USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 554 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 ASN : amide:sc= -2.79 K(o=-6.5,f=-8.4!) USER MOD Set 1.2: A 59 ASN :FLIP amide:sc= -3.67! C(o=-14!,f=-6.5!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 15 MET CE :methyl -148:sc= -0.097 (180deg=-2.08) USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= -0.175 (180deg=-1.03) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.0336 F(o=-1.5!,f=-0.034) USER MOD Single : A 31 TYR OH : rot -49:sc= -2.07 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 35 MET CE :methyl 169:sc= 0 (180deg=-0.00663) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0108 K(o=-0.011,f=-1.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.075) USER MOD Single : A 49 GLN : amide:sc= -5.16! C(o=-5.2!,f=-5.9!) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 51 SER OG : rot 120:sc= 1.33 USER MOD Single : A 54 HIS : no HD1:sc=-0.00829 X(o=-0.0083,f=-0.18) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N PRO A 5 -12.019 13.868 1.806 1.00 0.59 N ATOM 78 CA PRO A 5 -10.941 14.334 2.724 1.00 0.58 C ATOM 79 C PRO A 5 -9.651 14.708 1.964 1.00 0.56 C ATOM 80 O PRO A 5 -9.238 13.993 1.073 1.00 0.67 O ATOM 81 CB PRO A 5 -10.711 13.112 3.608 1.00 0.62 C ATOM 82 CG PRO A 5 -10.928 11.966 2.683 1.00 0.73 C ATOM 83 CD PRO A 5 -12.077 12.392 1.763 1.00 0.58 C ATOM 0 HA PRO A 5 -11.214 15.236 3.272 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -9.705 13.104 4.027 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -11.406 13.087 4.447 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -10.027 11.749 2.110 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -11.182 11.060 3.234 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -11.942 12.014 0.750 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -13.037 12.017 2.118 1.00 0.58 H new ATOM 91 N PRO A 6 -9.013 15.808 2.298 1.00 0.55 N ATOM 92 CA PRO A 6 -7.757 16.246 1.619 1.00 0.57 C ATOM 93 C PRO A 6 -6.794 15.094 1.294 1.00 0.51 C ATOM 94 O PRO A 6 -5.895 15.243 0.491 1.00 0.70 O ATOM 95 CB PRO A 6 -7.126 17.194 2.642 1.00 0.67 C ATOM 96 CG PRO A 6 -8.285 17.817 3.349 1.00 0.84 C ATOM 97 CD PRO A 6 -9.406 16.767 3.352 1.00 0.68 C ATOM 0 HA PRO A 6 -7.968 16.697 0.649 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -6.482 16.655 3.337 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -6.508 17.948 2.154 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -8.014 18.098 4.366 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -8.606 18.727 2.842 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.490 16.278 4.323 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.374 17.219 3.137 1.00 0.68 H new ATOM 105 N TYR A 7 -6.950 13.958 1.919 1.00 0.42 N ATOM 106 CA TYR A 7 -6.014 12.829 1.641 1.00 0.36 C ATOM 107 C TYR A 7 -6.215 12.316 0.212 1.00 0.34 C ATOM 108 O TYR A 7 -7.316 12.014 -0.203 1.00 0.36 O ATOM 109 CB TYR A 7 -6.271 11.685 2.629 1.00 0.34 C ATOM 110 CG TYR A 7 -6.495 12.249 4.015 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.594 13.173 4.561 1.00 1.10 C ATOM 112 CD2 TYR A 7 -7.621 11.858 4.752 1.00 1.12 C ATOM 113 CE1 TYR A 7 -5.818 13.701 5.837 1.00 1.11 C ATOM 114 CE2 TYR A 7 -7.847 12.390 6.025 1.00 1.15 C ATOM 115 CZ TYR A 7 -6.946 13.312 6.569 1.00 0.47 C ATOM 116 OH TYR A 7 -7.171 13.839 7.825 1.00 0.54 O ATOM 0 H TYR A 7 -7.679 13.763 2.605 1.00 0.42 H new ATOM 0 HA TYR A 7 -4.991 13.188 1.754 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.142 11.109 2.315 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.422 11.001 2.637 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.726 13.478 3.996 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -8.316 11.144 4.336 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -5.120 14.410 6.258 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -8.718 12.089 6.589 1.00 1.15 H new ATOM 0 HH TYR A 7 -7.998 13.464 8.194 1.00 0.54 H new ATOM 126 N SER A 8 -5.150 12.203 -0.535 1.00 0.35 N ATOM 127 CA SER A 8 -5.265 11.696 -1.932 1.00 0.38 C ATOM 128 C SER A 8 -5.316 10.167 -1.906 1.00 0.32 C ATOM 129 O SER A 8 -5.221 9.553 -0.863 1.00 0.30 O ATOM 130 CB SER A 8 -4.055 12.156 -2.748 1.00 0.46 C ATOM 131 OG SER A 8 -2.867 11.646 -2.156 1.00 1.39 O ATOM 0 H SER A 8 -4.204 12.440 -0.237 1.00 0.35 H new ATOM 0 HA SER A 8 -6.174 12.086 -2.390 1.00 0.38 H new ATOM 0 HB2 SER A 8 -4.141 11.806 -3.777 1.00 0.46 H new ATOM 0 HB3 SER A 8 -4.019 13.245 -2.784 1.00 0.46 H new ATOM 0 HG SER A 8 -2.090 11.938 -2.678 1.00 1.39 H new ATOM 137 N TYR A 9 -5.474 9.547 -3.043 1.00 0.34 N ATOM 138 CA TYR A 9 -5.539 8.057 -3.073 1.00 0.34 C ATOM 139 C TYR A 9 -4.240 7.476 -2.510 1.00 0.35 C ATOM 140 O TYR A 9 -4.252 6.517 -1.763 1.00 0.36 O ATOM 141 CB TYR A 9 -5.719 7.592 -4.518 1.00 0.39 C ATOM 142 CG TYR A 9 -7.023 8.128 -5.058 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.200 7.387 -4.902 1.00 1.21 C ATOM 144 CD2 TYR A 9 -7.055 9.364 -5.713 1.00 1.32 C ATOM 145 CE1 TYR A 9 -9.410 7.882 -5.401 1.00 1.23 C ATOM 146 CE2 TYR A 9 -8.266 9.860 -6.213 1.00 1.32 C ATOM 147 CZ TYR A 9 -9.443 9.118 -6.057 1.00 0.44 C ATOM 148 OH TYR A 9 -10.636 9.607 -6.550 1.00 0.50 O ATOM 0 H TYR A 9 -5.561 10.005 -3.950 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.379 7.715 -2.469 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -4.888 7.942 -5.130 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -5.713 6.503 -4.565 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.174 6.433 -4.396 1.00 1.21 H new ATOM 0 HD2 TYR A 9 -6.146 9.935 -5.833 1.00 1.32 H new ATOM 0 HE1 TYR A 9 -10.318 7.310 -5.280 1.00 1.23 H new ATOM 0 HE2 TYR A 9 -8.292 10.814 -6.718 1.00 1.32 H new ATOM 0 HH TYR A 9 -10.482 10.477 -6.975 1.00 0.50 H new ATOM 158 N ILE A 10 -3.120 8.047 -2.857 1.00 0.38 N ATOM 159 CA ILE A 10 -1.826 7.527 -2.332 1.00 0.42 C ATOM 160 C ILE A 10 -1.808 7.629 -0.804 1.00 0.38 C ATOM 161 O ILE A 10 -1.444 6.697 -0.115 1.00 0.39 O ATOM 162 CB ILE A 10 -0.670 8.353 -2.908 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.663 8.256 -4.443 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.662 7.848 -2.344 1.00 0.51 C ATOM 165 CD1 ILE A 10 -0.580 6.794 -4.906 1.00 0.96 C ATOM 0 H ILE A 10 -3.045 8.850 -3.481 1.00 0.38 H new ATOM 0 HA ILE A 10 -1.714 6.484 -2.627 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.804 9.397 -2.623 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -1.566 8.716 -4.843 1.00 0.61 H new ATOM 0 HG13 ILE A 10 0.183 8.815 -4.842 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.479 8.439 -2.757 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.657 7.944 -1.258 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.798 6.801 -2.615 1.00 0.51 H new ATOM 0 HD11 ILE A 10 -0.577 6.757 -5.995 1.00 0.96 H new ATOM 0 HD12 ILE A 10 0.336 6.343 -4.525 1.00 0.96 H new ATOM 0 HD13 ILE A 10 -1.441 6.243 -4.527 1.00 0.96 H new ATOM 177 N ALA A 11 -2.183 8.760 -0.270 1.00 0.36 N ATOM 178 CA ALA A 11 -2.172 8.928 1.212 1.00 0.36 C ATOM 179 C ALA A 11 -3.219 8.017 1.858 1.00 0.32 C ATOM 180 O ALA A 11 -2.969 7.402 2.874 1.00 0.32 O ATOM 181 CB ALA A 11 -2.479 10.387 1.558 1.00 0.38 C ATOM 0 H ALA A 11 -2.497 9.575 -0.796 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.188 8.657 1.593 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.472 10.513 2.641 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -1.723 11.033 1.112 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.461 10.655 1.168 1.00 0.38 H new ATOM 187 N LEU A 12 -4.388 7.917 1.286 1.00 0.32 N ATOM 188 CA LEU A 12 -5.429 7.040 1.895 1.00 0.31 C ATOM 189 C LEU A 12 -4.905 5.608 1.948 1.00 0.30 C ATOM 190 O LEU A 12 -5.009 4.937 2.956 1.00 0.32 O ATOM 191 CB LEU A 12 -6.702 7.088 1.047 1.00 0.33 C ATOM 192 CG LEU A 12 -7.373 8.463 1.178 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.490 8.570 0.137 1.00 0.37 C ATOM 194 CD2 LEU A 12 -7.966 8.640 2.588 1.00 0.36 C ATOM 0 H LEU A 12 -4.666 8.399 0.431 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.657 7.387 2.903 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.460 6.891 0.003 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.391 6.307 1.367 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.629 9.243 1.013 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -8.974 9.543 0.221 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.068 8.460 -0.862 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.225 7.784 