATOM 984 CD ARG A 57 3.454 -16.777 12.225 1.00 25.00 C ATOM 985 NE ARG A 57 3.238 -16.951 13.674 1.00 25.00 N ATOM 986 CZ ARG A 57 4.135 -17.428 14.532 1.00 25.00 C ATOM 987 NH1 ARG A 57 5.345 -17.784 14.168 1.00 25.00 N ATOM 988 NH2 ARG A 57 3.804 -17.549 15.789 1.00 25.00 N ATOM 0 H ARG A 57 2.838 -14.125 9.330 1.00 25.00 H new ATOM 0 HA ARG A 57 5.089 -13.352 10.835 1.00 25.00 H new ATOM 0 HB2 ARG A 57 3.899 -15.903 9.817 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.557 -15.955 10.384 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.964 -15.294 12.585 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.421 -14.635 12.078 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.497 -16.834 11.706 1.00 25.00 H new ATOM 0 HD3 ARG A 57 4.069 -17.594 11.849 1.00 25.00 H new ATOM 0 HE ARG A 57 2.327 -16.684 14.048 1.00 25.00 H new ATOM 0 HH11 ARG A 57 5.630 -17.700 13.192 1.00 25.00 H new ATOM 0 HH12 ARG A 57 6.001 -18.145 14.861 1.00 25.00 H new ATOM 0 HH21 ARG A 57 2.870 -17.280 16.099 1.00 25.00 H new ATOM 0 HH22 ARG A 57 4.479 -17.913 16.461 1.00 25.00 H new ATOM 1002 N ARG A 58 5.716 -14.133 7.709 1.00 25.00 N ATOM 1003 CA ARG A 58 6.754 -14.008 6.670 1.00 25.00 C ATOM 1004 C ARG A 58 7.424 -12.652 6.718 1.00 25.00 C ATOM 1005 O ARG A 58 8.590 -12.526 6.418 1.00 25.00 O ATOM 1006 CB ARG A 58 6.179 -14.114 5.255 1.00 25.00 C ATOM 1007 CG ARG A 58 5.565 -15.431 4.836 1.00 25.00 C ATOM 1008 CD ARG A 58 5.411 -15.356 3.308 1.00 25.00 C ATOM 1009 NE ARG A 58 4.789 -16.525 2.668 1.00 25.00 N ATOM 1010 CZ ARG A 58 5.380 -17.696 2.457 1.00 25.00 C ATOM 1011 NH1 ARG A 58 6.589 -17.971 2.890 1.00 25.00 N ATOM 1012 NH2 ARG A 58 4.741 -18.605 1.782 1.00 25.00 N ATOM 0 H ARG A 58 4.798 -14.409 7.360 1.00 25.00 H new ATOM 0 HA ARG A 58 7.451 -14.820 6.875 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.419 -13.341 5.145 1.00 25.00 H new ATOM 0 HB3 ARG A 58 6.978 -13.879 4.551 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.201 -16.268 5.124 1.00 25.00 H new ATOM 0 HG3 ARG A 58 4.600 -15.583 5.319 1.00 25.00 H new ATOM 0 HD2 ARG A 58 4.818 -14.474 3.065 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.398 -15.208 2.869 1.00 25.00 H new ATOM 0 HE ARG A 58 3.821 -16.428 2.360 1.00 25.00 H new ATOM 0 HH11 ARG A 58 7.115 -17.271 3.413 1.00 25.00 H new ATOM 0 HH12 ARG A 58 7.002 -18.885 2.704 1.00 25.00 H new ATOM 0 HH21 ARG A 58 3.805 -18.412 1.426 1.00 25.00 H new ATOM 0 HH22 ARG A 58 5.176 -19.511 1.608 1.00 25.00 H new ATOM 1026 N VAL A 59 6.651 -11.628 7.029 1.00 25.00 N ATOM 1027 CA VAL A 59 7.144 -10.258 7.006 1.00 25.00 C ATOM 1028 C VAL A 59 8.138 -10.029 8.124 1.00 25.00 C ATOM 1029 O VAL A 59 9.162 -9.383 7.939 1.00 25.00 O ATOM 1030 CB VAL A 59 5.973 -9.267 7.160 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.454 -7.845 7.070 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.919 -9.545 6.099 1.00 25.00 C ATOM 0 H VAL A 59 5.672 -11.718 7.303 1.00 25.00 H new ATOM 0 HA VAL A 59 7.638 -10.094 6.049 1.00 25.00 H new ATOM 0 HB VAL A 59 5.529 -9.405 8.146 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.608 -7.167 7.182 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.178 -7.655 7.862 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.925 -7.681 6.101 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.094 -8.842 6.213 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.360 -9.430 5.109 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.547 -10.563 6.214 1.00 25.00 H new ATOM 1042 N GLY A 60 7.842 -10.587 9.284 1.00 25.00 N ATOM 1043 CA GLY A 60 8.729 -10.435 10.415 1.00 25.00 C ATOM 1044 C GLY A 60 9.995 -11.225 10.187 1.00 25.00 C ATOM 1045 O GLY A 60 11.089 -10.762 10.500 1.00 25.00 O ATOM 0 H GLY A 60 7.005 -11.142 9.463 1.00 25.00 H new ATOM 0 HA2 GLY A 60 8.969 -9.382 10.561 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.235 -10.778 11.324 1.00 25.00 H new ATOM 1049 N ASP A 61 9.842 -12.396 9.583 1.00 25.00 N ATOM 1050 CA ASP A 61 10.978 -13.250 9.246 1.00 25.00 C ATOM 1051 C ASP A 61 11.874 -12.492 8.257 1.00 25.00 C ATOM 1052 O ASP A 61 13.094 -12.481 8.376 1.00 25.00 O ATOM 1053 CB ASP A 61 10.494 -14.565 8.602 1.00 25.00 C ATOM 1054 CG ASP A 61 9.532 -15.358 9.498 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.626 -15.272 10.744 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.650 -16.059 8.936 1.00 25.00 O ATOM 0 H ASP A 61 8.936 -12.780 9.314 1.00 25.00 H new ATOM 0 HA ASP A 61 11.532 -13.496 10.152 1.00 25.00 H new ATOM 0 HB2 ASP A 61 9.998 -14.339 7.658 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.358 -15.187 8.367 1.00 25.00 H new ATOM 1061 N CYS A 62 11.241 -11.822 7.302 1.00 25.00 N ATOM 1062 CA CYS A 62 11.949 -11.039 6.289 1.00 25.00 C ATOM 1063 C CYS A 62 12.698 -9.856 6.883 1.00 25.00 C ATOM 1064 O CYS A 62 13.840 -9.595 6.516 1.00 25.00 O ATOM 1065 CB CYS A 62 10.956 -10.503 5.263 1.00 25.00 C ATOM 1066 SG CYS A 62 11.500 -10.701 3.564 1.00 25.00 S ATOM 0 H CYS A 62 10.226 -11.804 7.205 1.00 25.00 H new ATOM 0 HA CYS A 62 12.674 -11.709 5.826 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.002 -11.014 5.392 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.780 -9.445 5.458 1.00 25.00 H new ATOM 0 HG CYS A 62 11.219 -9.625 2.890 1.00 25.00 H new ATOM 1072 N PHE A 63 12.063 -9.130 7.798 1.00 25.00 N ATOM 1073 CA PHE A 63 12.728 -7.988 8.419 1.00 25.00 C ATOM 1074 C PHE A 63 13.935 -8.490 9.171 1.00 25.00 C ATOM 1075 O PHE A 63 14.962 -7.837 9.176 1.00 25.00 O ATOM 1076 CB PHE A 63 11.842 -7.255 9.431 1.00 25.00 C ATOM 1077 CG PHE A 63 10.649 -6.532 8.834 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.678 -5.995 7.527 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.492 -6.344 9.617 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.562 -5.289 7.009 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.379 -5.627 9.111 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.417 -5.104 7.804 1.00 25.00 C ATOM 0 H PHE A 63 11.111 -9.305 8.121 1.00 25.00 H new ATOM 0 HA PHE A 63 12.983 -7.294 7.618 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.481 -7.976 10.164 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.454 -6.531 9.970 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.559 -6.124 6.916 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.453 -6.752 10.616 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.592 -4.894 6.004 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.504 -5.482 9.727 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.569 -4.562 7.413 1.00 25.00 H new ATOM 1092 N GLN A 64 13.807 -9.640 9.819 1.00 25.00 N ATOM 1093 CA GLN A 64 14.905 -10.177 10.608 1.00 25.00 C ATOM 1094 C GLN A 64 16.066 -10.574 9.718 1.00 25.00 C ATOM 1095 O GLN A 64 17.205 -10.308 10.049 1.00 25.00 O ATOM 1096 CB GLN A 64 14.448 -11.380 11.440 1.00 25.00 C ATOM 1097 CG GLN A 64 15.508 -11.867 12.430 1.00 25.00 C ATOM 1098 CD GLN A 64 15.902 -10.795 13.429 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.077 -10.316 14.195 1.00 25.00 O ATOM 1100 NE2 GLN A 64 17.150 -10.405 13.416 1.00 25.00 N ATOM 0 H GLN A 64 12.963 -10.213 9.814 1.00 25.00 H new ATOM 0 HA GLN A 64 15.237 -9.392 11.287 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.545 -11.112 11.988 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.184 -12.198 10.769 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.129 -12.737 12.966 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.392 -12.191 11.881 1.00 25.00 H new ATOM 0 HE21 GLN A 64 17.810 -10.828 12.763 1.00 25.00 H new ATOM 0 HE22 GLN A 64 17.464 -9.678 14.059 1.00 25.00 H new ATOM 1109 N ASP A 65 15.792 -11.190 8.582 1.00 25.00 N ATOM 1110 CA ASP A 65 16.874 -11.622 7.702 1.00 25.00 C ATOM 1111 C ASP A 65 17.574 -10.428 7.060 1.00 25.00 C ATOM 1112 O ASP A 65 18.799 -10.377 6.963 1.00 25.00 O ATOM 1113 CB ASP A 65 16.339 -12.559 6.627 1.00 25.00 C ATOM 1114 CG ASP A 65 17.397 -13.524 6.123 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.316 -13.867 6.905 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.282 -13.982 4.967 1.00 25.00 O ATOM 0 H ASP A 65 14.852 -11.401 8.248 1.00 25.00 H new ATOM 0 HA ASP A 65 17.606 -12.157 8.307 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.497 -13.124 7.027 1.00 25.00 H new ATOM 0 HB3 ASP A 65 15.960 -11.971 5.791 1.00 25.00 H new ATOM 1121 N TYR A 66 16.803 -9.420 6.686 1.00 25.00 N ATOM 1122 CA TYR A 66 17.387 -8.207 6.128 1.00 25.00 C ATOM 1123 C TYR A 66 18.182 -7.478 7.219 1.00 25.00 C ATOM 1124 O TYR A 66 19.248 -6.916 6.962 1.00 25.00 O ATOM 1125 CB TYR A 66 16.297 -7.305 5.553 1.00 25.00 C ATOM 1126 CG TYR A 66 16.722 -6.594 4.286 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.773 -5.654 4.293 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.087 -6.878 3.058 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.181 -5.013 3.094 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.487 -6.226 1.861 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.530 -5.301 1.894 1.00 25.00 C ATOM 1132 OH TYR A 66 17.921 -4.662 0.746 1.00 25.00 O ATOM 0 H TYR A 66 15.785 -9.414 6.756 1.00 25.00 H new ATOM 0 HA TYR A 66 18.063 -8.472 5.315 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.410 -7.904 5.346 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.015 -6.564 6.301 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.273 -5.419 5.221 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.286 -7.601 3.028 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.995 -4.303 3.111 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.986 -6.446 0.930 1.00 25.00 H new ATOM 0 HH TYR A 66 17.372 -4.972 -0.004 1.00 25.00 H new ATOM 1142 N PHE A 67 17.692 -7.541 8.451 1.00 25.00 N ATOM 1143 CA PHE A 67 18.405 -6.965 9.597 1.00 25.00 C ATOM 1144 C PHE A 67 19.694 -7.744 9.876 1.00 25.00 C ATOM 1145 O PHE A 67 20.696 -7.161 10.252 1.00 25.00 O ATOM 1146 CB PHE A 67 17.497 -6.991 10.830 1.00 25.00 C ATOM 1147 CG PHE A 67 18.102 -6.369 12.055 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.897 -7.137 12.927 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.853 -5.020 12.366 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.448 -6.563 14.097 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.388 -4.440 13.538 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.193 -5.212 14.402 1.00 25.00 C ATOM 0 H PHE A 67 16.804 -7.984 8.688 1.00 25.00 H new ATOM 0 HA PHE A 67 18.671 -5.934 9.365 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.568 -6.472 10.594 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.236 -8.026 11.053 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.088 -8.175 12.700 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.247 -4.422 11.702 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.063 -7.160 14.755 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.181 -3.406 13.772 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.612 -4.769 15.293 1.00 25.00 H new ATOM 1162 N ASN A 68 19.691 -9.050 9.651 1.00 25.00 N ATOM 1163 CA ASN A 68 20.900 -9.853 9.850 1.00 25.00 C ATOM 1164 C ASN A 68 21.952 -9.443 8.823 1.00 25.00 C ATOM 1165 O ASN A 68 23.147 -9.503 9.085 1.00 25.00 O ATOM 1166 CB ASN A 68 20.619 -11.356 9.673 1.00 25.00 C ATOM 1167 CG ASN A 68 19.678 -11.914 10.713 1.00 25.00 C ATOM 1168 OD1 ASN A 68 19.578 -11.415 11.830 1.00 25.00 O ATOM 1169 ND2 ASN A 68 18.994 -12.969 10.357 1.00 25.00 N ATOM 0 H ASN A 68 18.877 -9.576 9.334 1.00 25.00 H new ATOM 0 HA ASN A 68 21.251 -9.677 10.867 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.197 -11.525 8.683 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.561 -11.902 9.715 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.350 -13.406 11.017 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.104 -13.355 9.419 1.00 25.00 H new ATOM 1176 N THR A 69 21.491 -9.051 7.644 1.00 25.00 N ATOM 1177 CA THR A 69 22.384 -8.705 6.539 1.00 25.00 C ATOM 1178 C THR A 69 22.954 -7.280 6.630 1.00 25.00 C ATOM 1179 O THR A 69 24.133 -7.067 6.363 1.00 25.00 O ATOM 1180 CB THR A 69 21.637 -8.857 5.186 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.986 -10.131 5.140 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.596 -8.799 4.008 1.00 25.00 C ATOM 0 H THR A 69 20.499 -8.963 7.424 1.00 25.00 H new ATOM 0 HA THR A 69 23.225 -9.396 6.605 1.00 25.00 H new ATOM 0 HB THR A 69 20.922 -8.037 5.116 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.222 -10.130 5.753 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.038 -8.909 3.078 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.115 -7.841 4.008 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.324 -9.606 4.091 1.00 25.00 H new ATOM 1190 N PHE A 70 22.117 -6.301 6.969 1.00 25.00 N ATOM 1191 CA PHE A 70 22.540 -4.888 6.960 1.00 25.00 C ATOM 1192 C PHE A 70 22.373 -4.141 8.290 1.00 25.00 C ATOM 1193 O PHE A 70 22.618 -2.937 8.372 1.00 25.00 O ATOM 1194 CB PHE A 70 21.786 -4.138 5.865 1.00 25.00 C ATOM 1195 CG PHE A 70 22.242 -4.484 4.477 1.00 25.00 C ATOM 1196 CD1 PHE A 70 23.412 -3.903 3.954 1.00 25.00 C ATOM 1197 CD2 PHE A 70 21.511 -5.381 3.681 1.00 25.00 C ATOM 1198 CE1 PHE A 70 23.854 -4.213 2.644 1.00 25.00 C ATOM 1199 CE2 PHE A 70 21.934 -5.694 2.365 1.00 25.00 C ATOM 1200 CZ PHE A 70 23.109 -5.106 1.847 1.00 25.00 C ATOM 0 H PHE A 70 21.149 -6.451 7.252 1.00 25.00 H new ATOM 0 HA PHE A 70 23.613 -4.912 6.772 1.00 25.00 H new ATOM 0 HB2 PHE A 70 20.722 -4.356 5.954 1.00 25.00 H new ATOM 0 HB3 PHE A 70 21.906 -3.066 6.021 1.00 25.00 H new ATOM 0 HD1 PHE A 70 23.980 -3.212 4.559 1.00 25.00 H new ATOM 0 HD2 PHE A 70 20.616 -5.838 4.076 1.00 25.00 H new ATOM 0 HE1 PHE A 70 24.758 -3.767 2.257 1.00 25.00 H new ATOM 0 HE2 PHE A 70 21.360 -6.380 1.760 1.00 25.00 H new ATOM 0 HZ PHE A 70 23.436 -5.339 0.844 1.00 25.00 H new ATOM 1210 N GLY A 71 21.984 -4.845 9.337 1.00 25.00 N ATOM 1211 CA GLY A 71 21.913 -4.234 10.653 1.00 25.00 C ATOM 1212 C GLY A 71 20.804 -3.211 10.856 1.00 25.00 C ATOM 1213 O GLY A 71 19.903 -3.063 10.011 1.00 25.00 O ATOM 0 H GLY A 71 21.715 -5.828 9.305 1.00 25.00 H new ATOM 0 HA2 GLY A 71 21.790 -5.025 11.393 1.00 25.00 H new ATOM 0 HA3 GLY A 71 22.868 -3.751 10.859 1.00 25.00 H new ATOM 1217 N PRO A 72 20.855 -2.464 11.981 1.00 25.00 N ATOM 1218 CA PRO A 72 19.864 -1.433 12.324 1.00 25.00 C ATOM 1219 C PRO A 