USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 984 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 55 MET CE :methyl -166:sc= -0.531 (180deg=-0.871) USER MOD Set 1.2: A 93 SER OG : rot 75:sc= -0.78! USER MOD Set 2.1: A 5 LYS NZ :NH3+ -179:sc= 2.31 (180deg=1.22) USER MOD Set 2.2: A 29 GLN : amide:sc= 0.145! C(o=2.5!,f=-3.9!) USER MOD Set 3.1: A 20 ASN : amide:sc= 0.999 K(o=1.3,f=-2.7!) USER MOD Set 3.2: A 24 ASN : amide:sc= 0.0683 K(o=1.3,f=0.58) USER MOD Set 3.3: A 30 THR OG1 : rot -149:sc= 1.02 USER MOD Set 3.4: A 32 GLN :FLIP amide:sc= -0.779 F(o=-3.6!,f=1.3) USER MOD Single : A 12 GLN : amide:sc= -0.93 K(o=-0.93,f=-4.3!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -177:sc= -0.349 USER MOD Single : A 35 ASN :FLIP amide:sc= -1.99 F(o=-7.1!,f=-2) USER MOD Single : A 38 GLN :FLIP amide:sc= -4.76! C(o=-8.1!,f=-4.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.16) USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00763) USER MOD Single : A 60 MET CE :methyl -169:sc=-0.00216 (180deg=-0.166) USER MOD Single : A 67 LYS NZ :NH3+ 151:sc= 1.25 (180deg=1.13) USER MOD Single : A 69 MET CE :methyl 149:sc= -7.54! (180deg=-9.96!) USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 1.34 (180deg=1.26) USER MOD Single : A 75 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.021) USER MOD Single : A 81 MET CE :methyl -148:sc= -2.06! (180deg=-2.57) USER MOD Single : A 82 THR OG1 : rot 48:sc= -0.191 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -159:sc= -0.159 (180deg=-0.825) USER MOD Single : A 91 GLN :FLIP amide:sc= -1.3 F(o=-1.8!,f=-1.3) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 145:sc= -2.99! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -119:sc= 1.16 (180deg=0.365) USER MOD Single : A 117 LYS NZ :NH3+ -160:sc= 1.32 (180deg=1.12) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 8.010 9.136 -3.362 1.00 0.57 N ATOM 52 CA GLU A 4 7.699 7.777 -2.911 1.00 0.38 C ATOM 53 C GLU A 4 6.781 7.803 -1.672 1.00 0.32 C ATOM 54 O GLU A 4 7.217 8.070 -0.554 1.00 0.50 O ATOM 55 CB GLU A 4 9.025 7.007 -2.686 1.00 0.52 C ATOM 56 CG GLU A 4 8.919 5.717 -1.896 1.00 0.64 C ATOM 57 CD GLU A 4 10.144 4.822 -2.015 1.00 1.56 C ATOM 58 OE1 GLU A 4 10.313 4.163 -3.061 1.00 1.85 O ATOM 59 OE2 GLU A 4 10.950 4.784 -1.063 1.00 2.30 O ATOM 0 HA GLU A 4 7.135 7.243 -3.676 1.00 0.38 H new ATOM 0 HB2 GLU A 4 9.459 6.779 -3.659 1.00 0.52 H new ATOM 0 HB3 GLU A 4 9.723 7.668 -2.172 1.00 0.52 H new ATOM 0 HG2 GLU A 4 8.757 5.958 -0.845 1.00 0.64 H new ATOM 0 HG3 GLU A 4 8.043 5.165 -2.235 1.00 0.64 H new ATOM 66 N LYS A 5 5.486 7.549 -1.892 1.00 0.21 N ATOM 67 CA LYS A 5 4.470 7.696 -0.838 1.00 0.14 C ATOM 68 C LYS A 5 3.521 6.510 -0.809 1.00 0.11 C ATOM 69 O LYS A 5 3.147 5.968 -1.851 1.00 0.12 O ATOM 70 CB LYS A 5 3.648 8.958 -1.074 1.00 0.16 C ATOM 71 CG LYS A 5 2.875 9.395 0.157 1.00 0.16 C ATOM 72 CD LYS A 5 3.385 10.716 0.693 1.00 0.30 C ATOM 73 CE LYS A 5 3.221 11.854 -0.295 1.00 0.54 C ATOM 74 NZ LYS A 5 3.732 13.133 0.270 1.00 0.80 N ATOM 0 H LYS A 5 5.114 7.240 -2.790 1.00 0.21 H new ATOM 0 HA LYS A 5 4.999 7.755 0.113 1.00 0.14 H new ATOM 0 HB2 LYS A 5 4.311 9.765 -1.387 1.00 0.16 H new ATOM 0 HB3 LYS A 5 2.950 8.784 -1.893 1.00 0.16 H new ATOM 0 HG2 LYS A 5 1.817 9.485 -0.090 1.00 0.16 H new ATOM 0 HG3 LYS A 5 2.958 8.631 0.930 1.00 0.16 H new ATOM 0 HD2 LYS A 5 2.853 10.960 1.612 1.00 0.30 H new ATOM 0 HD3 LYS A 5 4.439 10.615 0.952 1.00 0.30 H new ATOM 0 HE2 LYS A 5 3.756 11.620 -1.216 1.00 0.54 H new ATOM 0 HE3 LYS A 5 2.169 11.963 -0.557 1.00 0.54 H new ATOM 0 HZ1 LYS A 5 3.592 13.898 -0.420 1.00 0.80 H new ATOM 0 HZ2 LYS A 5 3.216 13.357 1.145 1.00 0.80 H new ATOM 0 HZ3 LYS A 5 4.746 13.039 0.481 1.00 0.80 H new ATOM 88 N ILE A 6 3.093 6.157 0.393 1.00 0.10 N ATOM 89 CA ILE A 6 2.235 5.009 0.594 1.00 0.09 C ATOM 90 C ILE A 6 1.113 5.318 1.571 1.00 0.08 C ATOM 91 O ILE A 6 1.200 6.233 2.384 1.00 0.08 O ATOM 92 CB ILE A 6 3.054 3.788 1.075 1.00 0.10 C ATOM 93 CG1 ILE A 6 3.458 2.929 -0.111 1.00 0.14 C ATOM 94 CG2 ILE A 6 2.308 2.952 2.109 1.00 0.10 C ATOM 95 CD1 ILE A 6 4.530 1.936 0.240 1.00 0.20 C ATOM 0 H ILE A 6 3.331 6.657 1.249 1.00 0.10 H new ATOM 0 HA ILE A 6 1.782 4.765 -0.367 1.00 0.09 H new ATOM 0 HB ILE A 6 3.948 4.173 1.566 1.00 0.10 H new ATOM 0 HG12 ILE A 6 2.583 2.398 -0.486 1.00 0.14 H new ATOM 0 HG13 ILE A 6 3.811 3.571 -0.918 1.00 0.14 H new ATOM 0 HG21 ILE A 6 2.929 2.109 2.411 1.00 0.10 H new ATOM 0 HG22 ILE A 6 2.082 3.567 2.980 1.00 0.10 H new ATOM 0 HG23 ILE A 6 1.379 2.582 1.676 1.00 0.10 H new ATOM 0 HD11 ILE A 6 4.783 1.347 -0.642 1.00 0.20 H new ATOM 0 HD12 ILE A 6 5.416 2.466 0.589 1.00 0.20 H new ATOM 0 HD13 ILE A 6 4.169 1.274 1.027 1.00 0.20 H new ATOM 107 N LEU A 7 0.056 4.552 1.445 1.00 0.09 N ATOM 108 CA LEU A 7 -1.100 4.642 2.302 1.00 0.08 C ATOM 109 C LEU A 7 -1.473 3.231 2.722 1.00 0.09 C ATOM 110 O LEU A 7 -1.737 2.397 1.871 1.00 0.17 O ATOM 111 CB LEU A 7 -2.221 5.250 1.484 1.00 0.10 C ATOM 112 CG LEU A 7 -3.278 6.004 2.251 1.00 0.10 C ATOM 113 CD1 LEU A 7 -4.198 6.704 1.269 1.00 0.12 C ATOM 114 CD2 LEU A 7 -4.072 5.079 3.161 1.00 0.12 C ATOM 0 H LEU A 7 -0.025 3.832 0.727 1.00 0.09 H new ATOM 0 HA LEU A 7 -0.911 5.250 3.186 1.00 0.08 H new ATOM 0 HB2 LEU A 7 -1.781 5.928 0.752 1.00 0.10 H new ATOM 0 HB3 LEU A 7 -2.709 4.451 0.926 1.00 0.10 H new ATOM 0 HG LEU A 7 -2.790 6.742 2.888 1.00 0.10 H new ATOM 0 HD11 LEU A 7 -4.965 7.252 1.816 1.00 0.12 H new ATOM 0 HD12 LEU A 7 -3.620 7.400 0.661 1.00 0.12 H new ATOM 0 HD13 LEU A 7 -4.671 5.964 0.623 1.00 0.12 H new ATOM 0 HD21 LEU A 7 -4.825 5.656 3.698 1.00 0.12 H new ATOM 0 HD22 LEU A 7 -4.562 4.312 2.562 1.00 0.12 H new ATOM 0 HD23 LEU A 7 -3.399 4.606 3.876 1.00 0.12 H new ATOM 126 N ILE A 8 -1.473 2.938 4.003 1.00 0.09 N ATOM 127 CA ILE A 8 -1.798 1.581 4.429 1.00 0.10 C ATOM 128 C ILE A 8 -3.172 1.543 5.068 1.00 0.11 C ATOM 129 O ILE A 8 -3.331 1.958 6.206 1.00 0.13 O ATOM 130 CB ILE A 8 -0.785 0.997 5.435 1.00 0.12 C ATOM 131 CG1 ILE A 8 0.652 1.382 5.080 1.00 0.14 C ATOM 132 CG2 ILE A 8 -0.921 -0.516 5.493 1.00 0.15 C ATOM 133 CD1 ILE A 8 1.119 2.604 5.816 1.00 0.22 C ATOM 0 H ILE A 8 -1.259 3.594 4.754 1.00 0.09 H new ATOM 0 HA ILE A 8 -1.767 0.972 3.525 1.00 0.10 H new ATOM 0 HB ILE A 8 -1.009 1.419 6.415 1.00 0.12 H new ATOM 0 HG12 ILE A 8 1.315 0.548 5.310 1.00 0.14 H new ATOM 0 HG13 ILE A 8 0.723 1.559 4.007 1.00 0.14 H new ATOM 0 HG21 ILE A 8 -0.202 -0.919 6.206 1.00 0.15 H new ATOM 0 HG22 ILE A 8 -1.931 -0.779 5.809 1.00 0.15 H new ATOM 0 HG23 ILE A 8 -0.728 -0.937 4.506 1.00 0.15 H new ATOM 0 HD11 ILE A 8 2.145 2.833 5.527 1.00 0.22 H new ATOM 0 HD12 ILE A 8 0.475 3.447 5.567 1.00 0.22 H new ATOM 0 HD13 ILE A 8 1.077 2.420 6.890 1.00 0.22 H new ATOM 145 N VAL A 9 -4.158 1.051 4.339 1.00 0.17 N ATOM 146 CA VAL A 9 -5.512 0.948 4.863 1.00 0.18 C ATOM 147 C VAL A 9 -5.697 -0.383 5.569 1.00 0.18 C ATOM 148 O VAL A 9 -6.191 -1.328 4.974 1.00 0.28 O ATOM 149 CB VAL A 9 -6.580 1.045 3.757 1.00 0.19 C ATOM 150 CG1 VAL A 9 -7.976 1.088 4.369 1.00 0.23 C ATOM 151 CG2 VAL A 9 -6.331 2.259 2.883 1.00 0.26 C ATOM 0 H VAL A 9 -4.048 0.716 3.382 1.00 0.17 H new ATOM 0 HA VAL A 9 -5.641 1.783 5.552 1.00 0.18 H new ATOM 0 HB VAL A 9 -6.513 0.158 3.128 1.00 0.19 H new ATOM 0 HG11 VAL A 9 -8.719 1.157 3.575 1.00 0.23 H new ATOM 0 HG12 VAL A 9 -8.147 0.181 4.949 1.00 0.23 H new ATOM 0 HG13 VAL A 9 -8.061 1.957 5.021 1.00 0.23 H new ATOM 0 HG21 VAL A 9 -7.095 2.312 2.107 1.00 0.26 H new ATOM 0 HG22 VAL A 9 -6.371 3.161 3.493 1.00 0.26 H new ATOM 0 HG23 VAL A 9 -5.348 2.178 2.419 1.00 0.26 H new ATOM 161 N ASP A 10 -5.278 -0.467 6.816 1.00 0.17 N ATOM 162 CA ASP A 10 -5.429 -1.701 7.575 1.00 0.18 C ATOM 163 C ASP A 10 -5.987 -1.399 8.961 1.00 0.17 C ATOM 164 O ASP A 10 -5.595 -0.421 9.599 1.00 0.32 O ATOM 165 CB ASP A 10 -4.091 -2.438 7.686 1.00 0.30 C ATOM 166 CG ASP A 10 -4.196 -3.760 8.430 1.00 1.02 C ATOM 167 OD1 ASP A 10 -5.324 -4.254 8.640 1.00 1.26 O ATOM 168 OD2 ASP A 10 -3.143 -4.297 8.820 1.00 1.82 O ATOM 0 H ASP A 10 -4.833 0.296 7.326 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.130 -2.348 7.047 1.00 0.18 H new ATOM 0 HB2 ASP A 10 -3.700 -2.622 6.685 1.00 0.30 H new ATOM 0 HB3 ASP A 10 -3.372 -1.797 8.196 1.00 0.30 H new ATOM 173 N ASP A 11 -6.903 -2.229 9.421 1.00 0.29 N ATOM 174 CA ASP A 11 -7.496 -2.056 10.737 1.00 0.31 C ATOM 175 C ASP A 11 -6.619 -2.724 11.762 1.00 0.37 C ATOM 176 O ASP A 11 -6.571 -2.314 12.925 1.00 0.46 O ATOM 177 CB ASP A 11 -8.898 -2.648 10.800 1.00 0.36 C ATOM 178 CG ASP A 11 -9.560 -2.433 12.144 1.00 0.41 C ATOM 179 OD1 ASP A 11 -9.881 -1.273 12.471 1.00 0.44 O ATOM 180 OD2 ASP A 11 -9.777 -3.420 12.876 1.00 0.51 O ATOM 0 H ASP A 11 -7.255 -3.033 8.902 1.00 0.29 H new ATOM 0 HA ASP A 11 -7.575 -0.988 10.942 1.00 0.31 H new ATOM 0 HB2 ASP A 11 -9.513 -2.199 10.020 1.00 0.36 H new ATOM 0 HB3 ASP A 11 -8.847 -3.717 10.591 1.00 0.36 H new ATOM 185 N GLN A 12 -5.902 -3.748 11.322 1.00 0.43 N ATOM 186 CA GLN A 12 -4.923 -4.384 12.170 1.00 0.54 C ATOM 187 C GLN A 12 -3.692 -3.515 12.172 1.00 0.49 C ATOM 188 O GLN A 12 -2.693 -3.815 11.529 1.00 0.68 O ATOM 189 CB GLN A 12 -4.553 -5.777 11.680 1.00 0.79 C ATOM 190 CG GLN A 12 -5.722 -6.659 11.285 1.00 0.71 C ATOM 191 CD GLN A 12 -6.559 -7.136 12.462 1.00 1.24 C ATOM 192 OE1 GLN A 12 -6.705 -6.449 13.473 1.00 1.80 O ATOM 193 NE2 GLN A 12 -7.112 -8.333 12.332 1.00 2.07 N ATOM 0 H GLN A 12 -5.984 -4.149 10.388 1.00 0.43 H new ATOM 0 HA GLN A 12 -5.343 -4.497 13.170 1.00 0.54 H new ATOM 0 HB2 GLN A 12 -3.889 -5.677 10.822 1.00 0.79 H new ATOM 0 HB3 GLN A 12 -3.988 -6.281 12.464 1.00 0.79 H new ATOM 0 HG2 GLN A 12 -6.363 -6.109 10.595 1.00 0.71 H new ATOM 0 HG3 GLN A 12 -5.344 -7.527 10.745 1.00 0.71 H new ATOM 0 HE21 GLN A 12 -6.967 -8.872 11.478 1.00 2.07 H new ATOM 0 HE22 GLN A 12 -7.683 -8.716 13.086 1.00 2.07 H new ATOM 202 N TYR A 13 -3.809 -2.406 12.866 1.00 0.37 N ATOM 203 CA TYR A 13 -2.743 -1.409 12.949 1.00 0.31 C ATOM 204 C TYR A 13 -1.380 -2.010 13.277 1.00 0.32 C ATOM 205 O TYR A 13 -0.360 -1.372 13.029 1.00 0.32 O ATOM 206 CB TYR A 13 -3.108 -0.311 13.951 1.00 0.35 C ATOM 207 CG TYR A 13 -3.473 -0.819 15.328 1.00 0.53 C ATOM 208 CD1 TYR A 13 -2.500 -1.021 16.299 1.00 0.70 C ATOM 209 CD2 TYR A 13 -4.796 -1.085 15.659 1.00 0.86 C ATOM 210 CE1 TYR A 13 -2.835 -1.474 17.559 1.00 0.98 C ATOM 211 CE2 TYR A 13 -5.137 -1.540 16.916 1.00 1.12 C ATOM 212 CZ TYR A 13 -4.155 -1.732 17.863 1.00 1.14 C ATOM 213 OH TYR A 13 -4.495 -2.183 19.117 1.00 1.44 O ATOM 0 H TYR A 13 -4.646 -2.160 13.394 1.00 0.37 H new ATOM 0 HA TYR A 13 -2.652 -0.971 11.955 1.00 0.31 H new ATOM 0 HB2 TYR A 13 -2.266 0.376 14.042 1.00 0.35 H new ATOM 0 HB3 TYR A 13 -3.946 0.262 13.554 1.00 0.35 H new ATOM 0 HD1 TYR A 13 -1.465 -0.820 16.064 1.00 0.70 H new ATOM 0 HD2 TYR A 13 -5.569 -0.933 14.921 1.00 0.86 H new ATOM 0 HE1 TYR A 13 -2.067 -1.626 18.303 1.00 0.98 H new ATOM 0 HE2 TYR A 13 -6.170 -1.745 17.157 1.00 1.12 H new ATOM 0 HH TYR A 13 -5.465 -2.314 19.166 1.00 1.44 H new ATOM 223 N GLY A 14 -1.352 -3.219 13.831 1.00 0.35 N ATOM 224 CA GLY A 14 -0.105 -3.947 13.916 1.00 0.38 C ATOM 225 C GLY A 14 0.514 -4.097 12.538 1.00 0.35 C ATOM 226 O GLY A 14 1.509 -3.449 12.224 1.00 0.36 O ATOM 0 H GLY A 14 -2.163 -3.701 14.218 1.00 0.35 H new ATOM 0 HA2 GLY A 14 0.585 -3.423 14.577 1.00 0.38 H new ATOM 0 HA3 GLY A 14 -0.279 -4.930 14.353 1.00 0.38 H new ATOM 230 N ILE A 15 -0.118 -4.911 11.698 1.00 0.37 N ATOM 231 CA ILE A 15 0.276 -5.071 10.299 1.00 0.40 C ATOM 232 C ILE A 15 0.411 -3.728 9.590 1.00 0.30 C ATOM 233 O ILE A 15 1.211 -3.576 8.664 1.00 0.29 O ATOM 234 CB ILE A 15 -0.760 -5.945 9.550 1.00 0.54 C ATOM 235 CG1 ILE A 15 -0.814 -7.342 10.170 1.00 0.80 C ATOM 236 CG2 ILE A 15 -0.460 -6.025 8.059 1.00 0.79 C ATOM 237 CD1 ILE A 15 -2.168 -7.719 10.729 1.00 0.75 C ATOM 0 H ILE A 15 -0.920 -5.481 11.967 1.00 0.37 H new ATOM 0 HA ILE A 15 1.250 -5.559 10.290 1.00 0.40 H new ATOM 0 HB ILE A 15 -1.737 -5.473 9.656 1.00 0.54 H new ATOM 0 HG12 ILE A 15 -0.528 -8.074 9.415 1.00 0.80 H new ATOM 0 HG13 ILE A 15 -0.074 -7.402 10.968 1.00 0.80 H new ATOM 0 HG21 ILE A 15 -1.210 -6.647 7.570 1.00 0.79 H new ATOM 0 HG22 ILE A 15 -0.483 -5.024 7.629 1.00 0.79 H new ATOM 0 HG23 ILE A 15 0.527 -6.462 7.909 1.00 0.79 H new ATOM 0 HD11 ILE A 15 -2.121 -8.723 11.150 1.00 0.75 H new ATOM 0 HD12 ILE A 15 -2.449 -7.012 11.509 1.00 0.75 H new ATOM 0 HD13 ILE A 15 -2.911 -7.694 9.932 1.00 0.75 H new ATOM 249 N ARG A 16 -0.320 -2.740 10.066 1.00 0.25 N ATOM 250 CA ARG A 16 -0.391 -1.470 9.378 1.00 0.19 C ATOM 251 C ARG A 16 0.866 -0.656 9.622 1.00 0.20 C ATOM 252 O ARG A 16 1.434 -0.103 8.689 1.00 0.22 O ATOM 253 CB ARG A 16 -1.604 -0.676 9.820 1.00 0.16 C ATOM 254 CG ARG A 16 -2.176 0.171 8.710 1.00 0.14 C ATOM 255 CD ARG A 16 -2.698 1.485 9.235 1.00 0.12 C ATOM 256 NE ARG A 16 -3.756 1.320 10.225 1.00 0.16 N ATOM 257 CZ ARG A 16 -3.822 1.994 11.374 1.00 0.25 C ATOM 258 NH1 ARG A 16 -2.859 2.838 11.714 1.00 0.38 N ATOM 259 NH2 ARG A 16 -4.845 1.805 12.194 1.00 0.31 N ATOM 0 H ARG A 16 -0.871 -2.793 10.923 1.00 0.25 H new ATOM 0 HA ARG A 16 -0.480 -1.679 8.312 1.00 0.19 H new ATOM 0 HB2 ARG A 16 -2.371 -1.361 10.182 1.00 0.16 H new ATOM 0 HB3 ARG A 16 -1.329 -0.035 10.657 1.00 0.16 H new ATOM 0 HG2 ARG A 16 -1.408 0.357 7.959 1.00 0.14 H new ATOM 0 HG3 ARG A 16 -2.982 -0.371 8.215 1.00 0.14 H new ATOM 0 HD2 ARG A 16 -1.876 2.045 9.679 1.00 0.12 H new ATOM 0 HD3 ARG A 16 -3.075 2.079 8.403 1.00 0.12 H new ATOM 0 HE ARG A 16 -4.494 0.645 10.026 1.00 0.16 H new ATOM 0 HH11 ARG A 16 -2.060 2.976 11.095 1.00 0.38 H new ATOM 0 HH12 ARG A 16 -2.917 3.350 12.594 1.00 0.38 H new ATOM 0 HH21 ARG A 16 -5.582 1.144 11.947 1.00 0.31 H new ATOM 0 HH22 ARG A 16 -4.896 2.320 13.073 1.00 0.31 H new ATOM 273 N ILE A 17 1.294 -0.581 10.877 1.00 0.22 N ATOM 274 CA ILE A 17 2.523 0.122 11.218 1.00 0.25 C ATOM 275 C ILE A 17 3.714 -0.743 10.849 1.00 0.29 C ATOM 276 O ILE A 17 4.811 -0.245 10.605 1.00 0.31 O ATOM 277 CB ILE A 17 2.589 0.492 12.717 1.00 0.31 C ATOM 278 CG1 ILE A 17 2.640 -0.770 13.585 1.00 0.35 C ATOM 279 CG2 ILE A 17 1.391 1.346 13.104 1.00 0.30 C ATOM 280 CD1 ILE A 17 2.796 -0.493 15.069 1.00 0.56 C ATOM 0 H ILE A 17 0.809 -0.997 11.672 1.00 0.22 H new ATOM 0 HA ILE A 17 2.542 1.054 10.653 1.00 0.25 H new ATOM 0 HB ILE A 17 3.500 1.065 12.888 1.00 0.31 H new ATOM 0 HG12 ILE A 17 1.727 -1.344 13.427 1.00 0.35 H new ATOM 0 HG13 ILE A 17 3.470 -1.394 13.253 1.00 0.35 H new ATOM 0 HG21 ILE A 17 1.451 1.599 14.163 1.00 0.30 H new ATOM 0 HG22 ILE A 17 1.390 2.261 12.512 1.00 0.30 H new ATOM 0 HG23 ILE A 17 0.472 0.791 12.915 1.00 0.30 H new ATOM 0 HD11 ILE A 17 2.824 -1.436 15.614 1.00 0.56 H new ATOM 0 HD12 ILE A 17 3.723 0.053 15.242 1.00 0.56 H new ATOM 0 HD13 ILE A 17 1.953 0.103 15.418 1.00 0.56 H new ATOM 292 N LEU A 18 3.476 -2.046 10.821 1.00 0.32 N ATOM 293 CA LEU A 18 4.430 -2.992 10.275 1.00 0.37 C ATOM 294 C LEU A 18 4.799 -2.569 8.860 1.00 0.33 C ATOM 295 O LEU A 18 5.933 -2.164 8.598 1.00 0.32 O ATOM 296 CB LEU A 18 3.826 -4.402 10.303 1.00 0.44 C ATOM 297 CG LEU A 18 4.324 -5.380 9.236 1.00 0.49 C ATOM 298 CD1 LEU A 18 5.812 -5.652 9.397 1.00 0.53 C ATOM 299 CD2 LEU A 18 3.536 -6.680 9.302 1.00 0.58 C ATOM 0 H LEU A 18 2.620 -2.473 11.175 1.00 0.32 H new ATOM 0 HA LEU A 18 5.339 -3.005 10.876 1.00 0.37 H new ATOM 0 HB2 LEU A 18 4.022 -4.838 11.283 1.00 0.44 H new ATOM 0 HB3 LEU A 18 2.744 -4.312 10.205 1.00 0.44 H new ATOM 0 HG LEU A 18 4.168 -4.924 8.258 1.00 0.49 H new ATOM 0 HD11 LEU A 18 6.140 -6.350 8.626 1.00 0.53 H new ATOM 0 HD12 LEU A 18 6.365 -4.718 9.300 1.00 0.53 H new ATOM 0 HD13 LEU A 18 5.999 -6.084 10.380 1.00 0.53 H new ATOM 0 HD21 LEU A 18 3.901 -7.366 8.538 1.00 0.58 H new ATOM 0 HD22 LEU A 18 3.662 -7.132 10.286 1.00 0.58 H new ATOM 0 HD23 LEU A 18 2.479 -6.474 9.130 1.00 0.58 H new ATOM 311 N LEU A 19 3.823 -2.630 7.964 1.00 0.30 N ATOM 312 CA LEU A 19 4.008 -2.179 6.593 1.00 0.27 C ATOM 313 C LEU A 19 4.449 -0.721 6.564 1.00 0.22 C ATOM 314 O LEU A 19 5.310 -0.341 5.770 1.00 0.22 O ATOM 315 CB LEU A 19 2.707 -2.317 5.799 1.00 0.31 C ATOM 316 CG LEU A 19 2.113 -3.721 5.708 1.00 0.57 C ATOM 317 CD1 LEU A 19 0.723 -3.653 5.101 1.00 1.23 C ATOM 318 CD2 LEU A 19 3.013 -4.631 4.882 1.00 1.15 C ATOM 0 H LEU A 19 2.890 -2.990 8.165 1.00 0.30 H new ATOM 0 HA LEU A 19 4.779 -2.803 6.140 1.00 0.27 H new ATOM 0 HB2 LEU A 19 1.962 -1.659 6.247 1.00 0.31 H new ATOM 0 HB3 LEU A 19 2.885 -1.955 4.786 1.00 0.31 H new ATOM 0 HG LEU A 19 2.040 -4.138 6.712 1.00 0.57 H new ATOM 0 HD11 LEU A 19 0.304 -4.657 5.038 1.00 1.23 H new ATOM 0 HD12 LEU A 19 0.083 -3.031 5.727 1.00 1.23 H new ATOM 0 HD13 LEU A 19 0.783 -3.222 4.102 1.00 1.23 H new ATOM 0 HD21 LEU A 19 2.573 -5.627 4.829 1.00 1.15 H new ATOM 0 HD22 LEU A 19 3.115 -4.225 3.876 1.00 1.15 H new ATOM 0 HD23 LEU A 19 3.995 -4.693 5.350 1.00 1.15 H new ATOM 330 N ASN A 20 3.851 0.080 7.449 1.00 0.20 N ATOM 331 CA ASN A 20 4.128 1.510 7.523 1.00 0.19 C ATOM 332 C ASN A 20 5.625 1.746 7.613 1.00 0.21 C ATOM 333 O ASN A 20 6.223 2.238 6.662 1.00 0.22 O ATOM 334 CB ASN A 20 3.415 2.132 8.735 1.00 0.23 C ATOM 335 CG ASN A 20 3.396 3.650 8.713 1.00 0.32 C ATOM 336 OD1 ASN A 20 2.468 4.260 8.187 1.00 0.94 O ATOM 337 ND2 ASN A 20 4.390 4.269 9.322 1.00 0.50 N ATOM 0 H ASN A 20 3.165 -0.246 8.130 1.00 0.20 H new ATOM 0 HA ASN A 20 3.751 1.987 6.619 1.00 0.19 H new ATOM 0 HB2 ASN A 20 2.390 1.764 8.771 1.00 0.23 H new ATOM 0 HB3 ASN A 20 3.907 1.796 9.648 1.00 0.23 H new ATOM 0 HD21 ASN A 20 4.405 5.288 9.367 1.00 0.50 H new ATOM 0 HD22 ASN A 20 5.143 3.728 9.747 1.00 0.50 H new ATOM 344 N GLU A 21 6.228 1.352 8.732 1.00 0.24 N ATOM 345 CA GLU A 21 7.668 1.515 8.935 1.00 0.29 C ATOM 346 C GLU A 21 8.490 0.819 7.849 1.00 0.29 C ATOM 347 O GLU A 21 9.499 1.363 7.401 1.00 0.31 O ATOM 348 CB GLU A 21 8.093 0.988 10.309 1.00 0.35 C ATOM 349 CG GLU A 21 7.995 2.012 11.430 1.00 0.92 C ATOM 350 CD GLU A 21 6.581 2.478 11.690 1.00 1.79 C ATOM 351 OE1 GLU A 21 5.876 1.828 12.487 1.00 2.40 O ATOM 352 OE2 GLU A 21 6.176 3.502 11.106 1.00 2.46 O ATOM 0 H GLU A 21 5.741 0.916 9.515 1.00 0.24 H new ATOM 0 HA GLU A 21 7.867 2.585 8.878 1.00 0.29 H new ATOM 0 HB2 GLU A 21 7.473 0.128 10.563 1.00 0.35 H new ATOM 0 HB3 GLU A 21 9.121 0.632 10.247 1.00 0.35 H new ATOM 0 HG2 GLU A 21 8.402 1.580 12.344 1.00 0.92 H new ATOM 0 HG3 GLU A 21 8.615 2.874 11.181 1.00 0.92 H new ATOM 359 N VAL A 22 8.063 -0.373 7.424 1.00 0.28 N ATOM 360 CA VAL A 22 8.823 -1.144 6.436 1.00 0.30 C ATOM 361 C VAL A 22 9.083 -0.337 5.165 1.00 0.28 C ATOM 362 O VAL A 22 10.238 -0.114 4.800 1.00 0.34 O ATOM 363 CB VAL A 22 8.129 -2.484 6.070 1.00 0.32 C ATOM 364 CG1 VAL A 22 8.752 -3.089 4.819 1.00 0.36 C ATOM 365 CG2 VAL A 22 8.245 -3.468 7.222 1.00 0.37 C ATOM 0 H VAL A 22 7.205 -0.822 7.744 1.00 0.28 H new ATOM 0 HA VAL A 22 9.778 -1.374 6.909 1.00 0.30 H new ATOM 0 HB VAL A 22 7.076 -2.279 5.875 1.00 0.32 H new ATOM 0 HG11 VAL A 22 8.251 -4.027 4.580 1.00 0.36 H new ATOM 0 HG12 VAL A 22 8.641 -2.396 3.985 1.00 0.36 H new ATOM 0 HG13 VAL A 22 9.811 -3.278 4.995 1.00 0.36 H new ATOM 0 HG21 VAL A 22 7.754 -4.403 6.952 1.00 0.37 H new ATOM 0 HG22 VAL A 22 9.297 -3.658 7.434 1.00 0.37 H new ATOM 0 HG23 VAL A 22 7.767 -3.049 8.108 1.00 0.37 H new ATOM 375 N PHE A 23 8.026 0.123 4.507 1.00 0.23 N ATOM 376 CA PHE A 23 8.198 0.879 3.276 1.00 0.22 C ATOM 377 C PHE A 23 8.707 2.254 3.605 1.00 0.21 C ATOM 378 O PHE A 23 9.503 2.826 2.865 1.00 0.23 O ATOM 379 CB PHE A 23 6.893 1.031 2.507 1.00 0.21 C ATOM 380 CG PHE A 23 6.064 -0.216 2.444 1.00 0.26 C ATOM 381 CD1 PHE A 23 6.610 -1.410 2.007 1.00 0.35 C ATOM 382 CD2 PHE A 23 4.736 -0.190 2.830 1.00 0.27 C ATOM 383 CE1 PHE A 23 5.842 -2.554 1.957 1.00 0.43 C ATOM 384 CE2 PHE A 23 3.966 -1.330 2.781 1.00 0.35 C ATOM 385 CZ PHE A 23 4.520 -2.513 2.346 1.00 0.41 C ATOM 0 H PHE A 23 7.058 -0.011 4.799 1.00 0.23 H new ATOM 0 HA PHE A 23 8.905 0.329 2.654 1.00 0.22 H new ATOM 0 HB2 PHE A 23 6.303 1.822 2.969 1.00 0.21 H new ATOM 0 HB3 PHE A 23 7.119 1.354 1.491 1.00 0.21 H new ATOM 0 HD1 PHE A 23 7.646 -1.446 1.703 1.00 0.35 H new ATOM 0 HD2 PHE A 23 4.298 0.735 3.174 1.00 0.27 H new ATOM 0 HE1 PHE A 23 6.276 -3.481 1.613 1.00 0.43 H new ATOM 0 HE2 PHE A 23 2.930 -1.297 3.083 1.00 0.35 H new ATOM 0 HZ PHE A 23 3.919 -3.409 2.309 1.00 0.41 H new ATOM 395 N ASN A 24 8.239 2.772 4.737 1.00 0.19 N ATOM 396 CA ASN A 24 8.582 4.111 5.168 1.00 0.19 C ATOM 397 C ASN A 24 10.088 4.268 5.111 1.00 0.24 C ATOM 398 O ASN A 24 10.621 5.205 4.512 1.00 0.24 O ATOM 399 CB ASN A 24 8.067 4.357 6.597 1.00 0.21 C ATOM 400 CG ASN A 24 7.887 5.825 6.917 1.00 0.23 C ATOM 401 OD1 ASN A 24 8.827 6.509 7.323 1.00 0.28 O ATOM 402 ND2 ASN A 24 6.660 6.309 6.774 1.00 0.26 N ATOM 0 H ASN A 24 7.616 2.274 5.373 1.00 0.19 H new ATOM 0 HA ASN A 24 8.114 4.844 4.511 1.00 0.19 H new ATOM 0 HB2 ASN A 24 7.115 3.843 6.727 1.00 0.21 H new ATOM 0 HB3 ASN A 24 8.766 3.919 7.309 1.00 0.21 H new ATOM 0 HD21 ASN A 24 6.466 7.284 7.004 1.00 0.26 H new ATOM 0 HD22 ASN A 24 5.910 5.706 6.434 1.00 0.26 H new ATOM 409 N LYS A 25 10.742 3.264 5.678 1.00 0.32 N ATOM 410 CA LYS A 25 12.189 3.199 5.789 1.00 0.41 C ATOM 411 C LYS A 25 12.873 3.282 4.419 1.00 0.41 C ATOM 412 O LYS A 25 13.880 3.980 4.274 1.00 0.47 O ATOM 413 CB LYS A 25 12.580 1.897 6.499 1.00 0.51 C ATOM 414 CG LYS A 25 13.816 2.014 7.366 1.00 0.59 C ATOM 415 CD LYS A 25 15.034 2.297 6.521 1.00 1.02 C ATOM 416 CE LYS A 25 15.861 3.425 7.113 1.00 2.32 C ATOM 417 NZ LYS A 25 17.093 3.704 6.327 1.00 3.25 N ATOM 0 H LYS A 25 10.269 2.455 6.082 1.00 0.32 H new ATOM 0 HA LYS A 25 12.527 4.058 6.369 1.00 0.41 H new ATOM 0 HB2 LYS A 25 11.745 1.568 7.118 1.00 0.51 H new ATOM 0 HB3 LYS A 25 12.746 1.123 5.750 1.00 0.51 H new ATOM 0 HG2 LYS A 25 13.680 2.812 8.096 1.00 0.59 H new ATOM 0 HG3 LYS A 25 13.962 1.091 7.926 1.00 0.59 H new ATOM 0 HD2 LYS A 25 15.644 1.397 6.444 1.00 1.02 H new ATOM 0 HD3 LYS A 25 14.725 2.561 5.509 1.00 1.02 H new ATOM 0 HE2 LYS A 25 15.254 4.329 7.163 1.00 2.32 H new ATOM 0 HE3 LYS A 25 16.137 3.170 8.136 1.00 2.32 H new ATOM 0 HZ1 LYS A 25 17.621 4.481 6.773 1.00 3.25 H new ATOM 0 HZ2 LYS A 25 17.688 2.852 6.300 1.00 3.25 H new ATOM 0 HZ3 LYS A 25 16.832 3.974 5.357 1.00 3.25 H new ATOM 431 N GLU A 26 12.332 2.583 3.414 1.00 0.42 N ATOM 432 CA GLU A 26 12.913 2.613 2.066 1.00 0.53 C ATOM 433 C GLU A 26 12.940 4.037 1.553 1.00 0.45 C ATOM 434 O GLU A 26 13.787 4.420 0.744 1.00 0.66 O ATOM 435 CB GLU A 26 12.113 1.763 1.078 1.00 0.91 C ATOM 436 CG GLU A 26 11.650 0.443 1.636 1.00 0.40 C ATOM 437 CD GLU A 26 11.631 -0.663 0.598 1.00 0.79 C ATOM 438 OE1 GLU A 26 12.727 -1.163 0.229 1.00 1.45 O ATOM 439 OE2 GLU A 26 10.535 -1.041 0.156 1.00 1.43 O ATOM 0 H GLU A 26 11.503 1.996 3.506 1.00 0.42 H new ATOM 0 HA GLU A 26 13.921 2.205 2.141 1.00 0.53 H new ATOM 0 HB2 GLU A 26 11.243 2.331 0.748 1.00 0.91 H new ATOM 0 HB3 GLU A 26 12.726 1.577 0.196 1.00 0.91 H new ATOM 0 HG2 GLU A 26 12.305 0.152 2.458 1.00 0.40 H new ATOM 0 HG3 GLU A 26 10.649 0.561 2.052 1.00 0.40 H new ATOM 446 N GLY A 27 12.015 4.813 2.070 1.00 0.38 N ATOM 447 CA GLY A 27 11.815 6.153 1.612 1.00 0.44 C ATOM 448 C GLY A 27 10.354 6.458 1.523 1.00 0.37 C ATOM 449 O GLY A 27 9.962 7.618 1.373 1.00 0.44 O ATOM 0 H GLY A 27 11.385 4.526 2.819 1.00 0.38 H new ATOM 0 HA2 GLY A 27 12.299 6.853 2.293 1.00 0.44 H new ATOM 0 HA3 GLY A 27 12.281 6.284 0.635 1.00 0.44 H new ATOM 453 N TYR A 28 9.538 5.418 1.656 1.00 0.26 N ATOM 454 CA TYR A 28 8.124 5.562 1.372 1.00 0.24 C ATOM 455 C TYR A 28 7.443 6.380 2.440 1.00 0.24 C ATOM 456 O TYR A 28 7.515 6.070 3.619 1.00 0.41 O ATOM 457 CB TYR A 28 7.431 4.210 1.241 1.00 0.25 C ATOM 458 CG TYR A 28 7.189 3.777 -0.185 1.00 0.40 C ATOM 459 CD1 TYR A 28 6.220 4.406 -0.958 1.00 0.58 C ATOM 460 CD2 TYR A 28 7.922 2.748 -0.763 1.00 0.57 C ATOM 461 CE1 TYR A 28 5.987 4.024 -2.263 1.00 0.78 C ATOM 462 CE2 TYR A 28 7.696 2.363 -2.072 1.00 0.77 C ATOM 463 CZ TYR A 28 6.728 3.004 -2.816 1.00 0.87 C ATOM 464 OH TYR A 28 6.489 2.620 -4.114 1.00 1.07 O ATOM 0 H TYR A 28 9.828 4.486 1.953 1.00 0.26 H new ATOM 0 HA TYR A 28 8.043 6.080 0.416 1.00 0.24 H new ATOM 0 HB2 TYR A 28 8.036 3.454 1.741 1.00 0.25 H new ATOM 0 HB3 TYR A 28 6.476 4.251 1.764 1.00 0.25 H new ATOM 0 HD1 TYR A 28 5.639 5.209 -0.529 1.00 0.58 H new ATOM 0 HD2 TYR A 28 8.679 2.242 -0.182 1.00 0.57 H new ATOM 0 HE1 TYR A 28 5.228 4.522 -2.847 1.00 0.78 H new ATOM 0 HE2 TYR A 28 8.275 1.564 -2.510 1.00 0.77 H new ATOM 0 HH TYR A 28 7.062 1.858 -4.340 1.00 1.07 H new ATOM 474 N GLN A 29 6.793 7.438 2.036 1.00 0.17 N ATOM 475 CA GLN A 29 6.012 8.204 2.968 1.00 0.16 C ATOM 476 C GLN A 29 4.705 7.489 3.188 1.00 0.12 C ATOM 477 O GLN A 29 3.711 7.775 2.532 1.00 0.13 O ATOM 478 CB GLN A 29 5.754 9.600 2.440 1.00 0.24 C ATOM 479 CG GLN A 29 7.008 10.350 2.026 1.00 0.30 C ATOM 480 CD GLN A 29 6.736 11.291 0.876 1.00 0.53 C ATOM 481 OE1 GLN A 29 6.375 12.452 1.068 1.00 1.14 O ATOM 482 NE2 GLN A 29 6.905 10.790 -0.333 1.00 0.53 N ATOM 0 H GLN A 29 6.788 7.786 1.077 1.00 0.17 H new ATOM 0 HA GLN A 29 6.558 8.299 3.907 1.00 0.16 H new ATOM 0 HB2 GLN A 29 5.084 9.534 1.583 1.00 0.24 H new ATOM 0 HB3 GLN A 29 5.236 10.176 3.206 1.00 0.24 H new ATOM 0 HG2 GLN A 29 7.393 10.914 2.876 1.00 0.30 H new ATOM 0 HG3 GLN A 29 7.781 9.637 1.739 1.00 0.30 H new ATOM 0 HE21 GLN A 29 7.205 9.822 -0.446 1.00 0.53 H new ATOM 0 HE22 GLN A 29 6.735 11.371 -1.154 1.00 0.53 H new ATOM 491 N THR A 30 4.723 6.519 4.067 1.00 0.11 N ATOM 492 CA THR A 30 3.568 5.690 4.263 1.00 0.10 C ATOM 493 C THR A 30 2.675 6.268 5.357 1.00 0.10 C ATOM 494 O THR A 30 3.160 6.690 6.408 1.00 0.14 O ATOM 495 CB THR A 30 3.998 4.264 4.625 1.00 0.11 C ATOM 496 OG1 THR A 30 4.497 4.225 5.962 1.00 0.14 O ATOM 497 CG2 THR A 30 5.096 3.769 3.699 1.00 0.12 C ATOM 0 H THR A 30 5.523 6.287 4.655 1.00 0.11 H new ATOM 0 HA THR A 30 2.999 5.660 3.334 1.00 0.10 H new ATOM 0 HB THR A 30 3.121 3.625 4.524 1.00 0.11 H new ATOM 0 HG1 THR A 30 5.184 3.530 6.035 1.00 0.14 H new ATOM 0 HG21 THR A 30 5.380 2.755 3.981 1.00 0.12 H new ATOM 0 HG22 THR A 30 4.734 3.772 2.671 1.00 0.12 H new ATOM 0 HG23 THR A 30 5.963 4.424 3.780 1.00 0.12 H new ATOM 505 N PHE A 31 1.376 6.321 5.098 1.00 0.09 N ATOM 506 CA PHE A 31 0.440 6.834 6.068 1.00 0.09 C ATOM 507 C PHE A 31 -0.630 5.815 6.315 1.00 0.10 C ATOM 508 O PHE A 31 -1.338 5.366 5.414 1.00 0.19 O ATOM 509 CB PHE A 31 -0.164 8.163 5.650 1.00 0.11 C ATOM 510 CG PHE A 31 0.677 9.348 6.036 1.00 0.17 C ATOM 511 CD1 PHE A 31 1.902 9.577 5.429 1.00 0.20 C ATOM 512 CD2 PHE A 31 0.243 10.230 7.012 1.00 0.27 C ATOM 513 CE1 PHE A 31 2.679 10.661 5.791 1.00 0.26 C ATOM 514 CE2 PHE A 31 1.015 11.316 7.376 1.00 0.34 C ATOM 515 CZ PHE A 31 2.234 11.532 6.765 1.00 0.30 C ATOM 0 H PHE A 31 0.954 6.013 4.222 1.00 0.09 H new ATOM 0 HA PHE A 31 0.986 7.024 6.992 1.00 0.09 H new ATOM 0 HB2 PHE A 31 -0.307 8.165 4.569 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -1.150 8.264 6.103 1.00 0.11 H new ATOM 0 HD1 PHE A 31 2.253 8.900 4.664 1.00 0.20 H new ATOM 0 HD2 PHE A 31 -0.710 10.067 7.494 1.00 0.27 H new ATOM 0 HE1 PHE A 31 3.633 10.826 5.313 1.00 0.26 H new ATOM 0 HE2 PHE A 31 0.665 11.996 8.139 1.00 0.34 H new ATOM 0 HZ PHE A 31 2.838 12.381 