0.310 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.438 9.620 2.664 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.710 7.864 2.770 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -7.171 8.562 3.330 1.00 0.36 H new ATOM 206 N ILE A 13 -4.323 5.139 0.882 1.00 0.31 N ATOM 207 CA ILE A 13 -3.776 3.756 0.896 1.00 0.32 C ATOM 208 C ILE A 13 -2.680 3.689 1.959 1.00 0.29 C ATOM 209 O ILE A 13 -2.562 2.729 2.694 1.00 0.30 O ATOM 210 CB ILE A 13 -3.194 3.431 -0.482 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.338 3.302 -1.492 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.414 2.114 -0.417 1.00 0.40 C ATOM 213 CD1 ILE A 13 -3.774 3.297 -2.916 1.00 0.49 C ATOM 0 H ILE A 13 -4.203 5.649 0.007 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.559 3.033 1.126 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.519 4.229 -0.791 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -4.896 2.384 -1.309 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -5.037 4.129 -1.371 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.002 1.887 -1.400 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.602 2.207 0.304 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.083 1.310 -0.109 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.592 3.205 -3.631 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.236 4.228 -3.098 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.092 2.455 -3.034 1.00 0.49 H new ATOM 225 N THR A 14 -1.885 4.721 2.048 1.00 0.29 N ATOM 226 CA THR A 14 -0.796 4.752 3.063 1.00 0.31 C ATOM 227 C THR A 14 -1.402 4.698 4.468 1.00 0.32 C ATOM 228 O THR A 14 -0.890 4.036 5.349 1.00 0.34 O ATOM 229 CB THR A 14 0.005 6.046 2.897 1.00 0.35 C ATOM 230 OG1 THR A 14 0.564 6.090 1.592 1.00 0.37 O ATOM 231 CG2 THR A 14 1.124 6.099 3.939 1.00 0.39 C ATOM 0 H THR A 14 -1.945 5.549 1.456 1.00 0.29 H new ATOM 0 HA THR A 14 -0.139 3.893 2.924 1.00 0.31 H new ATOM 0 HB THR A 14 -0.655 6.902 3.039 1.00 0.35 H new ATOM 0 HG1 THR A 14 -0.119 6.384 0.953 1.00 0.37 H new ATOM 0 HG21 THR A 14 1.691 7.022 3.817 1.00 0.39 H new ATOM 0 HG22 THR A 14 0.692 6.068 4.939 1.00 0.39 H new ATOM 0 HG23 THR A 14 1.787 5.245 3.804 1.00 0.39 H new ATOM 239 N MET A 15 -2.489 5.389 4.682 1.00 0.33 N ATOM 240 CA MET A 15 -3.132 5.378 6.028 1.00 0.37 C ATOM 241 C MET A 15 -3.662 3.978 6.336 1.00 0.34 C ATOM 242 O MET A 15 -3.576 3.502 7.449 1.00 0.36 O ATOM 243 CB MET A 15 -4.296 6.373 6.060 1.00 0.44 C ATOM 244 CG MET A 15 -3.761 7.806 6.026 1.00 0.49 C ATOM 245 SD MET A 15 -5.153 8.963 6.066 1.00 0.67 S ATOM 246 CE MET A 15 -4.186 10.489 6.169 1.00 1.14 C ATOM 0 H MET A 15 -2.960 5.962 3.982 1.00 0.33 H new ATOM 0 HA MET A 15 -2.390 5.662 6.774 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.955 6.202 5.209 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.892 6.220 6.960 1.00 0.44 H new ATOM 0 HG2 MET A 15 -3.103 7.981 6.877 1.00 0.49 H new ATOM 0 HG3 MET A 15 -3.167 7.964 5.126 1.00 0.49 H new ATOM 0 HE1 MET A 15 -4.738 11.231 6.746 1.00 1.14 H new ATOM 0 HE2 MET A 15 -3.233 10.284 6.658 1.00 1.14 H new ATOM 0 HE3 MET A 15 -4.004 10.873 5.165 1.00 1.14 H new ATOM 256 N ALA A 16 -4.224 3.324 5.360 1.00 0.32 N ATOM 257 CA ALA A 16 -4.777 1.961 5.594 1.00 0.31 C ATOM 258 C ALA A 16 -3.664 1.023 6.064 1.00 0.29 C ATOM 259 O ALA A 16 -3.826 0.278 7.011 1.00 0.31 O ATOM 260 CB ALA A 16 -5.369 1.440 4.281 1.00 0.31 C ATOM 0 H ALA A 16 -4.325 3.675 4.408 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.550 2.003 6.361 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.778 0.442 4.437 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.162 2.109 3.949 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.588 1.397 3.521 1.00 0.31 H new ATOM 266 N ILE A 17 -2.536 1.049 5.412 1.00 0.27 N ATOM 267 CA ILE A 17 -1.420 0.155 5.826 1.00 0.28 C ATOM 268 C ILE A 17 -1.040 0.488 7.268 1.00 0.30 C ATOM 269 O ILE A 17 -0.932 -0.372 8.118 1.00 0.33 O ATOM 270 CB ILE A 17 -0.208 0.414 4.929 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.601 0.154 3.473 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.941 -0.522 5.335 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.514 0.644 2.545 1.00 0.32 C ATOM 0 H ILE A 17 -2.339 1.650 4.612 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.727 -0.887 5.742 1.00 0.28 H new ATOM 0 HB ILE A 17 0.120 1.448 5.039 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -0.776 -0.911 3.317 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.534 0.668 3.240 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.804 -0.337 4.696 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.212 -0.335 6.374 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.623 -1.558 5.224 1.00 0.33 H new ATOM 0 HD11 ILE A 17 0.233 0.458 1.508 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.667 1.713 2.693 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.437 0.110 2.772 1.00 0.32 H new ATOM 285 N GLN A 18 -0.837 1.746 7.531 1.00 0.32 N ATOM 286 CA GLN A 18 -0.457 2.188 8.903 1.00 0.36 C ATOM 287 C GLN A 18 -1.602 1.912 9.883 1.00 0.36 C ATOM 288 O GLN A 18 -1.384 1.516 11.010 1.00 0.38 O ATOM 289 CB GLN A 18 -0.161 3.689 8.878 1.00 0.44 C ATOM 290 CG GLN A 18 1.140 3.934 8.111 1.00 0.51 C ATOM 291 CD GLN A 18 1.449 5.433 8.077 1.00 1.09 C ATOM 292 OE1 GLN A 18 0.540 6.286 8.460 1.00 1.76 O flip ATOM 293 NE2 GLN A 18 2.531 5.831 7.695 1.00 1.82 N flip ATOM 0 H GLN A 18 -0.919 2.498 6.847 1.00 0.32 H new ATOM 0 HA GLN A 18 0.426 1.637 9.227 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -0.983 4.226 8.404 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -0.075 4.072 9.895 1.00 0.44 H new ATOM 0 HG2 GLN A 18 1.960 3.395 8.586 1.00 0.51 H new ATOM 0 HG3 GLN A 18 1.052 3.549 7.095 1.00 0.51 H new ATOM 0 HE21 GLN A 18 3.243 5.165 7.395 1.00 1.82 H new ATOM 0 HE22 GLN A 18 2.728 6.832 7.674 1.00 1.82 H new ATOM 302 N ASN A 19 -2.818 2.140 9.468 1.00 0.37 N ATOM 303 CA ASN A 19 -3.980 1.916 10.377 1.00 0.42 C ATOM 304 C ASN A 19 -4.386 0.441 10.372 1.00 0.43 C ATOM 305 O ASN A 19 -5.319 0.046 11.042 1.00 0.58 O ATOM 306 CB ASN A 19 -5.154 2.773 9.905 1.00 0.51 C ATOM 307 CG ASN A 19 -4.747 4.246 9.960 1.00 0.84 C ATOM 308 OD1 ASN A 19 -5.165 5.037 9.139 1.00 1.67 O ATOM 309 ND2 ASN A 19 -3.932 4.646 10.899 1.00 1.28 N ATOM 0 H ASN A 19 -3.059 2.473 8.534 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.699 2.195 11.393 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -5.437 2.498 8.889 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -6.025 2.599 10.536 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -3.646 5.624 10.943 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -3.582 3.980 11.588 1.00 1.28 H new ATOM 316 N ALA A 20 -3.697 -0.381 9.631 1.00 0.39 N ATOM 317 CA ALA A 20 -4.062 -1.825 9.604 1.00 0.47 C ATOM 318 C ALA A 20 -3.526 -2.493 10.876 1.00 0.53 C ATOM 319 O ALA A 20 -2.496 -2.100 11.387 1.00 0.63 O ATOM 320 CB ALA A 20 -3.420 -2.490 8.382 1.00 0.49 C ATOM 0 H ALA A 20 -2.903 -0.119 9.047 1.00 0.39 H new ATOM 0 HA ALA A 20 -5.145 -1.932 9.550 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.686 -3.547 8.361 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -3.780 -2.007 7.474 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.336 -2.390 8.441 1.00 0.49 H new ATOM 326 N PRO A 21 -4.193 -3.500 11.386 1.00 0.71 N ATOM 327 CA PRO A 21 -3.725 -4.206 12.613 1.00 0.87 C ATOM 328 C PRO A 21 -2.370 -4.862 12.347 1.00 0.80 C ATOM 329 O PRO A 21 -1.586 -5.108 13.243 1.00 1.04 O ATOM 330 CB PRO A 21 -4.816 -5.254 12.888 1.00 1.10 C ATOM 331 CG PRO A 21 -5.524 -5.433 11.582 1.00 1.29 C ATOM 332 CD PRO A 21 -5.441 -4.084 10.866 1.00 0.94 C ATOM 0 HA PRO A 21 -3.582 -3.542 13.466 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -4.383 -6.193 13.233 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -5.501 -4.915 13.665 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -5.055 -6.218 10.989 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -6.562 -5.728 11.738 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -5.408 -4.205 9.783 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -6.303 -3.456 11.090 1.00 0.94 H new ATOM 340 N GLU A 22 -2.097 -5.122 11.097 1.00 0.72 N ATOM 341 CA GLU A 22 -0.801 -5.739 10.698 1.00 0.83 C ATOM 342 C GLU A 22 -0.313 -5.034 9.433 1.00 0.80 C ATOM 343 O GLU A 22 -1.102 -4.587 8.623 1.00 1.16 O ATOM 344 CB GLU A 22 -1.010 -7.224 10.402 1.00 0.98 C ATOM 345 CG GLU A 22 -1.301 -7.976 