USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 807 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 86 ASN :FLIP amide:sc= -0.535 F(o=-1.4,f=0.5) USER MOD Set 1.2: A 104 THR OG1 : rot -6:sc= 1.04 USER MOD Set 2.1: A 72 HIS : no HE2:sc= -6.33! C(o=-7.3!,f=-9.3!) USER MOD Set 2.2: A 74 HIS : no HE2:sc= -0.962 K(o=-7.3,f=-9.1) USER MOD Set 3.1: A 55 ASN : amide:sc= -0.779 X(o=-0.54,f=-0.45) USER MOD Set 3.2: A 57 TYR OH : rot -140:sc= 0.244 USER MOD Set 4.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 83 HIS : no HD1:sc= -8.44! C(o=-8.4!,f=-12!) USER MOD Set 5.1: A 37 TYR OH : rot 57:sc= -4.6! USER MOD Set 5.2: A 90 MET CE :methyl 169:sc= -6.41! (180deg=-6.9!) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -5.52! C(o=-6.4!,f=-5.5!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0674) USER MOD Single : A 9 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-9.1!) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.07! C(o=-3!,f=-2.1!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.928 F(o=-2.7!,f=-0.93) USER MOD Single : A 28 SER OG : rot 66:sc= 0.484 USER MOD Single : A 29 ASN : amide:sc= -4.06! C(o=-4.1!,f=-5.6!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.238 USER MOD Single : A 42 THR OG1 : rot 68:sc= 1 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.315 K(o=-0.31,f=-1.4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -138:sc= -0.736 (180deg=-1.66!) USER MOD Single : A 52 THR OG1 : rot 104:sc= 1.2 USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= -0.0498 (180deg=-0.297) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= 1.33 (180deg=1.21) USER MOD Single : A 70 THR OG1 : rot 54:sc= 0.511 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= -0.0275 (180deg=-0.188) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 104:sc= 1.81 USER MOD Single : A 89 TYR OH : rot -96:sc= -1.98! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 100 SER OG : rot 78:sc= 0.405 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= -0.0619 F(o=-2.1!,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -6.474 -10.077 5.477 1.00 0.59 N ATOM 2 CA HIS A 3 -5.467 -9.212 6.066 1.00 0.46 C ATOM 3 C HIS A 3 -5.493 -7.876 5.337 1.00 0.43 C ATOM 4 O HIS A 3 -5.768 -7.842 4.144 1.00 0.47 O ATOM 5 CB HIS A 3 -4.061 -9.839 5.955 1.00 0.45 C ATOM 6 CG HIS A 3 -2.959 -8.847 6.189 1.00 0.42 C ATOM 7 ND1 HIS A 3 -2.037 -8.329 5.338 1.00 0.47 N flip ATOM 8 CD2 HIS A 3 -2.762 -8.215 7.397 1.00 0.45 C flip ATOM 9 CE1 HIS A 3 -1.320 -7.392 6.042 1.00 0.52 C flip ATOM 10 NE2 HIS A 3 -1.781 -7.342 7.282 1.00 0.51 N flip ATOM 0 HA HIS A 3 -5.689 -9.075 7.124 1.00 0.46 H new ATOM 0 HB2 HIS A 3 -3.972 -10.650 6.678 1.00 0.45 H new ATOM 