7.049 1.00 0.30 H new ATOM 525 N GLN A 32 -0.692 5.447 7.548 1.00 0.12 N ATOM 526 CA GLN A 32 -1.529 4.386 8.017 1.00 0.10 C ATOM 527 C GLN A 32 -2.978 4.854 8.222 1.00 0.09 C ATOM 528 O GLN A 32 -3.241 5.779 8.985 1.00 0.12 O ATOM 529 CB GLN A 32 -0.907 3.888 9.316 1.00 0.12 C ATOM 530 CG GLN A 32 -0.328 5.003 10.162 1.00 0.14 C ATOM 531 CD GLN A 32 0.370 4.493 11.404 1.00 0.18 C ATOM 532 OE1 GLN A 32 1.663 4.237 11.283 1.00 0.22 O flip ATOM 533 NE2 GLN A 32 -0.243 4.334 12.456 1.00 0.19 N flip ATOM 0 H GLN A 32 -0.144 5.889 8.286 1.00 0.12 H new ATOM 0 HA GLN A 32 -1.585 3.583 7.282 1.00 0.10 H new ATOM 0 HB2 GLN A 32 -1.663 3.357 9.894 1.00 0.12 H new ATOM 0 HB3 GLN A 32 -0.120 3.170 9.084 1.00 0.12 H new ATOM 0 HG2 GLN A 32 0.379 5.578 9.563 1.00 0.14 H new ATOM 0 HG3 GLN A 32 -1.127 5.685 10.454 1.00 0.14 H new ATOM 0 HE21 GLN A 32 -1.240 4.545 12.502 1.00 0.19 H new ATOM 0 HE22 GLN A 32 0.245 3.991 13.284 1.00 0.19 H new ATOM 542 N ALA A 33 -3.898 4.199 7.527 1.00 0.09 N ATOM 543 CA ALA A 33 -5.336 4.445 7.649 1.00 0.08 C ATOM 544 C ALA A 33 -6.027 3.160 8.044 1.00 0.11 C ATOM 545 O ALA A 33 -5.773 2.121 7.459 1.00 0.23 O ATOM 546 CB ALA A 33 -5.909 4.957 6.332 1.00 0.10 C ATOM 0 H ALA A 33 -3.667 3.470 6.852 1.00 0.09 H new ATOM 0 HA ALA A 33 -5.502 5.205 8.413 1.00 0.08 H new ATOM 0 HB1 ALA A 33 -6.979 5.133 6.445 1.00 0.10 H new ATOM 0 HB2 ALA A 33 -5.415 5.889 6.058 1.00 0.10 H new ATOM 0 HB3 ALA A 33 -5.744 4.215 5.551 1.00 0.10 H new ATOM 552 N ALA A 34 -6.878 3.209 9.048 1.00 0.09 N ATOM 553 CA ALA A 34 -7.586 2.010 9.458 1.00 0.10 C ATOM 554 C ALA A 34 -8.906 1.888 8.731 1.00 0.12 C ATOM 555 O ALA A 34 -9.594 0.877 8.841 1.00 0.18 O ATOM 556 CB ALA A 34 -7.804 1.975 10.957 1.00 0.14 C ATOM 0 H ALA A 34 -7.095 4.047 9.587 1.00 0.09 H new ATOM 0 HA ALA A 34 -6.961 1.158 9.191 1.00 0.10 H new ATOM 0 HB1 ALA A 34 -8.337 1.063 11.226 1.00 0.14 H new ATOM 0 HB2 ALA A 34 -6.840 1.995 11.465 1.00 0.14 H new ATOM 0 HB3 ALA A 34 -8.392 2.841 11.259 1.00 0.14 H new ATOM 562 N ASN A 35 -9.268 2.919 7.983 1.00 0.10 N ATOM 563 CA ASN A 35 -10.512 2.890 7.251 1.00 0.13 C ATOM 564 C ASN A 35 -10.416 3.663 5.954 1.00 0.10 C ATOM 565 O ASN A 35 -9.487 4.432 5.746 1.00 0.08 O ATOM 566 CB ASN A 35 -11.668 3.407 8.114 1.00 0.17 C ATOM 567 CG ASN A 35 -11.300 4.671 8.864 1.00 0.20 C ATOM 568 OD1 ASN A 35 -11.707 5.811 8.344 1.00 0.29 O flip ATOM 569 ND2 ASN A 35 -10.685 4.618 9.926 1.00 0.19 N flip ATOM 0 H ASN A 35 -8.722 3.773 7.871 1.00 0.10 H new ATOM 0 HA ASN A 35 -10.717 1.850 6.996 1.00 0.13 H new ATOM 0 HB2 ASN A 35 -12.534 3.601 7.481 1.00 0.17 H new ATOM 0 HB3 ASN A 35 -11.961 2.636 8.826 1.00 0.17 H new ATOM 0 HD21 ASN A 35 -10.386 3.716 10.298 1.00 0.19 H new ATOM 0 HD22 ASN A 35 -10.473 5.476 10.436 1.00 0.19 H new ATOM 576 N GLY A 36 -11.395 3.445 5.086 1.00 0.12 N ATOM 577 CA GLY A 36 -11.397 4.060 3.767 1.00 0.14 C ATOM 578 C GLY A 36 -11.572 5.556 3.812 1.00 0.11 C ATOM 579 O GLY A 36 -11.178 6.260 2.887 1.00 0.13 O ATOM 0 H GLY A 36 -12.199 2.846 5.273 1.00 0.12 H new ATOM 0 HA2 GLY A 36 -10.460 3.825 3.262 1.00 0.14 H new ATOM 0 HA3 GLY A 36 -12.199 3.624 3.171 1.00 0.14 H new ATOM 583 N LEU A 37 -12.152 6.041 4.888 1.00 0.11 N ATOM 584 CA LEU A 37 -12.309 7.469 5.082 1.00 0.13 C ATOM 585 C LEU A 37 -10.997 8.043 5.492 1.00 0.10 C ATOM 586 O LEU A 37 -10.614 9.136 5.080 1.00 0.11 O ATOM 587 CB LEU A 37 -13.266 7.752 6.203 1.00 0.17 C ATOM 588 CG LEU A 37 -14.740 7.394 5.977 1.00 0.23 C ATOM 589 CD1 LEU A 37 -15.212 7.863 4.606 1.00 0.27 C ATOM 590 CD2 LEU A 37 -14.974 5.900 6.158 1.00 0.28 C ATOM 0 H LEU A 37 -12.524 5.467 5.645 1.00 0.11 H new ATOM 0 HA LEU A 37 -12.677 7.900 4.151 1.00 0.13 H new ATOM 0 HB2 LEU A 37 -12.920 7.214 7.086 1.00 0.17 H new ATOM 0 HB3 LEU A 37 -13.209 8.816 6.435 1.00 0.17 H new ATOM 0 HG LEU A 37 -15.331 7.916 6.729 1.00 0.23 H new ATOM 0 HD11 LEU A 37 -16.260 7.597 4.471 1.00 0.27 H new ATOM 0 HD12 LEU A 37 -15.100 8.945 4.533 1.00 0.27 H new ATOM 0 HD13 LEU A 37 -14.613 7.383 3.831 1.00 0.27 H new ATOM 0 HD21 LEU A 37 -16.027 5.674 5.992 1.00 0.28 H new ATOM 0 HD22 LEU A 37 -14.367 5.347 5.441 1.00 0.28 H new ATOM 0 HD23 LEU A 37 -14.695 5.608 7.171 1.00 0.28 H new ATOM 602 N GLN A 38 -10.328 7.282 6.337 1.00 0.10 N ATOM 603 CA GLN A 38 -9.024 7.639 6.793 1.00 0.11 C ATOM 604 C GLN A 38 -8.189 7.702 5.566 1.00 0.10 C ATOM 605 O GLN A 38 -7.510 8.669 5.319 1.00 0.15 O ATOM 606 CB GLN A 38 -8.485 6.578 7.760 1.00 0.19 C ATOM 607 CG GLN A 38 -7.897 7.142 9.038 1.00 0.36 C ATOM 608 CD GLN A 38 -6.648 7.960 8.846 1.00 0.67 C ATOM 609 OE1 GLN A 38 -5.506 7.350 9.070 1.00 0.99 O flip ATOM 610 NE2 GLN A 38 -6.716 9.152 8.566 1.00 1.29 N flip ATOM 0 H GLN A 38 -10.683 6.405 6.718 1.00 0.10 H new ATOM 0 HA GLN A 38 -9.024 8.585 7.334 1.00 0.11 H new ATOM 0 HB2 GLN A 38 -9.293 5.893 8.017 1.00 0.19 H new ATOM 0 HB3 GLN A 38 -7.721 5.992 7.249 1.00 0.19 H new ATOM 0 HG2 GLN A 38 -8.650 7.761 9.526 1.00 0.36 H new ATOM 0 HG3 GLN A 38 -7.675 6.317 9.715 1.00 0.36 H new ATOM 0 HE21 GLN A 38 -7.624 9.586 8.400 1.00 1.29 H new ATOM 0 HE22 GLN A 38 -5.865 9.710 8.499 1.00 1.29 H new ATOM 619 N ALA A 39 -8.378 6.687 4.745 1.00 0.10 N ATOM 620 CA ALA A 39 -7.647 6.546 3.515 1.00 0.12 C ATOM 621 C ALA A 39 -7.908 7.718 2.581 1.00 0.11 C ATOM 622 O ALA A 39 -6.982 8.254 1.978 1.00 0.13 O ATOM 623 CB ALA A 39 -7.994 5.236 2.835 1.00 0.14 C ATOM 0 H ALA A 39 -9.047 5.937 4.919 1.00 0.10 H new ATOM 0 HA ALA A 39 -6.584 6.541 3.757 1.00 0.12 H new ATOM 0 HB1 ALA A 39 -7.431 5.148 1.906 1.00 0.14 H new ATOM 0 HB2 ALA A 39 -7.740 4.406 3.494 1.00 0.14 H new ATOM 0 HB3 ALA A 39 -9.061 5.211 2.616 1.00 0.14 H new ATOM 629 N LEU A 40 -9.175 8.103 2.464 1.00 0.11 N ATOM 630 CA LEU A 40 -9.557 9.268 1.691 1.00 0.12 C ATOM 631 C LEU A 40 -8.802 10.483 2.200 1.00 0.13 C ATOM 632 O LEU A 40 -8.250 11.270 1.425 1.00 0.17 O ATOM 633 CB LEU A 40 -11.065 9.495 1.819 1.00 0.13 C ATOM 634 CG LEU A 40 -11.755 9.958 0.536 1.00 0.37 C ATOM 635 CD1 LEU A 40 -11.412 11.409 0.223 1.00 0.97 C ATOM 636 CD2 LEU A 40 -11.355 9.066 -0.628 1.00 0.19 C ATOM 0 H LEU A 40 -9.957 7.616 2.901 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.309 9.108 0.642 1.00 0.12 H new ATOM 0 HB2 LEU A 40 -11.531 8.567 2.151 1.00 0.13 H new ATOM 0 HB3 LEU A 40 -11.242 10.237 2.598 1.00 0.13 H new ATOM 0 HG LEU A 40 -12.832 9.886 0.687 1.00 0.37 H new ATOM 0 HD11 LEU A 40 -11.916 11.712 -0.695 1.00 0.97 H new ATOM 0 HD12 LEU A 40 -11.740 12.046 1.045 1.00 0.97 H new ATOM 0 HD13 LEU A 40 -10.334 11.509 0.095 1.00 0.97 H new ATOM 0 HD21 LEU A 40 -11.853 9.407 -1.536 1.00 0.19 H new ATOM 0 HD22 LEU A 40 -10.275 9.113 -0.768 1.00 0.19 H new ATOM 0 HD23 LEU A 40 -11.649 8.038 -0.417 1.00 0.19 H new ATOM 648 N ASP A 41 -8.765 10.598 3.517 1.00 0.12 N ATOM 649 CA ASP A 41 -8.035 11.657 4.180 1.00 0.13 C ATOM 650 C ASP A 41 -6.553 11.561 3.854 1.00 0.09 C ATOM 651 O ASP A 41 -5.913 12.564 3.558 1.00 0.11 O ATOM 652 CB ASP A 41 -8.250 11.569 5.691 1.00 0.20 C ATOM 653 CG ASP A 41 -7.346 12.506 6.477 1.00 0.72 C ATOM 654 OD1 ASP A 41 -7.726 13.680 6.669 1.00 0.87 O ATOM 655 OD2 ASP A 41 -6.259 12.076 6.923 1.00 1.32 O ATOM 0 H ASP A 41 -9.241 9.959 4.153 1.00 0.12 H new ATOM 0 HA ASP A 41 -8.406 12.618 3.824 1.00 0.13 H new ATOM 0 HB2 ASP A 41 -9.290 11.802 5.918 1.00 0.20 H new ATOM 0 HB3 ASP A 41 -8.074 10.544 6.018 1.00 0.20 H new ATOM 660 N ILE A 42 -6.012 10.347 3.881 1.00 0.10 N ATOM 661 CA ILE A 42 -4.608 10.145 3.632 1.00 0.10 C ATOM 662 C ILE A 42 -4.231 10.551 2.215 1.00 0.10 C ATOM 663 O ILE A 42 -3.236 11.236 2.007 1.00 0.13 O ATOM 664 CB ILE A 42 -4.197 8.694 3.802 1.00 0.12 C ATOM 665 CG1 ILE A 42 -4.886 8.021 4.987 1.00 0.14 C ATOM 666 CG2 ILE A 42 -2.693 8.614 3.942 1.00 0.12 C ATOM 667 CD1 ILE A 42 -4.575 8.598 6.350 1.00 0.12 C ATOM 0 H ILE A 42 -6.535 9.493 4.074 1.00 0.10 H new ATOM 0 HA ILE A 42 -4.092 10.766 4.364 1.00 0.10 H new ATOM 0 HB ILE A 42 -4.517 8.151 2.913 1.00 0.12 H new ATOM 0 HG12 ILE A 42 -5.964 8.070 4.831 1.00 0.14 H new ATOM 0 HG13 ILE A 42 -4.612 6.966 4.990 1.00 0.14 H new ATOM 0 HG21 ILE A 42 -2.394 7.573 4.064 1.00 0.12 H new ATOM 0 HG22 ILE A 42 -2.222 9.024 3.049 1.00 0.12 H new ATOM 0 HG23 ILE A 42 -2.378 9.187 4.814 1.00 0.12 H new ATOM 0 HD11 ILE A 42 -5.119 8.042 7.113 1.00 0.12 H new ATOM 0 HD12 ILE A 42 -3.504 8.524 6.541 1.00 0.12 H new ATOM 0 HD13 ILE A 42 -4.877 9.645 6.379 1.00 0.12 H new ATOM 679 N VAL A 43 -5.011 10.106 1.235 1.00 0.11 N ATOM 680 CA VAL A 43 -4.739 10.460 -0.152 1.00 0.12 C ATOM 681 C VAL A 43 -4.791 11.963 -0.309 1.00 0.12 C ATOM 682 O VAL A 43 -3.951 12.564 -0.951 1.00 0.15 O ATOM 683 CB VAL A 43 -5.740 9.841 -1.143 1.00 0.13 C ATOM 684 CG1 VAL A 43 -5.331 10.158 -2.573 1.00 0.14 C ATOM 685 CG2 VAL A 43 -5.851 8.345 -0.949 1.00 0.15 C ATOM 0 H VAL A 43 -5.826 9.508 1.373 1.00 0.11 H new ATOM 0 HA VAL A 43 -3.750 10.064 -0.383 1.00 0.12 H new ATOM 0 HB VAL A 43 -6.719 10.279 -0.949 1.00 0.13 H new ATOM 0 HG11 VAL A 43 -6.048 9.714 -3.263 1.00 0.14 H new ATOM 0 HG12 VAL A 43 -5.312 11.239 -2.715 1.00 0.14 H new ATOM 0 HG13 VAL A 43 -4.339 9.749 -2.767 1.00 0.14 H new ATOM 0 HG21 VAL A 43 -6.566 7.937 -1.664 1.00 0.15 H new ATOM 0 HG22 VAL A 43 -4.876 7.884 -1.108 1.00 0.15 H new ATOM 0 HG23 VAL A 43 -6.191 8.134 0.065 1.00 0.15 H new ATOM 695 N THR A 44 -5.771 12.562 0.316 1.00 0.12 N ATOM 696 CA THR A 44 -5.967 13.986 0.217 1.00 0.15 C ATOM 697 C THR A 44 -4.890 14.751 1.002 1.00 0.14 C ATOM 698 O THR A 44 -4.612 15.919 0.721 1.00 0.16 O ATOM 699 CB THR A 44 -7.383 14.322 0.718 1.00 0.23 C ATOM 700 OG1 THR A 44 -8.046 15.193 -0.209 1.00 0.39 O ATOM 701 CG2 THR A 44 -7.376 14.956 2.102 1.00 0.19 C ATOM 0 H THR A 44 -6.452 12.081 0.904 1.00 0.12 H new ATOM 0 HA THR A 44 -5.872 14.299 -0.823 1.00 0.15 H new ATOM 0 HB THR A 44 -7.924 13.379 0.791 1.00 0.23 H new ATOM 0 HG1 THR A 44 -8.946 15.397 0.121 1.00 0.39 H new ATOM 0 HG21 THR A 44 -8.399 15.173 2.408 1.00 0.19 H new ATOM 0 HG22 THR A 44 -6.922 14.268 2.815 1.00 0.19 H new ATOM 0 HG23 THR A 44 -6.801 15.882 2.075 1.00 0.19 H new ATOM 709 N LYS A 45 -4.274 14.076 1.972 1.00 0.13 N ATOM 710 CA LYS A 45 -3.277 14.692 2.833 1.00 0.14 C ATOM 711 C LYS A 45 -1.867 14.550 2.241 1.00 0.13 C ATOM 712 O LYS A 45 -1.098 15.514 2.212 1.00 0.15 O ATOM 713 CB LYS A 45 -3.378 14.063 4.238 1.00 0.19 C ATOM 714 CG LYS A 45 -2.409 12.922 4.522 1.00 0.39 C ATOM 715 CD LYS A 45 -2.908 12.037 5.652 1.00 1.12 C ATOM 716 CE LYS A 45 -2.821 12.736 6.991 1.00 1.54 C ATOM 717 NZ LYS A 45 -3.741 12.132 7.991 1.00 2.42 N ATOM 0 H LYS A 45 -4.454 13.093 2.179 1.00 0.13 H new ATOM 0 HA LYS A 45 -3.470 15.762 2.910 1.00 0.14 H new ATOM 0 HB2 LYS A 45 -3.216 14.846 4.979 1.00 0.19 H new ATOM 0 HB3 LYS A 45 -4.394 13.696 4.379 1.00 0.19 H new ATOM 0 HG2 LYS A 45 -2.276 12.323 3.621 1.00 0.39 H new ATOM 0 HG3 LYS A 45 -1.432 13.329 4.781 1.00 0.39 H new ATOM 0 HD2 LYS A 45 -3.941 11.748 5.459 1.00 1.12 H new ATOM 0 HD3 LYS A 45 -2.321 11.119 5.682 1.00 1.12 H new ATOM 0 HE2 LYS A 45 -1.797 12.685 7.362 1.00 1.54 H new ATOM 0 HE3 LYS A 45 -3.062 13.792 6.866 1.00 1.54 H new ATOM 0 HZ1 LYS A 45 -3.545 12.534 8.930 1.00 2.42 H new ATOM 0 HZ2 LYS A 45 -4.725 12.337 7.725 1.00 2.42 H new ATOM 0 HZ3 LYS A 45 -3.597 11.102 8.018 1.00 2.42 H new ATOM 731 N GLU A 46 -1.543 13.355 1.758 1.00 0.13 N ATOM 732 CA GLU A 46 -0.220 13.059 1.229 1.00 0.13 C ATOM 733 C GLU A 46 -0.246 12.845 -0.272 1.00 0.13 C ATOM 734 O GLU A 46 0.691 13.229 -0.972 1.00 0.16 O ATOM 735 CB GLU A 46 0.335 11.810 1.911 1.00 0.13 C ATOM 736 CG GLU A 46 0.788 12.076 3.328 1.00 0.19 C ATOM 737 CD GLU A 46 1.747 13.249 3.410 1.00 0.29 C ATOM 738 OE1 GLU A 46 2.835 13.181 2.797 1.00 0.54 O ATOM 739 OE2 GLU A 46 1.402 14.256 4.058 1.00 0.63 O ATOM 0 H GLU A 46 -2.190 12.567 1.723 1.00 0.13 H new ATOM 0 HA GLU A 46 0.420 13.918 1.433 1.00 0.13 H new ATOM 0 HB2 GLU A 46 -0.430 11.033 1.917 1.00 0.13 H new ATOM 0 HB3 GLU A 46 1.174 11.426 1.331 1.00 0.13 H new ATOM 0 HG2 GLU A 46 -0.081 12.275 3.955 1.00 0.19 H new ATOM 0 HG3 GLU A 46 1.272 11.184 3.727 1.00 0.19 H new ATOM 746 N ARG A 47 -1.327 12.240 -0.748 1.00 0.13 N ATOM 747 CA ARG A 47 -1.440 11.798 -2.138 1.00 0.15 C ATOM 748 C ARG A 47 -0.484 10.632 -2.371 1.00 0.12 C ATOM 749 O ARG A 47 0.436 10.739 -3.185 1.00 0.15 O ATOM 750 CB ARG A 47 -1.122 12.930 -3.139 1.00 0.20 C ATOM 751 CG ARG A 47 -1.930 14.209 -2.950 1.00 0.73 C ATOM 752 CD ARG A 47 -3.361 14.065 -3.439 1.00 1.00 C ATOM 753 NE ARG A 47 -4.129 15.293 -3.237 1.00 1.88 N ATOM 754 CZ ARG A 47 -5.407 15.443 -3.576 1.00 2.63 C ATOM 755 NH1 ARG A 47 -6.064 14.462 -4.188 1.00 2.81 N ATOM 756 NH2 ARG A 47 -6.020 16.593 -3.328 1.00 3.66 N ATOM 0 H ARG A 47 -2.152 12.040 -0.183 1.00 0.13 H new ATOM 0 HA ARG A 47 -2.472 11.491 -2.307 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -0.062 13.174 -3.063 1.00 0.20 H new ATOM 0 HB3 ARG A 47 -1.291 12.558 -4.149 1.00 0.20 H new ATOM 0 HG2 ARG A 47 -1.935 14.480 -1.894 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -1.445 15.025 -3.487 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -3.359 13.807 -4.498 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -3.845 13.243 -2.912 1.00 1.00 H new ATOM 0 HE ARG A 47 -3.654 16.087 -2.808 1.00 1.88 H new ATOM 0 HH11 ARG A 47 -5.588 13.585 -4.401 1.00 2.81 H new ATOM 0 HH12 ARG A 47 -7.044 14.586 -4.444 1.00 2.81 H new ATOM 0 HH21 ARG A 47 -5.512 17.356 -2.880 1.00 3.66 H new ATOM 0 HH22 ARG A 47 -6.999 16.715 -3.585 1.00 3.66 H new ATOM 770 N PRO A 48 -0.643 9.511 -1.628 1.00 0.11 N ATOM 771 CA PRO A 48 0.221 8.342 -1.813 1.00 0.11 C ATOM 772 C PRO A 48 