11.703 1.00 1.51 C ATOM 346 CD GLU A 22 -1.511 -9.460 11.398 1.00 2.01 C ATOM 347 OE1 GLU A 22 -2.632 -9.827 11.086 1.00 2.63 O ATOM 348 OE2 GLU A 22 -0.548 -10.203 11.480 1.00 2.51 O ATOM 0 H GLU A 22 -2.731 -4.929 10.321 1.00 0.72 H new ATOM 0 HA GLU A 22 -0.070 -5.637 11.500 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -1.838 -7.352 9.704 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -0.122 -7.637 9.923 1.00 0.98 H new ATOM 0 HG2 GLU A 22 -0.473 -7.851 12.401 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -2.188 -7.563 12.183 1.00 1.51 H new ATOM 355 N LYS A 23 0.970 -4.929 9.247 1.00 0.66 N ATOM 356 CA LYS A 23 1.477 -4.251 8.023 1.00 0.68 C ATOM 357 C LYS A 23 0.994 -5.037 6.805 1.00 0.56 C ATOM 358 O LYS A 23 0.652 -4.473 5.784 1.00 0.59 O ATOM 359 CB LYS A 23 3.008 -4.205 8.046 1.00 0.84 C ATOM 360 CG LYS A 23 3.495 -3.353 9.227 1.00 0.96 C ATOM 361 CD LYS A 23 3.388 -1.859 8.896 1.00 0.79 C ATOM 362 CE LYS A 23 4.078 -1.046 9.993 1.00 1.23 C ATOM 363 NZ LYS A 23 5.517 -1.423 10.064 1.00 2.02 N ATOM 0 H LYS A 23 1.686 -5.280 9.883 1.00 0.66 H new ATOM 0 HA LYS A 23 1.104 -3.228 7.979 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.408 -5.216 8.128 1.00 0.84 H new ATOM 0 HB3 LYS A 23 3.381 -3.789 7.110 1.00 0.84 H new ATOM 0 HG2 LYS A 23 2.902 -3.578 10.113 1.00 0.96 H new ATOM 0 HG3 LYS A 23 4.529 -3.606 9.463 1.00 0.96 H new ATOM 0 HD2 LYS A 23 3.851 -1.655 7.931 1.00 0.79 H new ATOM 0 HD3 LYS A 23 2.341 -1.567 8.815 1.00 0.79 H new ATOM 0 HE2 LYS A 23 3.981 0.020 9.786 1.00 1.23 H new ATOM 0 HE3 LYS A 23 3.596 -1.229 10.953 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 6.061 -0.641 10.481 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 5.625 -2.273 10.654 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 5.872 -1.619 9.106 1.00 2.02 H new ATOM 377 N LYS A 24 0.951 -6.338 6.908 1.00 0.49 N ATOM 378 CA LYS A 24 0.474 -7.157 5.761 1.00 0.43 C ATOM 379 C LYS A 24 -1.053 -7.209 5.808 1.00 0.44 C ATOM 380 O LYS A 24 -1.638 -7.681 6.763 1.00 0.75 O ATOM 381 CB LYS A 24 1.038 -8.575 5.874 1.00 0.41 C ATOM 382 CG LYS A 24 2.558 -8.530 5.716 1.00 0.45 C ATOM 383 CD LYS A 24 3.127 -9.945 5.828 1.00 0.50 C ATOM 384 CE LYS A 24 4.649 -9.895 5.670 1.00 0.59 C ATOM 385 NZ LYS A 24 5.173 -11.277 5.478 1.00 1.55 N ATOM 0 H LYS A 24 1.225 -6.867 7.736 1.00 0.49 H new ATOM 0 HA LYS A 24 0.807 -6.717 4.821 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.774 -9.008 6.839 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.600 -9.215 5.108 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.821 -8.097 4.751 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.995 -7.890 6.482 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.865 -10.379 6.793 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.692 -10.586 5.061 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.917 -9.271 4.817 1.00 0.59 H new ATOM 0 HE3 LYS A 24 5.102 -9.442 6.551 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 6.207 -11.244 5.371 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.929 -11.859 6.305 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.749 -11.693 4.624 1.00 1.55 H new ATOM 399 N ILE A 25 -1.703 -6.723 4.785 1.00 0.35 N ATOM 400 CA ILE A 25 -3.196 -6.730 4.758 1.00 0.34 C ATOM 401 C ILE A 25 -3.667 -7.131 3.363 1.00 0.31 C ATOM 402 O ILE A 25 -2.982 -6.924 2.380 1.00 0.33 O ATOM 403 CB ILE A 25 -3.721 -5.332 5.089 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.251 -5.332 5.018 1.00 0.39 C ATOM 405 CG2 ILE A 25 -3.167 -4.322 4.082 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.790 -4.024 5.601 1.00 0.47 C ATOM 0 H ILE A 25 -1.261 -6.318 3.960 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.573 -7.440 5.494 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.401 -5.055 6.093 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.577 -5.443 3.984 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.651 -6.181 5.572 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.543 -3.327 4.320 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -2.078 -4.320 4.130 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.485 -4.599 3.077 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.879 -4.024 5.550 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.475 -3.932 6.640 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.400 -3.182 5.028 1.00 0.47 H new ATOM 418 N THR A 26 -4.830 -7.710 3.266 1.00 0.30 N ATOM 419 CA THR A 26 -5.340 -8.127 1.933 1.00 0.31 C ATOM 420 C THR A 26 -5.924 -6.912 1.215 1.00 0.28 C ATOM 421 O THR A 26 -6.361 -5.960 1.830 1.00 0.27 O ATOM 422 CB THR A 26 -6.425 -9.190 2.114 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.527 -8.623 2.809 1.00 0.76 O ATOM 424 CG2 THR A 26 -5.866 -10.365 2.920 1.00 0.81 C ATOM 0 H THR A 26 -5.448 -7.912 4.052 1.00 0.30 H new ATOM 0 HA THR A 26 -4.525 -8.542 1.340 1.00 0.31 H new ATOM 0 HB THR A 26 -6.751 -9.545 1.136 1.00 0.37 H new ATOM 0 HG1 THR A 26 -8.225 -9.301 2.925 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.641 -11.121 3.047 1.00 0.81 H new ATOM 0 HG22 THR A 26 -5.019 -10.800 2.389 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.539 -10.012 3.898 1.00 0.81 H new ATOM 432 N LEU A 27 -5.931 -6.941 -0.086 1.00 0.31 N ATOM 433 CA LEU A 27 -6.483 -5.796 -0.858 1.00 0.34 C ATOM 434 C LEU A 27 -7.953 -5.605 -0.478 1.00 0.30 C ATOM 435 O LEU A 27 -8.429 -4.497 -0.311 1.00 0.31 O ATOM 436 CB LEU A 27 -6.330 -6.113 -2.350 1.00 0.44 C ATOM 437 CG LEU A 27 -6.876 -4.979 -3.229 1.00 0.47 C ATOM 438 CD1 LEU A 27 -6.277 -3.632 -2.810 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.514 -5.270 -4.691 1.00 0.68 C ATOM 0 H LEU A 27 -5.576 -7.713 -0.651 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.951 -4.871 -0.634 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.278 -6.278 -2.581 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -6.857 -7.039 -2.581 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.958 -4.925 -3.111 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.677 -2.842 -3.446 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -6.534 -3.427 -1.771 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -5.193 -3.668 -2.915 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -6.896 -4.471 -5.326 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.430 -5.327 -4.793 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -6.958 -6.218 -4.994 1.00 0.68 H new ATOM 451 N ASN A 28 -8.667 -6.684 -0.320 1.00 0.30 N ATOM 452 CA ASN A 28 -10.104 -6.595 0.072 1.00 0.31 C ATOM 453 C ASN A 28 -10.233 -5.888 1.426 1.00 0.29 C ATOM 454 O ASN A 28 -11.129 -5.095 1.646 1.00 0.32 O ATOM 455 CB ASN A 28 -10.670 -8.010 0.195 1.00 0.36 C ATOM 456 CG ASN A 28 -10.782 -8.653 -1.191 1.00 0.43 C ATOM 457 OD1 ASN A 28 -10.760 -7.902 -2.258 1.00 1.07 O flip ATOM 458 ND2 ASN A 28 -10.893 -9.858 -1.303 1.00 1.25 N flip ATOM 0 H ASN A 28 -8.315 -7.633 -0.446 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.652 -6.031 -0.683 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.026 -8.614 0.834 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.650 -7.978 0.670 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -10.911 -10.448 -0.471 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -10.969 -10.279 -2.229 1.00 1.25 H new ATOM 465 N GLY A 29 -9.346 -6.179 2.338 1.00 0.28 N ATOM 466 CA GLY A 29 -9.410 -5.545 3.687 1.00 0.29 C ATOM 467 C GLY A 29 -9.226 -4.029 3.580 1.00 0.28 C ATOM 468 O GLY A 29 -9.855 -3.270 4.289 1.00 0.29 O ATOM 0 H GLY A 29 -8.574 -6.833 2.206 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.369 -5.768 4.154 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.637 -5.966 4.330 1.00 0.29 H new ATOM 472 N ILE A 30 -8.356 -3.581 2.718 1.00 0.26 N ATOM 473 CA ILE A 30 -8.122 -2.115 2.593 1.00 0.27 C ATOM 474 C ILE A 30 -9.421 -1.409 2.196 1.00 0.27 C ATOM 475 O ILE A 30 -9.726 -0.338 2.682 1.00 0.29 O ATOM 476 CB ILE A 30 -7.045 -1.864 1.530 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.700 -2.385 2.048 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.934 -0.364 1.238 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.663 -2.355 0.923 1.00 0.35 C ATOM 0 H ILE A 30 -7.798 -4.165 2.096 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.787 -1.719 3.551 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.316 -2.384 0.611 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.361 -1.773 2.884 