USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 697 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 89 HIS : no HD1:sc= -0.67 K(o=-1.6,f=-2.3) USER MOD Set 1.2: A 93 SER OG : rot -96:sc= -0.909 USER MOD Set 2.1: A 49 SER OG : rot 127:sc= 0.791 USER MOD Set 2.2: A 51 SER OG : rot 180:sc= 1.08 USER MOD Set 3.1: A 25 LYS NZ :NH3+ 160:sc= -0.0399 (180deg=-0.32) USER MOD Set 3.2: A 28 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.1!) USER MOD Set 4.1: A 15 THR OG1 : rot 180:sc= 0.153 USER MOD Set 4.2: A 37 ASN : amide:sc= -0.948 X(o=-0.79,f=-0.5) USER MOD Single : A 17 MET CE :methyl -143:sc= -0.637 (180deg=-2) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.2!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc=-0.00498 (180deg=-0.134) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -2.29! C(o=-2.3!,f=-3.9!) USER MOD Single : A 57 CYS SG : rot 180:sc= -1.56 USER MOD Single : A 58 HIS : no HD1:sc= -0.628 K(o=-0.63,f=-1.6) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -159:sc= 1.1 USER MOD Single : A 74 HIS :FLIP no HE2:sc= -2.94 F(o=-3.5!,f=-2.9) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0529 F(o=-0.63,f=-0.053) USER MOD Single : A 79 HIS : no HE2:sc= -8.38! C(o=-8.4!,f=-10!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -106:sc= -0.582 (180deg=-2.64!) USER MOD Single : A 86 ASN : amide:sc= -0.378 K(o=-0.38,f=-5.2!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ASP A 10 -6.555 17.438 -4.118 1.00 0.00 N ATOM 90 CA ASP A 10 -6.105 16.504 -5.144 1.00 0.00 C ATOM 91 C ASP A 10 -5.844 15.125 -4.547 1.00 0.00 C ATOM 92 O ASP A 10 -4.911 14.430 -4.950 1.00 0.00 O ATOM 93 CB ASP A 10 -4.837 17.029 -5.820 1.00 0.00 C ATOM 94 CG ASP A 10 -5.084 18.303 -6.604 1.00 0.00 C ATOM 95 OD1 ASP A 10 -5.993 18.305 -7.461 1.00 0.00 O ATOM 96 OD2 ASP A 10 -4.368 19.297 -6.363 1.00 0.00 O ATOM 0 HA ASP A 10 -6.895 16.413 -5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.075 17.214 -5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.442 16.265 -6.489 1.00 0.00 H new ATOM 101 N ALA A 11 -6.673 14.736 -3.585 1.00 0.00 N ATOM 102 CA ALA A 11 -6.533 13.440 -2.933 1.00 0.00 C ATOM 103 C ALA A 11 -6.881 12.304 -3.890 1.00 0.00 C ATOM 104 O ALA A 11 -6.110 11.357 -4.050 1.00 0.00 O ATOM 105 CB ALA A 11 -7.412 13.375 -1.692 1.00 0.00 C ATOM 0 H ALA A 11 -7.449 15.300 -3.239 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.492 13.322 -2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.297 12.401 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.115 14.158 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.454 13.519 -1.976 1.00 0.00 H new ATOM 111 N ARG A 12 -8.046 12.404 -4.522 1.00 0.00 N ATOM 112 CA ARG A 12 -8.496 11.384 -5.461 1.00 0.00 C ATOM 113 C ARG A 12 -7.613 11.363 -6.705 1.00 0.00 C ATOM 114 O ARG A 12 -7.402 10.312 -7.311 1.00 0.00 O ATOM 115 CB ARG A 12 -9.951 11.634 -5.860 1.00 0.00 C ATOM 116 CG ARG A 12 -10.930 11.506 -4.704 1.00 0.00 C ATOM 117 CD ARG A 12 -12.365 11.712 -5.163 1.00 0.00 C ATOM 118 NE ARG A 12 -12.617 13.093 -5.567 1.00 0.00 N ATOM 119 CZ ARG A 12 -13.745 13.496 -6.141 1.00 0.00 C ATOM 120 NH1 ARG A 12 -14.720 12.628 -6.377 1.00 0.00 N ATOM 121 NH2 ARG A 12 -13.901 14.769 -6.480 1.00 0.00 N ATOM 0 H ARG A 12 -8.695 13.181 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.423 10.415 -4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.035 12.633 -6.287 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.231 10.928 -6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.830 10.520 -4.249 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.684 12.238 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.578 11.045 -5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.046 11.440 -4.357 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.887 13.785 -5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.605 11.648 -6.118 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.585 12.940 -6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.154 15.440 -6.300 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.768 15.077 -6.921 1.00 0.00 H new ATOM 135 N ARG A 13 -7.099 12.530 -7.080 1.00 0.00 N ATOM 136 CA ARG A 13 -6.241 12.646 -8.253 1.00 0.00 C ATOM 137 C ARG A 13 -5.208 11.523 -8.283 1.00 0.00 C ATOM 138 O ARG A 13 -4.869 11.005 -9.349 1.00 0.00 O ATOM 139 CB ARG A 13 -5.535 14.003 -8.262 1.00 0.00 C ATOM 140 CG ARG A 13 -6.486 15.184 -8.366 1.00 0.00 C ATOM 141 CD ARG A 13 -6.751 15.560 -9.815 1.00 0.00 C ATOM 142 NE ARG A 13 -7.825 16.542 -9.938 1.00 0.00 N ATOM 143 CZ ARG A 13 -9.113 16.239 -9.827 1.00 0.00 C ATOM 144 NH1 ARG A 13 -9.486 14.989 -9.591 1.00 0.00 N ATOM 145 NH2 ARG A 13 -10.032 17.188 -9.951 1.00 0.00 N ATOM 0 H ARG A 13 -7.262 13.409 -6.588 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.868 12.564 -9.141 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.945 14.102 -7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.837 14.034 -9.099 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.428 14.939 -7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.064 16.040 -7.838 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.840 15.962 -10.258 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.012 14.665 -10.380 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.572 17.513 -10.119 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.783 14.257 -9.494 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.476 14.760 -9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.749 18.151 -10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.021 16.954 -9.866 1.00 0.00 H new ATOM 159 N LEU A 14 -4.712 11.151 -7.109 1.00 0.00 N ATOM 160 CA LEU A 14 -3.717 10.089 -7.000 1.00 0.00 C ATOM 161 C LEU A 14 -4.233 8.794 -7.619 1.00 0.00 C ATOM 162 O LEU A 14 -5.425 8.492 -7.550 1.00 0.00 O ATOM 163 CB LEU A 14 -3.348 9.856 -5.534 1.00 0.00 C ATOM 164 CG LEU A 14 -2.209 10.715 -4.984 1.00 0.00 C ATOM 165 CD1 LEU A 14 -2.717 12.099 -4.611 1.00 0.00 C ATOM 166 CD2 LEU A 14 -1.564 10.040 -3.782 1.00 0.00 C ATOM 0 H LEU A 14 -4.982 11.569 -6.218 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.827 10.402 -7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.235 10.031 -4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.078 8.807 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.454 10.825 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.893 12.696 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.131 12.585 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.492 12.009 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.756 10.666 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.310 9.899 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.164 9.071 -4.080 1.00 0.00 H new ATOM 178 N THR A 15 -3.328 8.029 -8.221 1.00 0.00 N ATOM 179 CA THR A 15 -3.691 6.766 -8.850 1.00 0.00 C ATOM 180 C THR A 15 -2.836 5.621 -8.319 1.00 0.00 C ATOM 181 O THR A 15 -1.643 5.788 -8.069 1.00 0.00 O ATOM 182 CB THR A 15 -3.539 6.837 -10.382 1.00 0.00 C ATOM 183 OG1 THR A 15 -3.846 8.157 -10.844 1.00 0.00 O ATOM 184 CG2 THR A 15 -4.452 5.829 -11.063 1.00 0.00 C ATOM 0 H THR A 15 -2.337 8.263 -8.286 1.00 0.00 H new ATOM 0 HA THR A 15 -4.736 6.580 -8.604 1.00 0.00 H new ATOM 0 HB THR A 15 -2.506 6.596 -10.635 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.746 8.194 -11.818 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.328 5.897 -12.144 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.195 4.823 -10.731 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.489 6.043 -10.803 1.00 0.00 H new ATOM 192 N VAL A 16 -3.455 4.457 -8.148 1.00 0.00 N ATOM 193 CA VAL A 16 -2.749 3.283 -7.648 1.00 0.00 C ATOM 194 C VAL A 16 -2.239 2.418 -8.795 1.00 0.00 C ATOM 195 O VAL A 16 -2.959 2.158 -9.758 1.00 0.00 O ATOM 196 CB VAL A 16 -3.654 2.429 -6.739 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.976 1.112 -6.395 1.00 0.00 C ATOM 198 CG2 VAL A 16 -4.018 3.197 -5.477 1.00 0.00 C ATOM 0 H VAL A 16 -4.443 4.302 -8.348 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.902 3.647 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.574 2.205 -7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.630 0.523 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.772 0.558 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.039 1.310 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.657 2.579 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.109 3.453 -4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.548 4.110 -5.747 1.00 0.00 H new ATOM 208 N MET A 17 -0.991 1.974 -8.684 1.00 0.00 N ATOM 209 CA MET A 17 -0.384 1.136 -9.712 1.00 0.00 C ATOM 210 C MET A 17 0.228 -0.119 -9.098 1.00 0.00 C ATOM 211 O MET A 17 0.545 -0.149 -7.909 1.00 0.00 O ATOM 212 CB MET A 17 0.686 1.920 -10.473 1.00 0.00 C ATOM 213 CG MET A 17 0.199 3.261 -10.998 1.00 0.00 C ATOM 214 SD MET A 17 1.438 4.107 -11.998 1.00 0.00 S ATOM 215 CE MET A 17 2.650 4.531 -10.748 1.00 0.00 C ATOM 0 H MET A 17 -0.381 2.180 -7.893 1.00 0.00 H new ATOM 0 HA MET A 17 -1.166 0.834 -10.408 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.540 2.085 -9.816 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.039 1.318 -11.310 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.701 3.108 -11.594 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.079 3.896 -10.157 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.075 5.510 -10.970 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.170 4.557 -9.770 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.444 3.784 -10.743 1.00 0.00 H new ATOM 225 N SER A 18 0.392 -1.153 -9.917 1.00 0.00 N ATOM 226 CA SER A 18 0.962 -2.413 -9.453 1.00 0.00 C ATOM 227 C SER A 18 0.436 -2.769 -8.066 1.00 0.00 C ATOM 228 O SER A 18 1.209 -3.056 -7.151 1.00 0.00 O ATOM 229 CB SER A 18 2.489 -2.325 -9.425 1.00 0.00 C ATOM 230 OG SER A 18 3.002 -1.948 -10.691 1.00 0.00 O ATOM 0 H SER A 18 0.138 -1.143 -10.905 1.00 0.00 H new ATOM 0 HA SER A 18 0.663 -3.198 -10.148 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.801 -1.601 -8.673 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.906 -3.288 -9.132 1.00 0.00 H new ATOM 0 HG SER A 18 3.980 -1.897 -10.646 1.00 0.00 H new ATOM 236 N LEU A 19 -0.884 -2.749 -7.918 1.00 0.00 N ATOM 237 CA LEU A 19 -1.515 -3.071 -6.643 1.00 0.00 C ATOM 238 C LEU A 19 -1.984 -4.522 -6.618 1.00 0.00 C ATOM 239 O LEU A 19 -3.021 -4.858 -7.189 1.00 0.00 O ATOM 240 CB LEU A 19 -2.698 -2.135 -6.387 1.00 0.00 C ATOM 241 CG LEU A 19 -3.691 -2.586 -5.315 1.00 0.00 C ATOM 242 CD1 LEU A 19 -3.185 -2.213 -3.930 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.062 -1.975 -5.566 1.00 0.00 C ATOM 0 H LEU A 19 -1.538 -2.513 -8.665 