0.097 7.788 -3.207 1.00 0.12 C ATOM 773 O PRO A 48 -0.917 7.976 -3.866 1.00 0.21 O ATOM 774 CB PRO A 48 -0.297 7.334 -0.782 1.00 0.14 C ATOM 775 CG PRO A 48 -0.926 8.209 0.248 1.00 0.15 C ATOM 776 CD PRO A 48 -1.628 9.276 -0.545 1.00 0.14 C ATOM 0 HA PRO A 48 1.276 8.580 -1.680 1.00 0.11 H new ATOM 0 HB2 PRO A 48 -1.017 6.642 -1.219 1.00 0.14 H new ATOM 0 HB3 PRO A 48 0.510 6.732 -0.364 1.00 0.14 H new ATOM 0 HG2 PRO A 48 -1.626 7.651 0.870 1.00 0.15 H new ATOM 0 HG3 PRO A 48 -0.178 8.637 0.916 1.00 0.15 H new ATOM 0 HD2 PRO A 48 -2.591 8.939 -0.928 1.00 0.14 H new ATOM 0 HD3 PRO A 48 -1.816 10.173 0.045 1.00 0.14 H new ATOM 784 N ASP A 49 1.131 7.133 -3.672 1.00 0.11 N ATOM 785 CA ASP A 49 1.057 6.508 -4.972 1.00 0.14 C ATOM 786 C ASP A 49 0.608 5.074 -4.815 1.00 0.13 C ATOM 787 O ASP A 49 -0.124 4.560 -5.646 1.00 0.19 O ATOM 788 CB ASP A 49 2.394 6.576 -5.703 1.00 0.25 C ATOM 789 CG ASP A 49 2.885 7.998 -5.876 1.00 0.65 C ATOM 790 OD1 ASP A 49 2.516 8.639 -6.883 1.00 0.94 O ATOM 791 OD2 ASP A 49 3.631 8.482 -4.996 1.00 0.98 O ATOM 0 H ASP A 49 2.019 7.019 -3.183 1.00 0.11 H new ATOM 0 HA ASP A 49 0.331 7.051 -5.576 1.00 0.14 H new ATOM 0 HB2 ASP A 49 3.137 6.003 -5.149 1.00 0.25 H new ATOM 0 HB3 ASP A 49 2.294 6.107 -6.682 1.00 0.25 H new ATOM 796 N LEU A 50 1.022 4.452 -3.721 1.00 0.12 N ATOM 797 CA LEU A 50 0.697 3.056 -3.454 1.00 0.12 C ATOM 798 C LEU A 50 -0.117 2.941 -2.171 1.00 0.11 C ATOM 799 O LEU A 50 0.379 3.231 -1.082 1.00 0.12 O ATOM 800 CB LEU A 50 1.976 2.218 -3.329 1.00 0.13 C ATOM 801 CG LEU A 50 2.692 1.886 -4.644 1.00 0.18 C ATOM 802 CD1 LEU A 50 3.430 3.096 -5.196 1.00 0.26 C ATOM 803 CD2 LEU A 50 3.649 0.724 -4.440 1.00 0.20 C ATOM 0 H LEU A 50 1.588 4.895 -2.998 1.00 0.12 H new ATOM 0 HA LEU A 50 0.108 2.677 -4.289 1.00 0.12 H new ATOM 0 HB2 LEU A 50 2.674 2.750 -2.682 1.00 0.13 H new ATOM 0 HB3 LEU A 50 1.727 1.283 -2.828 1.00 0.13 H new ATOM 0 HG LEU A 50 1.937 1.598 -5.376 1.00 0.18 H new ATOM 0 HD11 LEU A 50 3.926 2.826 -6.128 1.00 0.26 H new ATOM 0 HD12 LEU A 50 2.720 3.901 -5.383 1.00 0.26 H new ATOM 0 HD13 LEU A 50 4.174 3.430 -4.473 1.00 0.26 H new ATOM 0 HD21 LEU A 50 4.152 0.497 -5.380 1.00 0.20 H new ATOM 0 HD22 LEU A 50 4.391 0.991 -3.687 1.00 0.20 H new ATOM 0 HD23 LEU A 50 3.092 -0.151 -4.106 1.00 0.20 H new ATOM 815 N VAL A 51 -1.367 2.536 -2.300 1.00 0.10 N ATOM 816 CA VAL A 51 -2.246 2.423 -1.147 1.00 0.10 C ATOM 817 C VAL A 51 -2.618 0.975 -0.864 1.00 0.10 C ATOM 818 O VAL A 51 -3.343 0.352 -1.623 1.00 0.13 O ATOM 819 CB VAL A 51 -3.534 3.232 -1.347 1.00 0.13 C ATOM 820 CG1 VAL A 51 -4.397 3.165 -0.105 1.00 0.21 C ATOM 821 CG2 VAL A 51 -3.204 4.667 -1.707 1.00 0.16 C ATOM 0 H VAL A 51 -1.797 2.280 -3.189 1.00 0.10 H new ATOM 0 HA VAL A 51 -1.693 2.823 -0.297 1.00 0.10 H new ATOM 0 HB VAL A 51 -4.098 2.798 -2.173 1.00 0.13 H new ATOM 0 HG11 VAL A 51 -5.307 3.744 -0.263 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -4.658 2.127 0.101 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -3.848 3.576 0.742 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -4.128 5.229 -1.846 1.00 0.16 H new ATOM 0 HG22 VAL A 51 -2.622 5.119 -0.904 1.00 0.16 H new ATOM 0 HG23 VAL A 51 -2.625 4.687 -2.630 1.00 0.16 H new ATOM 831 N LEU A 52 -2.141 0.451 0.242 1.00 0.11 N ATOM 832 CA LEU A 52 -2.411 -0.923 0.606 1.00 0.11 C ATOM 833 C LEU A 52 -3.773 -1.037 1.269 1.00 0.11 C ATOM 834 O LEU A 52 -3.918 -0.819 2.465 1.00 0.13 O ATOM 835 CB LEU A 52 -1.318 -1.454 1.522 1.00 0.11 C ATOM 836 CG LEU A 52 0.094 -1.258 0.973 1.00 0.12 C ATOM 837 CD1 LEU A 52 0.752 -0.055 1.619 1.00 0.15 C ATOM 838 CD2 LEU A 52 0.931 -2.510 1.186 1.00 0.15 C ATOM 0 H LEU A 52 -1.560 0.959 0.910 1.00 0.11 H new ATOM 0 HA LEU A 52 -2.421 -1.529 -0.300 1.00 0.11 H new ATOM 0 HB2 LEU A 52 -1.394 -0.957 2.489 1.00 0.11 H new ATOM 0 HB3 LEU A 52 -1.486 -2.517 1.695 1.00 0.11 H new ATOM 0 HG LEU A 52 0.024 -1.075 -0.099 1.00 0.12 H new ATOM 0 HD11 LEU A 52 1.757 0.070 1.216 1.00 0.15 H new ATOM 0 HD12 LEU A 52 0.163 0.838 1.409 1.00 0.15 H new ATOM 0 HD13 LEU A 52 0.809 -0.207 2.697 1.00 0.15 H new ATOM 0 HD21 LEU A 52 1.933 -2.350 0.788 1.00 0.15 H new ATOM 0 HD22 LEU A 52 0.994 -2.728 2.252 1.00 0.15 H new ATOM 0 HD23 LEU A 52 0.466 -3.350 0.671 1.00 0.15 H new ATOM 850 N LEU A 53 -4.764 -1.349 0.462 1.00 0.16 N ATOM 851 CA LEU A 53 -6.134 -1.466 0.916 1.00 0.20 C ATOM 852 C LEU A 53 -6.407 -2.825 1.520 1.00 0.20 C ATOM 853 O LEU A 53 -6.666 -3.779 0.796 1.00 0.19 O ATOM 854 CB LEU A 53 -7.078 -1.278 -0.264 1.00 0.30 C ATOM 855 CG LEU A 53 -7.856 0.023 -0.290 1.00 0.51 C ATOM 856 CD1 LEU A 53 -8.582 0.230 1.017 1.00 1.53 C ATOM 857 CD2 LEU A 53 -6.958 1.184 -0.593 1.00 0.90 C ATOM 0 H LEU A 53 -4.642 -1.530 -0.534 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.295 -0.701 1.675 1.00 0.20 H new ATOM 0 HB2 LEU A 53 -6.497 -1.350 -1.184 1.00 0.30 H new ATOM 0 HB3 LEU A 53 -7.789 -2.104 -0.271 1.00 0.30 H new ATOM 0 HG LEU A 53 -8.596 -0.040 -1.088 1.00 0.51 H new ATOM 0 HD11 LEU A 53 -9.135 1.168 0.981 1.00 1.53 H new ATOM 0 HD12 LEU A 53 -9.276 -0.594 1.182 1.00 1.53 H new ATOM 0 HD13 LEU A 53 -7.860 0.266 1.833 1.00 1.53 H new ATOM 0 HD21 LEU A 53 -7.543 2.103 -0.605 1.00 0.90 H new ATOM 0 HD22 LEU A 53 -6.185 1.256 0.173 1.00 0.90 H new ATOM 0 HD23 LEU A 53 -6.491 1.038 -1.567 1.00 0.90 H new ATOM 869 N ASP A 54 -6.377 -2.928 2.828 1.00 0.28 N ATOM 870 CA ASP A 54 -6.720 -4.189 3.450 1.00 0.35 C ATOM 871 C ASP A 54 -8.208 -4.427 3.303 1.00 0.37 C ATOM 872 O ASP A 54 -9.023 -3.801 3.983 1.00 0.63 O ATOM 873 CB ASP A 54 -6.334 -4.239 4.920 1.00 0.59 C ATOM 874 CG ASP A 54 -6.630 -5.603 5.516 1.00 1.03 C ATOM 875 OD1 ASP A 54 -6.138 -6.604 4.966 1.00 1.33 O ATOM 876 OD2 ASP A 54 -7.377 -5.685 6.507 1.00 1.47 O ATOM 0 H ASP A 54 -6.126 -2.176 3.470 1.00 0.28 H new ATOM 0 HA ASP A 54 -6.155 -4.972 2.945 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -5.273 -4.014 5.029 1.00 0.59 H new ATOM 0 HB3 ASP A 54 -6.881 -3.472 5.469 1.00 0.59 H new ATOM 881 N MET A 55 -8.566 -5.309 2.387 1.00 0.23 N ATOM 882 CA MET A 55 -9.969 -5.577 2.122 1.00 0.29 C ATOM 883 C MET A 55 -10.542 -6.528 3.161 1.00 0.35 C ATOM 884 O MET A 55 -11.725 -6.871 3.109 1.00 0.50 O ATOM 885 CB MET A 55 -10.168 -6.162 0.726 1.00 0.30 C ATOM 886 CG MET A 55 -9.559 -5.329 -0.389 1.00 0.32 C ATOM 887 SD MET A 55 -10.451 -5.508 -1.942 1.00 0.70 S ATOM 888 CE MET A 55 -10.345 -7.276 -2.193 1.00 0.94 C ATOM 0 H MET A 55 -7.912 -5.848 1.819 1.00 0.23 H new ATOM 0 HA MET A 55 -10.498 -4.626 2.178 1.00 0.29 H new ATOM 0 HB2 MET A 55 -9.733 -7.161 0.697 1.00 0.30 H new ATOM 0 HB3 MET A 55 -11.236 -6.274 0.540 1.00 0.30 H new ATOM 0 HG2 MET A 55 -9.554 -4.280 -0.094 1.00 0.32 H new ATOM 0 HG3 MET A 55 -8.520 -5.624 -0.534 1.00 0.32 H new ATOM 0 HE1 MET A 55 -10.626 -7.515 -3.219 1.00 0.94 H new ATOM 0 HE2 MET A 55 -9.324 -7.609 -2.009 1.00 0.94 H new ATOM 0 HE3 MET A 55 -11.021 -7.782 -1.504 1.00 0.94 H new ATOM 898 N LYS A 56 -9.696 -6.960 4.091 1.00 0.30 N ATOM 899 CA LYS A 56 -10.101 -7.920 5.111 1.00 0.35 C ATOM 900 C LYS A 56 -11.296 -7.463 5.945 1.00 0.34 C ATOM 901 O LYS A 56 -12.374 -8.050 5.870 1.00 0.44 O ATOM 902 CB LYS A 56 -8.932 -8.236 6.038 1.00 0.34 C ATOM 903 CG LYS A 56 -7.798 -8.974 5.340 1.00 0.46 C ATOM 904 CD LYS A 56 -8.301 -10.129 4.475 1.00 0.59 C ATOM 905 CE LYS A 56 -9.175 -11.110 5.248 1.00 1.26 C ATOM 906 NZ LYS A 56 -8.472 -11.696 6.415 1.00 2.24 N ATOM 0 H LYS A 56 -8.724 -6.659 4.159 1.00 0.30 H new ATOM 0 HA LYS A 56 -10.413 -8.813 4.570 1.00 0.35 H new ATOM 0 HB2 LYS A 56 -8.548 -7.306 6.458 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -9.290 -8.839 6.872 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -7.241 -8.274 4.718 1.00 0.46 H new ATOM 0 HG3 LYS A 56 -7.104 -9.359 6.087 1.00 0.46 H new ATOM 0 HD2 LYS A 56 -8.869 -9.728 3.636 1.00 0.59 H new ATOM 0 HD3 LYS A 56 -7.447 -10.662 4.057 1.00 0.59 H new ATOM 0 HE2 LYS A 56 -10.076 -10.599 5.589 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -9.495 -11.910 4.581 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -9.095 -12.381 6.888 1.00 2.24 H new ATOM 0 HZ2 LYS A 56 -7.608 -12.178 6.094 1.00 2.24 H new ATOM 0 HZ3 LYS A 56 -8.219 -10.940 7.083 1.00 2.24 H new ATOM 920 N ILE A 57 -11.093 -6.429 6.742 1.00 0.29 N ATOM 921 CA ILE A 57 -12.052 -6.042 7.780 1.00 0.36 C ATOM 922 C ILE A 57 -12.029 -4.544 8.151 1.00 0.30 C ATOM 923 O ILE A 57 -13.032 -4.068 8.680 1.00 0.40 O ATOM 924 CB ILE A 57 -11.844 -6.849 9.085 1.00 0.51 C ATOM 925 CG1 ILE A 57 -10.351 -6.978 9.405 1.00 1.45 C ATOM 926 CG2 ILE A 57 -12.507 -8.213 8.993 1.00 0.90 C ATOM 927 CD1 ILE A 57 -10.058 -7.761 10.666 1.00 2.06 C ATOM 0 H ILE A 57 -10.267 -5.833 6.695 1.00 0.29 H new ATOM 0 HA ILE A 57 -13.019 -6.265 7.329 1.00 0.36 H new ATOM 0 HB ILE A 57 -12.319 -6.307 9.902 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -9.850 -7.460 8.565 1.00 1.45 H new ATOM 0 HG13 ILE A 57 -9.923 -5.980 9.501 1.00 1.45 H new ATOM 0 HG21 ILE A 57 -12.346 -8.759 9.922 1.00 0.90 H new ATOM 0 HG22 ILE A 57 -13.577 -8.087 8.827 1.00 0.90 H new ATOM 0 HG23 ILE A 57 -12.075 -8.773 8.164 1.00 0.90 H new ATOM 0 HD11 ILE A 57 -8.980 -7.808 10.823 1.00 2.06 H new ATOM 0 HD12 ILE A 57 -10.528 -7.269 11.517 1.00 2.06 H new ATOM 0 HD13 ILE A 57 -10.454 -8.772 10.567 1.00 2.06 H new ATOM 939 N PRO A 58 -10.917 -3.776 7.917 1.00 0.29 N ATOM 940 CA PRO A 58 -10.807 -2.359 8.325 1.00 0.31 C ATOM 941 C PRO A 58 -12.109 -1.555 8.278 1.00 0.27 C ATOM 942 O PRO A 58 -12.440 -0.855 9.236 1.00 0.33 O ATOM 943 CB PRO A 58 -9.801 -1.831 7.321 1.00 0.40 C ATOM 944 CG PRO A 58 -8.821 -2.942 7.231 1.00 0.45 C ATOM 945 CD PRO A 58 -9.655 -4.198 7.251 1.00 0.45 C ATOM 0 HA PRO A 58 -10.524 -2.267 9.374 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -10.263 -1.619 6.357 1.00 0.40 H new ATOM 0 HB3 PRO A 58 -9.335 -0.906 7.662 1.00 0.40 H new ATOM 0 HG2 PRO A 58 -8.230 -2.875 6.317 1.00 0.45 H new ATOM 0 HG3 PRO A 58 -8.121 -2.920 8.066 1.00 0.45 H new ATOM 0 HD2 PRO A 58 -9.840 -4.571 6.244 1.00 0.45 H new ATOM 0 HD3 PRO A 58 -9.160 -4.998 7.802 1.00 0.45 H new ATOM 953 N GLY A 59 -12.842 -1.645 7.181 1.00 0.32 N ATOM 954 CA GLY A 59 -14.119 -0.961 7.116 1.00 0.44 C ATOM 955 C GLY A 59 -14.880 -1.248 5.844 1.00 0.40 C ATOM 956 O GLY A 59 -16.064 -1.587 5.879 1.00 0.47 O ATOM 0 H GLY A 59 -12.584 -2.170 6.345 1.00 0.32 H new ATOM 0 HA2 GLY A 59 -14.727 -1.257 7.971 1.00 0.44 H new ATOM 0 HA3 GLY A 59 -13.954 0.113 7.199 1.00 0.44 H new ATOM 960 N MET A 60 -14.197 -1.133 4.724 1.00 0.32 N ATOM 961 CA MET A 60 -14.822 -1.295 3.425 1.00 0.30 C ATOM 962 C MET A 60 -13.850 -1.990 2.489 1.00 0.21 C ATOM 963 O MET A 60 -12.653 -2.046 2.775 1.00 0.18 O ATOM 964 CB MET A 60 -15.227 0.081 2.871 1.00 0.37 C ATOM 965 CG MET A 60 -15.906 0.042 1.509 1.00 0.43 C ATOM 966 SD MET A 60 -16.258 1.687 0.856 1.00 1.82 S ATOM 967 CE MET A 60 -17.563 2.225 1.959 1.00 2.23 C ATOM 0 H MET A 60 -13.199 -0.926 4.686 1.00 0.32 H new ATOM 0 HA MET A 60 -15.721 -1.905 3.516 1.00 0.30 H new ATOM 0 HB2 MET A 60 -15.898 0.561 3.583 1.00 0.37 H new ATOM 0 HB3 MET A 60 -14.337 0.706 2.801 1.00 0.37 H new ATOM 0 HG2 MET A 60 -15.269 -0.494 0.806 1.00 0.43 H new ATOM 0 HG3 MET A 60 -16.837 -0.519 1.588 1.00 0.43 H new ATOM 0 HE1 MET A 60 -18.018 3.135 1.568 1.00 2.23 H new ATOM 0 HE2 MET A 60 -18.320 1.444 2.035 1.00 2.23 H new ATOM 0 HE3 MET A 60 -17.146 2.423 2.946 1.00 2.23 H new ATOM 977 N ASP A 61 -14.357 -2.519 1.385 1.00 0.21 N ATOM 978 CA ASP A 61 -13.520 -3.156 0.394 1.00 0.18 C ATOM 979 C ASP A 61 -12.536 -2.164 -0.161 1.00 0.14 C ATOM 980 O ASP A 61 -12.890 -1.017 -0.474 1.00 0.17 O ATOM 981 CB ASP A 61 -14.346 -3.729 -0.748 1.00 0.26 C ATOM 982 CG ASP A 61 -15.306 -4.799 -0.283 1.00 0.48 C ATOM 983 OD1 ASP A 61 -14.851 -5.904 0.057 1.00 0.67 O ATOM 984 OD2 ASP A 61 -16.523 -4.528 -0.233 1.00 0.64 O ATOM 0 H ASP A 61 -15.351 -2.516 1.157 1.00 0.21 H new ATOM 0 HA ASP A 61 -12.992 -3.974 0.884 1.00 0.18 H new ATOM 0 HB2 ASP A 61 -14.906 -2.926 -1.227 1.00 0.26 H new ATOM 0 HB3 ASP A 61 -13.679 -4.146 -1.502 1.00 0.26 H new ATOM 989 N GLY A 62 -11.305 -2.609 -0.300 1.00 0.16 N ATOM 990 CA GLY A 62 -10.279 -1.751 -0.822 1.00 0.20 C ATOM 991 C GLY A 62 -10.553 -1.338 -2.236 1.00 0.20 C ATOM 992 O GLY A 62 -9.890 -0.459 -2.761 1.00 0.32 O ATOM 0 H GLY A 62 -10.999 -3.552 -0.060 1.00 0.16 H new ATOM 0 HA2 GLY A 62 -10.196 -0.863 -0.195 1.00 0.20 H new ATOM 0 HA3 GLY A 62 -9.319 -2.265 -0.775 1.00 0.20 H new ATOM 996 N ILE A 63 -11.543 -1.960 -2.847 1.00 0.16 N ATOM 997 CA ILE A 63 -11.942 -1.598 -4.186 1.00 0.17 C ATOM 998 C ILE A 63 -12.676 -0.279 -4.169 1.00 0.18 C ATOM 999 O ILE A 63 -12.333 0.647 -4.897 1.00 0.22 O ATOM 1000 CB ILE A 63 -12.883 -2.629 -4.794 1.00 0.21 C ATOM 1001 CG1 ILE A 63 -12.490 -4.040 -4.389 1.00 0.26 C ATOM 1002 CG2 ILE A 63 -12.884 -2.493 -6.306 1.00 0.30 C ATOM 1003 CD1 ILE A 63 -13.524 -5.061 -4.781 1.00 1.31 C ATOM 0 H ILE A 63 -12.084 -2.719 -2.433 1.00 0.16 H new ATOM 0 HA ILE A 63 -11.030 -1.538 -4.780 1.00 0.17 H new ATOM 0 HB ILE A 63 -13.888 -2.443 -4.415 1.00 0.21 H new ATOM 0 HG12 ILE A 63 -11.537 -4.296 -4.853 1.00 0.26 H new ATOM 0 HG13 ILE A 63 -12.339 -4.076 -3.310 1.00 0.26 H new ATOM 0 HG21 ILE A 63 -13.559 -3.233 -6.737 1.00 0.30 H new ATOM 0 HG22 ILE A 63 -13.218 -1.493 -6.581 1.00 0.30 H new ATOM 0 HG23 ILE A 63 -11.876 -2.656 -6.687 1.00 0.30 H new ATOM 0 HD11 ILE A 63 -13.194 -6.052 -4.469 1.00 1.31 H new ATOM 0 HD12 ILE A 63 -14.471 -4.824 -4.296 1.00 1.31 H new ATOM 0 HD13 ILE A 63 -13.657 -5.047 -5.863 1.00 1.31 H new ATOM 1015 N GLU A 64 -13.690 -0.201 -3.324 1.00 0.15 N