0 HB3 HIS A 3 -3.942 -10.280 4.965 1.00 0.45 H new ATOM 0 HD2 HIS A 3 -3.324 -8.405 8.299 1.00 0.45 H new ATOM 0 HE1 HIS A 3 -0.512 -6.794 5.648 1.00 0.52 H new ATOM 0 HE2 HIS A 3 -1.436 -6.732 8.023 1.00 0.51 H new ATOM 19 N LYS A 4 -5.221 -6.788 6.040 1.00 0.40 N ATOM 20 CA LYS A 4 -5.072 -5.492 5.394 1.00 0.39 C ATOM 21 C LYS A 4 -4.026 -4.649 6.114 1.00 0.35 C ATOM 22 O LYS A 4 -3.769 -4.843 7.301 1.00 0.43 O ATOM 23 CB LYS A 4 -6.401 -4.739 5.352 1.00 0.54 C ATOM 24 CG LYS A 4 -6.924 -4.326 6.717 1.00 0.90 C ATOM 25 CD LYS A 4 -8.110 -3.388 6.588 1.00 1.13 C ATOM 26 CE LYS A 4 -9.257 -4.031 5.831 1.00 1.92 C ATOM 27 NZ LYS A 4 -10.314 -3.043 5.491 1.00 2.36 N ATOM 0 H LYS A 4 -5.099 -6.775 7.053 1.00 0.40 H new ATOM 0 HA LYS A 4 -4.743 -5.671 4.370 1.00 0.39 H new ATOM 0 HB2 LYS A 4 -6.282 -3.848 4.736 1.00 0.54 H new ATOM 0 HB3 LYS A 4 -7.147 -5.367 4.864 1.00 0.54 H new ATOM 0 HG2 LYS A 4 -7.217 -5.212 7.281 1.00 0.90 H new ATOM 0 HG3 LYS A 4 -6.130 -3.837 7.281 1.00 0.90 H new ATOM 0 HD2 LYS A 4 -8.450 -3.093 7.581 1.00 1.13 H new ATOM 0 HD3 LYS A 4 -7.800 -2.478 6.074 1.00 1.13 H new ATOM 0 HE2 LYS A 4 -8.879 -4.488 4.917 1.00 1.92 H new ATOM 0 HE3 LYS A 4 -9.687 -4.831 6.433 1.00 1.92 H new ATOM 0 HZ1 LYS A 4 -11.081 -3.519 4.974 1.00 2.36 H new ATOM 0 HZ2 LYS A 4 -10.693 -2.625 6.365 1.00 2.36 H new ATOM 0 HZ3 LYS A 4 -9.909 -2.293 4.895 1.00 2.36 H new ATOM 41 N VAL A 5 -3.404 -3.738 5.383 1.00 0.31 N ATOM 42 CA VAL A 5 -2.485 -2.783 5.981 1.00 0.33 C ATOM 43 C VAL A 5 -3.015 -1.360 5.856 1.00 0.27 C ATOM 44 O VAL A 5 -3.526 -0.965 4.820 1.00 0.29 O ATOM 45 CB VAL A 5 -1.056 -2.875 5.383 1.00 0.42 C ATOM 46 CG1 VAL A 5 -0.367 -1.522 5.391 1.00 0.44 C ATOM 47 CG2 VAL A 5 -0.228 -3.873 6.169 1.00 0.49 C ATOM 0 H VAL A 5 -3.519 -3.640 4.374 1.00 0.31 H new ATOM 0 HA VAL A 5 -2.414 -3.045 7.037 1.00 0.33 H new ATOM 0 HB VAL A 5 -1.146 -3.207 4.349 1.00 0.42 H new ATOM 0 HG11 VAL A 5 0.632 -1.620 4.966 1.00 0.44 H new ATOM 0 HG12 VAL A 5 -0.946 -0.815 4.797 1.00 0.44 H new ATOM 0 HG13 VAL A 5 -0.291 -1.158 6.416 1.00 0.44 H new ATOM 0 HG21 VAL A 5 0.773 -3.931 5.742 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -0.161 -3.552 7.209 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -0.700 -4.854 6.122 1.00 0.49 H new ATOM 57 N THR A 6 -2.923 -0.627 6.945 1.00 0.41 N ATOM 58 CA THR A 6 -3.216 0.793 6.975 1.00 0.33 C ATOM 59 C THR A 6 -1.948 1.583 7.320 1.00 0.37 C ATOM 60 O THR A 6 -0.926 0.976 7.647 1.00 0.51 O ATOM 61 CB THR A 6 -4.353 1.097 7.962 1.00 0.36 C ATOM 62 OG1 THR A 6 -4.302 0.171 9.058 1.00 0.51 O ATOM 63 CG2 THR A 6 -5.700 1.002 7.255 1.00 0.36 C ATOM 0 H THR A 6 -2.638 -1.005 7.849 1.00 0.41 H new ATOM 0 HA THR A 6 -3.553 1.104 