72 19.764 -0.272 11.340 1.00 25.00 C ATOM 1220 O PRO A 72 18.820 0.514 11.394 1.00 25.00 O ATOM 1221 CB PRO A 72 20.370 -0.897 13.670 1.00 25.00 C ATOM 1222 CG PRO A 72 21.209 -1.970 14.219 1.00 25.00 C ATOM 1223 CD PRO A 72 21.885 -2.569 13.033 1.00 25.00 C ATOM 0 HA PRO A 72 18.865 -1.869 12.325 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.941 0.022 13.539 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.541 -0.664 14.338 1.00 25.00 H new ATOM 0 HG2 PRO A 72 21.935 -1.579 14.932 1.00 25.00 H new ATOM 0 HG3 PRO A 72 20.609 -2.710 14.748 1.00 25.00 H new ATOM 0 HD2 PRO A 72 22.792 -2.025 12.767 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.175 -3.604 13.213 1.00 25.00 H new ATOM 1231 N GLU A 73 20.770 -0.127 10.490 1.00 25.00 N ATOM 1232 CA GLU A 73 20.837 1.000 9.568 1.00 25.00 C ATOM 1233 C GLU A 73 19.861 0.861 8.404 1.00 25.00 C ATOM 1234 O GLU A 73 19.271 1.848 7.969 1.00 25.00 O ATOM 1235 CB GLU A 73 22.270 1.154 9.057 1.00 25.00 C ATOM 1236 CG GLU A 73 23.251 1.484 10.186 1.00 25.00 C ATOM 1237 CD GLU A 73 24.670 1.710 9.691 1.00 25.00 C ATOM 1238 OE1 GLU A 73 24.880 2.620 8.863 1.00 25.00 O ATOM 1239 OE2 GLU A 73 25.580 0.995 10.164 1.00 25.00 O ATOM 0 H GLU A 73 21.553 -0.777 10.419 1.00 25.00 H new ATOM 0 HA GLU A 73 20.542 1.896 10.114 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.580 0.232 8.565 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.304 1.943 8.306 1.00 25.00 H new ATOM 0 HG2 GLU A 73 22.908 2.377 10.709 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.250 0.670 10.911 1.00 25.00 H new ATOM 1246 N LYS A 74 19.652 -0.357 7.918 1.00 25.00 N ATOM 1247 CA LYS A 74 18.699 -0.564 6.820 1.00 25.00 C ATOM 1248 C LYS A 74 17.317 -0.872 7.367 1.00 25.00 C ATOM 1249 O LYS A 74 16.328 -0.307 6.900 1.00 25.00 O ATOM 1250 CB LYS A 74 19.184 -1.668 5.881 1.00 25.00 C ATOM 1251 CG LYS A 74 18.739 -1.510 4.397 1.00 25.00 C ATOM 1252 CD LYS A 74 17.245 -1.829 4.147 1.00 25.00 C ATOM 1253 CE LYS A 74 16.899 -1.769 2.651 1.00 25.00 C ATOM 1254 NZ LYS A 74 15.453 -2.138 2.381 1.00 25.00 N ATOM 0 H LYS A 74 20.115 -1.202 8.253 1.00 25.00 H new ATOM 0 HA LYS A 74 18.633 0.357 6.240 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.273 -1.703 5.917 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.822 -2.626 6.253 1.00 25.00 H new ATOM 0 HG2 LYS A 74 18.940 -0.488 4.076 1.00 25.00 H new ATOM 0 HG3 LYS A 74 19.348 -2.165 3.775 1.00 25.00 H new ATOM 0 HD2 LYS A 74 17.014 -2.821 4.536 1.00 25.00 H new ATOM 0 HD3 LYS A 74 16.624 -1.120 4.694 1.00 25.00 H new ATOM 0 HE2 LYS A 74 17.092 -0.764 2.276 1.00 25.00 H new ATOM 0 HE3 LYS A 74 17.553 -2.446 2.101 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 15.266 -2.084 1.359 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 15.274 -3.107 2.715 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 14.826 -1.477 2.883 1.00 25.00 H new ATOM 1268 N VAL A 75 17.227 -1.720 8.381 1.00 25.00 N ATOM 1269 CA VAL A 75 15.932 -1.951 9.013 1.00 25.00 C ATOM 1270 C VAL A 75 16.060 -1.418 10.430 1.00 25.00 C ATOM 1271 O VAL A 75 16.946 -1.831 11.164 1.00 25.00 O ATOM 1272 CB VAL A 75 15.615 -3.482 9.063 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.267 -3.754 9.753 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.597 -4.071 7.649 1.00 25.00 C ATOM 0 H VAL A 75 18.007 -2.246 8.776 1.00 25.00 H new ATOM 0 HA VAL A 75 15.131 -1.462 8.459 1.00 25.00 H new ATOM 0 HB VAL A 75 16.402 -3.962 9.645 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.077 -4.827 9.771 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.298 -3.374 10.774 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.470 -3.254 9.204 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.375 -5.137 7.702 1.00 25.00 H new ATOM 0 HG22 VAL A 75 14.832 -3.570 7.056 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.571 -3.926 7.182 1.00 25.00 H new ATOM 1284 N PRO A 76 15.100 -0.597 10.882 1.00 25.00 N ATOM 1285 CA PRO A 76 15.244 -0.150 12.267 1.00 25.00 C ATOM 1286 C PRO A 76 14.695 -1.167 13.250 1.00 25.00 C ATOM 1287 O PRO A 76 13.776 -1.916 12.935 1.00 25.00 O ATOM 1288 CB PRO A 76 14.422 1.133 12.290 1.00 25.00 C ATOM 1289 CG PRO A 76 13.335 0.891 11.308 1.00 25.00 C ATOM 1290 CD PRO A 76 13.950 0.045 10.213 1.00 25.00 C ATOM 0 HA PRO A 76 16.284 -0.011 12.562 1.00 25.00 H new ATOM 0 HB2 PRO A 76 14.022 1.331 13.285 1.00 25.00 H new ATOM 0 HB3 PRO A 76 15.025 1.997 12.011 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.494 0.377 11.774 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.953 1.830 10.908 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.244 -0.693 9.831 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.266 0.653 9.365 1.00 25.00 H new ATOM 1298 N VAL A 77 15.180 -1.139 14.480 1.00 25.00 N ATOM 1299 CA VAL A 77 14.656 -2.036 15.508 1.00 25.00 C ATOM 1300 C VAL A 77 13.188 -1.710 15.824 1.00 25.00 C ATOM 1301 O VAL A 77 12.430 -2.567 16.274 1.00 25.00 O ATOM 1302 CB VAL A 77 15.520 -1.992 16.799 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.934 -2.519 16.506 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.607 -0.562 17.369 1.00 25.00 C ATOM 0 H VAL A 77 15.925 -0.516 14.793 1.00 25.00 H new ATOM 0 HA VAL A 77 14.705 -3.051 15.113 1.00 25.00 H new ATOM 0 HB VAL A 77 15.040 -2.627 17.543 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.531 -2.484 17.417 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.873 -3.548 16.152 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.402 -1.899 15.741 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.218 -0.567 18.271 1.00 25.00 H new ATOM 0 HG22 VAL A 77 16.058 0.098 16.628 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.606 -0.205 17.611 1.00 25.00 H new ATOM 1314 N THR A 78 12.755 -0.490 15.519 1.00 25.00 N ATOM 1315 CA THR A 78 11.357 -0.121 15.740 1.00 25.00 C ATOM 1316 C THR A 78 10.444 -0.773 14.714 1.00 25.00 C ATOM 1317 O THR A 78 9.259 -0.924 14.965 1.00 25.00 O ATOM 1318 CB THR A 78 11.132 1.419 15.728 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.901 1.731 16.385 1.00 25.00 O ATOM 1320 CG2 THR A 78 11.074 1.996 14.331 1.00 25.00 C ATOM 0 H THR A 78 13.338 0.249 15.125 1.00 25.00 H new ATOM 0 HA THR A 78 11.106 -0.489 16.735 1.00 25.00 H new ATOM 0 HB THR A 78 11.985 1.860 16.244 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.224 1.965 15.717 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.915 3.073 14.388 1.00 25.00 H new ATOM 0 HG22 THR A 78 12.013 1.794 13.815 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.252 1.537 13.782 1.00 25.00 H new ATOM 1328 N ALA A 79 10.980 -1.210 13.581 1.00 25.00 N ATOM 1329 CA ALA A 79 10.144 -1.855 12.578 1.00 25.00 C ATOM 1330 C ALA A 79 9.577 -3.144 13.154 1.00 25.00 C ATOM 1331 O ALA A 79 8.432 -3.472 12.913 1.00 25.00 O ATOM 1332 CB ALA A 79 10.934 -2.131 11.315 1.00 25.00 C ATOM 0 H ALA A 79 11.967 -1.132 13.337 1.00 25.00 H new ATOM 0 HA ALA A 79 9.323 -1.189 12.313 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.289 -2.613 10.580 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.309 -1.192 10.908 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.773 -2.787 