ATOM 1016 CA GLU A 64 -14.499 0.999 -3.234 1.00 0.17 C ATOM 1017 C GLU A 64 -13.643 2.141 -2.725 1.00 0.16 C ATOM 1018 O GLU A 64 -13.802 3.299 -3.122 1.00 0.18 O ATOM 1019 CB GLU A 64 -15.698 0.768 -2.320 1.00 0.21 C ATOM 1020 CG GLU A 64 -16.595 -0.363 -2.789 1.00 0.24 C ATOM 1021 CD GLU A 64 -17.007 -0.202 -4.238 1.00 0.32 C ATOM 1022 OE1 GLU A 64 -17.799 0.712 -4.536 1.00 0.47 O ATOM 1023 OE2 GLU A 64 -16.528 -0.982 -5.089 1.00 0.43 O ATOM 0 H GLU A 64 -13.971 -0.952 -2.693 1.00 0.15 H new ATOM 0 HA GLU A 64 -14.880 1.254 -4.223 1.00 0.17 H new ATOM 0 HB2 GLU A 64 -15.343 0.548 -1.313 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -16.283 1.686 -2.259 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -16.075 -1.313 -2.664 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -17.486 -0.402 -2.162 1.00 0.24 H new ATOM 1030 N ILE A 65 -12.699 1.797 -1.870 1.00 0.15 N ATOM 1031 CA ILE A 65 -11.767 2.776 -1.360 1.00 0.16 C ATOM 1032 C ILE A 65 -10.727 3.146 -2.422 1.00 0.15 C ATOM 1033 O ILE A 65 -10.349 4.312 -2.544 1.00 0.16 O ATOM 1034 CB ILE A 65 -11.081 2.274 -0.083 1.00 0.19 C ATOM 1035 CG1 ILE A 65 -12.139 1.817 0.923 1.00 0.24 C ATOM 1036 CG2 ILE A 65 -10.216 3.375 0.517 1.00 0.25 C ATOM 1037 CD1 ILE A 65 -11.572 1.043 2.086 1.00 0.69 C ATOM 0 H ILE A 65 -12.560 0.850 -1.517 1.00 0.15 H new ATOM 0 HA ILE A 65 -12.332 3.673 -1.109 1.00 0.16 H new ATOM 0 HB ILE A 65 -10.439 1.429 -0.329 1.00 0.19 H new ATOM 0 HG12 ILE A 65 -12.669 2.691 1.303 1.00 0.24 H new ATOM 0 HG13 ILE A 65 -12.874 1.197 0.409 1.00 0.24 H new ATOM 0 HG21 ILE A 65 -9.734 3.006 1.423 1.00 0.25 H new ATOM 0 HG22 ILE A 65 -9.454 3.673 -0.204 1.00 0.25 H new ATOM 0 HG23 ILE A 65 -10.840 4.235 0.762 1.00 0.25 H new ATOM 0 HD11 ILE A 65 -12.380 0.752 2.758 1.00 0.69 H new ATOM 0 HD12 ILE A 65 -11.067 0.150 1.717 1.00 0.69 H new ATOM 0 HD13 ILE A 65 -10.859 1.667 2.625 1.00 0.69 H new ATOM 1049 N LEU A 66 -10.281 2.173 -3.216 1.00 0.15 N ATOM 1050 CA LEU A 66 -9.303 2.462 -4.259 1.00 0.22 C ATOM 1051 C LEU A 66 -9.916 3.345 -5.329 1.00 0.16 C ATOM 1052 O LEU A 66 -9.255 4.216 -5.864 1.00 0.15 O ATOM 1053 CB LEU A 66 -8.691 1.181 -4.877 1.00 0.43 C ATOM 1054 CG LEU A 66 -9.562 0.349 -5.838 1.00 0.59 C ATOM 1055 CD1 LEU A 66 -9.537 0.924 -7.249 1.00 0.86 C ATOM 1056 CD2 LEU A 66 -9.091 -1.101 -5.859 1.00 1.47 C ATOM 0 H LEU A 66 -10.575 1.198 -3.159 1.00 0.15 H new ATOM 0 HA LEU A 66 -8.480 2.999 -3.787 1.00 0.22 H new ATOM 0 HB2 LEU A 66 -7.786 1.469 -5.412 1.00 0.43 H new ATOM 0 HB3 LEU A 66 -8.384 0.530 -4.058 1.00 0.43 H new ATOM 0 HG LEU A 66 -10.589 0.388 -5.474 1.00 0.59 H new ATOM 0 HD11 LEU A 66 -10.161 0.314 -7.902 1.00 0.86 H new ATOM 0 HD12 LEU A 66 -9.918 1.945 -7.233 1.00 0.86 H new ATOM 0 HD13 LEU A 66 -8.513 0.925 -7.623 1.00 0.86 H new ATOM 0 HD21 LEU A 66 -9.716 -1.677 -6.542 1.00 1.47 H new ATOM 0 HD22 LEU A 66 -8.054 -1.142 -6.193 1.00 1.47 H new ATOM 0 HD23 LEU A 66 -9.166 -1.522 -4.857 1.00 1.47 H new ATOM 1068 N LYS A 67 -11.187 3.137 -5.629 1.00 0.17 N ATOM 1069 CA LYS A 67 -11.832 3.909 -6.677 1.00 0.17 C ATOM 1070 C LYS A 67 -12.153 5.318 -6.203 1.00 0.14 C ATOM 1071 O LYS A 67 -12.085 6.261 -6.983 1.00 0.15 O ATOM 1072 CB LYS A 67 -13.084 3.203 -7.191 1.00 0.22 C ATOM 1073 CG LYS A 67 -14.058 2.834 -6.096 1.00 0.19 C ATOM 1074 CD LYS A 67 -15.208 1.990 -6.623 1.00 0.27 C ATOM 1075 CE LYS A 67 -14.695 0.702 -7.253 1.00 0.42 C ATOM 1076 NZ LYS A 67 -15.790 -0.266 -7.539 1.00 0.65 N ATOM 0 H LYS A 67 -11.785 2.451 -5.169 1.00 0.17 H new ATOM 0 HA LYS A 67 -11.131 3.990 -7.508 1.00 0.17 H new ATOM 0 HB2 LYS A 67 -13.586 3.849 -7.911 1.00 0.22 H new ATOM 0 HB3 LYS A 67 -12.789 2.299 -7.724 1.00 0.22 H new ATOM 0 HG2 LYS A 67 -13.534 2.286 -5.313 1.00 0.19 H new ATOM 0 HG3 LYS A 67 -14.453 3.742 -5.640 1.00 0.19 H new ATOM 0 HD2 LYS A 67 -15.893 1.753 -5.809 1.00 0.27 H new ATOM 0 HD3 LYS A 67 -15.774 2.560 -7.360 1.00 0.27 H new ATOM 0 HE2 LYS A 67 -14.171 0.938 -8.179 1.00 0.42 H new ATOM 0 HE3 LYS A 67 -13.969 0.238 -6.585 1.00 0.42 H new ATOM 0 HZ1 LYS A 67 -15.527 -0.857 -8.354 1.00 0.65 H new ATOM 0 HZ2 LYS A 67 -15.944 -0.872 -6.708 1.00 0.65 H new ATOM 0 HZ3 LYS A 67 -16.665 0.253 -7.756 1.00 0.65 H new ATOM 1090 N ARG A 68 -12.499 5.477 -4.932 1.00 0.13 N ATOM 1091 CA ARG A 68 -12.664 6.823 -4.394 1.00 0.14 C ATOM 1092 C ARG A 68 -11.326 7.566 -4.351 1.00 0.12 C ATOM 1093 O ARG A 68 -11.268 8.776 -4.575 1.00 0.15 O ATOM 1094 CB ARG A 68 -13.359 6.820 -3.017 1.00 0.16 C ATOM 1095 CG ARG A 68 -12.623 6.068 -1.928 1.00 0.25 C ATOM 1096 CD ARG A 68 -13.567 5.606 -0.827 1.00 0.37 C ATOM 1097 NE ARG A 68 -14.372 6.692 -0.262 1.00 1.18 N ATOM 1098 CZ ARG A 68 -15.266 6.513 0.713 1.00 1.28 C ATOM 1099 NH1 ARG A 68 -15.463 5.301 1.222 1.00 0.98 N ATOM 1100 NH2 ARG A 68 -15.971 7.538 1.171 1.00 2.18 N ATOM 0 H ARG A 68 -12.667 4.718 -4.271 1.00 0.13 H new ATOM 0 HA ARG A 68 -13.324 7.363 -5.073 1.00 0.14 H new ATOM 0 HB2 ARG A 68 -13.497 7.852 -2.695 1.00 0.16 H new ATOM 0 HB3 ARG A 68 -14.352 6.386 -3.130 1.00 0.16 H new ATOM 0 HG2 ARG A 68 -12.117 5.204 -2.360 1.00 0.25 H new ATOM 0 HG3 ARG A 68 -11.851 6.709 -1.501 1.00 0.25 H new ATOM 0 HD2 ARG A 68 -14.232 4.839 -1.225 1.00 0.37 H new ATOM 0 HD3 ARG A 68 -12.986 5.141 -0.031 1.00 0.37 H new ATOM 0 HE ARG A 68 -14.243 7.633 -0.633 1.00 1.18 H new ATOM 0 HH11 ARG A 68 -14.931 4.506 0.868 1.00 0.98 H new ATOM 0 HH12 ARG A 68 -16.146 5.166 1.967 1.00 0.98 H new ATOM 0 HH21 ARG A 68 -15.832 8.469 0.778 1.00 2.18 H new ATOM 0 HH22 ARG A 68 -16.653 7.396 1.916 1.00 2.18 H new ATOM 1114 N MET A 69 -10.238 6.856 -4.113 1.00 0.11 N ATOM 1115 CA MET A 69 -8.938 7.497 -4.172 1.00 0.12 C ATOM 1116 C MET A 69 -8.460 7.563 -5.610 1.00 0.10 C ATOM 1117 O MET A 69 -7.526 8.278 -5.922 1.00 0.12 O ATOM 1118 CB MET A 69 -7.913 6.792 -3.294 1.00 0.15 C ATOM 1119 CG MET A 69 -7.559 5.418 -3.788 1.00 0.25 C ATOM 1120 SD MET A 69 -6.560 4.491 -2.614 1.00 0.33 S ATOM 1121 CE MET A 69 -7.485 4.744 -1.102 1.00 1.28 C ATOM 0 H MET A 69 -10.226 5.862 -3.883 1.00 0.11 H new ATOM 0 HA MET A 69 -9.046 8.510 -3.783 1.00 0.12 H new ATOM 0 HB2 MET A 69 -7.008 7.398 -3.244 1.00 0.15 H new ATOM 0 HB3 MET A 69 -8.303 6.717 -2.279 1.00 0.15 H new ATOM 0 HG2 MET A 69 -8.475 4.864 -3.996 1.00 0.25 H new ATOM 0 HG3 MET A 69 -7.018 5.504 -4.730 1.00 0.25 H new ATOM 0 HE1 MET A 69 -7.370 3.874 -0.455 1.00 1.28 H new ATOM 0 HE2 MET A 69 -7.109 5.629 -0.589 1.00 1.28 H new ATOM 0 HE3 MET A 69 -8.540 4.883 -1.340 1.00 1.28 H new ATOM 1131 N LYS A 70 -9.120 6.814 -6.478 1.00 0.08 N ATOM 1132 CA LYS A 70 -8.871 6.889 -7.905 1.00 0.10 C ATOM 1133 C LYS A 70 -9.572 8.102 -8.488 1.00 0.13 C ATOM 1134 O LYS A 70 -9.136 8.682 -9.476 1.00 0.23 O ATOM 1135 CB LYS A 70 -9.396 5.645 -8.604 1.00 0.14 C ATOM 1136 CG LYS A 70 -8.315 4.819 -9.240 1.00 0.17 C ATOM 1137 CD LYS A 70 -7.521 4.069 -8.230 1.00 0.41 C ATOM 1138 CE LYS A 70 -6.769 2.966 -8.928 1.00 0.33 C ATOM 1139 NZ LYS A 70 -5.846 3.497 -9.973 1.00 1.30 N ATOM 0 H LYS A 70 -9.839 6.141 -6.214 1.00 0.08 H new ATOM 0 HA LYS A 70 -7.795 6.967 -8.059 1.00 0.10 H new ATOM 0 HB2 LYS A 70 -9.935 5.031 -7.882 1.00 0.14 H new ATOM 0 HB3 LYS A 70 -10.114 5.942 -9.369 1.00 0.14 H new ATOM 0 HG2 LYS A 70 -8.762 4.117 -9.944 1.00 0.17 H new ATOM 0 HG3 LYS A 70 -7.653 5.468 -9.813 1.00 0.17 H new ATOM 0 HD2 LYS A 70 -6.826 4.738 -7.723 1.00 0.41 H new ATOM 0 HD3 LYS A 70 -8.178 3.654 -7.466 1.00 0.41 H new ATOM 0 HE2 LYS A 70 -6.198 2.396 -8.195 1.00 0.33 H new ATOM 0 HE3 LYS A 70 -7.478 2.277 -9.386 1.00 0.33 H new ATOM 0 HZ1 LYS A 70 -5.373 2.705 -10.453 1.00 1.30 H new ATOM 0 HZ2 LYS A 70 -6.389 4.048 -10.668 1.00 1.30 H new ATOM 0 HZ3 LYS A 70 -5.132 4.108 -9.528 1.00 1.30 H new ATOM 1153 N VAL A 71 -10.679 8.478 -7.878 1.00 0.13 N ATOM 1154 CA VAL A 71 -11.450 9.603 -8.368 1.00 0.18 C ATOM 1155 C VAL A 71 -10.781 10.887 -7.931 1.00 0.15 C ATOM 1156 O VAL A 71 -10.761 11.883 -8.655 1.00 0.16 O ATOM 1157 CB VAL A 71 -12.911 9.544 -7.881 1.00 0.26 C ATOM 1158 CG1 VAL A 71 -13.063 10.033 -6.457 1.00 0.87 C ATOM 1159 CG2 VAL A 71 -13.833 10.299 -8.822 1.00 1.03 C ATOM 0 H VAL A 71 -11.062 8.025 -7.048 1.00 0.13 H new ATOM 0 HA VAL A 71 -11.480 9.563 -9.457 1.00 0.18 H new ATOM 0 HB VAL A 71 -13.205 8.494 -7.887 1.00 0.26 H new ATOM 0 HG11 VAL A 71 -14.110 9.972 -6.161 1.00 0.87 H new ATOM 0 HG12 VAL A 71 -12.461 9.412 -5.793 1.00 0.87 H new ATOM 0 HG13 VAL A 71 -12.727 11.068 -6.390 1.00 0.87 H new ATOM 0 HG21 VAL A 71 -14.857 10.240 -8.453 1.00 1.03 H new ATOM 0 HG22 VAL A 71 -13.525 11.343 -8.873 1.00 1.03 H new ATOM 0 HG23 VAL A 71 -13.780 9.856 -9.817 1.00 1.03 H new ATOM 1169 N ILE A 72 -10.203 10.842 -6.744 1.00 0.13 N ATOM 1170 CA ILE A 72 -9.400 11.954 -6.272 1.00 0.14 C ATOM 1171 C ILE A 72 -7.996 11.878 -6.875 1.00 0.15 C ATOM 1172 O ILE A 72 -7.363 12.907 -7.104 1.00 0.26 O ATOM 1173 CB ILE A 72 -9.333 12.037 -4.721 1.00 0.16 C ATOM 1174 CG1 ILE A 72 -8.700 10.784 -4.120 1.00 0.13 C ATOM 1175 CG2 ILE A 72 -10.729 12.250 -4.145 1.00 0.22 C ATOM 1176 CD1 ILE A 72 -8.705 10.783 -2.607 1.00 0.14 C ATOM 0 H ILE A 72 -10.273 10.057 -6.096 1.00 0.13 H new ATOM 0 HA ILE A 72 -9.889 12.869 -6.606 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.703 12.887 -4.459 1.00 0.16 H new ATOM 0 HG12 ILE A 72 -9.236 9.906 -4.480 1.00 0.13 H new ATOM 0 HG13 ILE A 72 -7.673 10.698 -4.474 1.00 0.13 H new ATOM 0 HG21 ILE A 72 -10.669 12.307 -3.058 1.00 0.22 H new ATOM 0 HG22 ILE A 72 -11.145 13.179 -4.534 1.00 0.22 H new ATOM 0 HG23 ILE A 72 -11.371 11.417 -4.430 1.00 0.22 H new ATOM 0 HD11 ILE A 72 -8.242 9.866 -2.242 1.00 0.14 H new ATOM 0 HD12 ILE A 72 -8.145 11.643 -2.241 1.00 0.14 H new ATOM 0 HD13 ILE A 72 -9.732 10.839 -2.247 1.00 0.14 H new ATOM 1188 N ASP A 73 -7.542 10.655 -7.184 1.00 0.11 N ATOM 1189 CA ASP A 73 -6.214 10.434 -7.766 1.00 0.12 C ATOM 1190 C ASP A 73 -6.106 9.110 -8.513 1.00 0.13 C ATOM 1191 O ASP A 73 -5.688 8.120 -7.948 1.00 0.17 O ATOM 1192 CB ASP A 73 -5.132 10.433 -6.684 1.00 0.20 C ATOM 1193 CG ASP A 73 -4.683 11.820 -6.289 1.00 0.61 C ATOM 1194 OD1 ASP A 73 -3.951 12.456 -7.079 1.00 0.76 O ATOM 1195 OD2 ASP A 73 -5.066 12.285 -5.200 1.00 1.08 O ATOM 0 H ASP A 73 -8.080 9.801 -7.039 1.00 0.11 H new ATOM 0 HA ASP A 73 -6.068 11.255 -8.467 1.00 0.12 H new ATOM 0 HB2 ASP A 73 -5.510 9.916 -5.802 1.00 0.20 H new ATOM 0 HB3 ASP A 73 -4.271 9.867 -7.041 1.00 0.20 H new ATOM 1200 N GLU A 74 -6.423 9.080 -9.795 1.00 0.13 N ATOM 1201 CA GLU A 74 -6.232 7.845 -10.565 1.00 0.16 C ATOM 1202 C GLU A 74 -4.745 7.630 -10.839 1.00 0.18 C ATOM 1203 O GLU A 74 -4.345 6.665 -11.491 1.00 0.24 O ATOM 1204 CB GLU A 74 -7.007 7.848 -11.876 1.00 0.18 C ATOM 1205 CG GLU A 74 -8.198 6.909 -11.870 1.00 0.52 C ATOM 1206 CD GLU A 74 -7.882 5.580 -12.533 1.00 1.26 C ATOM 1207 OE1 GLU A 74 -7.082 4.801 -11.974 1.00 1.67 O ATOM 1208 OE2 GLU A 74 -8.419 5.315 -13.630 1.00 1.78 O ATOM 0 H GLU A 74 -6.803 9.867 -10.321 1.00 0.13 H new ATOM 0 HA GLU A 74 -6.623 7.025 -9.963 1.00 0.16 H new ATOM 0 HB2 GLU A 74 -7.352 8.861 -12.084 1.00 0.18 H new ATOM 0 HB3 GLU A 74 -6.336 7.567 -12.688 1.00 0.18 H new ATOM 0 HG2 GLU A 74 -8.516 6.734 -10.842 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -9.034 7.381 -12.386 1.00 0.52 H new ATOM 1215 N ASN A 75 -3.940 8.545 -10.317 1.00 0.17 N ATOM 1216 CA ASN A 75 -2.488 8.424 -10.344 1.00 0.21 C ATOM 1217 C ASN A 75 -2.102 7.323 -9.392 1.00 0.20 C ATOM 1218 O ASN A 75 -1.088 6.637 -9.540 1.00 0.27 O ATOM 1219 CB ASN A 75 -1.846 9.741 -9.897 1.00 0.24 C ATOM 1220 CG ASN A 75 -0.507 9.550 -9.203 1.00 0.26 C ATOM 1221 OD1 ASN A 75 0.543 9.553 -9.843 1.00 0.35 O ATOM 1222 ND2 ASN A 75 -0.544 9.396 -7.882 1.00 0.22 N ATOM 0 H ASN A 75 -4.275 9.394 -9.862 1.00 0.17 H new ATOM 0 HA ASN A 75 -2.144 8.197 -11.353 1.00 0.21 H new ATOM 0 HB2 ASN A 75 -1.709 10.384 -10.766 1.00 0.24 H new ATOM 0 HB3 ASN A 75 -2.527 10.259 -9.222 1.00 0.24 H new ATOM 0 HD21 ASN A 75 0.323 9.274 -7.358 1.00 0.22 H new ATOM 0 HD22 ASN A 75 -1.439 9.400 -7.393 1.00 0.22 H new ATOM 1229 N ILE A 76 -2.971 7.169 -8.426 1.00 0.16 N ATOM 1230 CA ILE A 76 -2.771 6.287 -7.321 1.00 0.16 C ATOM 1231 C ILE A 76 -2.949 4.846 -7.741 1.00 0.17 C ATOM 1232 O ILE A 76 -3.563 4.543 -8.772 1.00 0.21 O ATOM 1233 CB ILE A 76 -3.788 6.633 -6.227 1.00 0.16 C ATOM 1234 CG1 ILE A 76 -3.198 6.480 -4.844 1.00 0.16 C ATOM 1235 CG2 ILE A 76 -5.047 5.782 -6.345 1.00 0.18 C ATOM 1236 CD1 ILE A 76 -4.046 7.153 -3.794 1.00 0.19 C ATOM 0 H ILE A 76 -3.859 7.670 -8.392 1.00 0.16 H new ATOM 0 HA ILE A 76 -1.754 6.408 -6.948 1.00 0.16 H new ATOM 0 HB ILE A 76 -4.057 7.679 -6.374 1.00 0.16 H new ATOM 0 HG12 ILE A 76 -3.099 5.421 -4.607 1.00 0.16 H new ATOM 0 HG13 ILE A 76 -2.195 6.906 -4.828 1.00 0.16 H new ATOM 0 HG21 ILE A 76 -5.746 6.054 -5.554 1.00 0.18 H new ATOM 0 HG22 ILE A 76 -5.513 5.954 -7.315 1.00 0.18 H new ATOM 0 HG23 ILE A 76 -4.784 4.728 -6.250 1.00 0.18 H new ATOM 0 HD11 ILE A 76 -3.587 7.019 -2.815 1.00 0.19 H new ATOM 0 HD12 ILE A 76 -4.124 8.217 -4.016 1.00 0.19 H new ATOM 0 HD13 ILE A 76 -5.042 6.709 -3.791 1.00 0.19 H new ATOM 1248 N ARG A 77 -2.427 3.970 -6.932 1.00 0.15 N ATOM 1249 CA ARG A 77 -2.632 2.567 -7.106 1.00 0.15 C ATOM 1250 C ARG A 77 -2.853 1.957 -5.746 1.00 0.14 C ATOM 1251 O ARG A 77 -2.695 2.636 -4.731 1.00 0.16 O ATOM 1252 CB ARG A 77 -1.434 1.932 -7.785 1.00 0.16 C ATOM 1253 CG ARG A 77 -0.161 2.062 -7.001 1.00 0.17 C ATOM 1254 CD ARG A 77 0.977 2.389 -7.930 1.00 0.28 C ATOM 1255 NE ARG A 77 1.199 3.829 -8.047 1.00 0.55 N ATOM 1256 CZ ARG A 77 1.979 4.398 -8.970 1.00 0.65 C ATOM 1257 NH1 ARG A 77 2.587 3.659 -9.889 1.00 0.96 N ATOM 1258 NH2 