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.814 -3.402 2.423 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.167 -0.196 0.482 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.891 0.007 0.872 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.665 0.166 2.152 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.709 -2.726 1.297 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -5.000 -2.986 0.100 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.540 -1.332 0.569 1.00 0.35 H new ATOM 491 N TYR A 31 -10.186 -1.985 1.312 1.00 0.28 N ATOM 492 CA TYR A 31 -11.454 -1.322 0.893 1.00 0.30 C ATOM 493 C TYR A 31 -12.375 -1.130 2.099 1.00 0.30 C ATOM 494 O TYR A 31 -13.015 -0.109 2.248 1.00 0.32 O ATOM 495 CB TYR A 31 -12.168 -2.202 -0.139 1.00 0.36 C ATOM 496 CG TYR A 31 -11.540 -2.008 -1.500 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.611 -0.760 -2.128 1.00 1.20 C ATOM 498 CD2 TYR A 31 -10.885 -3.070 -2.133 1.00 1.36 C ATOM 499 CE1 TYR A 31 -11.030 -0.577 -3.385 1.00 1.23 C ATOM 500 CE2 TYR A 31 -10.306 -2.887 -3.390 1.00 1.40 C ATOM 501 CZ TYR A 31 -10.378 -1.640 -4.015 1.00 0.58 C ATOM 502 OH TYR A 31 -9.809 -1.460 -5.253 1.00 0.72 O ATOM 0 H TYR A 31 -9.991 -2.880 0.863 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.217 -0.349 0.462 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -12.103 -3.249 0.156 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.227 -1.947 -0.177 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -12.115 0.062 -1.641 1.00 1.20 H new ATOM 0 HD2 TYR A 31 -10.827 -4.033 -1.648 1.00 1.36 H new ATOM 0 HE1 TYR A 31 -11.085 0.386 -3.870 1.00 1.23 H new ATOM 0 HE2 TYR A 31 -9.803 -3.708 -3.879 1.00 1.40 H new ATOM 0 HH TYR A 31 -10.455 -1.027 -5.850 1.00 0.72 H new ATOM 512 N GLN A 32 -12.465 -2.114 2.946 1.00 0.31 N ATOM 513 CA GLN A 32 -13.365 -1.998 4.126 1.00 0.35 C ATOM 514 C GLN A 32 -12.939 -0.812 4.998 1.00 0.33 C ATOM 515 O GLN A 32 -13.758 -0.088 5.526 1.00 0.34 O ATOM 516 CB GLN A 32 -13.261 -3.287 4.939 1.00 0.41 C ATOM 517 CG GLN A 32 -13.831 -4.452 4.128 1.00 1.25 C ATOM 518 CD GLN A 32 -13.599 -5.761 4.885 1.00 1.79 C ATOM 519 OE1 GLN A 32 -13.175 -5.750 6.023 1.00 2.35 O ATOM 520 NE2 GLN A 32 -13.849 -6.897 4.293 1.00 2.51 N ATOM 0 H GLN A 32 -11.955 -2.994 2.873 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.391 -1.838 3.793 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -12.220 -3.484 5.196 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -13.806 -3.182 5.877 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -14.897 -4.303 3.956 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -13.354 -4.496 3.149 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -14.205 -6.906 3.337 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -13.688 -7.775 4.786 1.00 2.51 H new ATOM 529 N PHE A 33 -11.660 -0.629 5.161 1.00 0.33 N ATOM 530 CA PHE A 33 -11.150 0.488 6.009 1.00 0.35 C ATOM 531 C PHE A 33 -11.590 1.853 5.463 1.00 0.32 C ATOM 532 O PHE A 33 -12.072 2.695 6.194 1.00 0.34 O ATOM 533 CB PHE A 33 -9.622 0.417 6.047 1.00 0.40 C ATOM 534 CG PHE A 33 -9.089 1.463 6.993 1.00 0.46 C ATOM 535 CD1 PHE A 33 -9.007 1.186 8.363 1.00 1.23 C ATOM 536 CD2 PHE A 33 -8.679 2.710 6.504 1.00 1.34 C ATOM 537 CE1 PHE A 33 -8.513 2.154 9.245 1.00 1.27 C ATOM 538 CE2 PHE A 33 -8.185 3.677 7.386 1.00 1.37 C ATOM 539 CZ PHE A 33 -8.101 3.400 8.756 1.00 0.63 C ATOM 0 H PHE A 33 -10.936 -1.211 4.739 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.563 0.382 7.012 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.302 -0.574 6.368 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.216 0.575 5.048 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -9.325 0.225 8.739 1.00 1.23 H new ATOM 0 HD2 PHE A 33 -8.744 2.925 5.448 1.00 1.34 H new ATOM 0 HE1 PHE A 33 -8.450 1.940 10.302 1.00 1.27 H new ATOM 0 HE2 PHE A 33 -7.868 4.638 7.010 1.00 1.37 H new ATOM 0 HZ PHE A 33 -7.719 4.147 9.436 1.00 0.63 H new ATOM 549 N ILE A 34 -11.394 2.093 4.196 1.00 0.28 N ATOM 550 CA ILE A 34 -11.761 3.419 3.609 1.00 0.27 C ATOM 551 C ILE A 34 -13.258 3.715 3.772 1.00 0.26 C ATOM 552 O ILE A 34 -13.636 4.787 4.201 1.00 0.27 O ATOM 553 CB ILE A 34 -11.385 3.424 2.122 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.859 3.424 1.997 1.00 0.32 C ATOM 555 CG2 ILE A 34 -11.954 4.675 1.440 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.458 3.171 0.544 1.00 0.59 C ATOM 0 H ILE A 34 -10.994 1.426 3.536 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.214 4.198 4.140 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.800 2.539 1.639 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.458 4.380 2.333 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.432 2.655 2.641 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.682 4.670 0.385 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -13.040 4.679 1.535 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.545 5.566 1.916 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.371 3.172 0.461 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.845 2.204 0.223 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.871 3.956 -0.089 1.00 0.59 H new ATOM 568 N MET A 35 -14.117 2.802 3.411 1.00 0.27 N ATOM 569 CA MET A 35 -15.578 3.079 3.529 1.00 0.29 C ATOM 570 C MET A 35 -15.970 3.372 4.981 1.00 0.29 C ATOM 571 O MET A 35 -16.787 4.232 5.243 1.00 0.31 O ATOM 572 CB MET A 35 -16.378 1.879 3.016 1.00 0.37 C ATOM 573 CG MET A 35 -16.256 1.797 1.492 1.00 0.44 C ATOM 574 SD MET A 35 -17.223 0.396 0.876 1.00 0.69 S ATOM 575 CE MET A 35 -15.923 -0.857 0.996 1.00 0.47 C ATOM 0 H MET A 35 -13.874 1.883 3.042 1.00 0.27 H new ATOM 0 HA MET A 35 -15.805 3.958 2.926 1.00 0.29 H new ATOM 0 HB2 MET A 35 -16.008 0.960 3.471 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.425 1.977 3.303 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.610 2.723 1.039 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.210 1.683 1.207 1.00 0.44 H new ATOM 0 HE1 MET A 35 -16.356 -1.846 0.848 1.00 0.47 H new ATOM 0 HE2 MET A 35 -15.169 -0.673 0.231 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.460 -0.807 1.981 1.00 0.47 H new ATOM 585 N ASP A 36 -15.422 2.664 5.930 1.00 0.31 N ATOM 586 CA ASP A 36 -15.807 2.917 7.349 1.00 0.37 C ATOM 587 C ASP A 36 -15.305 4.287 7.819 1.00 0.38 C ATOM 588 O ASP A 36 -16.032 5.037 8.441 1.00 0.45 O ATOM 589 CB ASP A 36 -15.207 1.831 8.242 1.00 0.43 C ATOM 590 CG ASP A 36 -15.918 0.503 7.976 1.00 0.51 C ATOM 591 OD1 ASP A 36 -17.018 0.537 7.449 1.00 1.12 O ATOM 592 OD2 ASP A 36 -15.352 -0.526 8.306 1.00 1.17 O ATOM 0 H ASP A 36 -14.731 1.928 5.788 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.895 2.902 7.416 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -14.140 1.731 8.044 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.312 2.108 9.291 1.00 0.43 H new ATOM 597 N ARG A 37 -14.075 4.621 7.546 1.00 0.39 N ATOM 598 CA ARG A 37 -13.556 5.942 8.005 1.00 0.46 C ATOM 599 C ARG A 37 -14.220 7.067 7.212 1.00 0.45 C ATOM 600 O ARG A 37 -14.559 8.102 7.751 1.00 0.59 O ATOM 601 CB ARG A 37 -12.038 5.997 7.795 1.00 0.53 C ATOM 602 CG ARG A 37 -11.328 5.038 8.771 1.00 1.16 C ATOM 603 CD ARG A 37 -10.930 5.772 10.061 1.00 1.28 C ATOM 604 NE ARG A 37 -11.946 6.807 10.403 1.00 1.77 N ATOM 605 CZ ARG A 37 -11.999 7.286 11.615 1.00 2.16 C ATOM 606 NH1 ARG A 37 -11.167 6.852 12.522 1.00 2.31 N ATOM 607 NH2 ARG A 37 -12.884 8.195 11.922 1.00 3.00 N ATOM 0 H ARG A 37 -13.411 4.044 7.030 1.00 0.39 H new ATOM 0 HA ARG A 37 -13.784 6.067 9.064 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.796 5.726 6.767 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -11.679 7.015 7.949 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -11.986 4.202 9.010 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -10.441 4.619 8.296 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -10.838 5.058 10.880 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -9.953 6.239 9.935 1.00 1.28 H new ATOM 0 HE ARG A 37 -12.597 7.140 9.692 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -10.477 6.140 12.282 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -11.206 7.225 13.471 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -13.536 8.532 11.213 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -12.924 8.568 12.870 1.00 3.00 H new ATOM 621 N PHE A 38 -14.403 6.868 5.932 1.00 0.40 N ATOM 622 CA PHE A 38 -15.040 7.910 5.067 1.00 0.41 C ATOM 623 C PHE A 38 -16.294 7.306 4.411 1.00 0.39 C ATOM 624 O