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.775 -2.935 -5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.307 -1.158 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.240 -2.003 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.784 -3.671 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.904 -2.541 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.226 -2.698 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.062 -1.132 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.755 -2.307 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.986 -0.888 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.428 -2.292 -6.543 1.00 0.00 H new ATOM 255 N GLN A 20 -1.216 -5.375 -5.949 1.00 0.00 N ATOM 256 CA GLN A 20 -1.554 -6.790 -5.849 1.00 0.00 C ATOM 257 C GLN A 20 -2.858 -6.985 -5.082 1.00 0.00 C ATOM 258 O GLN A 20 -2.855 -7.115 -3.858 1.00 0.00 O ATOM 259 CB GLN A 20 -0.425 -7.559 -5.161 1.00 0.00 C ATOM 260 CG GLN A 20 -0.345 -9.020 -5.572 1.00 0.00 C ATOM 261 CD GLN A 20 0.408 -9.221 -6.873 1.00 0.00 C ATOM 262 OE1 GLN A 20 0.035 -8.671 -7.910 1.00 0.00 O ATOM 263 NE2 GLN A 20 1.473 -10.011 -6.825 1.00 0.00 N ATOM 0 H GLN A 20 -0.356 -5.112 -5.468 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.685 -7.178 -6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.524 -7.074 -5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.563 -7.501 -4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.145 -9.589 -4.782 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.354 -9.420 -5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.746 -10.446 -5.944 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.019 -10.183 -7.669 1.00 0.00 H new ATOM 272 N GLU A 21 -3.970 -7.002 -5.810 1.00 0.00 N ATOM 273 CA GLU A 21 -5.281 -7.180 -5.196 1.00 0.00 C ATOM 274 C GLU A 21 -5.622 -8.661 -5.059 1.00 0.00 C ATOM 275 O GLU A 21 -6.250 -9.076 -4.086 1.00 0.00 O ATOM 276 CB GLU A 21 -6.356 -6.473 -6.025 1.00 0.00 C ATOM 277 CG GLU A 21 -7.744 -7.066 -5.853 1.00 0.00 C ATOM 278 CD GLU A 21 -8.846 -6.085 -6.207 1.00 0.00 C ATOM 279 OE1 GLU A 21 -8.569 -4.868 -6.232 1.00 0.00 O ATOM 280 OE2 GLU A 21 -9.983 -6.535 -6.457 1.00 0.00 O ATOM 0 H GLU A 21 -3.990 -6.895 -6.824 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.250 -6.739 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.383 -5.419 -5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.079 -6.518 -7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.837 -7.952 -6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.870 -7.392 -4.820 1.00 0.00 H new ATOM 287 N SER A 22 -5.202 -9.452 -6.041 1.00 0.00 N ATOM 288 CA SER A 22 -5.466 -10.886 -6.033 1.00 0.00 C ATOM 289 C SER A 22 -4.190 -11.675 -6.311 1.00 0.00 C ATOM 290 O SER A 22 -4.227 -12.741 -6.924 1.00 0.00 O ATOM 291 CB SER A 22 -6.532 -11.236 -7.072 1.00 0.00 C ATOM 292 OG SER A 22 -6.214 -10.681 -8.336 1.00 0.00 O ATOM 0 H SER A 22 -4.678 -9.124 -6.852 1.00 0.00 H new ATOM 0 HA SER A 22 -5.832 -11.157 -5.043 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.618 -12.319 -7.158 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.502 -10.864 -6.742 1.00 0.00 H new ATOM 0 HG SER A 22 -6.910 -10.921 -8.983 1.00 0.00 H new ATOM 298 N GLY A 23 -3.060 -11.141 -5.856 1.00 0.00 N ATOM 299 CA GLY A 23 -1.788 -11.807 -6.066 1.00 0.00 C ATOM 300 C GLY A 23 -0.867 -11.688 -4.867 1.00 0.00 C ATOM 301 O GLY A 23 0.313 -12.033 -4.945 1.00 0.00 O ATOM 0 H GLY A 23 -3.003 -10.259 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.964 -12.861 -6.282 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.298 -11.380 -6.941 1.00 0.00 H new ATOM 305 N LEU A 24 -1.405 -11.197 -3.756 1.00 0.00 N ATOM 306 CA LEU A 24 -0.622 -11.032 -2.536 1.00 0.00 C ATOM 307 C LEU A 24 -0.188 -12.384 -1.980 1.00 0.00 C ATOM 308 O LEU A 24 -0.874 -13.391 -2.159 1.00 0.00 O ATOM 309 CB LEU A 24 -1.435 -10.273 -1.485 1.00 0.00 C ATOM 310 CG LEU A 24 -1.296 -8.750 -1.501 1.00 0.00 C ATOM 311 CD1 LEU A 24 -1.960 -8.141 -0.276 1.00 0.00 C ATOM 312 CD2 LEU A 24 0.171 -8.349 -1.569 1.00 0.00 C ATOM 0 H LEU A 24 -2.379 -10.906 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 24 0.271 -10.458 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.487 -10.523 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.144 -10.634 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.798 -8.368 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.851 -7.057 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.019 -8.399 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.487 -8.530 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.251 -7.262 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.697 -8.743 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.617 -8.754 -2.477 1.00 0.00 H new ATOM 324 N LYS A 25 0.955 -12.400 -1.303 1.00 0.00 N ATOM 325 CA LYS A 25 1.481 -13.627 -0.717 1.00 0.00 C ATOM 326 C LYS A 25 1.623 -13.491 0.795 1.00 0.00 C ATOM 327 O LYS A 25 2.362 -12.636 1.285 1.00 0.00 O ATOM 328 CB LYS A 25 2.836 -13.974 -1.338 1.00 0.00 C ATOM 329 CG LYS A 25 2.734 -14.535 -2.746 1.00 0.00 C ATOM 330 CD LYS A 25 2.544 -13.431 -3.774 1.00 0.00 C ATOM 331 CE LYS A 25 3.860 -12.746 -4.106 1.00 0.00 C ATOM 332 NZ LYS A 25 4.786 -13.650 -4.843 1.00 0.00 N ATOM 0 H LYS A 25 1.535 -11.576 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 25 0.776 -14.431 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.458 -13.079 -1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.342 -14.700 -0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.636 -15.100 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.898 -15.233 -2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.111 -13.849 -4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.836 -12.695 -3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.665 -11.858 -4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.337 -12.410 -3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.503 -13.083 -5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.255 -14.289 -4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.247 -14.210 -5.534 1.00 0.00 H new ATOM 346 N VAL A 26 0.912 -14.338 1.531 1.00 0.00 N ATOM 347 CA VAL A 26 0.961 -14.314 2.988 1.00 0.00 C ATOM 348 C VAL A 26 2.390 -14.484 3.493 1.00 0.00 C ATOM 349 O VAL A 26 3.215 -15.125 2.844 1.00 0.00 O ATOM 350 CB VAL A 26 0.077 -15.418 3.599 1.00 0.00 C ATOM 351 CG1 VAL A 26 -1.394 -15.053 3.475 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.361 -16.756 2.933 1.00 0.00 C ATOM 0 H VAL A 26 0.294 -15.050 1.142 1.00 0.00 H new ATOM 0 HA VAL A 26 0.581 -13.341 3.301 1.00 0.00 H new ATOM 0 HB VAL A 26 0.316 -15.507 4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.003 -15.844 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.582 -14.117 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.652 -14.935 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.272 -17.525 3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.150 -16.683 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.408 -17.020 3.079 1.00 0.00 H new ATOM 362 N ASN A 27 2.674 -13.906 4.655 1.00 0.00 N ATOM 363 CA ASN A 27 4.003 -13.994 5.248 1.00 0.00 C ATOM 364 C ASN A 27 5.079 -13.635 4.227 1.00 0.00 C ATOM 365 O ASN A 27 6.088 -14.328 4.105 1.00 0.00 O ATOM 366 CB ASN A 27 4.250 -15.403 5.791 1.00 0.00 C ATOM 367 CG ASN A 27 3.020 -15.990 6.455 1.00 0.00 C ATOM 368 OD1 ASN A 27 2.682 -15.638 7.585 1.00 0.00 O ATOM 369 ND2 ASN A 27 2.342 -16.892 5.753 1.00 0.00 N ATOM 0 H ASN A 27 2.001 -13.371 5.205 1.00 0.00 H new ATOM 0 HA ASN A 27 4.054 -13.281 6.070 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.565 -16.054 4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.069 -15.374 6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.505 -17.322 6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.658 -17.154 4.819 1.00 0.00 H new ATOM 376 N GLN A 28 4.854 -12.547 3.497 1.00 0.00 N ATOM 377 CA GLN A 28 5.804 -12.096 2.487 1.00 0.00 C ATOM 378 C GLN A 28 5.701 -10.589 2.277 1.00 0.00 C ATOM 379 O GLN A 28 4.612 -10.016 2.241 1.00 0.00 O ATOM 380 CB GLN A 28 5.559 -12.825 1.165 1.00 0.00 C ATOM 381 CG GLN A 28 5.907 -11.996 -0.061 1.00 0.00 C ATOM 382 CD GLN A 28 6.265 -12.851 -1.261 1.00 0.00 C ATOM 383 OE1 GLN A 28 5.665 -13.901 -1.491 1.00 0.00 O ATOM 384 NE2 GLN A 28 7.247 -12.403 -2.035 1.00 0.00 N ATOM 0 H GLN A 28 4.023 -11.962 3.586 1.00 0.00 H new ATOM 0 HA GLN A 28 6.809 -12.327 2.841 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.147 -13.743 1.151 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.510 -13.117 1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.061 -11.357 -0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.744 -11.339 0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.717 -11.527 -1.807 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.531 -12.935 -2.858 1.00 0.00 H new ATOM 393 N PRO A 29 6.861 -9.930 2.134 1.00 0.00 N ATOM 394 CA PRO A 29 6.927 -8.481 1.925 1.00 0.00 C ATOM 395 C PRO A 29 6.412 -8.070 0.550 1.00 0.00 C ATOM 396 O PRO A 29 7.005 -8.410 -0.473 1.00 0.00 O ATOM 397 CB PRO A 29 8.421 -8.173 2.050 1.00 0.00 C ATOM 398 CG PRO A 29 9.103 -9.448 1.691 1.00 0.00 C ATOM 399 CD PRO A 29 8.196 -10.550 2.166 1.00 0.00 C ATOM 0 HA PRO A 29 6.304 -7.938 2.636 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.716 -7.365 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.677 -7.859 3.062 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.267 -9.514 0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.081 -9.515 2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.249 -11.423 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.460 -10.884 3.169 1.00 0.00 H new ATOM 407 N ALA A 30 5.304 -7.335 0.534 1.00 0.00 N ATOM 408 CA ALA A 30 4.711 -6.875 -0.715 1.00 0.00 C ATOM 409 C ALA A 30 4.530 -5.361 -0.713 1.00 0.00 C ATOM 410 O ALA A 30 4.156 -4.773 0.302 1.00 0.00 O ATOM 411 CB ALA A 30 3.376 -7.568 -0.952 1.00 0.00 C ATOM 0 H ALA A 30 4.800 -7.046 1.372 1.00 0.00 H new ATOM 0 HA ALA A 30 5.391 -7.132 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.944 -7.215 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.530 -8.646 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.697 -7.340 -0.130 1.00 0.00 H new ATOM 417 N SER A 31 4.798 -4.736 -1.855 1.00 0.00 N ATOM 418 CA SER A 31 4.669 -3.289 -1.982 1.00 0.00 C ATOM 419 C SER A 31 3.994 -2.918 -3.299 1.00 0.00 C ATOM 420 O SER A 31 3.805 -3.764 -4.173 1.00 0.00 O ATOM 421 CB SER A 31 6.045 -2.624 -1.896 1.00 0.00 C ATOM 422 OG SER A 31 6.650 -2.537 -3.174 1.00 0.00 O ATOM 0 H SER A 31 5.106 -5.209 -2.705 1.00 0.00 H new ATOM 0 HA SER A 31 4.048 -2.930 