ARG A 77 2.151 5.711 -8.976 1.00 1.08 N ATOM 0 H ARG A 77 -1.845 4.213 -6.130 1.00 0.15 H new ATOM 0 HA ARG A 77 -3.500 2.392 -7.742 1.00 0.15 H new ATOM 0 HB2 ARG A 77 -1.641 0.875 -7.954 1.00 0.16 H new ATOM 0 HB3 ARG A 77 -1.296 2.391 -8.764 1.00 0.16 H new ATOM 0 HG2 ARG A 77 -0.265 2.844 -6.248 1.00 0.17 H new ATOM 0 HG3 ARG A 77 0.046 1.133 -6.470 1.00 0.17 H new ATOM 0 HD2 ARG A 77 1.887 1.911 -7.568 1.00 0.28 H new ATOM 0 HD3 ARG A 77 0.769 1.974 -8.916 1.00 0.28 H new ATOM 0 HE ARG A 77 0.727 4.440 -7.380 1.00 0.55 H new ATOM 0 HH11 ARG A 77 2.461 2.647 -9.895 1.00 0.96 H new ATOM 0 HH12 ARG A 77 3.181 4.103 -10.590 1.00 0.96 H new ATOM 0 HH21 ARG A 77 1.688 6.289 -8.275 1.00 1.08 H new ATOM 0 HH22 ARG A 77 2.747 6.144 -9.681 1.00 1.08 H new ATOM 1272 N VAL A 78 -3.174 0.688 -5.704 1.00 0.14 N ATOM 1273 CA VAL A 78 -3.532 0.072 -4.446 1.00 0.15 C ATOM 1274 C VAL A 78 -2.933 -1.307 -4.316 1.00 0.16 C ATOM 1275 O VAL A 78 -2.706 -2.004 -5.298 1.00 0.31 O ATOM 1276 CB VAL A 78 -5.063 0.016 -4.262 1.00 0.30 C ATOM 1277 CG1 VAL A 78 -5.559 1.300 -3.627 1.00 0.79 C ATOM 1278 CG2 VAL A 78 -5.750 -0.183 -5.593 1.00 0.43 C ATOM 0 H VAL A 78 -3.196 0.067 -6.513 1.00 0.14 H new ATOM 0 HA VAL A 78 -3.118 0.696 -3.654 1.00 0.15 H new ATOM 0 HB VAL A 78 -5.299 -0.826 -3.611 1.00 0.30 H new ATOM 0 HG11 VAL A 78 -6.641 1.250 -3.502 1.00 0.79 H new ATOM 0 HG12 VAL A 78 -5.087 1.431 -2.653 1.00 0.79 H new ATOM 0 HG13 VAL A 78 -5.307 2.144 -4.269 1.00 0.79 H new ATOM 0 HG21 VAL A 78 -6.829 -0.220 -5.444 1.00 0.43 H new ATOM 0 HG22 VAL A 78 -5.504 0.646 -6.257 1.00 0.43 H new ATOM 0 HG23 VAL A 78 -5.413 -1.118 -6.040 1.00 0.43 H new ATOM 1288 N ILE A 79 -2.633 -1.665 -3.098 1.00 0.10 N ATOM 1289 CA ILE A 79 -2.116 -2.970 -2.785 1.00 0.09 C ATOM 1290 C ILE A 79 -3.079 -3.636 -1.833 1.00 0.09 C ATOM 1291 O ILE A 79 -2.841 -3.711 -0.629 1.00 0.11 O ATOM 1292 CB ILE A 79 -0.727 -2.876 -2.131 1.00 0.11 C ATOM 1293 CG1 ILE A 79 0.238 -2.101 -3.036 1.00 0.15 C ATOM 1294 CG2 ILE A 79 -0.179 -4.257 -1.815 1.00 0.15 C ATOM 1295 CD1 ILE A 79 1.609 -1.898 -2.431 1.00 0.60 C ATOM 0 H ILE A 79 -2.741 -1.055 -2.288 1.00 0.10 H new ATOM 0 HA ILE A 79 -2.012 -3.548 -3.704 1.00 0.09 H new ATOM 0 HB ILE A 79 -0.828 -2.335 -1.190 1.00 0.11 H new ATOM 0 HG12 ILE A 79 0.343 -2.634 -3.981 1.00 0.15 H new ATOM 0 HG13 ILE A 79 -0.196 -1.128 -3.266 1.00 0.15 H new ATOM 0 HG21 ILE A 79 0.804 -4.162 -1.353 1.00 0.15 H new ATOM 0 HG22 ILE A 79 -0.854 -4.768 -1.129 1.00 0.15 H new ATOM 0 HG23 ILE A 79 -0.093 -4.834 -2.736 1.00 0.15 H new ATOM 0 HD11 ILE A 79 2.236 -1.343 -3.129 1.00 0.60 H new ATOM 0 HD12 ILE A 79 1.517 -1.338 -1.501 1.00 0.60 H new ATOM 0 HD13 ILE A 79 2.064 -2.867 -2.227 1.00 0.60 H new ATOM 1307 N ILE A 80 -4.212 -4.027 -2.364 1.00 0.09 N ATOM 1308 CA ILE A 80 -5.275 -4.540 -1.510 1.00 0.10 C ATOM 1309 C ILE A 80 -4.907 -5.886 -0.896 1.00 0.12 C ATOM 1310 O ILE A 80 -4.264 -6.727 -1.523 1.00 0.14 O ATOM 1311 CB ILE A 80 -6.668 -4.617 -2.200 1.00 0.12 C ATOM 1312 CG1 ILE A 80 -6.799 -5.862 -3.094 1.00 0.13 C ATOM 1313 CG2 ILE A 80 -6.919 -3.353 -3.017 1.00 0.12 C ATOM 1314 CD1 ILE A 80 -5.904 -5.853 -4.314 1.00 0.13 C ATOM 0 H ILE A 80 -4.427 -4.004 -3.361 1.00 0.09 H new ATOM 0 HA ILE A 80 -5.372 -3.802 -0.713 1.00 0.10 H new ATOM 0 HB ILE A 80 -7.420 -4.697 -1.415 1.00 0.12 H new ATOM 0 HG12 ILE A 80 -6.573 -6.747 -2.499 1.00 0.13 H new ATOM 0 HG13 ILE A 80 -7.835 -5.953 -3.419 1.00 0.13 H new ATOM 0 HG21 ILE A 80 -7.896 -3.417 -3.496 1.00 0.12 H new ATOM 0 HG22 ILE A 80 -6.893 -2.484 -2.360 1.00 0.12 H new ATOM 0 HG23 ILE A 80 -6.147 -3.254 -3.780 1.00 0.12 H new ATOM 0 HD11 ILE A 80 -6.061 -6.767 -4.887 1.00 0.13 H new ATOM 0 HD12 ILE A 80 -6.144 -4.990 -4.935 1.00 0.13 H new ATOM 0 HD13 ILE A 80 -4.862 -5.796 -4.000 1.00 0.13 H new ATOM 1326 N MET A 81 -5.300 -6.056 0.351 1.00 0.15 N ATOM 1327 CA MET A 81 -4.972 -7.255 1.109 1.00 0.21 C ATOM 1328 C MET A 81 -6.166 -8.191 1.171 1.00 0.20 C ATOM 1329 O MET A 81 -7.299 -7.760 1.396 1.00 0.36 O ATOM 1330 CB MET A 81 -4.504 -6.895 2.511 1.00 0.31 C ATOM 1331 CG MET A 81 -3.472 -5.774 2.526 1.00 0.43 C ATOM 1332 SD MET A 81 -2.153 -6.021 3.738 1.00 0.80 S ATOM 1333 CE MET A 81 -3.070 -5.988 5.276 1.00 1.88 C ATOM 0 H MET A 81 -5.853 -5.373 0.868 1.00 0.15 H new ATOM 0 HA MET A 81 -4.158 -7.768 0.598 1.00 0.21 H new ATOM 0 HB2 MET A 81 -5.365 -6.597 3.110 1.00 0.31 H new ATOM 0 HB3 MET A 81 -4.078 -7.780 2.984 1.00 0.31 H new ATOM 0 HG2 MET A 81 -3.030 -5.685 1.534 1.00 0.43 H new ATOM 0 HG3 MET A 81 -3.976 -4.831 2.737 1.00 0.43 H new ATOM 0 HE1 MET A 81 -2.445 -5.567 6.063 1.00 1.88 H new ATOM 0 HE2 MET A 81 -3.963 -5.374 5.154 1.00 1.88 H new ATOM 0 HE3 MET A 81 -3.362 -7.003 5.548 1.00 1.88 H new ATOM 1343 N THR A 82 -5.909 -9.469 0.947 1.00 0.25 N ATOM 1344 CA THR A 82 -6.967 -10.458 0.859 1.00 0.30 C ATOM 1345 C THR A 82 -6.670 -11.707 1.671 1.00 0.31 C ATOM 1346 O THR A 82 -5.527 -11.977 2.041 1.00 0.35 O ATOM 1347 CB THR A 82 -7.214 -10.845 -0.605 1.00 0.47 C ATOM 1348 OG1 THR A 82 -8.128 -11.952 -0.698 1.00 1.13 O ATOM 1349 CG2 THR A 82 -5.908 -11.187 -1.313 1.00 0.91 C ATOM 0 H THR A 82 -4.970 -9.846 0.822 1.00 0.25 H new ATOM 0 HA THR A 82 -7.861 -9.998 1.279 1.00 0.30 H new ATOM 0 HB THR A 82 -7.659 -9.982 -1.100 1.00 0.47 H new ATOM 0 HG1 THR A 82 -8.908 -11.780 -0.131 1.00 1.13 H new ATOM 0 HG21 THR A 82 -6.115 -11.457 -2.348 1.00 0.91 H new ATOM 0 HG22 THR A 82 -5.244 -10.323 -1.289 1.00 0.91 H new ATOM 0 HG23 THR A 82 -5.429 -12.026 -0.808 1.00 0.91 H new ATOM 1357 N ALA A 83 -7.724 -12.462 1.942 1.00 0.33 N ATOM 1358 CA ALA A 83 -7.605 -13.794 2.516 1.00 0.40 C ATOM 1359 C ALA A 83 -7.108 -14.792 1.464 1.00 0.45 C ATOM 1360 O ALA A 83 -7.726 -15.831 1.232 1.00 0.54 O ATOM 1361 CB ALA A 83 -8.943 -14.235 3.081 1.00 0.47 C ATOM 0 H ALA A 83 -8.686 -12.169 1.770 1.00 0.33 H new ATOM 0 HA ALA A 83 -6.875 -13.764 3.325 1.00 0.40 H new ATOM 0 HB1 ALA A 83 -8.846 -15.233 3.509 1.00 0.47 H new ATOM 0 HB2 ALA A 83 -9.259 -13.537 3.856 1.00 0.47 H new ATOM 0 HB3 ALA A 83 -9.686 -14.253 2.284 1.00 0.47 H new ATOM 1367 N TYR A 84 -5.991 -14.433 0.831 1.00 0.45 N ATOM 1368 CA TYR A 84 -5.301 -15.276 -0.148 1.00 0.55 C ATOM 1369 C TYR A 84 -6.063 -15.356 -1.481 1.00 0.56 C ATOM 1370 O TYR A 84 -5.987 -16.351 -2.202 1.00 0.77 O ATOM 1371 CB TYR A 84 -5.029 -16.671 0.439 1.00 0.69 C ATOM 1372 CG TYR A 84 -4.069 -17.521 -0.371 1.00 1.26 C ATOM 1373 CD1 TYR A 84 -2.789 -17.071 -0.675 1.00 1.92 C ATOM 1374 CD2 TYR A 84 -4.447 -18.775 -0.827 1.00 2.03 C ATOM 1375 CE1 TYR A 84 -1.916 -17.850 -1.412 1.00 2.83 C ATOM 1376 CE2 TYR A 84 -3.581 -19.559 -1.563 1.00 2.97 C ATOM 1377 CZ TYR A 84 -2.318 -19.094 -1.855 1.00 3.26 C ATOM 1378 OH TYR A 84 -1.456 -19.878 -2.591 1.00 4.30 O ATOM 0 H TYR A 84 -5.533 -13.535 0.986 1.00 0.45 H new ATOM 0 HA TYR A 84 -4.341 -14.810 -0.371 1.00 0.55 H new ATOM 0 HB2 TYR A 84 -4.630 -16.555 1.447 1.00 0.69 H new ATOM 0 HB3 TYR A 84 -5.976 -17.203 0.531 1.00 0.69 H new ATOM 0 HD1 TYR A 84 -2.472 -16.098 -0.330 1.00 1.92 H new ATOM 0 HD2 TYR A 84 -5.436 -19.145 -0.602 1.00 2.03 H new ATOM 0 HE1 TYR A 84 -0.925 -17.487 -1.640 1.00 2.83 H new ATOM 0 HE2 TYR A 84 -3.893 -20.534 -1.909 1.00 2.97 H new ATOM 0 HH TYR A 84 -1.897 -20.722 -2.821 1.00 4.30 H new ATOM 1388 N GLY A 85 -6.773 -14.287 -1.817 1.00 0.52 N ATOM 1389 CA GLY A 85 -7.381 -14.179 -3.131 1.00 0.56 C ATOM 1390 C GLY A 85 -8.737 -14.836 -3.206 1.00 0.55 C ATOM 1391 O GLY A 85 -8.898 -15.921 -3.764 1.00 0.62 O ATOM 0 H GLY A 85 -6.940 -13.490 -1.202 1.00 0.52 H new ATOM 0 HA2 GLY A 85 -7.478 -13.126 -3.396 1.00 0.56 H new ATOM 0 HA3 GLY A 85 -6.721 -14.634 -3.870 1.00 0.56 H new ATOM 1395 N GLU A 86 -9.708 -14.145 -2.650 1.00 0.55 N ATOM 1396 CA GLU A 86 -11.087 -14.605 -2.586 1.00 0.62 C ATOM 1397 C GLU A 86 -11.836 -14.349 -3.904 1.00 0.68 C ATOM 1398 O GLU A 86 -13.059 -14.481 -3.971 1.00 1.05 O ATOM 1399 CB GLU A 86 -11.745 -13.869 -1.422 1.00 0.72 C ATOM 1400 CG GLU A 86 -10.849 -13.855 -0.193 1.00 0.74 C ATOM 1401 CD GLU A 86 -11.229 -12.803 0.823 1.00 1.04 C ATOM 1402 OE1 GLU A 86 -12.310 -12.922 1.441 1.00 1.33 O ATOM 1403 OE2 GLU A 86 -10.430 -11.861 1.021 1.00 1.17 O ATOM 0 H GLU A 86 -9.564 -13.231 -2.221 1.00 0.55 H new ATOM 0 HA GLU A 86 -11.120 -15.683 -2.431 1.00 0.62 H new ATOM 0 HB2 GLU A 86 -11.972 -12.845 -1.719 1.00 0.72 H new ATOM 0 HB3 GLU A 86 -12.693 -14.348 -1.177 1.00 0.72 H new ATOM 0 HG2 GLU A 86 -10.883 -14.835 0.282 1.00 0.74 H new ATOM 0 HG3 GLU A 86 -9.819 -13.689 -0.507 1.00 0.74 H new ATOM 1410 N LEU A 87 -11.073 -13.999 -4.943 1.00 0.71 N ATOM 1411 CA LEU A 87 -11.602 -13.717 -6.287 1.00 0.73 C ATOM 1412 C LEU A 87 -12.704 -12.652 -6.296 1.00 0.74 C ATOM 1413 O LEU A 87 -12.908 -11.942 -5.308 1.00 0.72 O ATOM 1414 CB LEU A 87 -12.092 -14.999 -6.961 1.00 0.85 C ATOM 1415 CG LEU A 87 -10.983 -15.897 -7.510 1.00 1.14 C ATOM 1416 CD1 LEU A 87 -11.574 -17.068 -8.276 1.00 1.48 C ATOM 1417 CD2 LEU A 87 -10.041 -15.091 -8.399 1.00 1.73 C ATOM 0 H LEU A 87 -10.060 -13.901 -4.878 1.00 0.71 H new ATOM 0 HA LEU A 87 -10.769 -13.307 -6.858 1.00 0.73 H new ATOM 0 HB2 LEU A 87 -12.680 -15.569 -6.242 1.00 0.85 H new ATOM 0 HB3 LEU A 87 -12.761 -14.731 -7.778 1.00 0.85 H new ATOM 0 HG LEU A 87 -10.411 -16.294 -6.672 1.00 1.14 H new ATOM 0 HD11 LEU A 87 -10.769 -17.696 -8.659 1.00 1.48 H new ATOM 0 HD12 LEU A 87 -12.207 -17.655 -7.611 1.00 1.48 H new ATOM 0 HD13 LEU A 87 -12.170 -16.694 -9.108 1.00 1.48 H new ATOM 0 HD21 LEU A 87 -9.256 -15.743 -8.783 1.00 1.73 H new ATOM 0 HD22 LEU A 87 -10.601 -14.667 -9.233 1.00 1.73 H new ATOM 0 HD23 LEU A 87 -9.592 -14.286 -7.817 1.00 1.73 H new ATOM 1429 N ASP A 88 -13.371 -12.527 -7.451 1.00 0.80 N ATOM 1430 CA ASP A 88 -14.448 -11.548 -7.664 1.00 0.85 C ATOM 1431 C ASP A 88 -13.947 -10.126 -7.417 1.00 0.74 C ATOM 1432 O ASP A 88 -13.322 -9.514 -8.287 1.00 0.67 O ATOM 1433 CB ASP A 88 -15.649 -11.860 -6.755 1.00 1.01 C ATOM 1434 CG ASP A 88 -16.900 -11.068 -7.105 1.00 1.03 C ATOM 1435 OD1 ASP A 88 -17.012 -9.900 -6.681 1.00 1.38 O ATOM 1436 OD2 ASP A 88 -17.788 -11.629 -7.784 1.00 1.38 O ATOM 0 H ASP A 88 -13.178 -13.105 -8.269 1.00 0.80 H new ATOM 0 HA ASP A 88 -14.771 -11.620 -8.702 1.00 0.85 H new ATOM 0 HB2 ASP A 88 -15.874 -12.925 -6.817 1.00 1.01 H new ATOM 0 HB3 ASP A 88 -15.375 -11.652 -5.721 1.00 1.01 H new ATOM 1441 N MET A 89 -14.212 -9.629 -6.217 1.00 0.76 N ATOM 1442 CA MET A 89 -13.708 -8.353 -5.741 1.00 0.73 C ATOM 1443 C MET A 89 -12.198 -8.267 -5.925 1.00 0.57 C ATOM 1444 O MET A 89 -11.659 -7.214 -6.249 1.00 0.53 O ATOM 1445 CB MET A 89 -14.062 -8.202 -4.261 1.00 0.87 C ATOM 1446 CG MET A 89 -15.552 -8.294 -3.986 1.00 1.58 C ATOM 1447 SD MET A 89 -15.948 -8.196 -2.231 1.00 1.63 S ATOM 1448 CE MET A 89 -15.080 -9.633 -1.604 1.00 2.72 C ATOM 0 H MET A 89 -14.796 -10.113 -5.535 1.00 0.76 H new ATOM 0 HA MET A 89 -14.166 -7.549 -6.318 1.00 0.73 H new ATOM 0 HB2 MET A 89 -13.546 -8.975 -3.691 1.00 0.87 H new ATOM 0 HB3 MET A 89 -13.692 -7.241 -3.903 1.00 0.87 H new ATOM 0 HG2 MET A 89 -16.064 -7.490 -4.514 1.00 1.58 H new ATOM 0 HG3 MET A 89 -15.933 -9.233 -4.388 1.00 1.58 H new ATOM 0 HE1 MET A 89 -15.509 -9.928 -0.646 1.00 2.72 H new ATOM 0 HE2 MET A 89 -15.177 -10.455 -2.314 1.00 2.72 H new ATOM 0 HE3 MET A 89 -14.026 -9.391 -1.470 1.00 2.72 H new ATOM 1458 N ILE A 90 -11.532 -9.394 -5.717 1.00 0.53 N ATOM 1459 CA ILE A 90 -10.089 -9.495 -5.906 1.00 0.45 C ATOM 1460 C ILE A 90 -9.698 -9.142 -7.330 1.00 0.42 C ATOM 1461 O ILE A 90 -8.775 -8.360 -7.557 1.00 0.51 O ATOM 1462 CB ILE A 90 -9.615 -10.922 -5.607 1.00 0.48 C ATOM 1463 CG1 ILE A 90 -9.876 -11.253 -4.144 1.00 0.58 C ATOM 1464 CG2 ILE A 90 -8.138 -11.099 -5.949 1.00 0.49 C ATOM 1465 CD1 ILE A 90 -9.034 -10.448 -3.193 1.00 0.67 C ATOM 0 H ILE A 90 -11.973 -10.262 -5.414 1.00 0.53 H new ATOM 0 HA ILE A 90 -9.617 -8.792 -5.220 1.00 0.45 H new ATOM 0 HB ILE A 90 -10.178 -11.613 -6.234 1.00 0.48 H new ATOM 0 HG12 ILE A 90 -10.929 -11.080 -3.922 1.00 0.58 H new ATOM 0 HG13 ILE A 90 -9.685 -12.313 -3.979 1.00 0.58 H new ATOM 0 HG21 ILE A 90 -7.833 -12.121 -5.726 1.00 0.49 H new ATOM 0 HG22 ILE A 90 -7.983 -10.898 -7.009 1.00 0.49 H new ATOM 0 HG23 ILE A 90 -7.542 -10.405 -5.357 1.00 0.49 H new ATOM 0 HD11 ILE A 90 -9.270 -10.733 -2.168 1.00 0.67 H new ATOM 0 HD12 ILE A 90 -7.979 -10.639 -3.390 1.00 0.67 H new ATOM 0 HD13 ILE A 90 -9.242 -9.387 -3.331 1.00 0.67 H new ATOM 1477 N GLN A 91 -10.415 -9.725 -8.278 1.00 0.48 N ATOM 1478 CA GLN A 91 -10.149 -9.506 -9.689 1.00 0.52 C ATOM 1479 C GLN A 91 -10.317 -8.032 -10.014 1.00 0.44 C ATOM 1480 O GLN A 91 -9.402 -7.382 -10.509 1.00 0.40 O ATOM 1481 CB GLN A 91 -11.107 -10.335 -10.536 1.00 0.67 C ATOM 1482 CG GLN A 91 -11.133 -11.803 -10.148 1.00 0.79 C ATOM 1483 CD GLN A 91 -12.274 -12.562 -10.800 1.00 1.78 C ATOM 1484 OE1 GLN A 91 -13.361 -11.865 -11.090 1.00 2.50 O flip ATOM 1485 NE2 GLN A 91 -12.179 -13.763 -11.037 1.00 2.49 N flip ATOM 0 H GLN A 91 -11.192 -10.359 -8.092 1.00 0.48 H new ATOM 0 HA GLN A 91 -9.127 -9.812 -9.912 1.00 0.52 H new ATOM 0 HB2 GLN A 91 -12.112 -9.924 -10.443 1.00 0.67 H new ATOM 0 HB3 GLN A 91 -10.822 -10.248 -11.585 1.00 0.67 H new ATOM 0 HG2 GLN A 91 -10.187 -12.266 -10.429 1.00 0.79 H new ATOM 0 HG3 GLN A 91 -11.219 -11.887 -9.065 1.00 0.79 H new ATOM 0 HE21 GLN A 91 -11.323 -14.264 -10.798 1.00 2.49 H new ATOM 0 HE22 GLN A 91 -12.956 -14.260 -11.473 1.00 2.49 H new ATOM 1494 N GLU A 92 -11.494 -7.517 -9.678 1.00 0.47 N ATOM 1495 CA GLU A 92 -11.851 -6.123 -9.906 1.00 0.46 C ATOM 1496 C GLU A 92 -10.884 -5.158 -9.207 1.00 0.37 C ATOM 1497 O GLU A 92 -10.605 -4.073 -9.714 