PHE A 38 -16.183 6.437 3.570 1.00 0.51 O ATOM 625 CB PHE A 38 -14.034 8.326 3.990 1.00 0.43 C ATOM 626 CG PHE A 38 -12.734 8.710 4.656 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.603 9.964 5.265 1.00 1.47 C ATOM 628 CD2 PHE A 38 -11.661 7.810 4.672 1.00 1.21 C ATOM 629 CE1 PHE A 38 -11.399 10.317 5.889 1.00 1.54 C ATOM 630 CE2 PHE A 38 -10.459 8.163 5.297 1.00 1.27 C ATOM 631 CZ PHE A 38 -10.328 9.417 5.905 1.00 0.82 C ATOM 0 H PHE A 38 -14.134 6.015 5.441 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.326 8.782 5.656 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -13.871 7.507 3.290 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.424 9.165 3.414 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.430 10.659 5.254 1.00 1.47 H new ATOM 0 HD2 PHE A 38 -11.761 6.843 4.202 1.00 1.21 H new ATOM 0 HE1 PHE A 38 -11.298 11.285 6.358 1.00 1.54 H new ATOM 0 HE2 PHE A 38 -9.633 7.468 5.310 1.00 1.27 H new ATOM 0 HZ PHE A 38 -9.400 9.690 6.386 1.00 0.82 H new ATOM 641 N PRO A 39 -17.484 7.726 4.791 1.00 0.53 N ATOM 642 CA PRO A 39 -18.740 7.162 4.217 1.00 0.55 C ATOM 643 C PRO A 39 -19.085 7.745 2.841 1.00 0.47 C ATOM 644 O PRO A 39 -19.953 7.248 2.156 1.00 0.47 O ATOM 645 CB PRO A 39 -19.799 7.541 5.256 1.00 0.70 C ATOM 646 CG PRO A 39 -19.311 8.825 5.847 1.00 1.21 C ATOM 647 CD PRO A 39 -17.777 8.772 5.793 1.00 0.88 C ATOM 0 HA PRO A 39 -18.661 6.089 4.040 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.779 7.665 4.795 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -19.900 6.768 6.018 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.690 9.679 5.286 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -19.660 8.937 6.874 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -17.356 9.733 5.499 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -17.353 8.522 6.765 1.00 0.88 H new ATOM 655 N PHE A 40 -18.416 8.788 2.432 1.00 0.44 N ATOM 656 CA PHE A 40 -18.716 9.393 1.101 1.00 0.42 C ATOM 657 C PHE A 40 -18.519 8.335 0.010 1.00 0.34 C ATOM 658 O PHE A 40 -19.220 8.303 -0.981 1.00 0.36 O ATOM 659 CB PHE A 40 -17.758 10.570 0.844 1.00 0.48 C ATOM 660 CG PHE A 40 -17.356 11.199 2.157 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.336 11.528 3.098 1.00 2.20 C ATOM 662 CD2 PHE A 40 -16.005 11.455 2.432 1.00 2.34 C ATOM 663 CE1 PHE A 40 -17.970 12.113 4.315 1.00 3.29 C ATOM 664 CE2 PHE A 40 -15.640 12.042 3.650 1.00 3.41 C ATOM 665 CZ PHE A 40 -16.622 12.370 4.592 1.00 3.74 C ATOM 0 H PHE A 40 -17.675 9.248 2.961 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.745 9.751 1.087 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -16.873 10.221 0.312 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -18.241 11.312 0.208 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.376 11.330 2.885 1.00 2.20 H new ATOM 0 HD2 PHE A 40 -15.247 11.200 1.706 1.00 2.34 H new ATOM 0 HE1 PHE A 40 -18.728 12.367 5.041 1.00 3.29 H new ATOM 0 HE2 PHE A 40 -14.600 12.242 3.863 1.00 3.41 H new ATOM 0 HZ PHE A 40 -16.340 12.821 5.532 1.00 3.74 H new ATOM 675 N TYR A 41 -17.547 7.489 0.189 1.00 0.27 N ATOM 676 CA TYR A 41 -17.249 6.437 -0.821 1.00 0.25 C ATOM 677 C TYR A 41 -18.383 5.413 -0.882 1.00 0.29 C ATOM 678 O TYR A 41 -18.627 4.811 -1.908 1.00 0.35 O ATOM 679 CB TYR A 41 -15.950 5.747 -0.420 1.00 0.23 C ATOM 680 CG TYR A 41 -14.827 6.740 -0.565 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.540 7.616 0.485 1.00 1.04 C ATOM 682 CD2 TYR A 41 -14.080 6.786 -1.742 1.00 1.10 C ATOM 683 CE1 TYR A 41 -13.500 8.542 0.358 1.00 1.05 C ATOM 684 CE2 TYR A 41 -13.039 7.709 -1.878 1.00 1.12 C ATOM 685 CZ TYR A 41 -12.746 8.590 -0.825 1.00 0.34 C ATOM 686 OH TYR A 41 -11.719 9.502 -0.951 1.00 0.40 O ATOM 0 H TYR A 41 -16.936 7.481 1.006 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.151 6.891 -1.807 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -16.011 5.389 0.608 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.771 4.876 -1.051 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -15.121 7.578 1.394 1.00 1.04 H new ATOM 0 HD2 TYR A 41 -14.306 6.107 -2.550 1.00 1.10 H new ATOM 0 HE1 TYR A 41 -13.277 9.219 1.169 1.00 1.05 H new ATOM 0 HE2 TYR A 41 -12.462 7.744 -2.790 1.00 1.12 H new ATOM 0 HH TYR A 41 -11.299 9.402 -1.831 1.00 0.40 H new ATOM 696 N ARG A 42 -19.072 5.198 0.203 1.00 0.33 N ATOM 697 CA ARG A 42 -20.175 4.199 0.180 1.00 0.42 C ATOM 698 C ARG A 42 -21.221 4.614 -0.856 1.00 0.44 C ATOM 699 O ARG A 42 -21.752 3.793 -1.575 1.00 0.53 O ATOM 700 CB ARG A 42 -20.832 4.127 1.560 1.00 0.50 C ATOM 701 CG ARG A 42 -19.870 3.478 2.556 1.00 0.58 C ATOM 702 CD ARG A 42 -20.543 3.402 3.927 1.00 0.63 C ATOM 703 NE ARG A 42 -21.739 2.519 3.831 1.00 1.26 N ATOM 704 CZ ARG A 42 -22.322 2.086 4.914 1.00 1.66 C ATOM 705 NH1 ARG A 42 -21.869 2.439 6.085 1.00 1.95 N ATOM 706 NH2 ARG A 42 -23.363 1.302 4.823 1.00 2.51 N ATOM 0 H ARG A 42 -18.921 5.666 1.097 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.769 3.222 -0.082 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.100 5.128 1.898 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.756 3.551 1.504 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.595 2.479 2.217 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -18.949 4.057 2.621 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -19.845 3.012 4.668 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -20.836 4.398 4.259 1.00 0.63 H new ATOM 0 HE ARG A 42 -22.103 2.253 2.916 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -21.058 3.054 6.154 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -22.325 2.100 6.932 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -23.718 1.030 3.906 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -23.821 0.962 5.669 1.00 2.51 H new ATOM 720 N GLU A 43 -21.518 5.881 -0.948 1.00 0.42 N ATOM 721 CA GLU A 43 -22.527 6.330 -1.949 1.00 0.48 C ATOM 722 C GLU A 43 -21.974 6.099 -3.351 1.00 0.45 C ATOM 723 O GLU A 43 -22.674 5.688 -4.256 1.00 0.66 O ATOM 724 CB GLU A 43 -22.834 7.819 -1.758 1.00 0.62 C ATOM 725 CG GLU A 43 -23.593 8.024 -0.444 1.00 1.27 C ATOM 726 CD GLU A 43 -22.622 7.901 0.733 1.00 1.75 C ATOM 727 OE1 GLU A 43 -21.427 7.946 0.495 1.00 2.28 O ATOM 728 OE2 GLU A 43 -23.089 7.756 1.849 1.00 2.34 O ATOM 0 H GLU A 43 -21.109 6.621 -0.377 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.447 5.761 -1.814 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -21.907 8.393 -1.748 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -23.428 8.188 -2.594 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -24.068 9.005 -0.436 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -24.388 7.284 -0.352 1.00 1.27 H new ATOM 735 N ASN A 44 -20.715 6.366 -3.524 1.00 0.44 N ATOM 736 CA ASN A 44 -20.062 6.181 -4.855 1.00 0.43 C ATOM 737 C ASN A 44 -19.166 4.939 -4.810 1.00 0.37 C ATOM 738 O ASN A 44 -18.108 4.951 -4.214 1.00 0.47 O ATOM 739 CB ASN A 44 -19.197 7.407 -5.157 1.00 0.54 C ATOM 740 CG ASN A 44 -20.091 8.635 -5.342 1.00 1.30 C ATOM 741 OD1 ASN A 44 -21.259 8.512 -5.651 1.00 2.01 O ATOM 742 ND2 ASN A 44 -19.585 9.825 -5.159 1.00 1.97 N ATOM 0 H ASN A 44 -20.096 6.711 -2.790 1.00 0.44 H new ATOM 0 HA ASN A 44 -20.823 6.059 -5.626 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -18.493 7.577 -4.342 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.607 7.235 -6.057 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -20.171 10.652 -5.276 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -18.604 9.928 -4.899 1.00 1.97 H new ATOM 749 N LYS A 45 -19.577 3.866 -5.437 1.00 0.49 N ATOM 750 CA LYS A 45 -18.747 2.624 -5.430 1.00 0.61 C ATOM 751 C LYS A 45 -17.940 2.529 -6.723 1.00 0.71 C ATOM 752 O LYS A 45 -16.779 2.175 -6.718 1.00 0.97 O ATOM 753 CB LYS A 45 -19.669 1.408 -5.335 1.00 0.76 C ATOM 754 CG LYS A 45 -20.366 1.396 -3.974 1.00 0.74 C ATOM 755 CD LYS A 45 -21.288 0.177 -3.885 1.00 0.93 C ATOM 756 CE LYS A 45 -21.994 0.163 -2.526 1.00 1.11 C ATOM 757 NZ LYS A 45 -21.072 -0.376 -1.488 1.00 1.68 N ATOM 0 H LYS A 45 -20.453 3.797 -5.954 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.067 2.652 -4.579 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.410 1.438 -6.134 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.094 0.492 -5.468 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -19.626 1.365 -3.174 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -20.942 2.312 -3.840 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -22.024 0.206 -4.688 