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.944 -1.626 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.687 -3.194 -1.224 1.00 0.00 H new ATOM 0 HG SER A 31 7.527 -2.107 -3.092 1.00 0.00 H new ATOM 428 N PHE A 32 3.632 -1.646 -3.433 1.00 0.00 N ATOM 429 CA PHE A 32 2.977 -1.161 -4.642 1.00 0.00 C ATOM 430 C PHE A 32 3.426 0.259 -4.972 1.00 0.00 C ATOM 431 O PHE A 32 3.937 0.975 -4.112 1.00 0.00 O ATOM 432 CB PHE A 32 1.456 -1.201 -4.475 1.00 0.00 C ATOM 433 CG PHE A 32 0.975 -0.546 -3.212 1.00 0.00 C ATOM 434 CD1 PHE A 32 0.892 0.834 -3.121 1.00 0.00 C ATOM 435 CD2 PHE A 32 0.606 -1.309 -2.116 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.449 1.441 -1.961 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.162 -0.708 -0.954 1.00 0.00 C ATOM 438 CZ PHE A 32 0.085 0.669 -0.875 1.00 0.00 C ATOM 0 H PHE A 32 3.781 -0.933 -2.719 1.00 0.00 H new ATOM 0 HA PHE A 32 3.263 -1.814 -5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.991 -0.709 -5.330 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.124 -2.239 -4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.177 1.443 -3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.666 -2.386 -2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.388 2.518 -1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.125 -1.315 -0.108 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.259 1.141 0.034 1.00 0.00 H new ATOM 448 N ALA A 33 3.232 0.659 -6.225 1.00 0.00 N ATOM 449 CA ALA A 33 3.615 1.993 -6.669 1.00 0.00 C ATOM 450 C ALA A 33 2.417 2.936 -6.672 1.00 0.00 C ATOM 451 O ALA A 33 1.282 2.511 -6.890 1.00 0.00 O ATOM 452 CB ALA A 33 4.243 1.929 -8.054 1.00 0.00 C ATOM 0 H ALA A 33 2.812 0.078 -6.950 1.00 0.00 H new ATOM 0 HA ALA A 33 4.351 2.385 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.524 2.933 -8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.130 1.297 -8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.525 1.512 -8.760 1.00 0.00 H new ATOM 458 N ILE A 34 2.676 4.216 -6.429 1.00 0.00 N ATOM 459 CA ILE A 34 1.618 5.218 -6.405 1.00 0.00 C ATOM 460 C ILE A 34 1.915 6.355 -7.378 1.00 0.00 C ATOM 461 O ILE A 34 2.931 7.040 -7.256 1.00 0.00 O ATOM 462 CB ILE A 34 1.428 5.802 -4.993 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.052 4.695 -4.006 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.364 6.890 -5.008 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.085 5.138 -2.560 1.00 0.00 C ATOM 0 H ILE A 34 3.610 4.584 -6.246 1.00 0.00 H new ATOM 0 HA ILE A 34 0.700 4.715 -6.708 1.00 0.00 H new ATOM 0 HB ILE A 34 2.369 6.246 -4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.052 4.332 -4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.735 3.856 -4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.241 7.293 -4.003 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.670 7.689 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.582 6.469 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.808 4.303 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.090 5.474 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.381 5.957 -2.414 1.00 0.00 H new ATOM 477 N ARG A 35 1.021 6.551 -8.341 1.00 0.00 N ATOM 478 CA ARG A 35 1.187 7.605 -9.334 1.00 0.00 C ATOM 479 C ARG A 35 0.619 8.927 -8.824 1.00 0.00 C ATOM 480 O ARG A 35 -0.476 8.969 -8.263 1.00 0.00 O ATOM 481 CB ARG A 35 0.500 7.215 -10.644 1.00 0.00 C ATOM 482 CG ARG A 35 0.017 8.404 -11.457 1.00 0.00 C ATOM 483 CD ARG A 35 0.009 8.095 -12.946 1.00 0.00 C ATOM 484 NE ARG A 35 -0.693 9.120 -13.714 1.00 0.00 N ATOM 485 CZ ARG A 35 -1.008 8.989 -14.998 1.00 0.00 C ATOM 486 NH1 ARG A 35 -0.685 7.883 -15.654 1.00 0.00 N ATOM 487 NH2 ARG A 35 -1.647 9.967 -15.628 1.00 0.00 N ATOM 0 H ARG A 35 0.174 5.994 -8.455 1.00 0.00 H new ATOM 0 HA ARG A 35 2.254 7.733 -9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.194 6.631 -11.248 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.349 6.570 -10.421 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.987 8.681 -11.137 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.661 9.262 -11.266 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.035 8.013 -13.305 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.466 7.128 -13.113 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.956 9.983 -13.239 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.193 7.130 -15.173 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.928 7.785 -16.640 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.896 10.819 -15.126 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.889 9.866 -16.614 1.00 0.00 H new ATOM 501 N LEU A 36 1.372 10.003 -9.022 1.00 0.00 N ATOM 502 CA LEU A 36 0.945 11.327 -8.582 1.00 0.00 C ATOM 503 C LEU A 36 0.635 12.224 -9.776 1.00 0.00 C ATOM 504 O LEU A 36 1.505 12.497 -10.602 1.00 0.00 O ATOM 505 CB LEU A 36 2.026 11.971 -7.713 1.00 0.00 C ATOM 506 CG LEU A 36 2.470 11.169 -6.489 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.594 11.887 -5.758 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.293 10.927 -5.555 1.00 0.00 C ATOM 0 H LEU A 36 2.281 9.985 -9.484 1.00 0.00 H new ATOM 0 HA LEU A 36 0.036 11.211 -7.993 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.900 12.159 -8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.662 12.941 -7.374 1.00 0.00 H new ATOM 0 HG LEU A 36 2.844 10.203 -6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.896 11.301 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.445 12.008 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.247 12.867 -5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.627 10.355 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.889 11.884 -5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.519 10.369 -6.082 1.00 0.00 H new ATOM 520 N ASN A 37 -0.610 12.682 -9.858 1.00 0.00 N ATOM 521 CA ASN A 37 -1.035 13.550 -10.951 1.00 0.00 C ATOM 522 C ASN A 37 -0.704 15.008 -10.647 1.00 0.00 C ATOM 523 O ASN A 37 -1.277 15.922 -11.237 1.00 0.00 O ATOM 524 CB ASN A 37 -2.537 13.397 -11.197 1.00 0.00 C ATOM 525 CG ASN A 37 -2.877 12.105 -11.913 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.998 12.074 -13.138 1.00 0.00 O ATOM 527 ND2 ASN A 37 -3.034 11.029 -11.151 1.00 0.00 N ATOM 0 H ASN A 37 -1.342 12.467 -9.181 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.495 13.253 -11.850 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.064 13.430 -10.243 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.893 14.241 -11.787 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.264 10.131 -11.577 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.924 11.100 -10.139 1.00 0.00 H new ATOM 534 N GLY A 38 0.227 15.217 -9.721 1.00 0.00 N ATOM 535 CA GLY A 38 0.620 16.566 -9.355 1.00 0.00 C ATOM 536 C GLY A 38 0.100 16.970 -7.989 1.00 0.00 C ATOM 537 O GLY A 38 -0.176 18.144 -7.746 1.00 0.00 O ATOM 0 H GLY A 38 0.716 14.477 -9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.708 16.639 -9.363 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.248 17.265 -10.104 1.00 0.00 H new ATOM 541 N ALA A 39 -0.035 15.995 -7.097 1.00 0.00 N ATOM 542 CA ALA A 39 -0.525 16.255 -5.749 1.00 0.00 C ATOM 543 C ALA A 39 0.616 16.239 -4.737 1.00 0.00 C ATOM 544 O ALA A 39 1.316 15.237 -4.591 1.00 0.00 O ATOM 545 CB ALA A 39 -1.587 15.234 -5.366 1.00 0.00 C ATOM 0 H ALA A 39 0.188 15.017 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.972 17.249 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.943 15.441 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.421 15.296 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.158 14.232 -5.401 1.00 0.00 H new ATOM 551 N LYS A 40 0.799 17.356 -4.041 1.00 0.00 N ATOM 552 CA LYS A 40 1.854 17.471 -3.042 1.00 0.00 C ATOM 553 C LYS A 40 1.279 17.862 -1.685 1.00 0.00 C ATOM 554 O LYS A 40 0.533 18.834 -1.572 1.00 0.00 O ATOM 555 CB LYS A 40 2.893 18.505 -3.484 1.00 0.00 C ATOM 556 CG LYS A 40 2.310 19.887 -3.727 1.00 0.00 C ATOM 557 CD LYS A 40 3.195 20.712 -4.646 1.00 0.00 C ATOM 558 CE LYS A 40 2.815 20.519 -6.106 1.00 0.00 C ATOM 559 NZ LYS A 40 3.388 21.585 -6.974 1.00 0.00 N ATOM 0 H LYS A 40 0.230 18.195 -4.151 1.00 0.00 H new ATOM 0 HA LYS A 40 2.336 16.498 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.669 18.576 -2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.374 18.157 -4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.317 19.792 -4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.190 20.405 -2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.111 21.767 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.237 20.429 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.166 19.545 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.729 20.517 -6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.106 21.418 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.033 22.512 -6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.425 21.570 -6.903 1.00 0.00 H new ATOM 573 N GLY A 41 1.632 17.098 -0.655 1.00 0.00 N ATOM 574 CA GLY A 41 1.142 17.381 0.681 1.00 0.00 C ATOM 575 C GLY A 41 1.606 16.357 1.698 1.00 0.00 C ATOM 576 O GLY A 41 2.641 16.534 2.341 1.00 0.00 O ATOM 0 H GLY A 41 2.249 16.288 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.480 18.371 0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.052 17.407 0.667 1.00 0.00 H new ATOM 580 N LYS A 42 0.838 15.283 1.846 1.00 0.00 N ATOM 581 CA LYS A 42 1.175 14.226 2.792 1.00 0.00 C ATOM 582 C LYS A 42 0.568 12.895 2.359 1.00 0.00 C ATOM 583 O LYS A 42 -0.620 12.817 2.044 1.00 0.00 O ATOM 584 CB LYS A 42 0.681 14.591 4.194 1.00 0.00 C ATOM 585 CG LYS A 42 1.521 13.994 5.309 1.00 0.00 C ATOM 586 CD LYS A 42 2.741 14.849 5.608 1.00 0.00 C ATOM 587 CE LYS A 42 2.407 15.981 6.568 1.00 0.00 C ATOM 588 NZ LYS A 42 2.197 15.487 7.956 1.00 0.00 N ATOM 0 H LYS A 42 -0.022 15.122 1.323 1.00 0.00 H new ATOM 0 HA LYS A 42 2.260 14.122 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.674 15.676 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.349 14.254 4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.915 13.896 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.839 12.990 5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.526 14.227 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.133 15.262 4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.215 16.713 6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.509 16.494 6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.225 16.289 8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.272 15.016 8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.948 14.810 8.201 1.00 0.00 H new ATOM 602 N ILE A 43 1.390 11.851 2.346 1.00 0.00 N ATOM 603 CA ILE A 43 0.933 