5.986 1.00 0.33 H new ATOM 0 HB THR A 6 -4.232 2.110 8.346 1.00 0.36 H new ATOM 0 HG1 THR A 6 -5.027 0.368 9.687 1.00 0.51 H new ATOM 0 HG21 THR A 6 -6.499 1.219 7.964 1.00 0.36 H new ATOM 0 HG22 THR A 6 -5.734 1.723 6.438 1.00 0.36 H new ATOM 0 HG23 THR A 6 -5.832 -0.004 6.857 1.00 0.36 H new ATOM 71 N LYS A 7 -2.017 2.913 7.198 1.00 0.30 N ATOM 72 CA LYS A 7 -0.854 3.819 7.312 1.00 0.28 C ATOM 73 C LYS A 7 0.198 3.389 8.348 1.00 0.27 C ATOM 74 O LYS A 7 1.380 3.361 8.024 1.00 0.32 O ATOM 75 CB LYS A 7 -1.333 5.238 7.625 1.00 0.27 C ATOM 76 CG LYS A 7 -0.215 6.270 7.716 1.00 0.28 C ATOM 77 CD LYS A 7 0.749 6.172 6.539 1.00 0.42 C ATOM 78 CE LYS A 7 1.738 7.333 6.521 1.00 0.35 C ATOM 79 NZ LYS A 7 2.479 7.477 7.806 1.00 0.83 N ATOM 0 H LYS A 7 -2.892 3.404 7.015 1.00 0.30 H new ATOM 0 HA LYS A 7 -0.353 3.777 6.345 1.00 0.28 H new ATOM 0 HB2 LYS A 7 -2.038 5.550 6.854 1.00 0.27 H new ATOM 0 HB3 LYS A 7 -1.878 5.225 8.569 1.00 0.27 H new ATOM 0 HG2 LYS A 7 -0.647 7.270 7.749 1.00 0.28 H new ATOM 0 HG3 LYS A 7 0.334 6.129 8.647 1.00 0.28 H new ATOM 0 HD2 LYS A 7 1.295 5.230 6.593 1.00 0.42 H new ATOM 0 HD3 LYS A 7 0.185 6.160 5.607 1.00 0.42 H new ATOM 0 HE2 LYS A 7 2.451 7.185 5.710 1.00 0.35 H new ATOM 0 HE3 LYS A 7 1.202 8.258 6.310 1.00 0.35 H new ATOM 0 HZ1 LYS A 7 3.251 8.164 7.687 1.00 0.83 H new ATOM 0 HZ2 LYS A 7 1.829 7.812 8.546 1.00 0.83 H new ATOM 0 HZ3 LYS A 7 2.875 6.556 8.083 1.00 0.83 H new ATOM 93 N ALA A 8 -0.213 3.063 9.574 1.00 0.25 N ATOM 94 CA ALA A 8 0.744 2.765 10.654 1.00 0.26 C ATOM 95 C ALA A 8 1.717 1.647 10.270 1.00 0.23 C ATOM 96 O ALA A 8 2.893 1.646 10.672 1.00 0.24 O ATOM 97 CB ALA A 8 0.013 2.402 11.933 1.00 0.33 C ATOM 0 H ALA A 8 -1.193 2.997 9.848 1.00 0.25 H new ATOM 0 HA ALA A 8 1.329 3.670 10.820 1.00 0.26 H new ATOM 0 HB1 ALA A 8 0.738 2.186 12.718 1.00 0.33 H new ATOM 0 HB2 ALA A 8 -0.617 3.236 12.241 1.00 0.33 H new ATOM 0 HB3 ALA A 8 -0.608 1.523 11.760 1.00 0.33 H new ATOM 103 N HIS A 9 1.238 0.713 9.459 1.00 0.23 N ATOM 104 CA HIS A 9 2.059 -0.406 9.005 1.00 0.23 C ATOM 105 C HIS A 9 3.211 0.075 8.134 1.00 0.23 C ATOM 106 O HIS A 9 4.027 -0.731 7.683 1.00 0.25 O ATOM 107 CB HIS A 9 1.248 -1.419 8.222 1.00 0.28 C ATOM 108 CG HIS A 9 0.171 -2.102 8.997 1.00 0.89 C ATOM 109 ND1 HIS A 9 -1.135 -1.713 8.921 1.00 0.97 N ATOM 110 CD2 HIS A 9 0.192 -3.205 9.776 1.00 1.63 C ATOM 111 CE1 HIS A 9 -1.885 -2.556 9.603 1.00 1.69 C ATOM 112 NE2 HIS A 9 -1.105 -3.472 10.140 1.00 2.12 N ATOM 0 H HIS A 9 0.283 0.707 9.100 1.00 0.23 H new ATOM 0 HA HIS A 9 2.452 -0.884 9.903 1.00 0.23 H new ATOM 0 HB2 HIS A 9 0.796 -0.917 7.367 1.00 0.28 H new ATOM 0 HB3 HIS A 9 1.925 -2.176 7.826 1.00 0.28 H new ATOM 0 HD2 HIS A 9 1.066 -3.772 10.060 