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -20.711 -0.738 -4.015 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -22.309 1.172 -2.258 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -22.895 -0.449 -2.579 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -21.554 -0.384 -0.566 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -20.792 -1.345 -1.741 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -20.225 0.225 -1.430 1.00 1.68 H new ATOM 771 N GLN A 46 -18.548 2.831 -7.835 1.00 0.95 N ATOM 772 CA GLN A 46 -17.819 2.745 -9.130 1.00 1.12 C ATOM 773 C GLN A 46 -16.910 3.964 -9.297 1.00 0.71 C ATOM 774 O GLN A 46 -17.282 5.073 -8.971 1.00 1.16 O ATOM 775 CB GLN A 46 -18.836 2.709 -10.272 1.00 1.90 C ATOM 776 CG GLN A 46 -19.604 1.385 -10.236 1.00 2.64 C ATOM 777 CD GLN A 46 -18.706 0.255 -10.742 1.00 3.38 C ATOM 778 OE1 GLN A 46 -18.466 -0.707 -10.040 1.00 3.81 O ATOM 779 NE2 GLN A 46 -18.202 0.327 -11.944 1.00 3.98 N ATOM 0 H GLN A 46 -19.520 3.134 -7.903 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.210 1.841 -9.145 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -19.529 3.545 -10.181 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -18.327 2.819 -11.229 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -19.934 1.173 -9.219 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -20.499 1.456 -10.854 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -18.403 1.134 -12.534 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -17.607 -0.424 -12.293 1.00 3.98 H new ATOM 788 N GLY A 47 -15.725 3.763 -9.817 1.00 0.78 N ATOM 789 CA GLY A 47 -14.777 4.900 -10.034 1.00 0.73 C ATOM 790 C GLY A 47 -13.587 4.794 -9.077 1.00 0.54 C ATOM 791 O GLY A 47 -12.450 4.715 -9.499 1.00 0.64 O ATOM 0 H GLY A 47 -15.370 2.851 -10.103 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -14.424 4.895 -11.065 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -15.294 5.847 -9.878 1.00 0.73 H new ATOM 795 N TRP A 48 -13.829 4.811 -7.794 1.00 0.44 N ATOM 796 CA TRP A 48 -12.700 4.733 -6.820 1.00 0.33 C ATOM 797 C TRP A 48 -12.384 3.271 -6.480 1.00 0.31 C ATOM 798 O TRP A 48 -11.361 2.971 -5.896 1.00 0.37 O ATOM 799 CB TRP A 48 -13.085 5.496 -5.546 1.00 0.36 C ATOM 800 CG TRP A 48 -14.003 4.682 -4.688 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.347 4.597 -4.831 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.660 3.843 -3.548 1.00 0.35 C ATOM 803 NE1 TRP A 48 -15.848 3.766 -3.846 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.848 3.277 -3.031 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.445 3.528 -2.918 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.831 2.426 -1.924 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.423 2.672 -1.807 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.612 2.123 -1.311 1.00 0.42 C ATOM 0 H TRP A 48 -14.758 4.875 -7.378 1.00 0.44 H new ATOM 0 HA TRP A 48 -11.811 5.181 -7.264 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.186 5.749 -4.984 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -13.569 6.435 -5.813 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -15.931 5.096 -5.590 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -16.837 3.542 -3.735 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.522 3.947 -3.291 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.751 2.006 -1.545 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.483 2.435 -1.331 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.587 1.465 -0.455 1.00 0.42 H new ATOM 819 N GLN A 49 -13.264 2.364 -6.806 1.00 0.41 N ATOM 820 CA GLN A 49 -13.013 0.935 -6.464 1.00 0.47 C ATOM 821 C GLN A 49 -11.874 0.360 -7.315 1.00 0.37 C ATOM 822 O GLN A 49 -10.877 -0.095 -6.798 1.00 0.38 O ATOM 823 CB GLN A 49 -14.293 0.130 -6.713 1.00 0.65 C ATOM 824 CG GLN A 49 -14.157 -1.286 -6.139 1.00 1.21 C ATOM 825 CD GLN A 49 -14.410 -1.258 -4.630 1.00 1.35 C ATOM 826 OE1 GLN A 49 -13.588 -0.785 -3.872 1.00 1.96 O ATOM 827 NE2 GLN A 49 -15.526 -1.744 -4.157 1.00 1.59 N ATOM 0 H GLN A 49 -14.142 2.549 -7.292 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.724 0.870 -5.415 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -15.143 0.635 -6.253 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -14.494 0.077 -7.783 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -14.868 -1.955 -6.624 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -13.160 -1.677 -6.343 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -16.218 -2.142 -4.792 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -15.705 -1.726 -3.153 1.00 1.59 H new ATOM 836 N ASN A 50 -12.018 0.356 -8.613 1.00 0.37 N ATOM 837 CA ASN A 50 -10.946 -0.219 -9.478 1.00 0.39 C ATOM 838 C ASN A 50 -9.719 0.699 -9.513 1.00 0.34 C ATOM 839 O ASN A 50 -8.607 0.249 -9.705 1.00 0.39 O ATOM 840 CB ASN A 50 -11.477 -0.403 -10.901 1.00 0.53 C ATOM 841 CG ASN A 50 -12.658 -1.375 -10.883 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.614 -2.389 -10.213 1.00 1.25 O ATOM 843 ND2 ASN A 50 -13.714 -1.115 -11.602 1.00 1.28 N ATOM 0 H ASN A 50 -12.828 0.724 -9.111 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.651 -1.182 -9.062 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.789 0.557 -11.311 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.688 -0.785 -11.549 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -14.503 -1.762 -11.602 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.752 -0.265 -12.164 1.00 1.28 H new ATOM 850 N SER A 51 -9.904 1.979 -9.346 1.00 0.31 N ATOM 851 CA SER A 51 -8.741 2.912 -9.390 1.00 0.36 C ATOM 852 C SER A 51 -7.737 2.543 -8.296 1.00 0.37 C ATOM 853 O SER A 51 -6.539 2.613 -8.490 1.00 0.50 O ATOM 854 CB SER A 51 -9.222 4.348 -9.174 1.00 0.38 C ATOM 855 OG SER A 51 -9.971 4.766 -10.307 1.00 1.49 O ATOM 0 H SER A 51 -10.809 2.420 -9.181 1.00 0.31 H new ATOM 0 HA SER A 51 -8.259 2.833 -10.365 1.00 0.36 H new ATOM 0 HB2 SER A 51 -9.836 4.407 -8.275 1.00 0.38 H new ATOM 0 HB3 SER A 51 -8.370 5.011 -9.022 1.00 0.38 H new ATOM 0 HG SER A 51 -10.880 5.003 -10.029 1.00 1.49 H new ATOM 861 N ILE A 52 -8.213 2.165 -7.144 1.00 0.33 N ATOM 862 CA ILE A 52 -7.288 1.810 -6.031 1.00 0.43 C ATOM 863 C ILE A 52 -6.386 0.640 -6.448 1.00 0.42 C ATOM 864 O ILE A 52 -5.197 0.647 -6.199 1.00 0.47 O ATOM 865 CB ILE A 52 -8.126 1.398 -4.814 1.00 0.51 C ATOM 866 CG1 ILE A 52 -8.879 2.620 -4.248 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.223 0.776 -3.739 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.002 3.414 -3.275 1.00 0.64 C ATOM 0 H ILE A 52 -9.206 2.086 -6.924 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.661 2.668 -5.787 1.00 0.43 H new ATOM 0 HB ILE A 52 -8.860 0.654 -5.124 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.194 3.267 -5.067 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -9.783 2.288 -3.738 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -7.827 0.487 -2.879 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.726 -0.105 -4.146 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.474 1.504 -3.428 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -8.562 4.268 -2.894 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -7.708 2.773 -2.444 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.110 3.767 -3.794 1.00 0.64 H new ATOM 880 N ARG A 53 -6.935 -0.375 -7.059 1.00 0.45 N ATOM 881 CA ARG A 53 -6.101 -1.548 -7.458 1.00 0.53 C ATOM 882 C ARG A 53 -5.137 -1.162 -8.586 1.00 0.49 C ATOM 883 O ARG A 53 -3.974 -1.516 -8.564 1.00 0.47 O ATOM 884 CB ARG A 53 -7.018 -2.671 -7.954 1.00 0.76 C ATOM 885 CG ARG A 53 -8.260 -2.745 -7.065 1.00 0.56 C ATOM 886 CD ARG A 53 -8.961 -4.092 -7.256 1.00 0.37 C ATOM 887 NE ARG A 53 -8.848 -4.518 -8.679 1.00 1.42 N ATOM 888 CZ ARG A 53 -9.057 -5.765 -9.004 1.00 1.74 C ATOM 889 NH1 ARG A 53 -9.329 -6.644 -8.080 1.00 1.58 N ATOM 890 NH2 ARG A 53 -8.987 -6.133 -10.254 1.00 2.76 N ATOM 0 H ARG A 53 -7.924 -0.444 -7.299 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.525 -1.880 -6.594 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -7.309 -2.488 -8.988 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -6.487 -3.623 -7.936 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -7.977 -2.618 -6.020 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -8.943 -1.932 -7.312 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -8.512 -4.842 -6.605 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -10.010 -4.010 -6.973 1.00 0.37 H new ATOM 0 HE ARG A 53 -8.608 -3.836 -9.399 