10.524 1.954 1.00 0.00 C ATOM 604 C ILE A 43 0.919 9.573 3.147 1.00 0.00 C ATOM 605 O ILE A 43 1.944 9.359 3.795 1.00 0.00 O ATOM 606 CB ILE A 43 1.821 9.927 0.847 1.00 0.00 C ATOM 607 CG1 ILE A 43 1.950 10.910 -0.319 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.250 8.600 0.368 1.00 0.00 C ATOM 609 CD1 ILE A 43 3.078 10.575 -1.270 1.00 0.00 C ATOM 0 H ILE A 43 2.376 11.899 2.603 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.081 10.640 1.572 1.00 0.00 H new ATOM 0 HB ILE A 43 2.815 9.746 1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.012 10.929 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.106 11.913 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.889 8.190 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.205 7.901 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.247 8.757 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.110 11.313 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.025 10.585 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.913 9.585 -1.695 1.00 0.00 H new ATOM 621 N ASP A 44 -0.247 9.004 3.428 1.00 0.00 N ATOM 622 CA ASP A 44 -0.395 8.072 4.541 1.00 0.00 C ATOM 623 C ASP A 44 -0.907 6.721 4.054 1.00 0.00 C ATOM 624 O ASP A 44 -1.873 6.649 3.294 1.00 0.00 O ATOM 625 CB ASP A 44 -1.349 8.646 5.590 1.00 0.00 C ATOM 626 CG ASP A 44 -1.312 7.868 6.892 1.00 0.00 C ATOM 627 OD1 ASP A 44 -1.920 6.778 6.949 1.00 0.00 O ATOM 628 OD2 ASP A 44 -0.676 8.349 7.852 1.00 0.00 O ATOM 0 H ASP A 44 -1.104 9.171 2.901 1.00 0.00 H new ATOM 0 HA ASP A 44 0.586 7.926 4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.088 9.686 5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.365 8.640 5.195 1.00 0.00 H new ATOM 633 N ALA A 45 -0.254 5.651 4.496 1.00 0.00 N ATOM 634 CA ALA A 45 -0.644 4.302 4.106 1.00 0.00 C ATOM 635 C ALA A 45 -0.485 3.327 5.268 1.00 0.00 C ATOM 636 O ALA A 45 0.631 3.027 5.692 1.00 0.00 O ATOM 637 CB ALA A 45 0.177 3.840 2.911 1.00 0.00 C ATOM 0 H ALA A 45 0.548 5.693 5.125 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.697 4.322 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.125 2.831 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.010 4.515 2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.235 3.843 3.174 1.00 0.00 H new ATOM 643 N LYS A 46 -1.608 2.836 5.781 1.00 0.00 N ATOM 644 CA LYS A 46 -1.595 1.895 6.894 1.00 0.00 C ATOM 645 C LYS A 46 -2.397 0.642 6.556 1.00 0.00 C ATOM 646 O LYS A 46 -3.407 0.710 5.856 1.00 0.00 O ATOM 647 CB LYS A 46 -2.163 2.553 8.153 1.00 0.00 C ATOM 648 CG LYS A 46 -1.190 3.498 8.837 1.00 0.00 C ATOM 649 CD LYS A 46 -1.857 4.262 9.968 1.00 0.00 C ATOM 650 CE LYS A 46 -0.861 4.627 11.058 1.00 0.00 C ATOM 651 NZ LYS A 46 -0.052 5.823 10.694 1.00 0.00 N ATOM 0 H LYS A 46 -2.540 3.075 5.443 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.561 1.605 7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.066 3.103 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.458 1.776 8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.345 2.931 9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.791 4.202 8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.316 5.169 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.658 3.658 10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.395 4.820 11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.197 3.782 11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.614 6.039 11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.478 5.631 9.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.683 6.636 10.544 1.00 0.00 H new ATOM 665 N VAL A 47 -1.941 -0.501 7.060 1.00 0.00 N ATOM 666 CA VAL A 47 -2.618 -1.768 6.814 1.00 0.00 C ATOM 667 C VAL A 47 -3.528 -2.140 7.980 1.00 0.00 C ATOM 668 O VAL A 47 -3.087 -2.213 9.127 1.00 0.00 O ATOM 669 CB VAL A 47 -1.608 -2.908 6.582 1.00 0.00 C ATOM 670 CG1 VAL A 47 -0.904 -3.271 7.880 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.304 -4.122 5.985 1.00 0.00 C ATOM 0 H VAL A 47 -1.106 -0.575 7.641 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.219 -1.636 5.915 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.855 -2.564 5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.195 -4.078 7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.371 -2.400 8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.641 -3.596 8.615 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.576 -4.918 5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.079 -4.469 6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.756 -3.850 5.031 1.00 0.00 H new ATOM 681 N HIS A 48 -4.801 -2.377 7.677 1.00 0.00 N ATOM 682 CA HIS A 48 -5.774 -2.743 8.700 1.00 0.00 C ATOM 683 C HIS A 48 -5.875 -4.259 8.835 1.00 0.00 C ATOM 684 O HIS A 48 -5.631 -4.995 7.880 1.00 0.00 O ATOM 685 CB HIS A 48 -7.145 -2.157 8.363 1.00 0.00 C ATOM 686 CG HIS A 48 -7.216 -0.669 8.521 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.977 -0.052 9.492 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.615 0.325 7.827 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.841 1.258 9.387 1.00 0.00 C ATOM 690 NE2 HIS A 48 -7.020 1.513 8.384 1.00 0.00 N ATOM 0 H HIS A 48 -5.182 -2.322 6.732 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.436 -2.332 9.651 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.400 -2.418 7.336 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.896 -2.618 9.004 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -8.554 -0.532 10.183 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.942 0.206 6.991 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.320 1.995 10.015 1.00 0.00 H new ATOM 698 N SER A 49 -6.236 -4.719 10.029 1.00 0.00 N ATOM 699 CA SER A 49 -6.365 -6.148 10.291 1.00 0.00 C ATOM 700 C SER A 49 -7.710 -6.463 10.938 1.00 0.00 C ATOM 701 O SER A 49 -8.314 -5.628 11.613 1.00 0.00 O ATOM 702 CB SER A 49 -5.227 -6.627 11.194 1.00 0.00 C ATOM 703 OG SER A 49 -5.535 -6.412 12.561 1.00 0.00 O ATOM 0 H SER A 49 -6.444 -4.123 10.830 1.00 0.00 H new ATOM 0 HA SER A 49 -6.309 -6.673 9.338 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.044 -7.688 11.022 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.308 -6.099 10.938 1.00 0.00 H new ATOM 0 HG SER A 49 -5.426 -7.250 13.057 1.00 0.00 H new ATOM 709 N PRO A 50 -8.192 -7.697 10.728 1.00 0.00 N ATOM 710 CA PRO A 50 -9.471 -8.151 11.282 1.00 0.00 C ATOM 711 C PRO A 50 -9.418 -8.324 12.796 1.00 0.00 C ATOM 712 O PRO A 50 -10.398 -8.735 13.418 1.00 0.00 O ATOM 713 CB PRO A 50 -9.694 -9.502 10.598 1.00 0.00 C ATOM 714 CG PRO A 50 -8.327 -9.977 10.244 1.00 0.00 C ATOM 715 CD PRO A 50 -7.527 -8.743 9.934 1.00 0.00 C ATOM 0 HA PRO A 50 -10.270 -7.431 11.106 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.197 -10.204 11.263 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.319 -9.398 9.711 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.882 -10.534 11.069 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.357 -10.648 9.386 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.481 -8.860 10.219 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.543 -8.511 8.869 1.00 0.00 H new ATOM 723 N SER A 51 -8.269 -8.007 13.384 1.00 0.00 N ATOM 724 CA SER A 51 -8.087 -8.130 14.825 1.00 0.00 C ATOM 725 C SER A 51 -8.081 -6.757 15.491 1.00 0.00 C ATOM 726 O SER A 51 -7.617 -6.604 16.620 1.00 0.00 O ATOM 727 CB SER A 51 -6.783 -8.866 15.136 1.00 0.00 C ATOM 728 OG SER A 51 -5.717 -8.372 14.343 1.00 0.00 O ATOM 0 H SER A 51 -7.449 -7.663 12.884 1.00 0.00 H new ATOM 0 HA SER A 51 -8.923 -8.705 15.224 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.539 -8.750 16.192 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.912 -9.933 14.954 1.00 0.00 H new ATOM 0 HG SER A 51 -4.894 -8.858 14.562 1.00 0.00 H new ATOM 734 N GLY A 52 -8.599 -5.759 14.781 1.00 0.00 N ATOM 735 CA GLY A 52 -8.644 -4.412 15.318 1.00 0.00 C ATOM 736 C GLY A 52 -7.264 -3.800 15.464 1.00 0.00 C ATOM 737 O GLY A 52 -7.042 -2.951 16.327 1.00 0.00 O ATOM 0 H GLY A 52 -8.988 -5.860 13.844 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.250 -3.784 14.665 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.136 -4.428 16.291 1.00 0.00 H new ATOM 741 N ALA A 53 -6.334 -4.233 14.619 1.00 0.00 N ATOM 742 CA ALA A 53 -4.970 -3.722 14.657 1.00 0.00 C ATOM 743 C ALA A 53 -4.602 -3.038 13.345 1.00 0.00 C ATOM 744 O ALA A 53 -5.100 -3.406 12.281 1.00 0.00 O ATOM 745 CB ALA A 53 -3.993 -4.849 14.959 1.00 0.00 C ATOM 0 H ALA A 53 -6.501 -4.937 13.900 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.909 -2.979 15.452 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.978 -4.453 14.984 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.235 -5.291 15.926 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.066 -5.611 14.183 1.00 0.00 H new ATOM 751 N VAL A 54 -3.729 -2.040 13.428 1.00 0.00 N ATOM 752 CA VAL A 54 -3.294 -1.304 12.246 1.00 0.00 C ATOM 753 C VAL A 54 -1.777 -1.155 12.219 1.00 0.00 C ATOM 754 O VAL A 54 -1.196 -0.468 13.058 1.00 0.00 O ATOM 755 CB VAL A 54 -3.938 0.094 12.188 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.456 0.853 10.961 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.455 -0.017 12.194 1.00 0.00 C ATOM 0 H VAL A 54 -3.309 -1.722 14.301 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.615 -1.880 11.378 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.634 0.652 13.074 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.921 1.838 10.937 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.373 0.964 11.004 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.728 0.301 10.061 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.893 0.980 12.153 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.781 -0.593 11.328 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.780 -0.518 13.106 1.00 0.00 H new ATOM 767 N GLU A 55 -1.142 -1.803 11.247 1.00 0.00 N ATOM 768 CA GLU A 55 0.308 -1.742 11.111 1.00 0.00 C ATOM 769 C GLU A 55 0.716 -0.665 10.110 1.00 0.00 C ATOM 770 O GLU A 55 0.072 -0.488 9.077 1.00 0.00 O ATOM 771 CB GLU A 55 0.859 -3.099 10.668 1.00 0.00 C ATOM 772 CG GLU A 55 1.173 -4.035 11.823 1.00 0.00 C ATOM 773 CD GLU A 55 -0.051 -4.775 12.324 1.00 0.00 C ATOM 774 OE1 GLU A 55 -0.484 -5.732 11.647 1.00 0.00 O ATOM 775 OE2 GLU A 55 -0.577 -4.399 13.393 1.00 0.00 O ATOM 0 H GLU A 55 -1.609 -2.375 10.543 1.00 0.00 H new ATOM 0 HA GLU A 55 0.727 -1.487 12.084 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.135 -3.578 10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.765 -2.940 10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.925 -4.757 11.506 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.607 -3.462 12.642 1.00 0.00 H new ATOM 782 N