1.00 0.37 O ATOM 1498 CB GLU A 92 -13.281 -5.901 -9.421 1.00 0.58 C ATOM 1499 CG GLU A 92 -13.590 -4.463 -9.071 1.00 0.65 C ATOM 1500 CD GLU A 92 -15.073 -4.169 -8.936 1.00 0.83 C ATOM 1501 OE1 GLU A 92 -15.871 -4.718 -9.726 1.00 0.94 O ATOM 1502 OE2 GLU A 92 -15.449 -3.364 -8.058 1.00 1.27 O ATOM 0 H GLU A 92 -12.234 -8.061 -9.235 1.00 0.47 H new ATOM 0 HA GLU A 92 -11.780 -5.913 -10.973 1.00 0.46 H new ATOM 0 HB2 GLU A 92 -13.973 -6.234 -10.195 1.00 0.58 H new ATOM 0 HB3 GLU A 92 -13.459 -6.525 -8.545 1.00 0.58 H new ATOM 0 HG2 GLU A 92 -13.093 -4.212 -8.134 1.00 0.65 H new ATOM 0 HG3 GLU A 92 -13.169 -3.814 -9.839 1.00 0.65 H new ATOM 1509 N SER A 93 -10.375 -5.564 -8.051 1.00 0.34 N ATOM 1510 CA SER A 93 -9.434 -4.757 -7.282 1.00 0.34 C ATOM 1511 C SER A 93 -8.234 -4.340 -8.117 1.00 0.33 C ATOM 1512 O SER A 93 -8.095 -3.180 -8.517 1.00 0.32 O ATOM 1513 CB SER A 93 -8.940 -5.566 -6.095 1.00 0.43 C ATOM 1514 OG SER A 93 -9.867 -5.549 -5.032 1.00 1.28 O ATOM 0 H SER A 93 -10.602 -6.460 -7.620 1.00 0.34 H new ATOM 0 HA SER A 93 -9.955 -3.857 -6.955 1.00 0.34 H new ATOM 0 HB2 SER A 93 -8.760 -6.595 -6.405 1.00 0.43 H new ATOM 0 HB3 SER A 93 -7.986 -5.165 -5.753 1.00 0.43 H new ATOM 0 HG SER A 93 -10.622 -6.135 -5.247 1.00 1.28 H new ATOM 1520 N LYS A 94 -7.355 -5.302 -8.346 1.00 0.33 N ATOM 1521 CA LYS A 94 -6.181 -5.109 -9.193 1.00 0.34 C ATOM 1522 C LYS A 94 -6.575 -4.542 -10.552 1.00 0.32 C ATOM 1523 O LYS A 94 -5.871 -3.709 -11.124 1.00 0.33 O ATOM 1524 CB LYS A 94 -5.449 -6.432 -9.389 1.00 0.36 C ATOM 1525 CG LYS A 94 -6.379 -7.633 -9.448 1.00 0.37 C ATOM 1526 CD LYS A 94 -5.641 -8.914 -9.771 1.00 0.43 C ATOM 1527 CE LYS A 94 -4.660 -9.275 -8.681 1.00 1.37 C ATOM 1528 NZ LYS A 94 -4.020 -10.594 -8.923 1.00 1.91 N ATOM 0 H LYS A 94 -7.432 -6.240 -7.952 1.00 0.33 H new ATOM 0 HA LYS A 94 -5.522 -4.398 -8.695 1.00 0.34 H new ATOM 0 HB2 LYS A 94 -4.869 -6.385 -10.311 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -4.740 -6.571 -8.573 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -6.890 -7.742 -8.491 1.00 0.37 H new ATOM 0 HG3 LYS A 94 -7.147 -7.459 -10.202 1.00 0.37 H new ATOM 0 HD2 LYS A 94 -6.357 -9.725 -9.901 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -5.111 -8.802 -10.717 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -3.891 -8.505 -8.616 1.00 1.37 H new ATOM 0 HE3 LYS A 94 -5.175 -9.293 -7.721 1.00 1.37 H new ATOM 0 HZ1 LYS A 94 -3.354 -10.803 -8.152 1.00 1.91 H new ATOM 0 HZ2 LYS A 94 -4.751 -11.333 -8.960 1.00 1.91 H new ATOM 0 HZ3 LYS A 94 -3.506 -10.570 -9.827 1.00 1.91 H new ATOM 1542 N GLU A 95 -7.710 -5.008 -11.043 1.00 0.33 N ATOM 1543 CA GLU A 95 -8.270 -4.581 -12.311 1.00 0.35 C ATOM 1544 C GLU A 95 -8.467 -3.064 -12.372 1.00 0.31 C ATOM 1545 O GLU A 95 -8.230 -2.441 -13.407 1.00 0.37 O ATOM 1546 CB GLU A 95 -9.595 -5.316 -12.496 1.00 0.49 C ATOM 1547 CG GLU A 95 -10.499 -4.765 -13.565 1.00 0.56 C ATOM 1548 CD GLU A 95 -9.910 -4.875 -14.959 1.00 1.32 C ATOM 1549 OE1 GLU A 95 -9.340 -5.936 -15.294 1.00 1.84 O ATOM 1550 OE2 GLU A 95 -10.002 -3.893 -15.723 1.00 1.72 O ATOM 0 H GLU A 95 -8.277 -5.706 -10.562 1.00 0.33 H new ATOM 0 HA GLU A 95 -7.579 -4.824 -13.118 1.00 0.35 H new ATOM 0 HB2 GLU A 95 -9.382 -6.360 -12.727 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -10.133 -5.303 -11.548 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -11.451 -5.296 -13.536 1.00 0.56 H new ATOM 0 HG3 GLU A 95 -10.711 -3.718 -13.349 1.00 0.56 H new ATOM 1557 N LEU A 96 -8.875 -2.473 -11.261 1.00 0.28 N ATOM 1558 CA LEU A 96 -9.195 -1.052 -11.225 1.00 0.28 C ATOM 1559 C LEU A 96 -7.974 -0.179 -10.978 1.00 0.28 C ATOM 1560 O LEU A 96 -8.020 1.037 -11.177 1.00 0.47 O ATOM 1561 CB LEU A 96 -10.233 -0.780 -10.150 1.00 0.34 C ATOM 1562 CG LEU A 96 -11.671 -1.099 -10.540 1.00 0.55 C ATOM 1563 CD1 LEU A 96 -12.596 -0.829 -9.372 1.00 1.16 C ATOM 1564 CD2 LEU A 96 -12.094 -0.282 -11.752 1.00 1.25 C ATOM 0 H LEU A 96 -8.993 -2.955 -10.370 1.00 0.28 H new ATOM 0 HA LEU A 96 -9.589 -0.794 -12.208 1.00 0.28 H new ATOM 0 HB2 LEU A 96 -9.976 -1.361 -9.264 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -10.175 0.272 -9.869 1.00 0.34 H new ATOM 0 HG LEU A 96 -11.734 -2.155 -10.804 1.00 0.55 H new ATOM 0 HD11 LEU A 96 -13.622 -1.060 -9.659 1.00 1.16 H new ATOM 0 HD12 LEU A 96 -12.307 -1.454 -8.527 1.00 1.16 H new ATOM 0 HD13 LEU A 96 -12.526 0.221 -9.088 1.00 1.16 H new ATOM 0 HD21 LEU A 96 -13.124 -0.525 -12.013 1.00 1.25 H new ATOM 0 HD22 LEU A 96 -12.020 0.780 -11.519 1.00 1.25 H new ATOM 0 HD23 LEU A 96 -11.441 -0.515 -12.593 1.00 1.25 H new ATOM 1576 N GLY A 97 -6.892 -0.783 -10.533 1.00 0.20 N ATOM 1577 CA GLY A 97 -5.692 -0.013 -10.277 1.00 0.21 C ATOM 1578 C GLY A 97 -4.869 -0.562 -9.128 1.00 0.20 C ATOM 1579 O GLY A 97 -3.874 0.044 -8.729 1.00 0.35 O ATOM 0 H GLY A 97 -6.817 -1.783 -10.344 1.00 0.20 H new ATOM 0 HA2 GLY A 97 -5.080 0.006 -11.179 1.00 0.21 H new ATOM 0 HA3 GLY A 97 -5.969 1.018 -10.058 1.00 0.21 H new ATOM 1583 N ALA A 98 -5.284 -1.695 -8.568 1.00 0.15 N ATOM 1584 CA ALA A 98 -4.484 -2.353 -7.550 1.00 0.13 C ATOM 1585 C ALA A 98 -3.354 -3.128 -8.201 1.00 0.14 C ATOM 1586 O ALA A 98 -3.563 -3.855 -9.168 1.00 0.21 O ATOM 1587 CB ALA A 98 -5.338 -3.261 -6.667 1.00 0.17 C ATOM 0 H ALA A 98 -6.157 -2.168 -8.800 1.00 0.15 H new ATOM 0 HA ALA A 98 -4.056 -1.588 -6.902 1.00 0.13 H new ATOM 0 HB1 ALA A 98 -4.707 -3.737 -5.917 1.00 0.17 H new ATOM 0 HB2 ALA A 98 -6.107 -2.668 -6.171 1.00 0.17 H new ATOM 0 HB3 ALA A 98 -5.811 -4.027 -7.282 1.00 0.17 H new ATOM 1593 N LEU A 99 -2.154 -2.950 -7.694 1.00 0.15 N ATOM 1594 CA LEU A 99 -1.003 -3.629 -8.242 1.00 0.16 C ATOM 1595 C LEU A 99 -1.028 -5.078 -7.838 1.00 0.15 C ATOM 1596 O LEU A 99 -0.901 -5.984 -8.661 1.00 0.17 O ATOM 1597 CB LEU A 99 0.274 -3.034 -7.690 1.00 0.18 C ATOM 1598 CG LEU A 99 0.286 -1.522 -7.595 1.00 0.17 C ATOM 1599 CD1 LEU A 99 1.467 -1.057 -6.758 1.00 0.17 C ATOM 1600 CD2 LEU A 99 0.333 -0.904 -8.984 1.00 0.18 C ATOM 0 H LEU A 99 -1.951 -2.340 -6.902 1.00 0.15 H new ATOM 0 HA LEU A 99 -1.036 -3.522 -9.326 1.00 0.16 H new ATOM 0 HB2 LEU A 99 0.450 -3.447 -6.697 1.00 0.18 H new ATOM 0 HB3 LEU A 99 1.106 -3.350 -8.319 1.00 0.18 H new ATOM 0 HG LEU A 99 -0.632 -1.194 -7.107 1.00 0.17 H new ATOM 0 HD11 LEU A 99 1.464 0.031 -6.698 1.00 0.17 H new ATOM 0 HD12 LEU A 99 1.390 -1.476 -5.755 1.00 0.17 H new ATOM 0 HD13 LEU A 99 2.395 -1.392 -7.221 1.00 0.17 H new ATOM 0 HD21 LEU A 99 0.341 0.183 -8.899 1.00 0.18 H new ATOM 0 HD22 LEU A 99 1.235 -1.234 -9.499 1.00 0.18 H new ATOM 0 HD23 LEU A 99 -0.544 -1.217 -9.551 1.00 0.18 H new ATOM 1612 N THR A 100 -1.229 -5.272 -6.550 1.00 0.14 N ATOM 1613 CA THR A 100 -1.093 -6.572 -5.950 1.00 0.14 C ATOM 1614 C THR A 100 -2.174 -6.829 -4.909 1.00 0.15 C ATOM 1615 O THR A 100 -2.708 -5.900 -4.305 1.00 0.13 O ATOM 1616 CB THR A 100 0.280 -6.698 -5.270 1.00 0.16 C ATOM 1617 OG1 THR A 100 0.444 -5.613 -4.354 1.00 0.19 O ATOM 1618 CG2 THR A 100 1.411 -6.676 -6.287 1.00 0.16 C ATOM 0 H THR A 100 -1.490 -4.533 -5.897 1.00 0.14 H new ATOM 0 HA THR A 100 -1.193 -7.308 -6.748 1.00 0.14 H new ATOM 0 HB THR A 100 0.319 -7.653 -4.745 1.00 0.16 H new ATOM 0 HG1 THR A 100 0.949 -5.919 -3.572 1.00 0.19 H new ATOM 0 HG21 THR A 100 2.367 -6.767 -5.771 1.00 0.16 H new ATOM 0 HG22 THR A 100 1.293 -7.508 -6.981 1.00 0.16 H new ATOM 0 HG23 THR A 100 1.385 -5.737 -6.839 1.00 0.16 H new ATOM 1626 N ALA A 101 -2.472 -8.105 -4.719 1.00 0.26 N ATOM 1627 CA ALA A 101 -3.360 -8.545 -3.666 1.00 0.27 C ATOM 1628 C ALA A 101 -2.589 -9.430 -2.698 1.00 0.36 C ATOM 1629 O ALA A 101 -2.547 -10.651 -2.853 1.00 0.52 O ATOM 1630 CB ALA A 101 -4.556 -9.287 -4.247 1.00 0.36 C ATOM 0 H ALA A 101 -2.102 -8.862 -5.294 1.00 0.26 H new ATOM 0 HA ALA A 101 -3.741 -7.677 -3.128 1.00 0.27 H new ATOM 0 HB1 ALA A 101 -5.212 -9.610 -3.438 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -5.105 -8.625 -4.917 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -4.209 -10.158 -4.802 1.00 0.36 H new ATOM 1636 N PHE A 102 -1.932 -8.802 -1.735 1.00 0.41 N ATOM 1637 CA PHE A 102 -1.120 -9.528 -0.769 1.00 0.58 C ATOM 1638 C PHE A 102 -2.001 -10.206 0.267 1.00 0.39 C ATOM 1639 O PHE A 102 -3.062 -9.693 0.629 1.00 0.46 O ATOM 1640 CB PHE A 102 -0.107 -8.596 -0.108 1.00 0.92 C ATOM 1641 CG PHE A 102 1.124 -8.393 -0.946 1.00 1.68 C ATOM 1642 CD1 PHE A 102 1.972 -9.454 -1.216 1.00 2.38 C ATOM 1643 CD2 PHE A 102 1.427 -7.151 -1.474 1.00 2.35 C ATOM 1644 CE1 PHE A 102 3.101 -9.280 -1.993 1.00 3.38 C ATOM 1645 CE2 PHE A 102 2.554 -6.969 -2.255 1.00 3.44 C ATOM 1646 CZ PHE A 102 3.392 -8.034 -2.514 1.00 3.86 C ATOM 0 H PHE A 102 -1.945 -7.791 -1.601 1.00 0.41 H new ATOM 0 HA PHE A 102 -0.565 -10.304 -1.297 1.00 0.58 H new ATOM 0 HB2 PHE A 102 -0.576 -7.631 0.081 1.00 0.92 H new ATOM 0 HB3 PHE A 102 0.181 -9.006 0.860 1.00 0.92 H new ATOM 0 HD1 PHE A 102 1.748 -10.431 -0.814 1.00 2.38 H new ATOM 0 HD2 PHE A 102 0.776 -6.313 -1.274 1.00 2.35 H new ATOM 0 HE1 PHE A 102 3.755 -10.116 -2.193 1.00 3.38 H new ATOM 0 HE2 PHE A 102 2.778 -5.994 -2.662 1.00 3.44 H new ATOM 0 HZ PHE A 102 4.273 -7.894 -3.122 1.00 3.86 H new ATOM 1656 N ALA A 103 -1.573 -11.369 0.722 1.00 0.40 N ATOM 1657 CA ALA A 103 -2.382 -12.176 1.606 1.00 0.44 C ATOM 1658 C ALA A 103 -1.678 -12.456 2.927 1.00 0.65 C ATOM 1659 O ALA A 103 -0.658 -11.850 3.243 1.00 0.76 O ATOM 1660 CB ALA A 103 -2.710 -13.472 0.901 1.00 0.57 C ATOM 0 H ALA A 103 -0.666 -11.774 0.491 1.00 0.40 H new ATOM 0 HA ALA A 103 -3.294 -11.629 1.845 1.00 0.44 H new ATOM 0 HB1 ALA A 103 -3.321 -14.096 1.553 1.00 0.57 H new ATOM 0 HB2 ALA A 103 -3.259 -13.258 -0.016 1.00 0.57 H new ATOM 0 HB3 ALA A 103 -1.787 -13.997 0.657 1.00 0.57 H new ATOM 1666 N LYS A 104 -2.254 -13.386 3.691 1.00 0.84 N ATOM 1667 CA LYS A 104 -1.686 -13.827 4.965 1.00 1.12 C ATOM 1668 C LYS A 104 -0.220 -14.262 4.812 1.00 1.08 C ATOM 1669 O LYS A 104 0.637 -13.829 5.585 1.00 1.13 O ATOM 1670 CB LYS A 104 -2.512 -14.982 5.537 1.00 1.55 C ATOM 1671 CG LYS A 104 -4.003 -14.697 5.605 1.00 1.83 C ATOM 1672 CD LYS A 104 -4.778 -15.927 6.044 1.00 2.48 C ATOM 1673 CE LYS A 104 -4.430 -16.334 7.469 1.00 2.95 C ATOM 1674 NZ LYS A 104 -5.032 -17.643 7.832 1.00 3.35 N ATOM 0 H LYS A 104 -3.126 -13.854 3.444 1.00 0.84 H new ATOM 0 HA LYS A 104 -1.716 -12.981 5.651 1.00 1.12 H new ATOM 0 HB2 LYS A 104 -2.349 -15.870 4.926 1.00 1.55 H new ATOM 0 HB3 LYS A 104 -2.150 -15.214 6.539 1.00 1.55 H new ATOM 0 HG2 LYS A 104 -4.188 -13.879 6.302 1.00 1.83 H new ATOM 0 HG3 LYS A 104 -4.358 -14.370 4.628 1.00 1.83 H new ATOM 0 HD2 LYS A 104 -5.847 -15.727 5.974 1.00 2.48 H new ATOM 0 HD3 LYS A 104 -4.563 -16.753 5.367 1.00 2.48 H new ATOM 0 HE2 LYS A 104 -3.347 -16.390 7.577 1.00 2.95 H new ATOM 0 HE3 LYS A 104 -4.780 -15.568 8.161 1.00 2.95 H new ATOM 0 HZ1 LYS A 104 -4.772 -17.885 8.809 1.00 3.35 H new ATOM 0 HZ2 LYS A 104 -6.067 -17.583 7.754 1.00 3.35 H new ATOM 0 HZ3 LYS A 104 -4.678 -18.378 7.187 1.00 3.35 H new ATOM 1688 N PRO A 105 0.106 -15.140 3.837 1.00 1.09 N ATOM 1689 CA PRO A 105 1.497 -15.488 3.570 1.00 1.13 C ATOM 1690 C PRO A 105 2.216 -14.371 2.829 1.00 0.95 C ATOM 1691 O PRO A 105 2.099 -14.232 1.609 1.00 0.91 O ATOM 1692 CB PRO A 105 1.394 -16.736 2.700 1.00 1.28 C ATOM 1693 CG PRO A 105 0.092 -16.593 1.996 1.00 1.36 C ATOM 1694 CD PRO A 105 -0.822 -15.878 2.952 1.00 1.17 C ATOM 0 HA PRO A 105 2.070 -15.649 4.483 1.00 1.13 H new ATOM 0 HB2 PRO A 105 2.222 -16.797 1.994 1.00 1.28 H new ATOM 0 HB3 PRO A 105 1.422 -17.644 3.303 1.00 1.28 H new ATOM 0 HG2 PRO A 105 0.209 -16.027 1.072 1.00 1.36 H new ATOM 0 HG3 PRO A 105 -0.313 -17.568 1.724 1.00 1.36 H new ATOM 0 HD2 PRO A 105 -1.499 -15.203 2.429 1.00 1.17 H new ATOM 0 HD3 PRO A 105 -1.440 -16.578 3.514 1.00 1.17 H new ATOM 1702 N PHE A 106 2.933 -13.555 3.576 1.00 0.92 N ATOM 1703 CA PHE A 106 3.709 -12.482 2.985 1.00 0.81 C ATOM 1704 C PHE A 106 5.140 -12.523 3.500 1.00 0.81 C ATOM 1705 O PHE A 106 5.384 -12.662 4.698 1.00 0.86 O ATOM 1706 CB PHE A 106 3.063 -11.113 3.260 1.00 0.76 C ATOM 1707 CG PHE A 106 3.018 -10.710 4.711 1.00 0.80 C ATOM 1708 CD1 PHE A 106 1.996 -11.147 5.537 1.00 0.98 C ATOM 1709 CD2 PHE A 106 3.995 -9.881 5.244 1.00 0.76 C ATOM 1710 CE1 PHE A 106 1.949 -10.771 6.864 1.00 1.10 C ATOM 1711 CE2 PHE A 106 3.954 -9.502 6.571 1.00 0.85 C ATOM 1712 CZ PHE A 106 2.930 -9.949 7.383 1.00 1.02 C ATOM 0 H PHE A 106 2.995 -13.614 4.592 1.00 0.92 H new ATOM 0 HA PHE A 106 3.726 -12.626 1.905 1.00 0.81 H new ATOM 0 HB2 PHE A 106 3.610 -10.352 2.704 1.00 0.76 H new ATOM 0 HB3 PHE A 106 2.045 -11.123 2.870 1.00 0.76 H new ATOM 0 HD1 PHE A 106 1.226 -11.790 5.138 1.00 0.98 H new ATOM 0 HD2 PHE A 106 4.797 -9.528 4.613 1.00 0.76 H new ATOM 0 HE1 PHE A 106 1.146 -11.119 7.496 1.00 1.10 H new ATOM 0 HE2 PHE A 106 4.721 -8.857 6.973 1.00 0.85 H new ATOM 0 HZ PHE A 106 2.896 -9.656 8.422 1.00 1.02 H new ATOM 1722 N ASP A 107 6.086 -12.405 2.586 1.00 0.79 N ATOM 1723 CA ASP A 107 7.503 -12.487 2.920 1.00 0.82 C ATOM 1724 C ASP A 107 7.973 -11.242 3.654 1.00 0.73 C ATOM 1725 O ASP A 107 9.112 -11.184 4.103 1.00 0.72 O ATOM 1726 CB ASP A 107 8.310 -12.638 1.637 1.00 0.88 C ATOM 1727 CG ASP A 107 9.696 -13.205 1.878 1.00 1.35 C ATOM 1728 OD1 ASP A 107 9.818 -14.431 2.083 1.00 1.63 O ATOM 1729 OD2 ASP A 107 10.670 -12.427 1.866 1.00 1.77 O ATOM 0 H ASP A 107 5.899 -12.250 1.595 1.00 0.79 H new ATOM 0 HA ASP A 107 7.650 -13.348 3.572 1.00 0.82 H new ATOM 0 HB2 ASP A 107 7.771 -13.289 0.948 1.00 0.88 H new ATOM 0 HB3 ASP A 107 8.399 -11.666 1.153 1.00 0.88 H new ATOM 1734 N ILE A 108 7.061 -10.275 3.784 1.00 0.73 N ATOM 1735 CA ILE A 108 7.362 -8.892 4.191 1.00 0.71 