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -9.379 -6.357 -7.102 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -9.492 -7.618 -8.335 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -8.769 -5.447 -10.976 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -9.150 -7.107 -10.509 1.00 2.76 H new ATOM 904 N HIS A 54 -5.607 -0.455 -9.579 1.00 0.52 N ATOM 905 CA HIS A 54 -4.703 -0.076 -10.701 1.00 0.59 C ATOM 906 C HIS A 54 -3.545 0.758 -10.156 1.00 0.53 C ATOM 907 O HIS A 54 -2.404 0.576 -10.534 1.00 0.59 O ATOM 908 CB HIS A 54 -5.481 0.738 -11.740 1.00 0.67 C ATOM 909 CG HIS A 54 -6.414 -0.169 -12.498 1.00 1.12 C ATOM 910 ND1 HIS A 54 -7.781 0.056 -12.556 1.00 1.81 N ATOM 911 CD2 HIS A 54 -6.189 -1.302 -13.242 1.00 1.99 C ATOM 912 CE1 HIS A 54 -8.321 -0.919 -13.309 1.00 2.38 C ATOM 913 NE2 HIS A 54 -7.395 -1.774 -13.752 1.00 2.48 N ATOM 0 H HIS A 54 -6.569 -0.126 -9.661 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.313 -0.977 -11.174 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -6.047 1.529 -11.248 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -4.789 1.223 -12.429 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -5.223 -1.757 -13.406 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -9.375 -1.001 -13.529 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -7.541 -2.596 -14.338 1.00 2.48 H new ATOM 921 N ASN A 55 -3.823 1.660 -9.257 1.00 0.46 N ATOM 922 CA ASN A 55 -2.725 2.484 -8.680 1.00 0.50 C ATOM 923 C ASN A 55 -1.745 1.560 -7.957 1.00 0.45 C ATOM 924 O ASN A 55 -0.544 1.705 -8.062 1.00 0.51 O ATOM 925 CB ASN A 55 -3.305 3.497 -7.692 1.00 0.53 C ATOM 926 CG ASN A 55 -2.171 4.339 -7.104 1.00 1.27 C ATOM 927 OD1 ASN A 55 -1.875 4.243 -5.929 1.00 2.07 O ATOM 928 ND2 ASN A 55 -1.518 5.165 -7.875 1.00 1.97 N ATOM 0 H ASN A 55 -4.756 1.862 -8.899 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.208 3.022 -9.475 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -4.027 4.140 -8.195 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -3.840 2.980 -6.895 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -0.760 5.729 -7.491 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -1.766 5.246 -8.861 1.00 1.97 H new ATOM 935 N LEU A 56 -2.254 0.603 -7.228 1.00 0.39 N ATOM 936 CA LEU A 56 -1.357 -0.336 -6.503 1.00 0.39 C ATOM 937 C LEU A 56 -0.463 -1.077 -7.500 1.00 0.44 C ATOM 938 O LEU A 56 0.731 -1.190 -7.307 1.00 0.78 O ATOM 939 CB LEU A 56 -2.197 -1.339 -5.704 1.00 0.44 C ATOM 940 CG LEU A 56 -2.720 -0.678 -4.418 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.806 -1.565 -3.803 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.576 -0.477 -3.402 1.00 0.53 C ATOM 0 H LEU A 56 -3.252 0.433 -7.105 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.726 0.228 -5.816 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -3.033 -1.689 -6.309 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.595 -2.213 -5.455 1.00 0.44 H new ATOM 0 HG LEU A 56 -3.134 0.299 -4.667 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -4.181 -1.101 -2.890 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.625 -1.683 -4.513 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -3.387 -2.543 -3.567 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -1.969 -0.008 -2.500 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -1.141 -1.444 -3.148 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -0.809 0.163 -3.839 1.00 0.53 H new ATOM 954 N SER A 57 -1.027 -1.586 -8.560 1.00 0.55 N ATOM 955 CA SER A 57 -0.196 -2.316 -9.557 1.00 0.61 C ATOM 956 C SER A 57 0.702 -1.332 -10.309 1.00 0.64 C ATOM 957 O SER A 57 1.860 -1.603 -10.561 1.00 0.69 O ATOM 958 CB SER A 57 -1.106 -3.034 -10.556 1.00 0.71 C ATOM 959 OG SER A 57 -0.311 -3.834 -11.420 1.00 1.60 O ATOM 0 H SER A 57 -2.022 -1.529 -8.778 1.00 0.55 H new ATOM 0 HA SER A 57 0.425 -3.045 -9.036 1.00 0.61 H new ATOM 0 HB2 SER A 57 -1.828 -3.656 -10.027 1.00 0.71 H new ATOM 0 HB3 SER A 57 -1.675 -2.307 -11.135 1.00 0.71 H new ATOM 0 HG SER A 57 -0.889 -4.297 -12.061 1.00 1.60 H new ATOM 965 N LEU A 58 0.178 -0.196 -10.680 1.00 0.65 N ATOM 966 CA LEU A 58 1.002 0.795 -11.428 1.00 0.73 C ATOM 967 C LEU A 58 2.119 1.331 -10.533 1.00 0.69 C ATOM 968 O LEU A 58 3.235 1.526 -10.971 1.00 0.76 O ATOM 969 CB LEU A 58 0.124 1.961 -11.882 1.00 0.81 C ATOM 970 CG LEU A 58 -0.834 1.493 -12.985 1.00 0.95 C ATOM 971 CD1 LEU A 58 -1.866 2.594 -13.249 1.00 1.38 C ATOM 972 CD2 LEU A 58 -0.063 1.178 -14.281 1.00 1.31 C ATOM 0 H LEU A 58 -0.784 0.089 -10.498 1.00 0.65 H new ATOM 0 HA LEU A 58 1.438 0.302 -12.297 1.00 0.73 H new ATOM 0 HB2 LEU A 58 -0.443 2.351 -11.037 1.00 0.81 H new ATOM 0 HB3 LEU A 58 0.748 2.775 -12.251 1.00 0.81 H new ATOM 0 HG LEU A 58 -1.336 0.582 -12.658 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -2.552 2.270 -14.032 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -2.427 2.794 -12.336 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -1.355 3.503 -13.567 1.00 1.38 H new ATOM 0 HD21 LEU A 58 -0.762 0.848 -15.049 1.00 1.31 H new ATOM 0 HD22 LEU A 58 0.455 2.074 -14.623 1.00 1.31 H new ATOM 0 HD23 LEU A 58 0.664 0.389 -14.089 1.00 1.31 H new ATOM 984 N ASN A 59 1.832 1.576 -9.285 1.00 0.62 N ATOM 985 CA ASN A 59 2.888 2.103 -8.379 1.00 0.61 C ATOM 986 C ASN A 59 3.850 0.970 -8.025 1.00 0.56 C ATOM 987 O ASN A 59 3.462 -0.027 -7.450 1.00 0.52 O ATOM 988 CB ASN A 59 2.251 2.641 -7.095 1.00 0.64 C ATOM 989 CG ASN A 59 1.425 3.890 -7.408 1.00 0.83 C ATOM 990 OD1 ASN A 59 0.589 4.344 -6.514 1.00 1.42 O flip ATOM 991 ND2 ASN A 59 1.552 4.468 -8.469 1.00 1.29 N flip ATOM 0 H ASN A 59 0.917 1.435 -8.856 1.00 0.62 H new ATOM 0 HA ASN A 59 3.425 2.909 -8.879 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.616 1.877 -6.646 1.00 0.64 H new ATOM 0 HB3 ASN A 59 3.026 2.880 -6.367 1.00 0.64 H new ATOM 0 HD21 ASN A 59 2.205 4.114 -9.168 1.00 1.29 H new ATOM 0 HD22 ASN A 59 1.006 5.308 -8.661 1.00 1.29 H new ATOM 998 N GLU A 60 5.104 1.114 -8.356 1.00 0.62 N ATOM 999 CA GLU A 60 6.089 0.047 -8.030 1.00 0.65 C ATOM 1000 C GLU A 60 6.676 0.329 -6.647 1.00 0.58 C ATOM 1001 O GLU A 60 7.468 -0.432 -6.125 1.00 0.55 O ATOM 1002 CB GLU A 60 7.201 0.044 -9.080 1.00 0.84 C ATOM 1003 CG GLU A 60 6.596 -0.249 -10.456 1.00 0.97 C ATOM 1004 CD GLU A 60 7.704 -0.253 -11.512 1.00 1.52 C ATOM 1005 OE1 GLU A 60 8.810 0.144 -11.184 1.00 2.17 O ATOM 1006 OE2 GLU A 60 7.427 -0.653 -12.630 1.00 2.02 O ATOM 0 H GLU A 60 5.488 1.926 -8.839 1.00 0.62 H new ATOM 0 HA GLU A 60 5.602 -0.928 -8.029 1.00 0.65 H new ATOM 0 HB2 GLU A 60 7.709 1.008 -9.091 1.00 0.84 H new ATOM 0 HB3 GLU A 60 7.950 -0.708 -8.831 1.00 0.84 H new ATOM 0 HG2 GLU A 60 6.088 -1.213 -10.443 1.00 0.97 H new ATOM 0 HG3 GLU A 60 5.847 0.503 -10.703 1.00 0.97 H new ATOM 1013 N CYS A 61 6.282 1.420 -6.048 1.00 0.62 N ATOM 1014 CA CYS A 61 6.801 1.760 -4.694 1.00 0.65 C ATOM 1015 C CYS A 61 6.373 0.678 -3.700 1.00 0.53 C ATOM 1016 O CYS A 61 7.127 0.283 -2.834 1.00 0.57 O ATOM 1017 CB CYS A 61 6.226 3.110 -4.257 1.00 0.78 C ATOM 1018 SG CYS A 61 6.955 4.433 -5.254 1.00 1.56 S ATOM 0 H CYS A 61 5.622 2.091 -6.440 1.00 0.62 H new ATOM 0 HA CYS A 61 7.889 1.818 -4.722 1.00 0.65 H new ATOM 0 HB2 CYS A 61 5.142 3.109 -4.372 1.00 0.78 H new ATOM 0 HB3 CYS A 61 6.434 3.280 -3.201 1.00 0.78 H new ATOM 0 HG CYS A 61 6.463 5.578 -4.882 1.00 1.56 H new ATOM 1024 N PHE A 62 5.165 0.198 -3.818 1.00 0.46 N ATOM 1025 CA PHE A 62 4.682 -0.855 -2.880 1.00 0.40 C ATOM 1026 C PHE A 62 5.212 -2.220 -3.330 1.00 0.44 C ATOM 1027 O PHE A 62 5.471 -2.439 -4.496 1.00 0.55 O ATOM 1028 CB PHE A 62 3.153 -0.877 -2.885 1.00 0.44 C ATOM 1029 CG PHE A 62 2.631 0.485 -2.487 1.00 0.40 C ATOM 1030 CD1 PHE A 62 2.652 0.879 -1.144 1.00 1.29 C ATOM 1031 CD2 PHE A 62 2.125 1.352 -3.464 1.00 1.27 C ATOM 1032 CE1 PHE A 62 2.167 2.141 -0.778 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.641 2.613 -3.097 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.662 3.008 -1.754 1.00 0.59 C ATOM 0 H PHE A 62 4.490 0.490 -4.525 1.00 0.46 H new ATOM 0 HA PHE A 62 5.040 -0.639 -1.874 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.785 -1.145 -3.876 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.787 -1.636 -2.193 1.00 0.44 H new ATOM 0 HD1 PHE A 62 3.042 0.210 -0.391 1.00 1.29 H new ATOM 0 HD2 PHE A 62 2.108 1.048 -4.500 1.00 1.27 H new ATOM 0 HE1 PHE A 62 2.183 2.445 0.258 1.00 1.32 H new ATOM 0 HE2 PHE A 62 1.251 3.282 -3.850 1.00 1.32 H new ATOM 0 HZ PHE A 62 1.289 3.981 -1.471 1.00 0.59 H new ATOM 1044 N VAL A 63 