GLU A 56 1.790 0.052 10.425 1.00 0.00 N ATOM 783 CA GLU A 56 2.283 1.113 9.554 1.00 0.00 C ATOM 784 C GLU A 56 3.123 0.537 8.418 1.00 0.00 C ATOM 785 O GLU A 56 4.051 -0.239 8.649 1.00 0.00 O ATOM 786 CB GLU A 56 3.111 2.119 10.357 1.00 0.00 C ATOM 787 CG GLU A 56 2.302 3.297 10.874 1.00 0.00 C ATOM 788 CD GLU A 56 3.172 4.480 11.253 1.00 0.00 C ATOM 789 OE1 GLU A 56 3.506 5.282 10.356 1.00 0.00 O ATOM 790 OE2 GLU A 56 3.520 4.603 12.446 1.00 0.00 O ATOM 0 H GLU A 56 2.335 -0.082 11.276 1.00 0.00 H new ATOM 0 HA GLU A 56 1.422 1.624 9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.571 1.606 11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.921 2.492 9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.588 3.606 10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.724 2.983 11.743 1.00 0.00 H new ATOM 797 N CYS A 57 2.791 0.923 7.191 1.00 0.00 N ATOM 798 CA CYS A 57 3.514 0.445 6.017 1.00 0.00 C ATOM 799 C CYS A 57 4.732 1.318 5.736 1.00 0.00 C ATOM 800 O CYS A 57 4.725 2.519 6.008 1.00 0.00 O ATOM 801 CB CYS A 57 2.592 0.427 4.797 1.00 0.00 C ATOM 802 SG CYS A 57 1.105 -0.580 5.010 1.00 0.00 S ATOM 0 H CYS A 57 2.026 1.565 6.983 1.00 0.00 H new ATOM 0 HA CYS A 57 3.856 -0.570 6.220 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.295 1.450 4.564 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.150 0.054 3.938 1.00 0.00 H new ATOM 0 HG CYS A 57 0.388 -0.530 3.926 1.00 0.00 H new ATOM 808 N HIS A 58 5.779 0.706 5.192 1.00 0.00 N ATOM 809 CA HIS A 58 7.007 1.427 4.875 1.00 0.00 C ATOM 810 C HIS A 58 6.792 2.374 3.698 1.00 0.00 C ATOM 811 O HIS A 58 6.767 1.949 2.543 1.00 0.00 O ATOM 812 CB HIS A 58 8.133 0.444 4.555 1.00 0.00 C ATOM 813 CG HIS A 58 9.490 1.077 4.523 1.00 0.00 C ATOM 814 ND1 HIS A 58 9.785 2.187 3.761 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.635 0.750 5.167 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.052 2.515 3.936 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.591 1.658 4.785 1.00 0.00 N ATOM 0 H HIS A 58 5.802 -0.287 4.961 1.00 0.00 H new ATOM 0 HA HIS A 58 7.288 2.017 5.747 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.130 -0.353 5.298 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.935 -0.021 3.589 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.771 -0.072 5.854 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.561 3.343 3.465 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.560 1.669 5.104 1.00 0.00 H new ATOM 825 N VAL A 59 6.637 3.659 4.000 1.00 0.00 N ATOM 826 CA VAL A 59 6.425 4.666 2.967 1.00 0.00 C ATOM 827 C VAL A 59 7.729 5.371 2.611 1.00 0.00 C ATOM 828 O VAL A 59 8.248 6.170 3.390 1.00 0.00 O ATOM 829 CB VAL A 59 5.391 5.718 3.413 1.00 0.00 C ATOM 830 CG1 VAL A 59 4.972 6.586 2.236 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.184 5.042 4.045 1.00 0.00 C ATOM 0 H VAL A 59 6.654 4.027 4.951 1.00 0.00 H new ATOM 0 HA VAL A 59 6.046 4.144 2.089 1.00 0.00 H new ATOM 0 HB VAL A 59 5.852 6.362 4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.242 7.323 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.846 7.098 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.528 5.960 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.463 5.799 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.720 4.374 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.503 4.468 4.915 1.00 0.00 H new ATOM 841 N SER A 60 8.254 5.070 1.427 1.00 0.00 N ATOM 842 CA SER A 60 9.500 5.672 0.968 1.00 0.00 C ATOM 843 C SER A 60 9.273 6.489 -0.300 1.00 0.00 C ATOM 844 O SER A 60 8.476 6.113 -1.159 1.00 0.00 O ATOM 845 CB SER A 60 10.549 4.589 0.710 1.00 0.00 C ATOM 846 OG SER A 60 11.857 5.134 0.720 1.00 0.00 O ATOM 0 H SER A 60 7.836 4.413 0.769 1.00 0.00 H new ATOM 0 HA SER A 60 9.862 6.340 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.469 3.812 1.471 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.357 4.114 -0.252 1.00 0.00 H new ATOM 0 HG SER A 60 12.509 4.422 0.555 1.00 0.00 H new ATOM 852 N GLU A 61 9.981 7.609 -0.410 1.00 0.00 N ATOM 853 CA GLU A 61 9.856 8.480 -1.573 1.00 0.00 C ATOM 854 C GLU A 61 11.096 8.387 -2.458 1.00 0.00 C ATOM 855 O GLU A 61 12.129 8.992 -2.165 1.00 0.00 O ATOM 856 CB GLU A 61 9.639 9.929 -1.132 1.00 0.00 C ATOM 857 CG GLU A 61 9.690 10.928 -2.275 1.00 0.00 C ATOM 858 CD GLU A 61 9.547 12.362 -1.804 1.00 0.00 C ATOM 859 OE1 GLU A 61 8.577 12.651 -1.073 1.00 0.00 O ATOM 860 OE2 GLU A 61 10.404 13.195 -2.167 1.00 0.00 O ATOM 0 H GLU A 61 10.646 7.934 0.291 1.00 0.00 H new ATOM 0 HA GLU A 61 8.992 8.150 -2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.672 10.008 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.398 10.193 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.635 10.817 -2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.895 10.702 -2.986 1.00 0.00 H new ATOM 867 N LEU A 62 10.987 7.625 -3.540 1.00 0.00 N ATOM 868 CA LEU A 62 12.099 7.451 -4.468 1.00 0.00 C ATOM 869 C LEU A 62 12.060 8.507 -5.569 1.00 0.00 C ATOM 870 O LEU A 62 13.088 9.077 -5.931 1.00 0.00 O ATOM 871 CB LEU A 62 12.060 6.052 -5.086 1.00 0.00 C ATOM 872 CG LEU A 62 11.481 4.945 -4.205 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.581 3.599 -4.904 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.195 4.905 -2.862 1.00 0.00 C ATOM 0 H LEU A 62 10.140 7.118 -3.797 1.00 0.00 H new ATOM 0 HA LEU A 62 13.028 7.569 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.477 6.099 -6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.075 5.772 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 62 10.427 5.161 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.164 2.824 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.024 3.633 -5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.627 3.374 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.770 4.111 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.256 4.713 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.071 5.862 -2.355 1.00 0.00 H new ATOM 886 N GLU A 63 10.866 8.763 -6.094 1.00 0.00 N ATOM 887 CA GLU A 63 10.694 9.751 -7.152 1.00 0.00 C ATOM 888 C GLU A 63 9.645 10.789 -6.761 1.00 0.00 C ATOM 889 O GLU A 63 8.699 10.506 -6.026 1.00 0.00 O ATOM 890 CB GLU A 63 10.287 9.067 -8.459 1.00 0.00 C ATOM 891 CG GLU A 63 10.949 7.715 -8.669 1.00 0.00 C ATOM 892 CD GLU A 63 12.436 7.830 -8.943 1.00 0.00 C ATOM 893 OE1 GLU A 63 12.807 8.452 -9.960 1.00 0.00 O ATOM 894 OE2 GLU A 63 13.229 7.297 -8.139 1.00 0.00 O ATOM 0 H GLU A 63 10.004 8.300 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 63 11.647 10.259 -7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.205 8.938 -8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.539 9.720 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.793 7.097 -7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.468 7.205 -9.503 1.00 0.00 H new ATOM 901 N PRO A 64 9.816 12.021 -7.264 1.00 0.00 N ATOM 902 CA PRO A 64 8.896 13.126 -6.982 1.00 0.00 C ATOM 903 C PRO A 64 7.538 12.935 -7.650 1.00 0.00 C ATOM 904 O PRO A 64 6.616 13.723 -7.441 1.00 0.00 O ATOM 905 CB PRO A 64 9.614 14.344 -7.567 1.00 0.00 C ATOM 906 CG PRO A 64 10.497 13.788 -8.630 1.00 0.00 C ATOM 907 CD PRO A 64 10.921 12.429 -8.147 1.00 0.00 C ATOM 0 HA PRO A 64 8.679 13.214 -5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.905 15.063 -7.977 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.192 14.867 -6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.967 13.717 -9.580 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.362 14.431 -8.795 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.053 11.732 -8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.869 12.471 -7.611 1.00 0.00 H new ATOM 915 N ASP A 65 7.423 11.885 -8.455 1.00 0.00 N ATOM 916 CA ASP A 65 6.178 11.589 -9.154 1.00 0.00 C ATOM 917 C ASP A 65 5.724 10.160 -8.876 1.00 0.00 C ATOM 918 O ASP A 65 4.643 9.747 -9.296 1.00 0.00 O ATOM 919 CB ASP A 65 6.350 11.800 -10.659 1.00 0.00 C ATOM 920 CG ASP A 65 7.366 10.850 -11.263 1.00 0.00 C ATOM 921 OD1 ASP A 65 8.488 10.759 -10.723 1.00 0.00 O ATOM 922 OD2 ASP A 65 7.038 10.198 -12.276 1.00 0.00 O ATOM 0 H ASP A 65 8.177 11.224 -8.640 1.00 0.00 H new ATOM 0 HA ASP A 65 5.413 12.272 -8.785 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.389 11.663 -11.155 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.661 12.828 -10.846 1.00 0.00 H new ATOM 927 N LYS A 66 6.558 9.407 -8.166 1.00 0.00 N ATOM 928 CA LYS A 66 6.245 8.023 -7.831 1.00 0.00 C ATOM 929 C LYS A 66 6.718 7.684 -6.421 1.00 0.00 C ATOM 930 O LYS A 66 7.769 8.150 -5.980 1.00 0.00 O ATOM 931 CB LYS A 66 6.893 7.073 -8.841 1.00 0.00 C ATOM 932 CG LYS A 66 6.269 5.688 -8.860 1.00 0.00 C ATOM 933 CD LYS A 66 7.019 4.752 -9.793 1.00 0.00 C ATOM 934 CE LYS A 66 6.636 3.300 -9.551 1.00 0.00 C ATOM 935 NZ LYS A 66 7.604 2.359 -10.179 1.00 0.00 N ATOM 0 H LYS A 66 7.457 9.733 -7.811 1.00 0.00 H new ATOM 0 HA LYS A 66 5.163 7.902 -7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.819 7.509 -9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.955 6.981 -8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.268 5.274 -7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.228 5.761 -9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.804 5.019 -10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.092 4.875 -9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.589 3.111 -8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.639 3.116 -9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.308 1.380 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.630 2.522 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.551 2.517 -9.779 1.00 0.00 H new ATOM 949 N TYR A 67 5.938 6.869 -5.720 1.00 0.00 N ATOM 950 CA TYR A 67 6.277 6.468 -4.360 1.00 0.00 C ATOM 951 C TYR A 67 6.176 4.955 -4.197 1.00 0.00 C ATOM 952 O TYR A 67 5.528 4.276 -4.992 1.00 0.00 O ATOM 953 CB TYR A 67 5.356 7.164 -3.356 1.00 0.00 C ATOM 954 CG TYR A 67 5.688 8.623 -3.140 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.648 9.528 -4.193 1.00 0.00 C ATOM 956 CD2 TYR A 67 6.041 9.096 -1.882 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.951 10.862 -4.000 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.344 10.428 -1.680 1.00 0.00 C ATOM 959 CZ TYR A 67 6.298 11.307 -2.742 1.00 0.00 C ATOM 960 OH TYR A 67 6.601 12.635 -2.544 1.00 0.00 O ATOM 0 H TYR A 67 5.066 6.473 -6.071 1.00 0.00 H new ATOM 0 HA TYR A 67 7.307 6.768 -4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.326 7.082 -3.703 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.413 6.642 -2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.375 9.183 -5.179 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.079 8.410 -1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.916 11.552 -4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.616 10.780 -0.696 1.00 0.00 H new ATOM 0 HH TYR A 67 7.133 12.731 -1.726 1.00 0.00 H new ATOM 970 N ALA A 68 6.822 4.434 -3.159 1.00 0.00 N ATOM 971 CA ALA A 68 6.803 3.002 -2.888 1.00 0.00 C ATOM 972 C ALA A 68 6.291 2.716 -1.481 1.00 0.00 C ATOM 973 O ALA A 68 6.750 3.316 -0.508 1.00 0.00 O ATOM 974 CB ALA A 68 8.193 2.411 -3.077 1.00 0.00 C ATOM 0 H ALA A 68 7.365 4.982 -2.492 1.00 0.00 H new ATOM 0 HA ALA A 68 6.121 2.532 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.164 1.341 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.521 2.575 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.890 2.894 -2.392 1.00 0.00 H new ATOM 980 N VAL A 69 5.337 1.795 -1.379 1.00 0.00 N ATOM 981 CA VAL A 69 4.763 1.429 -0.090 1.00 0.00 C ATOM 982 C VAL A 69 4.896 -0.068 0.166 1.00 0.00 C ATOM 983 O VAL A 69 4.167 -0.874 -0.412 1.00 0.00 O ATOM 984 CB VAL A 69 3.276 1.824 -0.005 1.00 0.00 C ATOM 985 CG1 VAL A 69 2.767 1.686 1.422 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.071 3.241 -0.519 1.00 0.00 C ATOM 0 H VAL A 69 4.946 1.289 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 69 5.320 1.975 0.671 1.00 0.00 H new ATOM 0 HB VAL A 69 2.701 1.147 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.715 1.969 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.877 0.652 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.344 2.338 2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.015 3.503 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.656 3.935 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.394 3.301 -1.558 1.00 0.00 H new ATOM 996 N ARG A 70 5.831 -0.433 1.037 1.00 0.00 N ATOM 997 CA ARG A 70 6.060 -1.834 1.369 1.00 0.00 C ATOM 998 C ARG A 70 5.307 -2.222 2.638 1.00 0.00 C ATOM 999 O ARG A 70 5.272 -1.465 3.609 1.00 0.00 O ATOM 1000 CB ARG A 70 7.556 -2.099 1.551 1.00 0.00 C ATOM 1001 CG ARG A 70 7.959 -3.536 1.266 1.00 0.00 C ATOM 1002 CD ARG A 70 9.178 -3.944 2.077 1.00 0.00 C ATOM 1003 NE ARG A 70 10.422 -3.481 1.467 1.00 0.00 N ATOM 1004 CZ ARG A 70 10.942 -4.011 0.365 1.00 0.00 C ATOM 1005 NH1 ARG A 70 10.328 -5.015 -0.245 1.00 0.00 N ATOM 1006 NH2 ARG A 70 12.077 -3.534 -0.129 1.00 0.00 N ATOM 0 H ARG A 70 6.442 0.222 1.525 1.00 0.00 H new ATOM 0 HA ARG A 70 5.687 -2.442 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.117 -1.436 0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.839 -1.847 2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.127 -4.201 1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.172 -3.651 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.095 -3.537 3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.203 -5.030 2.172 1.00 0.00 H new ATOM 0 HE ARG A 70 10.919 -2.709 1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.454 -5.383 0.131 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.729 -5.420 -1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.551 -2.760 0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.476 -3.941 -0.975 1.00 0.00 H new ATOM 1020 N PHE A 71 4.703 -3.406 2.622 1.00 0.00 N ATOM 1021 CA PHE A 71 3.948 -3.894 3.771 1.00 0.00 C ATOM 1022 C PHE A 71 3.850 -5.416 3.749 1.00 0.00 C ATOM 1023 O PHE A 71 4.102 -6.051 2.724 1.00 0.00 O ATOM 1024 CB PHE A 71 2.546 -3.281 3.784 1.00 0.00 C ATOM 1025 CG PHE A 71 1.644 -3.824 2.713 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.927 -3.605 1.374 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.514 -4.553 3.044 1.00 0.00 C ATOM 1028 CE1 PHE A 71 1.099 -4.104 0.385 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.317 -5.055 2.060 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.025 -4.829 0.729 1.00 0.00 C ATOM 0 H PHE A 71 4.722 -4.045 1.827 1.00 0.00 H new ATOM 0 HA PHE A 71 4.476 -3.594 4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.089 -3.460 4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.629 -2.201 3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.804 -3.038 1.100 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.279 -4.731 4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.331 -3.927 -0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.194 -5.624 2.332 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.674 -5.218 -0.041 1.00 0.00 H new ATOM 1040 N ILE A 72 3.482 -5.996 4.887 1.00 0.00 N ATOM 1041 CA ILE A 72 3.350 -7.443 4.999 1.00 0.00 C ATOM 1042 C ILE A 72 1.890 -7.850 5.175 1.00 0.00 C ATOM 1043 O ILE A 72 1.358 -7.879 6.285 1.00 0.00 O ATOM 1044 CB ILE A 72 4.170 -7.993 6.180 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.545 -7.324 6.230 1.00 0.00 C ATOM 1046 CG2 ILE A 72 4.314 -9.504 6.067 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.235 -7.460 7.569 1.00 0.00 C ATOM 0 H ILE A 72 3.270 -5.486 5.744 1.00 0.00 H new ATOM 0 HA ILE A 72 3.734 -7.868 4.071 1.00 0.00 H new ATOM 0 HB ILE A 72 3.642 -7.766 7.106 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.180 -7.758 5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.434 -6.266 5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.896 -9.878 6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.326 -9.965 6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.823 -9.752 5.136 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.204 -6.962 7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.621 -7.000 8.343 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.378 -8.516 7.799 1.00 0.00 H new ATOM 1059 N PRO A 73 1.227 -8.173 4.055 1.00 0.00 N ATOM 1060 CA PRO A 73 -0.179 -8.586 4.059 1.00 0.00 C ATOM 1061 C PRO A 73 -0.377 -9.961 4.690 1.00 0.00 C ATOM 1062 O PRO A 73 -0.308 -10.984 4.008 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.543 -8.623 2.573 1.00 0.00 C ATOM 1064 CG PRO A 73 0.752 -8.853 1.872 1.00 0.00 C ATOM 1065 CD PRO A 73 1.799 -8.160 2.698 1.00 0.00 C ATOM 0 HA PRO A 73 -0.800 -7.910 4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.256 -9.420 2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.005 -7.688 2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.965 -9.918 1.786 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.724 -8.451 0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.754 -8.685 2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.979 -7.144 2.348 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.625 -9.977 5.996 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.834 -11.227 6.718 1.00 0.00 C ATOM 1075 C HIS A 74 -2.184 -11.224 7.429 1.00 0.00 C ATOM 1076 O HIS A 74 -2.353 -10.568 8.456 1.00 0.00 O ATOM 1077 CB HIS A 74 0.288 -11.448 7.732 1.00 0.00 C ATOM 1078 CG HIS A 74 0.828 -10.179 8.315 1.00 0.00 C ATOM 1079 ND1 HIS A 74 0.197 -9.135 8.902 1.00 0.00 N flip ATOM 1080 CD2 HIS A 74 2.172 -9.870 8.333 1.00 0.00 C flip ATOM 1081 CE1 HIS A 74 1.160 -8.226 9.261 1.00 0.00 C flip ATOM 1082 NE2 HIS A 74 2.344 -8.693 8.907 1.00 0.00 N flip ATOM 0 H HIS A 74 -0.686 -9.140 6.575 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.826 -12.042 5.994 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.082 -12.080 8.539 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.101 -11.991 7.249 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.808 -9.042 9.050 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.961 -10.493 7.939 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.979 -7.282 9.753 1.00 0.00 H new ATOM 1090 N GLU A 75 -3.142 -11.960 6.873 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.477 -12.040 7.454 1.00 0.00 C ATOM 1092 C GLU A 75 -5.077 -13.429 7.250 1.00 0.00 C ATOM 1093 O GLU A 75 -4.466 -14.294 6.625 1.00 0.00 O ATOM 1094 CB GLU A 75 -5.391 -10.982 6.833 1.00 0.00 C ATOM 1095 CG GLU A 75 -5.054 -9.562 7.258 1.00 0.00 C ATOM 1096 CD GLU A 75 -6.170 -8.582 6.952 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -7.314 -9.034 6.735 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -5.900 -7.363 6.929 1.00 0.00 O ATOM 0 H GLU A 75 -3.018 -12.509 6.022 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.392 -11.854 8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.328 -11.052 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.423 -11.199 7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.845 -9.547 8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.144 -9.241 6.751 1.00 0.00 H new ATOM 1105 N ASN A 76 -6.277 -13.632 7.783 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.959 -14.915 7.661 1.00 0.00 C ATOM 1107 C ASN A 76 -8.090 -14.835 6.639 1.00 0.00 C ATOM 1108 O ASN A 76 -8.872 -15.772 6.489 1.00 0.00 O ATOM 1109 CB ASN A 76 -7.514 -15.352 9.019 1.00 0.00 C ATOM 1110 CG ASN A 76 -8.925 -14.849 9.256 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -9.086 -13.531 9.281 1.00 0.00 O flip ATOM 1112 ND2 ASN A 76 -9.858 -15.636 9.414 1.00 0.00 N flip ATOM 0 H ASN A 76 -6.797 -12.925 8.303 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.234 -15.653 7.317 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.504 -16.440 9.079 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.862 -14.983 9.811 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.687 -16.641 9.387 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.802 -15.283 9.572 1.00 0.00 H new ATOM 1119 N GLY A 77 -8.167 -13.708 5.938 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.204 -13.527 4.939 1.00 0.00 C ATOM 1121 C GLY A 77 -8.914 -12.367 4.007 1.00 0.00 C ATOM 1122 O GLY A 77 -7.976 -12.420 3.212 1.00 0.00 O ATOM 0 H GLY A 77 -7.531 -12.918 6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.306 -14.442 4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.159 -13.359 5.437 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.723 -11.316 4.102 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.549 -10.139 3.260 1.00 0.00 C ATOM 1128 C VAL A 78 -8.895 -9.000 4.036 1.00 0.00 C ATOM 1129 O VAL A 78 -9.208 -8.772 5.205 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.895 -9.652 2.692 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.719 -8.327 1.965 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.493 -10.701 1.767 1.00 0.00 C ATOM 0 H VAL A 78 -10.505 -11.256 4.754 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.900 -10.433 2.435 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.585 -9.496 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.680 -7.998 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.337 -7.579 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.014 -8.454 1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.444 -10.340 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.808 -10.891 