11.547 1.00 25.00 H new ATOM 1338 N PHE A 80 10.363 -3.839 13.962 1.00 25.00 N ATOM 1339 CA PHE A 80 9.900 -5.066 14.610 1.00 25.00 C ATOM 1340 C PHE A 80 8.859 -4.751 15.676 1.00 25.00 C ATOM 1341 O PHE A 80 7.926 -5.512 15.896 1.00 25.00 O ATOM 1342 CB PHE A 80 11.073 -5.787 15.267 1.00 25.00 C ATOM 1343 CG PHE A 80 12.144 -6.186 14.303 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.097 -7.436 13.667 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.213 -5.313 14.020 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.099 -7.817 12.759 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.219 -5.678 13.104 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.160 -6.936 12.470 1.00 25.00 C ATOM 0 H PHE A 80 11.323 -3.579 14.187 1.00 25.00 H new ATOM 0 HA PHE A 80 9.454 -5.703 13.846 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.505 -5.140 16.030 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.703 -6.677 15.776 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.282 -8.112 13.878 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.262 -4.352 14.511 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.056 -8.785 12.282 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.030 -4.999 12.889 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.926 -7.224 11.765 1.00 25.00 H new ATOM 1358 N SER A 81 9.018 -3.617 16.334 1.00 25.00 N ATOM 1359 CA SER A 81 8.091 -3.209 17.391 1.00 25.00 C ATOM 1360 C SER A 81 6.751 -2.863 16.763 1.00 25.00 C ATOM 1361 O SER A 81 5.697 -3.281 17.237 1.00 25.00 O ATOM 1362 CB SER A 81 8.638 -1.999 18.153 1.00 25.00 C ATOM 1363 OG SER A 81 7.796 -1.663 19.243 1.00 25.00 O ATOM 0 H SER A 81 9.777 -2.958 16.160 1.00 25.00 H new ATOM 0 HA SER A 81 7.970 -4.029 18.098 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.642 -2.218 18.518 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.723 -1.147 17.478 1.00 25.00 H new ATOM 0 HG SER A 81 8.166 -0.888 19.716 1.00 25.00 H new ATOM 1369 N TYR A 82 6.803 -2.131 15.663 1.00 25.00 N ATOM 1370 CA TYR A 82 5.609 -1.777 14.915 1.00 25.00 C ATOM 1371 C TYR A 82 4.976 -3.034 14.353 1.00 25.00 C ATOM 1372 O TYR A 82 3.773 -3.223 14.444 1.00 25.00 O ATOM 1373 CB TYR A 82 5.973 -0.832 13.772 1.00 25.00 C ATOM 1374 CG TYR A 82 5.774 0.619 14.129 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.531 1.232 13.897 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.811 1.390 14.708 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.317 2.598 14.223 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.596 2.754 15.047 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.350 3.344 14.794 1.00 25.00 C ATOM 1380 OH TYR A 82 5.134 4.660 15.117 1.00 25.00 O ATOM 0 H TYR A 82 7.669 -1.767 15.265 1.00 25.00 H new ATOM 0 HA TYR A 82 4.903 -1.278 15.579 1.00 25.00 H new ATOM 0 HB2 TYR A 82 7.014 -0.993 13.491 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.366 -1.073 12.899 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.726 0.656 13.464 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.774 0.938 14.894 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.359 3.058 14.030 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.389 3.333 15.497 1.00 25.00 H new ATOM 0 HH TYR A 82 5.949 5.039 15.506 1.00 25.00 H new ATOM 1390 N TRP A 83 5.799 -3.913 13.805 1.00 25.00 N ATOM 1391 CA TRP A 83 5.331 -5.161 13.219 1.00 25.00 C ATOM 1392 C TRP A 83 4.568 -6.009 14.232 1.00 25.00 C ATOM 1393 O TRP A 83 3.539 -6.607 13.907 1.00 25.00 O ATOM 1394 CB TRP A 83 6.534 -5.958 12.705 1.00 25.00 C ATOM 1395 CG TRP A 83 6.167 -7.295 12.166 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.731 -7.596 10.919 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.192 -8.549 12.875 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.465 -8.926 10.789 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.727 -9.548 11.974 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.561 -8.930 14.182 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.609 -10.899 12.343 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.458 -10.293 14.555 1.00 25.00 C ATOM 1403 CH2 TRP A 83 5.976 -11.263 13.627 1.00 25.00 C ATOM 0 H TRP A 83 6.809 -3.783 13.753 1.00 25.00 H new ATOM 0 HA TRP A 83 4.653 -4.916 12.402 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.035 -5.384 11.925 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.250 -6.085 13.517 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.609 -6.872 10.127 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.125 -9.382 9.943 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.917 -8.194 14.888 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.241 -11.634 11.643 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.747 -10.600 15.549 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.896 -12.296 13.931 1.00 25.00 H new ATOM 1414 N ASN A 84 5.061 -6.040 15.463 1.00 25.00 N ATOM 1415 CA ASN A 84 4.437 -6.823 16.529 1.00 25.00 C ATOM 1416 C ASN A 84 3.029 -6.317 16.844 1.00 25.00 C ATOM 1417 O ASN A 84 2.161 -7.102 17.217 1.00 25.00 O ATOM 1418 CB ASN A 84 5.290 -6.773 17.804 1.00 25.00 C ATOM 1419 CG ASN A 84 6.235 -7.947 17.919 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.833 -9.046 18.272 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.482 -7.730 17.628 1.00 25.00 N ATOM 0 H ASN A 84 5.896 -5.530 15.752 1.00 25.00 H new ATOM 0 HA ASN A 84 4.367 -7.852 16.177 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.864 -5.847 17.816 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.634 -6.753 18.675 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.160 -8.489 17.691 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.783 -6.800 17.337 1.00 25.00 H new ATOM 1428 N LEU A 85 2.801 -5.021 16.665 1.00 25.00 N ATOM 1429 CA LEU A 85 1.496 -4.419 16.945 1.00 25.00 C ATOM 1430 C LEU A 85 0.469 -4.973 15.963 1.00 25.00 C ATOM 1431 O LEU A 85 -0.624 -5.370 16.338 1.00 25.00 O ATOM 1432 CB LEU A 85 1.605 -2.888 16.824 1.00 25.00 C ATOM 1433 CG LEU A 85 0.466 -2.002 17.361 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.990 -0.565 17.463 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.787 -2.007 16.487 1.00 25.00 C ATOM 0 H LEU A 85 3.503 -4.363 16.326 1.00 25.00 H new ATOM 0 HA LEU A 85 1.176 -4.663 17.958 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.521 -2.585 17.331 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.732 -2.652 15.767 1.00 25.00 H new ATOM 0 HG LEU A 85 0.170 -2.408 18.328 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.201 0.084 17.842 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.841 -0.536 18.143 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.301 -0.220 16.477 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.543 -1.360 16.931 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.537 -1.642 15.491 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.176 -3.023 16.414 1.00 25.00 H new ATOM 1447 N ILE A 86 0.835 -5.034 14.695 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.083 -5.565 13.694 1.00 25.00 C ATOM 1449 C ILE A 86 -0.188 -7.080 13.851 1.00 25.00 C ATOM 1450 O ILE A 86 -1.240 -7.667 13.614 1.00 25.00 O ATOM 1451 CB ILE A 86 0.348 -5.217 12.263 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.469 -3.697 12.113 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.686 -5.733 11.249 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.866 -3.247 11.816 1.00 25.00 C ATOM 0 H ILE A 86 1.740 -4.731 14.336 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.055 -5.101 13.860 1.00 25.00 H new ATOM 0 HB ILE A 86 1.311 -5.690 12.070 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.192 -3.363 11.313 1.00 25.00 H new ATOM 0 HG13 ILE A 86 0.127 -3.219 13.031 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.364 -5.477 10.239 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.774 -6.816 11.339 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.653 -5.272 11.449 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.886 -2.161 11.721 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.527 -3.553 12.627 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.203 -3.699 10.883 1.00 25.00 H new ATOM 1466 N LYS A 87 0.888 -7.714 14.292 1.00 25.00 N ATOM 1467 CA LYS A 87 0.869 -9.161 14.483 1.00 25.00 C ATOM 1468 C LYS A 87 -0.224 -9.541 15.470 1.00 25.00 C ATOM 1469 O LYS A 87 -0.980 -10.447 15.190 1.00 25.00 O ATOM 1470 CB LYS A 87 2.255 -9.690 14.909 1.00 25.00 C ATOM 1471 CG LYS A 87 2.277 -10.549 16.183 1.00 25.00 C ATOM 1472 CD LYS A 87 3.674 -10.974 16.536 1.00 25.00 C ATOM 1473 CE LYS A 87 3.703 -11.619 17.915 1.00 25.00 C ATOM 1474 NZ LYS A 87 5.114 -11.807 18.391 1.00 25.00 N ATOM 0 H LYS A 87 1.773 -7.261 14.522 1.00 25.00 H new ATOM 0 HA LYS A 87 0.638 -9.639 13.531 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.667 -10.278 14.089 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.919 -8.838 15.055 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.847 -9.985 17.011 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.653 -11.431 16.039 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.045 -11.678 15.791 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.339 -10.110 16.518 1.00 25.00 H new ATOM 0 HE2 LYS A 87 3.156 -10.996 18.623 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.196 -12.583 17.880 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 5.106 -12.233 19.340 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.621 -12.434 17.734 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.593 -10.885 18.429 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.354 -8.842 16.589 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.385 -9.207 17.560 1.00 25.00 C ATOM 1490 C GLU A 88 -2.778 -8.823 17.056 1.00 25.00 C ATOM 1491 O GLU A 88 -3.757 -9.499 17.370 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.100 -8.603 18.941 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.057 -7.095 18.978 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.839 -6.561 20.372 1.00 25.00 C ATOM 1495 OE1 GLU A 88 0.244 -6.782 20.953 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -1.737 -5.870 20.883 1.00 25.00 O ATOM 0 H GLU A 88 0.222 -8.040 16.846 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.361 -10.291 17.673 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.865 -8.947 19.637 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.146 -8.988 19.300 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.258 -6.741 18.327 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -1.991 -6.698 18.581 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.862 -7.794 16.220 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.142 -7.399 15.633 1.00 25.00 C ATOM 1505 C LEU A 89 -4.682 -8.498 14.726 1.00 25.00 C ATOM 1506 O LEU A 89 -5.871 -8.785 14.746 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.017 -6.092 14.840 1.00 25.00 C ATOM 1508 CG LEU A 89 -3.974 -4.787 15.657 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.699 -3.610 14.716 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.289 -4.538 16.413 1.00 25.00 C ATOM 0 H LEU A 89 -2.068 -7.221 15.934 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.839 -7.238 16.455 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.111 -6.146 14.237 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.857 -6.032 14.148 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.178 -4.881 16.396 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.668 -2.684 15.291 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.742 -3.759 14.217 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.491 -3.548 13.970 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.215 -3.607 16.976 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.111 -4.466 15.700 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.476 -5.363 17.100 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.816 -9.121 13.939 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.253 -10.197 13.046 1.00 25.00 C ATOM 1524 C ILE A 90 -4.401 -11.504 13.831 1.00 25.00 C ATOM 1525 O ILE A 90 -5.337 -12.266 13.609 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.258 -10.440 11.878 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.012 -9.147 11.077 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.828 -11.500 10.908 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.843 -9.270 10.099 1.00 25.00 C ATOM 0 H ILE A 90 -2.819 -8.908 13.896 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.209 -9.885 12.626 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.320 -10.782 12.315 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.916 -8.889 10.525 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.816 -8.328 11.769 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.123 -11.663 10.093 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.986 -12.436 11.444 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.777 -11.149 10.503 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.717 -8.329 9.563 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.931 -9.499 10.650 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -2.047 -10.069 9.386 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.483 -11.749 14.758 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.483 -12.978 15.567 1.00 25.00 C ATOM 1543 C ASP A 91 -4.796 -13.133 16.316 1.00 25.00 C ATOM 1544 O ASP A 91 -5.286 -14.237 16.499 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.325 -12.924 16.573 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.174 -14.200 17.374 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.624 -15.183 16.826 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.442 -14.163 18.601 1.00 25.00 O ATOM 0 H ASP A 91 -2.718 -11.110 14.975 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.361 -13.833 14.901 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.396 -12.726 16.038 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.484 -12.090 17.256 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.380 -12.012 16.718 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.645 -12.017 17.449 1.00 25.00 C ATOM 1555 C LYS A 92 -7.730 -11.248 16.714 1.00 25.00 C ATOM 1556 O LYS A 92 -8.620 -10.661 17.325 