5.375 -3.136 -2.408 1.00 0.46 N ATOM 1045 CA VAL A 63 5.887 -4.497 -2.756 1.00 0.55 C ATOM 1046 C VAL A 63 4.936 -5.560 -2.202 1.00 0.45 C ATOM 1047 O VAL A 63 4.607 -5.562 -1.033 1.00 0.45 O ATOM 1048 CB VAL A 63 7.271 -4.682 -2.127 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.779 -6.098 -2.405 1.00 0.85 C ATOM 1050 CG2 VAL A 63 8.243 -3.668 -2.733 1.00 0.91 C ATOM 0 H VAL A 63 5.173 -2.997 -1.418 1.00 0.46 H new ATOM 0 HA VAL A 63 5.952 -4.599 -3.839 1.00 0.55 H new ATOM 0 HB VAL A 63 7.202 -4.527 -1.050 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.764 -6.226 -1.956 1.00 0.85 H new ATOM 0 HG12 VAL A 63 7.088 -6.823 -1.976 1.00 0.85 H new ATOM 0 HG13 VAL A 63 7.848 -6.255 -3.481 1.00 0.85 H new ATOM 0 HG21 VAL A 63 9.229 -3.798 -2.287 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.308 -3.825 -3.810 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.885 -2.658 -2.535 1.00 0.91 H new ATOM 1060 N LYS A 64 4.502 -6.473 -3.030 1.00 0.53 N ATOM 1061 CA LYS A 64 3.582 -7.545 -2.547 1.00 0.56 C ATOM 1062 C LYS A 64 4.402 -8.675 -1.921 1.00 0.54 C ATOM 1063 O LYS A 64 5.524 -8.931 -2.307 1.00 0.77 O ATOM 1064 CB LYS A 64 2.759 -8.099 -3.720 1.00 0.84 C ATOM 1065 CG LYS A 64 1.575 -7.173 -4.019 1.00 0.94 C ATOM 1066 CD LYS A 64 0.701 -7.781 -5.129 1.00 1.11 C ATOM 1067 CE LYS A 64 1.242 -7.383 -6.504 1.00 1.05 C ATOM 1068 NZ LYS A 64 0.441 -8.059 -7.563 1.00 1.81 N ATOM 0 H LYS A 64 4.744 -6.523 -4.019 1.00 0.53 H new ATOM 0 HA LYS A 64 2.905 -7.126 -1.802 1.00 0.56 H new ATOM 0 HB2 LYS A 64 3.390 -8.192 -4.604 1.00 0.84 H new ATOM 0 HB3 LYS A 64 2.397 -9.099 -3.480 1.00 0.84 H new ATOM 0 HG2 LYS A 64 0.981 -7.025 -3.117 1.00 0.94 H new ATOM 0 HG3 LYS A 64 1.938 -6.192 -4.326 1.00 0.94 H new ATOM 0 HD2 LYS A 64 0.686 -8.867 -5.036 1.00 1.11 H new ATOM 0 HD3 LYS A 64 -0.328 -7.437 -5.021 1.00 1.11 H new ATOM 0 HE2 LYS A 64 1.191 -6.301 -6.628 1.00 1.05 H new ATOM 0 HE3 LYS A 64 2.291 -7.665 -6.590 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 0.806 -7.791 -8.499 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 0.511 -9.090 -7.447 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 -0.555 -7.769 -7.484 1.00 1.81 H new ATOM 1082 N VAL A 65 3.834 -9.355 -0.959 1.00 0.50 N ATOM 1083 CA VAL A 65 4.544 -10.487 -0.286 1.00 0.57 C ATOM 1084 C VAL A 65 3.590 -11.693 -0.245 1.00 0.63 C ATOM 1085 O VAL A 65 2.964 -11.960 0.761 1.00 0.84 O ATOM 1086 CB VAL A 65 4.963 -10.068 1.149 1.00 0.69 C ATOM 1087 CG1 VAL A 65 6.486 -9.901 1.233 1.00 1.28 C ATOM 1088 CG2 VAL A 65 4.308 -8.732 1.522 1.00 0.69 C ATOM 0 H VAL A 65 2.895 -9.172 -0.605 1.00 0.50 H new ATOM 0 HA VAL A 65 5.447 -10.753 -0.835 1.00 0.57 H new ATOM 0 HB VAL A 65 4.638 -10.848 1.837 1.00 0.69 H new ATOM 0 HG11 VAL A 65 6.765 -9.607 2.245 1.00 1.28 H new ATOM 0 HG12 VAL A 65 6.970 -10.845 0.983 1.00 1.28 H new ATOM 0 HG13 VAL A 65 6.807 -9.132 0.531 1.00 1.28 H new ATOM 0 HG21 VAL A 65 4.609 -8.448 2.530 1.00 0.69 H new ATOM 0 HG22 VAL A 65 4.625 -7.962 0.818 1.00 0.69 H new ATOM 0 HG23 VAL A 65 3.224 -8.835 1.483 1.00 0.69 H new ATOM 1098 N PRO A 66 3.469 -12.414 -1.331 1.00 0.81 N ATOM 1099 CA PRO A 66 2.564 -13.597 -1.404 1.00 0.96 C ATOM 1100 C PRO A 66 2.661 -14.478 -0.158 1.00 0.95 C ATOM 1101 O PRO A 66 3.623 -14.419 0.582 1.00 1.13 O ATOM 1102 CB PRO A 66 3.061 -14.344 -2.645 1.00 1.25 C ATOM 1103 CG PRO A 66 3.588 -13.268 -3.538 1.00 1.65 C ATOM 1104 CD PRO A 66 4.172 -12.195 -2.611 1.00 1.18 C ATOM 0 HA PRO A 66 1.514 -13.311 -1.460 1.00 0.96 H new ATOM 0 HB2 PRO A 66 3.838 -15.065 -2.391 1.00 1.25 H new ATOM 0 HB3 PRO A 66 2.255 -14.899 -3.124 1.00 1.25 H new ATOM 0 HG2 PRO A 66 4.351 -13.659 -4.211 1.00 1.65 H new ATOM 0 HG3 PRO A 66 2.795 -12.855 -4.161 1.00 1.65 H new ATOM 0 HD2 PRO A 66 5.250 -12.307 -2.499 1.00 1.18 H new ATOM 0 HD3 PRO A 66 3.994 -11.192 -2.998 1.00 1.18 H new ATOM 1265 N TYR A 77 -0.136 -10.103 -0.210 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.159 -9.227 1.004 1.00 0.46 C ATOM 1267 C TYR A 77 0.418 -7.866 0.593 1.00 0.38 C ATOM 1268 O TYR A 77 1.133 -7.768 -0.385 1.00 0.50 O ATOM 1269 CB TYR A 77 0.711 -9.819 2.132 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.070 -10.763 3.033 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -1.263 -10.351 3.655 1.00 1.23 C ATOM 1272 CD2 TYR A 77 0.433 -12.051 3.287 1.00 1.39 C ATOM 1273 CE1 TYR A 77 -1.945 -11.225 4.509 1.00 1.32 C ATOM 1274 CE2 TYR A 77 -0.251 -12.918 4.149 1.00 1.38 C ATOM 1275 CZ TYR A 77 -1.441 -12.506 4.755 1.00 0.70 C ATOM 1276 OH TYR A 77 -2.115 -13.360 5.605 1.00 0.90 O ATOM 0 HA TYR A 77 -1.180 -9.140 1.375 1.00 0.46 H new ATOM 0 HB2 TYR A 77 1.554 -10.354 1.694 1.00 0.65 H new ATOM 0 HB3 TYR A 77 1.125 -9.008 2.732 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -1.652 -9.360 3.473 1.00 1.23 H new ATOM 0 HD2 TYR A 77 1.350 -12.373 2.816 1.00 1.39 H new ATOM 0 HE1 TYR A 77 -2.864 -10.909 4.980 1.00 1.32 H new ATOM 0 HE2 TYR A 77 0.141 -13.905 4.345 1.00 1.38 H new ATOM 0 HH TYR A 77 -1.631 -14.210 5.666 1.00 0.90 H new ATOM 1286 N TRP A 78 0.121 -6.821 1.326 1.00 0.32 N ATOM 1287 CA TRP A 78 0.656 -5.465 0.978 1.00 0.31 C ATOM 1288 C TRP A 78 1.446 -4.890 2.155 1.00 0.32 C ATOM 1289 O TRP A 78 1.020 -4.941 3.292 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.511 -4.537 0.636 1.00 0.34 C ATOM 1291 CG TRP A 78 -1.061 -4.921 -0.700 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -2.179 -5.656 -0.906 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.523 -4.611 -2.018 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.362 -5.814 -2.268 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.367 -5.190 -2.995 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.603 -3.892 -2.456 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.100 -5.059 -4.359 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.872 -3.759 -3.827 1.00 0.45 C ATOM 1299 CH2 TRP A 78 0.024 -4.342 -4.776 1.00 0.46 C ATOM 0 H TRP A 78 -0.472 -6.848 2.155 1.00 0.32 H new ATOM 0 HA TRP A 78 1.322 -5.551 0.119 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.287 -4.611 1.398 1.00 0.34 H new ATOM 0 HB3 TRP A 78 -0.176 -3.500 0.622 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.822 -6.053 -0.134 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -3.138 -6.329 -2.685 1.00 0.46 H new ATOM 0 HE3 TRP A 78 1.265 -3.439 -1.733 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.758 -5.509 -5.087 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.739 -3.203 -4.152 1.00 0.45 H new ATOM 0 HH2 TRP A 78 0.239 -4.238 -5.829 1.00 0.46 H new ATOM 1310 N THR A 79 2.599 -4.337 1.882 1.00 0.33 N ATOM 1311 CA THR A 79 3.435 -3.747 2.968 1.00 0.37 C ATOM 1312 C THR A 79 4.307 -2.630 2.384 1.00 0.40 C ATOM 1313 O THR A 79 4.516 -2.556 1.189 1.00 0.45 O ATOM 1314 CB THR A 79 4.325 -4.836 3.573 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.997 -4.317 4.712 1.00 0.55 O ATOM 1316 CG2 THR A 79 5.355 -5.301 2.541 1.00 0.56 C ATOM 0 H THR A 79 3.000 -4.269 0.946 1.00 0.33 H new ATOM 0 HA THR A 79 2.792 -3.335 3.746 1.00 0.37 H new ATOM 0 HB THR A 79 3.706 -5.684 3.867 1.00 0.49 H new ATOM 0 HG1 THR A 79 5.566 -5.013 5.102 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.984 -6.076 2.979 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.840 -5.702 1.668 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.975 -4.457 2.240 1.00 0.56 H new ATOM 1324 N LEU A 80 4.819 -1.760 3.212 1.00 0.45 N ATOM 1325 CA LEU A 80 5.674 -0.652 2.695 1.00 0.53 C ATOM 1326 C LEU A 80 7.085 -1.180 2.423 1.00 0.74 C ATOM 1327 O LEU A 80 7.485 -2.208 2.932 1.00 1.42 O ATOM 1328 CB LEU A 80 5.746 0.478 3.726 1.00 0.54 C ATOM 1329 CG LEU A 80 4.354 1.079 3.948 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.419 2.077 5.107 1.00 0.86 C ATOM 1331 CD2 LEU A 80 3.866 1.793 2.675 1.00 0.81 C ATOM 0 H LEU A 80 4.683 -1.768 4.223 1.00 0.45 H new ATOM 0 HA LEU A 80 5.240 -0.269 1.771 1.00 0.53 H new ATOM 0 HB2 LEU A 80 6.140 0.097 4.668 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.434 1.251 3.382 1.00 0.54 H new ATOM 0 HG LEU A 80 3.653 0.279 4.186 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.432 2.509 5.271 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.745 1.564 6.011 1.00 0.86 H new ATOM 0 HD13 LEU A 80 5.126 2.870 4.865 1.00 0.86 H new ATOM 0 HD21 LEU A 80 2.876 2.214 2.851 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.560 2.593 2.418 1.00 0.81 H new ATOM 0 HD23 LEU A 80 3.816 1.078 1.854 1.00 0.81 H new