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.656 -11.625 2.322 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.987 -8.288 3.378 1.00 0.00 N ATOM 1143 CA HIS A 79 -7.289 -7.171 4.005 1.00 0.00 C ATOM 1144 C HIS A 79 -7.920 -5.842 3.604 1.00 0.00 C ATOM 1145 O HIS A 79 -8.653 -5.762 2.617 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.810 -7.184 3.619 1.00 0.00 C ATOM 1147 CG HIS A 79 -5.175 -8.537 3.723 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -4.020 -8.773 4.438 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.543 -9.730 3.199 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.703 -10.053 4.348 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.611 -10.655 3.602 1.00 0.00 N ATOM 0 H HIS A 79 -7.717 -8.464 2.410 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.375 -7.282 5.086 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.707 -6.821 2.596 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.270 -6.488 4.260 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.493 -8.070 4.955 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.408 -9.919 2.580 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.847 -10.526 4.807 1.00 0.00 H new ATOM 1159 N THR A 80 -7.632 -4.798 4.375 1.00 0.00 N ATOM 1160 CA THR A 80 -8.173 -3.473 4.102 1.00 0.00 C ATOM 1161 C THR A 80 -7.089 -2.406 4.199 1.00 0.00 C ATOM 1162 O THR A 80 -6.642 -2.060 5.294 1.00 0.00 O ATOM 1163 CB THR A 80 -9.314 -3.119 5.074 1.00 0.00 C ATOM 1164 OG1 THR A 80 -10.376 -4.071 4.950 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.845 -1.721 4.800 1.00 0.00 C ATOM 0 H THR A 80 -7.026 -4.845 5.194 1.00 0.00 H new ATOM 0 HA THR A 80 -8.567 -3.497 3.086 1.00 0.00 H new ATOM 0 HB THR A 80 -8.918 -3.147 6.089 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.097 -3.840 5.572 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.650 -1.494 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.041 -0.996 4.924 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.225 -1.670 3.780 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.669 -1.888 3.050 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.638 -0.858 3.007 1.00 0.00 C ATOM 1175 C ILE A 81 -6.228 0.522 3.278 1.00 0.00 C ATOM 1176 O ILE A 81 -7.339 0.829 2.848 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.919 -0.838 1.646 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.275 -2.198 1.364 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.873 0.266 1.616 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -3.740 -2.333 -0.044 1.00 0.00 C ATOM 0 H ILE A 81 -7.027 -2.165 2.136 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.916 -1.101 3.787 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.654 -0.637 0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.461 -2.359 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.010 -2.983 1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.373 0.267 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.356 1.230 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.139 0.093 2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.298 -3.321 -0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.555 -2.204 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.981 -1.571 -0.219 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.475 1.350 3.994 1.00 0.00 N ATOM 1193 CA ASP A 82 -5.921 2.700 4.320 1.00 0.00 C ATOM 1194 C ASP A 82 -4.978 3.742 3.727 1.00 0.00 C ATOM 1195 O ASP A 82 -3.861 3.930 4.208 1.00 0.00 O ATOM 1196 CB ASP A 82 -6.008 2.878 5.837 1.00 0.00 C ATOM 1197 CG ASP A 82 -6.201 4.326 6.239 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -5.351 5.164 5.870 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -7.202 4.624 6.923 1.00 0.00 O ATOM 0 H ASP A 82 -4.553 1.110 4.360 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.911 2.844 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.836 2.283 6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.098 2.494 6.298 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.436 4.417 2.677 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.635 5.441 2.017 1.00 0.00 C ATOM 1206 C VAL A 83 -5.276 6.817 2.159 1.00 0.00 C ATOM 1207 O VAL A 83 -6.311 7.097 1.555 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.445 5.127 0.521 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.544 6.164 -0.132 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.878 3.727 0.339 1.00 0.00 C ATOM 0 H VAL A 83 -6.358 4.273 2.265 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.661 5.445 2.506 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.419 5.167 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.421 5.926 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.994 7.152 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.570 6.159 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.750 3.522 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.913 3.657 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.564 2.998 0.769 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.653 7.673 2.961 1.00 0.00 N ATOM 1221 CA LYS A 84 -5.160 9.022 3.182 1.00 0.00 C ATOM 1222 C LYS A 84 -4.182 10.065 2.651 1.00 0.00 C ATOM 1223 O LYS A 84 -2.970 9.944 2.833 1.00 0.00 O ATOM 1224 CB LYS A 84 -5.411 9.257 4.674 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.778 8.787 5.141 1.00 0.00 C ATOM 1226 CD LYS A 84 -7.158 9.414 6.472 1.00 0.00 C ATOM 1227 CE LYS A 84 -6.410 8.767 7.627 1.00 0.00 C ATOM 1228 NZ LYS A 84 -5.003 9.247 7.716 1.00 0.00 N ATOM 0 H LYS A 84 -3.796 7.457 3.469 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.101 9.122 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.642 8.741 5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.309 10.321 4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.527 9.041 4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.778 7.701 5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.939 10.482 6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.232 9.312 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.927 8.984 8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.417 7.684 7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.360 8.501 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.887 10.094 7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.778 9.481 8.704 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.715 11.090 1.994 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.889 12.154 1.437 1.00 0.00 C ATOM 1244 C PHE A 85 -4.392 13.524 1.884 1.00 0.00 C ATOM 1245 O PHE A 85 -5.507 13.925 1.554 1.00 0.00 O ATOM 1246 CB PHE A 85 -3.881 12.075 -0.091 1.00 0.00 C ATOM 1247 CG PHE A 85 -2.879 12.991 -0.734 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -1.563 12.591 -0.903 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -3.252 14.253 -1.168 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -0.639 13.432 -1.493 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -2.332 15.098 -1.759 1.00 0.00 C ATOM 1252 CZ PHE A 85 -1.024 14.687 -1.923 1.00 0.00 C ATOM 0 H PHE A 85 -5.716 11.206 1.834 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.872 12.022 1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.669 11.049 -0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.876 12.318 -0.465 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.256 11.611 -0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.274 14.580 -1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.384 13.108 -1.618 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.636 16.079 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.304 15.345 -2.386 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.560 14.236 2.638 1.00 0.00 N ATOM 1263 CA ASN A 86 -3.920 15.560 3.132 1.00 0.00 C ATOM 1264 C ASN A 86 -5.260 15.523 3.860 1.00 0.00 C ATOM 1265 O ASN A 86 -6.127 16.366 3.631 1.00 0.00 O ATOM 1266 CB ASN A 86 -3.983 16.559 1.975 1.00 0.00 C ATOM 1267 CG ASN A 86 -2.635 17.185 1.678 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -1.618 16.802 2.257 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -2.620 18.155 0.771 1.00 0.00 N ATOM 0 H ASN A 86 -2.633 13.918 2.920 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.152 15.879 3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.351 16.054 1.082 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.700 17.344 2.215 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.742 18.614 0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.487 18.441 0.316 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.423 14.539 4.739 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.660 14.410 5.488 1.00 0.00 C ATOM 1278 C GLY A 87 -7.856 14.158 4.593 1.00 0.00 C ATOM 1279 O GLY A 87 -8.803 14.945 4.575 1.00 0.00 O ATOM 0 H GLY A 87 -4.721 13.829 4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.565 13.592 6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.828 15.319 6.066 1.00 0.00 H new ATOM 1283 N SER A 88 -7.814 13.059 3.846 1.00 0.00 N ATOM 1284 CA SER A 88 -8.901 12.708 2.940 1.00 0.00 C ATOM 1285 C SER A 88 -8.663 11.340 2.310 1.00 0.00 C ATOM 1286 O SER A 88 -7.657 11.121 1.634 1.00 0.00 O ATOM 1287 CB SER A 88 -9.043 13.768 1.846 1.00 0.00 C ATOM 1288 OG SER A 88 -10.087 13.437 0.947 1.00 0.00 O ATOM 0 H SER A 88 -7.039 12.396 3.851 1.00 0.00 H new ATOM 0 HA SER A 88 -9.824 12.666 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.244 14.739 2.300 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.104 13.859 1.300 1.00 0.00 H new ATOM 0 HG SER A 88 -10.158 14.131 0.259 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.596 10.420 2.536 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.488 9.072 1.991 1.00 0.00 C ATOM 1296 C HIS A 89 -9.626 9.088 0.472 1.00 0.00 C ATOM 1297 O HIS A 89 -10.726 9.234 -0.061 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.558 8.165 2.602 1.00 0.00 C ATOM 1299 CG HIS A 89 -10.238 7.716 3.994 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.826 6.434 4.295 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -10.269 8.385 5.170 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.620 6.335 5.596 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.881 7.505 6.150 1.00 0.00 N ATOM 0 H HIS A 89 -10.435 10.584 3.093 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.503 8.682 2.245 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.511 8.695 2.610 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.686 7.289 1.967 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -10.547 9.419 5.311 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.294 5.448 6.118 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -9.806 