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.414 -11.493 18.852 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.419 -12.381 19.557 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.521 -12.277 21.034 1.00 25.00 C ATOM 1560 CE LYS A 92 -4.679 -13.371 21.692 1.00 25.00 C ATOM 1561 NZ LYS A 92 -3.254 -13.369 21.202 1.00 25.00 N ATOM 0 H LYS A 92 -4.997 -11.082 16.550 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.010 -13.042 17.519 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.042 -10.469 18.814 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.354 -11.470 19.404 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -5.581 -13.416 19.256 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.410 -12.112 19.245 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -5.179 -11.296 21.363 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.562 -12.372 21.343 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.689 -13.233 22.773 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.129 -14.343 21.490 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -2.680 -13.995 21.802 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -3.224 -13.709 20.219 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -2.873 -12.402 21.246 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.687 -11.296 15.387 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.712 -10.632 14.567 1.00 25.00 C ATOM 1577 C LYS A 93 -10.065 -11.307 14.760 1.00 25.00 C ATOM 1578 O LYS A 93 -11.103 -10.727 14.494 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.318 -10.627 13.082 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.352 -11.995 12.390 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.817 -11.871 10.968 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.814 -13.208 10.230 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.210 -13.669 9.914 1.00 25.00 N ATOM 0 H LYS A 93 -6.965 -11.780 14.854 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.788 -9.596 14.896 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -8.986 -9.952 12.548 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.312 -10.217 12.991 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.753 -12.711 12.952 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.372 -12.378 12.372 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.425 -11.155 10.415 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -6.803 -11.473 10.997 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.244 -13.113 9.306 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.311 -13.959 10.839 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.197 -14.249 9.051 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.576 -14.235 10.706 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -9.823 -12.842 9.766 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.030 -12.532 15.260 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.232 -13.318 15.531 1.00 25.00 C ATOM 1599 C GLU A 94 -12.126 -12.689 16.605 1.00 25.00 C ATOM 1600 O GLU A 94 -13.342 -12.808 16.540 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.820 -14.734 15.958 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.669 -14.773 16.981 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.330 -16.186 17.420 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.202 -17.069 16.545 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -9.166 -16.404 18.638 1.00 25.00 O ATOM 0 H GLU A 94 -9.163 -13.016 15.492 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.819 -13.348 14.613 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.687 -15.240 16.383 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.524 -15.297 15.073 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.784 -14.309 16.545 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.943 -14.180 17.854 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.529 -11.988 17.563 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.291 -11.334 18.635 1.00 25.00 C ATOM 1614 C VAL A 95 -12.259 -9.821 18.445 1.00 25.00 C ATOM 1615 O VAL A 95 -12.727 -9.057 19.283 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.742 -11.717 20.044 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.949 -13.218 20.305 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.247 -11.371 20.178 1.00 25.00 C ATOM 0 H VAL A 95 -10.520 -11.855 17.624 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.322 -11.682 18.578 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.296 -11.138 20.783 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.562 -13.473 21.292 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.013 -13.452 20.261 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.419 -13.795 19.547 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.896 -11.651 21.171 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.678 -11.917 19.425 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.107 -10.300 20.032 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.714 -9.396 17.316 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.637 -7.979 16.971 1.00 25.00 C ATOM 1630 C ASN A 96 -12.247 -7.778 15.578 1.00 25.00 C ATOM 1631 O ASN A 96 -11.531 -7.671 14.579 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.179 -7.508 17.017 1.00 25.00 C ATOM 1633 CG ASN A 96 -10.048 -6.004 16.892 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -10.840 -5.342 16.230 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -9.053 -5.456 17.536 1.00 25.00 N ATOM 0 H ASN A 96 -11.313 -10.018 16.614 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.198 -7.383 17.690 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.726 -7.832 17.954 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.621 -7.986 16.212 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.915 -4.446 17.498 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.413 -6.038 18.077 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.588 -7.728 15.485 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.170 -7.606 14.143 1.00 25.00 C ATOM 1644 C PRO A 97 -13.895 -6.263 13.467 1.00 25.00 C ATOM 1645 O PRO A 97 -13.974 -6.152 12.244 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.667 -7.805 14.401 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.865 -7.322 15.792 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.638 -7.805 16.521 1.00 25.00 C ATOM 0 HA PRO A 97 -13.736 -8.327 13.450 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.272 -7.238 13.693 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.953 -8.852 14.298 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.950 -6.236 15.830 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.776 -7.729 16.230 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.405 -7.176 17.380 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.764 -8.821 16.894 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.530 -5.254 14.250 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.234 -3.937 13.705 1.00 25.00 C ATOM 1658 C GLN A 98 -12.009 -4.046 12.811 1.00 25.00 C ATOM 1659 O GLN A 98 -11.985 -3.510 11.699 