C ATOM 1736 C ILE A 108 8.274 -8.227 3.148 1.00 0.66 C ATOM 1737 O ILE A 108 7.913 -7.202 2.556 1.00 0.63 O ATOM 1738 CB ILE A 108 7.938 -8.762 5.650 1.00 0.77 C ATOM 1739 CG1 ILE A 108 7.546 -7.410 6.259 1.00 0.67 C ATOM 1740 CG2 ILE A 108 9.457 -8.919 5.727 1.00 1.33 C ATOM 1741 CD1 ILE A 108 8.183 -7.157 7.609 1.00 1.39 C ATOM 0 H ILE A 108 6.069 -10.431 3.606 1.00 0.73 H new ATOM 0 HA ILE A 108 6.412 -8.359 4.226 1.00 0.71 H new ATOM 0 HB ILE A 108 7.499 -9.584 6.216 1.00 0.77 H new ATOM 0 HG12 ILE A 108 7.834 -6.613 5.574 1.00 0.67 H new ATOM 0 HG13 ILE A 108 6.462 -7.366 6.362 1.00 0.67 H new ATOM 0 HG21 ILE A 108 9.781 -8.817 6.763 1.00 1.33 H new ATOM 0 HG22 ILE A 108 9.741 -9.903 5.353 1.00 1.33 H new ATOM 0 HG23 ILE A 108 9.934 -8.149 5.120 1.00 1.33 H new ATOM 0 HD11 ILE A 108 7.865 -6.184 7.985 1.00 1.39 H new ATOM 0 HD12 ILE A 108 7.875 -7.934 8.308 1.00 1.39 H new ATOM 0 HD13 ILE A 108 9.268 -7.170 7.507 1.00 1.39 H new ATOM 1753 N ASP A 109 9.404 -8.864 2.853 1.00 0.68 N ATOM 1754 CA ASP A 109 10.357 -8.341 1.894 1.00 0.67 C ATOM 1755 C ASP A 109 9.753 -8.311 0.510 1.00 0.62 C ATOM 1756 O ASP A 109 10.029 -7.409 -0.246 1.00 0.58 O ATOM 1757 CB ASP A 109 11.634 -9.175 1.874 1.00 0.73 C ATOM 1758 CG ASP A 109 12.674 -8.637 0.916 1.00 0.95 C ATOM 1759 OD1 ASP A 109 13.430 -7.721 1.303 1.00 1.16 O ATOM 1760 OD2 ASP A 109 12.752 -9.140 -0.223 1.00 1.08 O ATOM 0 H ASP A 109 9.679 -9.752 3.273 1.00 0.68 H new ATOM 0 HA ASP A 109 10.609 -7.326 2.200 1.00 0.67 H new ATOM 0 HB2 ASP A 109 12.056 -9.209 2.879 1.00 0.73 H new ATOM 0 HB3 ASP A 109 11.388 -10.200 1.597 1.00 0.73 H new ATOM 1765 N GLU A 110 8.914 -9.290 0.186 1.00 0.65 N ATOM 1766 CA GLU A 110 8.279 -9.319 -1.127 1.00 0.64 C ATOM 1767 C GLU A 110 7.340 -8.130 -1.300 1.00 0.59 C ATOM 1768 O GLU A 110 7.135 -7.656 -2.412 1.00 0.58 O ATOM 1769 CB GLU A 110 7.518 -10.631 -1.369 1.00 0.68 C ATOM 1770 CG GLU A 110 6.370 -10.885 -0.404 1.00 0.67 C ATOM 1771 CD GLU A 110 5.483 -12.021 -0.852 1.00 0.72 C ATOM 1772 OE1 GLU A 110 5.062 -12.031 -2.028 1.00 0.72 O ATOM 1773 OE2 GLU A 110 5.197 -12.910 -0.029 1.00 0.84 O ATOM 0 H GLU A 110 8.661 -10.062 0.803 1.00 0.65 H new ATOM 0 HA GLU A 110 9.076 -9.255 -1.868 1.00 0.64 H new ATOM 0 HB2 GLU A 110 7.126 -10.626 -2.386 1.00 0.68 H new ATOM 0 HB3 GLU A 110 8.221 -11.461 -1.303 1.00 0.68 H new ATOM 0 HG2 GLU A 110 6.772 -11.109 0.584 1.00 0.67 H new ATOM 0 HG3 GLU A 110 5.773 -9.978 -0.307 1.00 0.67 H new ATOM 1780 N ILE A 111 6.804 -7.624 -0.192 1.00 0.57 N ATOM 1781 CA ILE A 111 5.879 -6.497 -0.250 1.00 0.54 C ATOM 1782 C ILE A 111 6.650 -5.195 -0.390 1.00 0.48 C ATOM 1783 O ILE A 111 6.302 -4.350 -1.213 1.00 0.46 O ATOM 1784 CB ILE A 111 4.964 -6.445 0.991 1.00 0.58 C ATOM 1785 CG1 ILE A 111 4.274 -7.796 1.198 1.00 0.69 C ATOM 1786 CG2 ILE A 111 3.931 -5.343 0.829 1.00 0.56 C ATOM 1787 CD1 ILE A 111 3.235 -7.796 2.303 1.00 0.74 C ATOM 0 H ILE A 111 6.992 -7.973 0.748 1.00 0.57 H new ATOM 0 HA ILE A 111 5.242 -6.634 -1.124 1.00 0.54 H new ATOM 0 HB ILE A 111 5.572 -6.229 1.869 1.00 0.58 H new ATOM 0 HG12 ILE A 111 3.797 -8.095 0.265 1.00 0.69 H new ATOM 0 HG13 ILE A 111 5.030 -8.548 1.425 1.00 0.69 H new ATOM 0 HG21 ILE A 111 3.289 -5.313 1.710 1.00 0.56 H new ATOM 0 HG22 ILE A 111 4.437 -4.384 0.716 1.00 0.56 H new ATOM 0 HG23 ILE A 111 3.325 -5.540 -0.055 1.00 0.56 H new ATOM 0 HD11 ILE A 111 2.793 -8.789 2.386 1.00 0.74 H new ATOM 0 HD12 ILE A 111 3.709 -7.529 3.248 1.00 0.74 H new ATOM 0 HD13 ILE A 111 2.456 -7.070 2.070 1.00 0.74 H new ATOM 1799 N ARG A 112 7.712 -5.043 0.389 1.00 0.48 N ATOM 1800 CA ARG A 112 8.552 -3.858 0.267 1.00 0.46 C ATOM 1801 C ARG A 112 9.313 -3.909 -1.056 1.00 0.47 C ATOM 1802 O ARG A 112 9.529 -2.896 -1.718 1.00 0.47 O ATOM 1803 CB ARG A 112 9.505 -3.730 1.471 1.00 0.48 C ATOM 1804 CG ARG A 112 10.674 -4.710 1.497 1.00 0.51 C ATOM 1805 CD ARG A 112 11.815 -4.235 0.611 1.00 0.50 C ATOM 1806 NE ARG A 112 13.010 -5.060 0.742 1.00 0.56 N ATOM 1807 CZ ARG A 112 14.213 -4.658 0.361 1.00 0.62 C ATOM 1808 NH1 ARG A 112 14.363 -3.460 -0.184 1.00 0.64 N ATOM 1809 NH2 ARG A 112 15.263 -5.447 0.534 1.00 0.72 N ATOM 0 H ARG A 112 8.009 -5.711 1.100 1.00 0.48 H new ATOM 0 HA ARG A 112 7.922 -2.968 0.268 1.00 0.46 H new ATOM 0 HB2 ARG A 112 9.905 -2.716 1.488 1.00 0.48 H new ATOM 0 HB3 ARG A 112 8.925 -3.860 2.385 1.00 0.48 H new ATOM 0 HG2 ARG A 112 11.030 -4.827 2.520 1.00 0.51 H new ATOM 0 HG3 ARG A 112 10.336 -5.691 1.163 1.00 0.51 H new ATOM 0 HD2 ARG A 112 11.488 -4.239 -0.429 1.00 0.50 H new ATOM 0 HD3 ARG A 112 12.061 -3.204 0.864 1.00 0.50 H new ATOM 0 HE ARG A 112 12.915 -5.992 1.147 1.00 0.56 H new ATOM 0 HH11 ARG A 112 13.554 -2.851 -0.309 1.00 0.64 H new ATOM 0 HH12 ARG A 112 15.288 -3.146 -0.479 1.00 0.64 H new ATOM 0 HH21 ARG A 112 15.146 -6.366 0.961 1.00 0.72 H new ATOM 0 HH22 ARG A 112 16.189 -5.136 0.240 1.00 0.72 H new ATOM 1823 N ASP A 113 9.695 -5.109 -1.453 1.00 0.50 N ATOM 1824 CA ASP A 113 10.410 -5.289 -2.694 1.00 0.53 C ATOM 1825 C ASP A 113 9.507 -4.874 -3.840 1.00 0.54 C ATOM 1826 O ASP A 113 9.929 -4.178 -4.761 1.00 0.59 O ATOM 1827 CB ASP A 113 10.854 -6.747 -2.870 1.00 0.58 C ATOM 1828 CG ASP A 113 11.450 -7.045 -4.235 1.00 0.67 C ATOM 1829 OD1 ASP A 113 12.533 -6.512 -4.547 1.00 0.77 O ATOM 1830 OD2 ASP A 113 10.858 -7.848 -4.985 1.00 0.78 O ATOM 0 H ASP A 113 9.521 -5.969 -0.933 1.00 0.50 H new ATOM 0 HA ASP A 113 11.308 -4.671 -2.682 1.00 0.53 H new ATOM 0 HB2 ASP A 113 11.589 -6.989 -2.102 1.00 0.58 H new ATOM 0 HB3 ASP A 113 9.997 -7.400 -2.707 1.00 0.58 H new ATOM 1835 N ALA A 114 8.242 -5.288 -3.736 1.00 0.54 N ATOM 1836 CA ALA A 114 7.225 -4.955 -4.719 1.00 0.57 C ATOM 1837 C ALA A 114 7.031 -3.457 -4.830 1.00 0.52 C ATOM 1838 O ALA A 114 7.040 -2.911 -5.934 1.00 0.57 O ATOM 1839 CB ALA A 114 5.904 -5.630 -4.376 1.00 0.59 C ATOM 0 H ALA A 114 7.900 -5.863 -2.966 1.00 0.54 H new ATOM 0 HA ALA A 114 7.570 -5.324 -5.685 1.00 0.57 H new ATOM 0 HB1 ALA A 114 5.156 -5.368 -5.124 1.00 0.59 H new ATOM 0 HB2 ALA A 114 6.041 -6.711 -4.363 1.00 0.59 H new ATOM 0 HB3 ALA A 114 5.568 -5.295 -3.395 1.00 0.59 H new ATOM 1845 N VAL A 115 6.877 -2.784 -3.697 1.00 0.46 N ATOM 1846 CA VAL A 115 6.598 -1.367 -3.733 1.00 0.41 C ATOM 1847 C VAL A 115 7.738 -0.600 -4.410 1.00 0.45 C ATOM 1848 O VAL A 115 7.491 0.276 -5.236 1.00 0.47 O ATOM 1849 CB VAL A 115 6.297 -0.765 -2.350 1.00 0.34 C ATOM 1850 CG1 VAL A 115 5.056 -1.402 -1.759 1.00 0.36 C ATOM 1851 CG2 VAL A 115 7.466 -0.887 -1.392 1.00 0.37 C ATOM 0 H VAL A 115 6.940 -3.191 -2.764 1.00 0.46 H new ATOM 0 HA VAL A 115 5.689 -1.258 -4.324 1.00 0.41 H new ATOM 0 HB VAL A 115 6.121 0.301 -2.497 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.855 -0.967 -0.780 1.00 0.36 H new ATOM 0 HG12 VAL A 115 4.206 -1.223 -2.418 1.00 0.36 H new ATOM 0 HG13 VAL A 115 5.213 -2.475 -1.653 1.00 0.36 H new ATOM 0 HG21 VAL A 115 7.197 -0.446 -0.432 1.00 0.37 H new ATOM 0 HG22 VAL A 115 7.713 -1.939 -1.251 1.00 0.37 H new ATOM 0 HG23 VAL A 115 8.329 -0.364 -1.803 1.00 0.37 H new ATOM 1861 N LYS A 116 8.977 -0.959 -4.077 1.00 0.50 N ATOM 1862 CA LYS A 116 10.156 -0.393 -4.736 1.00 0.59 C ATOM 1863 C LYS A 116 10.118 -0.642 -6.243 1.00 0.69 C ATOM 1864 O LYS A 116 10.204 0.284 -7.034 1.00 0.85 O ATOM 1865 CB LYS A 116 11.425 -1.017 -4.155 1.00 0.76 C ATOM 1866 CG LYS A 116 12.662 -0.776 -5.006 1.00 1.16 C ATOM 1867 CD LYS A 116 13.594 -1.977 -4.979 1.00 0.92 C ATOM 1868 CE LYS A 116 12.858 -3.252 -5.365 1.00 0.80 C ATOM 1869 NZ LYS A 116 13.773 -4.416 -5.484 1.00 1.04 N ATOM 0 H LYS A 116 9.192 -1.643 -3.351 1.00 0.50 H new ATOM 0 HA LYS A 116 10.156 0.683 -4.560 1.00 0.59 H new ATOM 0 HB2 LYS A 116 11.595 -0.613 -3.157 1.00 0.76 H new ATOM 0 HB3 LYS A 116 11.274 -2.091 -4.043 1.00 0.76 H new ATOM 0 HG2 LYS A 116 12.364 -0.567 -6.034 1.00 1.16 H new ATOM 0 HG3 LYS A 116 13.190 0.105 -4.642 1.00 1.16 H new ATOM 0 HD2 LYS A 116 14.425 -1.812 -5.665 1.00 0.92 H new ATOM 0 HD3 LYS A 116 14.021 -2.088 -3.982 1.00 0.92 H new ATOM 0 HE2 LYS A 116 12.094 -3.468 -4.618 1.00 0.80 H new ATOM 0 HE3 LYS A 116 12.343 -3.099 -6.313 1.00 0.80 H new ATOM 0 HZ1 LYS A 116 13.741 -4.785 -6.456 1.00 1.04 H new ATOM 0 HZ2 LYS A 116 14.744 -4.119 -5.259 1.00 1.04 H new ATOM 0 HZ3 LYS A 116 13.476 -5.160 -4.821 1.00 1.04 H new ATOM 1883 N LYS A 117 10.003 -1.900 -6.646 1.00 0.71 N ATOM 1884 CA LYS A 117 10.043 -2.236 -8.066 1.00 0.81 C ATOM 1885 C LYS A 117 8.849 -1.669 -8.836 1.00 0.79 C ATOM 1886 O LYS A 117 8.858 -1.647 -10.067 1.00 0.90 O ATOM 1887 CB LYS A 117 10.166 -3.750 -8.267 1.00 0.89 C ATOM 1888 CG LYS A 117 9.110 -4.571 -7.552 1.00 0.85 C ATOM 1889 CD LYS A 117 9.459 -6.052 -7.620 1.00 1.09 C ATOM 1890 CE LYS A 117 8.429 -6.919 -6.918 1.00 1.08 C ATOM 1891 NZ LYS A 117 8.915 -8.307 -6.737 1.00 1.48 N ATOM 0 H LYS A 117 9.883 -2.697 -6.021 1.00 0.71 H new ATOM 0 HA LYS A 117 10.933 -1.762 -8.480 1.00 0.81 H new ATOM 0 HB2 LYS A 117 10.115 -3.967 -9.334 1.00 0.89 H new ATOM 0 HB3 LYS A 117 11.150 -4.070 -7.924 1.00 0.89 H new ATOM 0 HG2 LYS A 117 9.036 -4.255 -6.511 1.00 0.85 H new ATOM 0 HG3 LYS A 117 8.135 -4.399 -8.008 1.00 0.85 H new ATOM 0 HD2 LYS A 117 9.537 -6.357 -8.663 1.00 1.09 H new ATOM 0 HD3 LYS A 117 10.437 -6.214 -7.166 1.00 1.09 H new ATOM 0 HE2 LYS A 117 8.191 -6.487 -5.946 1.00 1.08 H new ATOM 0 HE3 LYS A 117 7.506 -6.929 -7.497 1.00 1.08 H new ATOM 0 HZ1 LYS A 117 8.106 -8.940 -6.578 1.00 1.48 H new ATOM 0 HZ2 LYS A 117 9.429 -8.609 -7.589 1.00 1.48 H new ATOM 0 HZ3 LYS A 117 9.553 -8.347 -5.916 1.00 1.48 H new ATOM 1905 N TYR A 118 7.827 -1.204 -8.126 1.00 0.69 N ATOM 1906 CA TYR A 118 6.729 -0.500 -8.779 1.00 0.68 C ATOM 1907 C TYR A 118 6.971 1.010 -8.807 1.00 0.69 C ATOM 1908 O TYR A 118 6.693 1.669 -9.811 1.00 0.77 O ATOM 1909 CB TYR A 118 5.388 -0.820 -8.109 1.00 0.64 C ATOM 1910 CG TYR A 118 4.743 -2.090 -8.623 1.00 0.88 C ATOM 1911 CD1 TYR A 118 4.121 -2.111 -9.863 1.00 1.48 C ATOM 1912 CD2 TYR A 118 4.755 -3.262 -7.876 1.00 1.04 C ATOM 1913 CE1 TYR A 118 3.527 -3.261 -10.344 1.00 1.86 C ATOM 1914 CE2 TYR A 118 4.163 -4.417 -8.351 1.00 1.43 C ATOM 1915 CZ TYR A 118 3.552 -4.411 -9.585 1.00 1.73 C ATOM 1916 OH TYR A 118 2.959 -5.557 -10.062 1.00 2.21 O ATOM 0 H TYR A 118 7.735 -1.299 -7.115 1.00 0.69 H new ATOM 0 HA TYR A 118 6.686 -0.852 -9.810 1.00 0.68 H new ATOM 0 HB2 TYR A 118 5.541 -0.909 -7.033 1.00 0.64 H new ATOM 0 HB3 TYR A 118 4.704 0.014 -8.266 1.00 0.64 H new ATOM 0 HD1 TYR A 118 4.101 -1.213 -10.462 1.00 1.48 H new ATOM 0 HD2 TYR A 118 5.235 -3.270 -6.908 1.00 1.04 H new ATOM 0 HE1 TYR A 118 3.045 -3.259 -11.311 1.00 1.86 H new ATOM 0 HE2 TYR A 118 4.180 -5.319 -7.758 1.00 1.43 H new ATOM 0 HH TYR A 118 3.066 -6.278 -9.407 1.00 2.21 H new ATOM 1926 N LEU A 119 7.477 1.550 -7.711 1.00 0.66 N ATOM 1927 CA LEU A 119 7.836 2.960 -7.634 1.00 0.69 C ATOM 1928 C LEU A 119 9.048 3.097 -6.719 1.00 0.72 C ATOM 1929 O LEU A 119 8.918 3.112 -5.504 1.00 0.79 O ATOM 1930 CB LEU A 119 6.650 3.792 -7.115 1.00 0.71 C ATOM 1931 CG LEU A 119 6.678 5.295 -7.447 1.00 1.34 C ATOM 1932 CD1 LEU A 119 7.768 6.022 -6.669 1.00 2.00 C ATOM 1933 CD2 LEU A 119 6.871 5.502 -8.942 1.00 2.09 C ATOM 0 H LEU A 119 7.651 1.028 -6.852 1.00 0.66 H new ATOM 0 HA LEU A 119 8.085 3.338 -8.626 1.00 0.69 H new ATOM 0 HB2 LEU A 119 5.731 3.369 -7.520 1.00 0.71 H new ATOM 0 HB3 LEU A 119 6.602 3.681 -6.032 1.00 0.71 H new ATOM 0 HG LEU A 119 5.719 5.718 -7.149 1.00 1.34 H new ATOM 0 HD11 LEU A 119 7.757 7.080 -6.930 1.00 2.00 H new ATOM 0 HD12 LEU A 119 7.588 5.910 -5.600 1.00 2.00 H new ATOM 0 HD13 LEU A 119 8.740 5.597 -6.920 1.00 2.00 H new ATOM 0 HD21 LEU A 119 6.889 6.569 -9.162 1.00 2.09 H new ATOM 0 HD22 LEU A 119 7.814 5.052 -9.253 1.00 2.09 H new ATOM 0 HD23 LEU A 119 6.049 5.034 -9.483 1.00 2.09 H new ATOM 1945 N PRO A 120 10.250 3.142 -7.303 1.00 0.72 N ATOM 1946 CA PRO A 120 11.493 3.088 -6.552 1.00 0.75 C ATOM 1947 C PRO A 120 12.110 4.463 -6.257 1.00 0.77 C ATOM 1948 O PRO A 120 12.385 5.253 -7.169 1.00 0.92 O ATOM 1949 CB PRO A 120 12.376 2.299 -7.513 1.00 0.79 C ATOM 1950 CG PRO A 120 11.930 2.719 -8.883 1.00 0.78 C ATOM 1951 CD PRO A 120 10.503 3.207 -8.752 1.00 0.75 C ATOM 0 HA PRO A 120 11.363 2.656 -5.560 1.00 0.75 H new ATOM 0 HB2 PRO A 120 13.431 2.524 -7.355 1.00 0.79 H new ATOM 0 HB3 PRO A 120 12.254 1.225 -7.370 1.00 0.79 H new ATOM 0 HG2 PRO A 120 12.573 3.508 -9.273 1.00 0.78 H new ATOM 0 HG3 PRO A 120 11.990 1.884 -9.581 1.00 0.78 H new ATOM 0 HD2 PRO A 120 10.389 4.221 -9.134 1.00 0.75 H new ATOM 0 HD3 PRO A 120 9.810 2.576 -9.309 1.00 0.75 H new ATOM 1959 N LEU A 121 12.334 4.737 -4.982 1.00 0.70 N ATOM 1960 CA LEU A 121 12.988 5.961 -4.551 1.00 0.69 C ATOM 1961 C LEU A 121 14.409 5.666 -4.116 1.00 0.82 C ATOM 1962 O LEU A 121 15.375 6.097 -4.747 1.00 1.00 O ATOM 1963 CB LEU A 121 12.193 6.553 -3.397 1.00 0.55 C ATOM 1964 CG LEU A 121 12.911 7.537 -2.485 1.00 0.58 C ATOM 1965 CD1 LEU A 121 13.328 8.773 -3.257 1.00 1.23 C ATOM 1966 CD2 LEU A 121 12.005 7.888 -1.311 1.00 1.25 C ATOM 0 H LEU A 121 12.067 4.117 -4.217 1.00 0.70 H new ATOM 0 HA LEU A 121 13.026 6.674 -5.375 1.00 0.69 H new ATOM 0 HB2 LEU A 121 11.319 7.055 -3.812 1.00 0.55 H new ATOM 0 HB3 LEU A 121 11.827 5.730 -2.783 1.00 0.55 H new ATOM 0 HG LEU A 121 13.820 7.078 -2.096 1.00 0.58 H new ATOM 0 HD11 LEU A 121 13.840 9.465 -2.588 1.00 1.23 H new ATOM 0 HD12 LEU A 121 14.000 8.487 -4.066 1.00 1.23 H new ATOM 0 HD13 LEU A 121 12.445 9.257 -3.673 1.00 1.23 H new ATOM 0 HD21 LEU A 121 12.516 8.593 -0.655 1.00 1.25 H new ATOM 0 HD22 LEU A 121 11.086 8.340 -1.683 1.00 1.25 H new ATOM 0 HD23 LEU A 121 11.765 6.983 -0.754 1.00 1.25 H new