7.720 7.144 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.501 8.937 -0.221 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.496 8.934 -1.679 1.00 0.00 C ATOM 1313 C VAL A 90 -9.656 8.113 -2.231 1.00 0.00 C ATOM 1314 O VAL A 90 -10.290 7.349 -1.505 1.00 0.00 O ATOM 1315 CB VAL A 90 -7.173 8.373 -2.234 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -6.002 9.243 -1.805 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.974 6.934 -1.781 1.00 0.00 C ATOM 0 H VAL A 90 -7.582 8.815 0.204 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.605 9.970 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.222 8.384 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.076 8.831 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.143 10.255 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.946 9.267 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.035 6.553 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.946 6.896 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.799 6.321 -2.144 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.927 8.276 -3.522 1.00 0.00 N ATOM 1328 CA VAL A 91 -11.010 7.549 -4.173 1.00 0.00 C ATOM 1329 C VAL A 91 -10.845 6.044 -3.996 1.00 0.00 C ATOM 1330 O VAL A 91 -9.741 5.513 -4.104 1.00 0.00 O ATOM 1331 CB VAL A 91 -11.080 7.873 -5.677 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -9.780 7.489 -6.367 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -12.263 7.167 -6.320 1.00 0.00 C ATOM 0 H VAL A 91 -9.411 8.905 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.937 7.869 -3.697 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.221 8.948 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.848 7.725 -7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.954 8.046 -5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.604 6.420 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.297 7.408 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.155 6.090 -6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.186 7.497 -5.844 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.953 5.361 -3.724 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.910 3.922 -3.536 1.00 0.00 C ATOM 1345 C GLY A 92 -11.117 3.521 -2.308 1.00 0.00 C ATOM 1346 O GLY A 92 -10.438 2.494 -2.308 1.00 0.00 O ATOM 0 H GLY A 92 -12.879 5.778 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.927 3.540 -3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.469 3.457 -4.417 1.00 0.00 H new ATOM 1350 N SER A 93 -11.202 4.333 -1.260 1.00 0.00 N ATOM 1351 CA SER A 93 -10.482 4.060 -0.021 1.00 0.00 C ATOM 1352 C SER A 93 -11.448 3.940 1.154 1.00 0.00 C ATOM 1353 O SER A 93 -12.449 4.652 1.242 1.00 0.00 O ATOM 1354 CB SER A 93 -9.461 5.165 0.254 1.00 0.00 C ATOM 1355 OG SER A 93 -8.787 4.942 1.480 1.00 0.00 O ATOM 0 H SER A 93 -11.762 5.185 -1.243 1.00 0.00 H new ATOM 0 HA SER A 93 -9.958 3.111 -0.136 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.737 5.207 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.965 6.131 0.283 1.00 0.00 H new ATOM 0 HG SER A 93 -9.223 5.456 2.191 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.142 3.019 2.079 1.00 0.00 N ATOM 1362 CA PRO A 94 -9.954 2.166 1.984 1.00 0.00 C ATOM 1363 C PRO A 94 -10.063 1.143 0.859 1.00 0.00 C ATOM 1364 O PRO A 94 -11.154 0.869 0.358 1.00 0.00 O ATOM 1365 CB PRO A 94 -9.911 1.464 3.343 1.00 0.00 C ATOM 1366 CG PRO A 94 -11.324 1.468 3.816 1.00 0.00 C ATOM 1367 CD PRO A 94 -11.933 2.738 3.288 1.00 0.00 C ATOM 0 HA PRO A 94 -9.056 2.742 1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.527 0.448 3.252 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.259 1.990 4.040 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.862 0.594 3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.371 1.435 4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.990 2.610 3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.862 3.549 4.012 1.00 0.00 H new ATOM 1375 N PHE A 95 -8.925 0.579 0.466 1.00 0.00 N ATOM 1376 CA PHE A 95 -8.894 -0.415 -0.601 1.00 0.00 C ATOM 1377 C PHE A 95 -8.980 -1.828 -0.031 1.00 0.00 C ATOM 1378 O PHE A 95 -8.671 -2.059 1.138 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.616 -0.264 -1.430 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.626 0.934 -2.335 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -8.211 0.866 -3.589 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -7.052 2.129 -1.931 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -8.221 1.968 -4.424 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -7.060 3.234 -2.762 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.646 3.153 -4.010 1.00 0.00 C ATOM 0 H PHE A 95 -8.013 0.793 0.870 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.758 -0.249 -1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.762 -0.193 -0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.474 -1.162 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.664 -0.058 -3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.593 2.198 -0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.679 1.902 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.609 4.159 -2.436 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.654 4.015 -4.661 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.403 -2.771 -0.866 1.00 0.00 N ATOM 1396 CA LYS A 96 -9.531 -4.162 -0.448 1.00 0.00 C ATOM 1397 C LYS A 96 -8.718 -5.080 -1.356 1.00 0.00 C ATOM 1398 O LYS A 96 -8.669 -4.884 -2.570 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.001 -4.587 -0.460 1.00 0.00 C ATOM 1400 CG LYS A 96 -11.653 -4.484 -1.828 1.00 0.00 C ATOM 1401 CD LYS A 96 -12.906 -5.339 -1.915 1.00 0.00 C ATOM 1402 CE LYS A 96 -14.112 -4.621 -1.328 1.00 0.00 C ATOM 1403 NZ LYS A 96 -14.733 -3.687 -2.308 1.00 0.00 N ATOM 0 H LYS A 96 -9.663 -2.597 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.143 -4.247 0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.076 -5.616 -0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.555 -3.967 0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.906 -3.444 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.944 -4.797 -2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.103 -5.592 -2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.745 -6.277 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.851 -5.355 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.808 -4.066 -0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.551 -3.218 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.036 -2.971 -2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.047 -4.220 -3.144 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.082 -6.083 -0.760 1.00 0.00 N ATOM 1418 CA VAL A 97 -7.273 -7.032 -1.515 1.00 0.00 C ATOM 1419 C VAL A 97 -7.316 -8.418 -0.880 1.00 0.00 C ATOM 1420 O VAL A 97 -7.234 -8.555 0.340 1.00 0.00 O ATOM 1421 CB VAL A 97 -5.808 -6.569 -1.612 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -5.720 -5.215 -2.300 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.174 -6.516 -0.230 1.00 0.00 C ATOM 0 H VAL A 97 -8.111 -6.260 0.244 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.697 -7.081 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.256 -7.291 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.677 -4.904 -2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.134 -5.290 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.286 -4.479 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.139 -6.187 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.726 -5.816 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.203 -7.508 0.222 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.444 -9.442 -1.717 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.499 -10.818 -1.238 1.00 0.00 C ATOM 1435 C ARG A 98 -6.140 -11.499 -1.383 1.00 0.00 C ATOM 1436 O ARG A 98 -5.631 -11.662 -2.492 1.00 0.00 O ATOM 1437 CB ARG A 98 -8.561 -11.607 -2.006 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.144 -12.769 -1.219 1.00 0.00 C ATOM 1439 CD ARG A 98 -10.164 -13.542 -2.040 1.00 0.00 C ATOM 1440 NE ARG A 98 -10.341 -14.906 -1.551 1.00 0.00 N ATOM 1441 CZ ARG A 98 -11.020 -15.840 -2.208 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -11.582 -15.559 -3.375 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -11.137 -17.059 -1.697 1.00 0.00 N ATOM 0 H ARG A 98 -7.512 -9.345 -2.730 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.766 -10.797 -0.181 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.367 -10.932 -2.292 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.122 -11.988 -2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.342 -13.439 -0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.615 -12.394 -0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.121 -13.021 -2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.845 -13.569 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.920 -15.156 -0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.494 -14.623 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.103 -16.278 -3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.706 -17.279 -0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.658 -17.776 -2.202 1.00 0.00 H new ATOM 1457 N VAL A 99 -5.558 -11.893 -0.255 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.260 -12.556 -0.256 1.00 0.00 C ATOM 1459 C VAL A 99 -4.375 -13.990 -0.762 1.00 0.00 C ATOM 1460 O VAL A 99 -5.256 -14.738 -0.342 1.00 0.00 O ATOM 1461 CB VAL A 99 -3.635 -12.569 1.152 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.184 -13.729 1.969 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.118 -12.641 1.060 1.00 0.00 C ATOM 0 H VAL A 99 -5.965 -11.764 0.671 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.615 -11.988 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.902 -11.641 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.731 -13.722 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.265 -13.628 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.949 -14.669 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.693 -12.649 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.828 -13.551 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.745 -11.774 0.515 1.00 0.00 H new ATOM 1473 N GLY A 100 -3.478 -14.366 -1.668 1.00 0.00 N ATOM 1474 CA GLY A 100 -3.496 -15.709 -2.217 1.00 0.00 C ATOM 1475 C GLY A 100 -2.875 -15.780 -3.598 1.00 0.00 C ATOM 1476 O GLY A 100 -3.156 -14.941 -4.454 1.00 0.00 O ATOM 0 H GLY A 100 -2.739 -13.764 -2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.959 -16.380 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.525 -16.064 -2.266 1.00 0.00 H new