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.964 -2.943 14.840 1.00 25.00 C ATOM 1661 CG GLN A 98 -12.841 -1.495 14.384 1.00 25.00 C ATOM 1662 CD GLN A 98 -14.185 -0.796 14.294 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -14.601 -0.468 13.102 1.00 25.00 O flip ATOM 1664 NE2 GLN A 98 -14.822 -0.535 15.299 1.00 25.00 N flip ATOM 0 H GLN A 98 -13.432 -5.324 15.263 1.00 25.00 H new ATOM 0 HA GLN A 98 -14.086 -3.578 13.128 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -13.770 -3.015 15.571 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -12.045 -3.231 15.350 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.199 -0.953 15.078 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -12.354 -1.465 13.409 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -14.464 -0.808 16.215 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -15.713 -0.044 15.225 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.992 -4.751 13.289 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.779 -4.904 12.504 1.00 25.00 C ATOM 1675 C VAL A 99 -9.945 -6.016 11.477 1.00 25.00 C ATOM 1676 O VAL A 99 -9.369 -5.943 10.418 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.513 -5.132 13.389 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.355 -6.601 13.794 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -7.262 -4.655 12.647 1.00 25.00 C ATOM 0 H VAL A 99 -10.983 -5.216 14.197 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.617 -3.964 11.977 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.640 -4.551 14.302 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.462 -6.715 14.409 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -9.230 -6.918 14.362 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.261 -7.217 12.900 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -6.384 -4.818 13.272 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.155 -5.214 11.718 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -7.355 -3.592 12.422 1.00 25.00 H new ATOM 1689 N MET A 100 -10.769 -7.017 11.757 1.00 25.00 N ATOM 1690 CA MET A 100 -10.998 -8.114 10.812 1.00 25.00 C ATOM 1691 C MET A 100 -11.568 -7.572 9.500 1.00 25.00 C ATOM 1692 O MET A 100 -11.151 -7.965 8.418 1.00 25.00 O ATOM 1693 CB MET A 100 -11.976 -9.116 11.420 1.00 25.00 C ATOM 1694 CG MET A 100 -11.692 -10.591 11.124 1.00 25.00 C ATOM 1695 SD MET A 100 -11.350 -11.015 9.397 1.00 25.00 S ATOM 1696 CE MET A 100 -12.974 -10.818 8.624 1.00 25.00 C ATOM 0 H MET A 100 -11.292 -7.097 12.629 1.00 25.00 H new ATOM 0 HA MET A 100 -10.048 -8.608 10.607 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.983 -8.977 12.501 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.978 -8.880 11.062 1.00 25.00 H new ATOM 0 HG2 MET A 100 -10.839 -10.902 11.727 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.549 -11.177 11.456 1.00 25.00 H new ATOM 0 HE1 MET A 100 -12.902 -11.049 7.561 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.686 -11.496 9.095 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.314 -9.790 8.750 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.480 -6.617 9.596 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.034 -5.991 8.401 1.00 25.00 C ATOM 1708 C ALA A 101 -11.944 -5.220 7.640 1.00 25.00 C ATOM 1709 O ALA A 101 -11.995 -5.100 6.425 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.176 -5.063 8.793 1.00 25.00 C ATOM 0 H ALA A 101 -12.850 -6.260 10.477 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.420 -6.767 7.739 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.589 -4.596 7.899 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.955 -5.637 9.295 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.803 -4.291 9.466 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.947 -4.721 8.356 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.841 -4.006 7.736 1.00 25.00 C ATOM 1718 C ALA A 102 -8.907 -5.020 7.062 1.00 25.00 C ATOM 1719 O ALA A 102 -8.349 -4.741 6.011 1.00 25.00 O ATOM 1720 CB ALA A 102 -9.083 -3.177 8.795 1.00 25.00 C ATOM 0 H ALA A 102 -10.881 -4.799 9.371 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.222 -3.317 6.982 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.258 -2.647 8.320 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.764 -2.457 9.249 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.691 -3.841 9.565 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.767 -6.201 7.652 1.00 25.00 N ATOM 1727 CA VAL A 103 -7.941 -7.264 7.067 1.00 25.00 C ATOM 1728 C VAL A 103 -8.544 -7.653 5.727 1.00 25.00 C ATOM 1729 O VAL A 103 -7.849 -7.683 4.713 1.00 25.00 O ATOM 1730 CB VAL A 103 -7.875 -8.532 7.991 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.137 -9.678 7.303 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.184 -8.194 9.321 1.00 25.00 C ATOM 0 H VAL A 103 -9.212 -6.452 8.535 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.925 -6.888 6.950 1.00 25.00 H new ATOM 0 HB VAL A 103 -8.898 -8.850 8.190 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.107 -10.542 7.967 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.657 -9.945 6.383 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.119 -9.366 7.068 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.147 -9.084 9.949 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.170 -7.846 9.126 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.744 -7.412 9.834 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.848 -7.895 5.721 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.551 -8.281 4.503 1.00 25.00 C ATOM 1744 C ALA A 104 -10.448 -7.171 3.453 1.00 25.00 C ATOM 1745 O ALA A 104 -10.185 -7.432 2.289 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.016 -8.583 4.830 1.00 25.00 C ATOM 0 H ALA A 104 -10.442 -7.831 6.547 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.089 -9.179 4.092 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.540 -8.871 3.919 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.067 -9.398 5.552 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.485 -7.695 5.253 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.606 -5.928 3.878 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.482 -4.804 2.959 1.00 25.00 C ATOM 1754 C GLN A 105 -9.080 -4.688 2.383 1.00 25.00 C ATOM 1755 O GLN A 105 -8.916 -4.347 1.218 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.854 -3.501 3.655 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.343 -3.257 3.637 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.683 -1.823 3.885 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.545 -0.993 2.998 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.136 -1.514 5.069 1.00 25.00 N ATOM 0 H GLN A 105 -10.818 -5.671 4.842 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.171 -4.990 2.135 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.503 -3.528 4.687 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.344 -2.670 3.167 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.748 -3.563 2.672 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.820 -3.878 4.395 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.236 -2.237 5.781 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.390 -0.549 5.282 1.00 25.00 H new ATOM 1769 N THR A 106 -8.060 -4.987 3.169 1.00 25.00 N ATOM 1770 CA THR A 106 -6.699 -4.921 2.657 1.00 25.00 C ATOM 1771 C THR A 106 -6.532 -6.014 1.601 1.00 25.00 C ATOM 1772 O THR A 106 -5.928 -5.788 0.557 1.00 25.00 O ATOM 1773 CB THR A 106 -5.655 -5.096 3.776 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.955 -4.222 4.860 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.274 -4.736 3.291 1.00 25.00 C ATOM 0 H THR A 106 -8.142 -5.272 4.145 1.00 25.00 H new ATOM 0 HA THR A 106 -6.532 -3.936 2.220 1.00 25.00 H new ATOM 0 HB THR A 106 -5.685 -6.140 4.086 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.822 -4.465 5.246 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.558 -4.869 4.102 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.002 -5.382 2.456 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.263 -3.696 2.964 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.122 -7.180 1.835 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.075 -8.260 0.850 1.00 25.00 C ATOM 1785 C GLU A 107 -7.785 -7.865 -0.448 1.00 25.00 C ATOM 1786 O GLU A 107 -7.321 -8.237 -1.516 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.688 -9.553 1.404 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.845 -10.208 2.485 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.415 -11.542 2.949 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.591 -11.593 3.355 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.664 -12.548 2.918 1.00 25.00 O ATOM 0 H GLU A 107 -7.634 -7.403 2.688 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.023 -8.441 0.630 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.676 -9.333 1.808 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.828 -10.259 0.586 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.834 -10.361 2.108 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.768 -9.534 3.338 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.867 -7.094 -0.374 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.558 -6.611 -1.588 1.00 25.00 C ATOM 1800 C GLU A 108 -8.632 -5.708 -2.398 1.00 25.00 C ATOM 1801 O GLU A 108 -8.501 -5.844 -3.614 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.796 -5.768 -1.239 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.967 -6.505 -0.623 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.067 -5.529 -0.202 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.585 -4.784 -1.069 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -13.357 -5.438 1.008 1.00 25.00 O ATOM 0 H GLU A 108 -9.289 -6.787 0.502 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.851 -7.497 -2.152 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.489 -4.981 -0.551 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.142 -5.278 -2.149 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.367 -7.223 -1.339 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.629 -7.073 0.243 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.002 -4.771 -1.707 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.140 -3.764 -2.335 1.00 25.00 C ATOM 1815 C ILE A 109 -5.932 -4.444 -2.985 1.00 25.00 C ATOM 1816 O ILE A 109 -5.472 -4.036 -4.053 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.723 -2.697 -1.268 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -7.983 -1.917 -0.819 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.663 -1.711 -1.824 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.891 -1.297 0.573 1.00 25.00 C ATOM 0 H ILE A 109 -8.070 -4.681 -0.693 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.680 -3.245 -3.127 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.275 -3.215 -0.420 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.179 -1.125 -1.542 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -8.839 -2.591 -0.845 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.400 -0.987 -1.053 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -4.772 -2.264 -2.121 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.071 -1.188 -2.689 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.819 -0.772 0.800 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.729 -2.082 1.311 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.059 -0.593 0.604 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.476 -5.541 -2.400 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.382 -6.319 -2.986 1.00 25.00 C ATOM 1834 C LEU A 110 -4.754 -6.938 -4.342 1.00 25.00 C ATOM 1835 O LEU A 110 -3.886 -7.130 -5.184 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.939 -7.413 -2.009 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.678 -7.100 -1.183 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.688 -5.730 -0.500 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.492 -8.184 -0.118 1.00 25.00 C ATOM 0 H LEU A 110 -5.841 -5.916 -1.524 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.558 -5.629 -3.169 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.760 -7.615 -1.322 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.763 -8.329 -2.573 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.852 -7.081 -1.893 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.762 -5.595 0.059 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.774 -4.948 -1.254 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.536 -5.670 0.183 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.600 -7.967 0.470 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.363 -8.203 0.537 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.380 -9.154 -0.602 1.00 25.00 H new ATOM 1851 N LYS A 111 -6.033 -7.211 -4.579 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.484 -7.733 -5.880 1.00 25.00 C ATOM 1853 C LYS A 111 -6.655 -6.618 -6.902 1.00 25.00 C ATOM 1854 O LYS A 111 -6.666 -6.865 -8.098 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.817 -8.481 -5.740 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.864 -9.474 -4.583 1.00 25.00 C ATOM 1857 CD LYS A 111 -6.842 -10.589 -4.695 1.00 25.00 C ATOM 1858 CE LYS A 111 -6.250 -10.913 -3.331 1.00 25.00 C ATOM 1859 NZ LYS A 111 -7.277 -11.148 -2.256 1.00 25.00 N ATOM 0 H LYS A 111 -6.779 -7.083 -3.895 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.712 -8.420 -6.227 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.617 -7.752 -5.610 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -8.020 -9.014 -6.669 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -7.702 -8.937 -3.648 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -8.861 -9.911 -4.531 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -7.311 -11.479 -5.114 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -6.048 -10.294 -5.381 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -5.623 -11.800 -3.420 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -5.600 -10.093 -3.025 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -6.859 -11.723 -1.497 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -7.588 -10.235 -1.868 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.094 -11.649 -2.660 1.00 25.00 H new