1.00 1.63 H new ATOM 0 HE1 HIS A 9 -2.959 -2.504 9.704 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -1.412 -4.248 10.727 1.00 2.12 H new ATOM 121 N ASN A 10 3.248 1.388 7.882 1.00 0.22 N ATOM 122 CA ASN A 10 4.384 2.050 7.240 1.00 0.24 C ATOM 123 C ASN A 10 5.700 1.564 7.852 1.00 0.24 C ATOM 124 O ASN A 10 6.756 1.634 7.226 1.00 0.26 O ATOM 125 CB ASN A 10 4.250 3.574 7.406 1.00 0.31 C ATOM 126 CG ASN A 10 5.458 4.348 6.914 1.00 0.56 C ATOM 127 OD1 ASN A 10 5.420 4.785 5.668 1.00 1.41 O flip ATOM 128 ND2 ASN A 10 6.405 4.580 7.663 1.00 0.96 N flip ATOM 0 H ASN A 10 2.486 2.023 8.120 1.00 0.22 H new ATOM 0 HA ASN A 10 4.388 1.803 6.178 1.00 0.24 H new ATOM 0 HB2 ASN A 10 3.367 3.913 6.865 1.00 0.31 H new ATOM 0 HB3 ASN A 10 4.087 3.803 8.459 1.00 0.31 H new ATOM 0 HD21 ASN A 10 6.398 4.225 8.619 1.00 0.96 H new ATOM 0 HD22 ASN A 10 7.198 5.127 7.328 1.00 0.96 H new ATOM 135 N GLY A 11 5.608 1.045 9.075 1.00 0.25 N ATOM 136 CA GLY A 11 6.766 0.482 9.739 1.00 0.26 C ATOM 137 C GLY A 11 6.415 -0.804 10.461 1.00 0.25 C ATOM 138 O GLY A 11 6.636 -0.927 11.665 1.00 0.30 O ATOM 0 H GLY A 11 4.745 1.006 9.618 1.00 0.25 H new ATOM 0 HA2 GLY A 11 7.550 0.288 9.007 1.00 0.26 H new ATOM 0 HA3 GLY A 11 7.167 1.204 10.451 1.00 0.26 H new ATOM 142 N ALA A 12 5.845 -1.760 9.731 1.00 0.24 N ATOM 143 CA ALA A 12 5.356 -2.993 10.342 1.00 0.27 C ATOM 144 C ALA A 12 6.049 -4.247 9.808 1.00 0.28 C ATOM 145 O ALA A 12 6.588 -4.262 8.701 1.00 0.31 O ATOM 146 CB ALA A 12 3.863 -3.112 10.111 1.00 0.32 C ATOM 0 H ALA A 12 5.711 -1.705 8.721 1.00 0.24 H new ATOM 0 HA ALA A 12 5.584 -2.930 11.406 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.497 -4.032 10.567 1.00 0.32 H new ATOM 0 HB2 ALA A 12 3.356 -2.258 10.560 1.00 0.32 H new ATOM 0 HB3 ALA A 12 3.661 -3.132 9.040 1.00 0.32 H new ATOM 152 N THR A 13 6.018 -5.296 10.623 1.00 0.39 N ATOM 153 CA THR A 13 6.461 -6.630 10.232 1.00 0.44 C ATOM 154 C THR A 13 5.587 -7.671 10.939 1.00 0.56 C ATOM 155 O THR A 13 5.647 -7.817 12.161 1.00 0.95 O ATOM 156 CB THR A 13 7.944 -6.864 10.582 1.00 0.71 C ATOM 157 OG1 THR A 13 8.759 -5.864 9.948 1.00 0.89 O ATOM 158 CG2 THR A 13 8.401 -8.245 10.133 1.00 0.74 C ATOM 0 H THR A 13 5.681 -5.244 11.584 1.00 0.39 H new ATOM 0 HA THR A 13 6.362 -6.724 9.151 1.00 0.44 H new ATOM 0 HB THR A 13 8.051 -6.797 11.665 1.00 0.71 H new ATOM 0 HG1 THR A 13 9.700 -6.017 10.175 1.00 0.89 H new ATOM 0 HG21 THR A 13 9.451 -8.383 10.392 1.00 0.74 H new ATOM 0 HG22 THR A 13 7.801 -9.007 10.631 1.00 0.74 H new ATOM 0 HG23 THR A 13 8.279 -8.335 9.054 1.00 0.74 H new ATOM 166 N LEU A 14 4.764 -8.377 10.173 1.00 0.39 N ATOM 167 CA LEU A 14 3.743 -9.249 10.741 1.00 0.70 C ATOM 168 C LEU A 14 3.395 -10.404 9.799 1.00 0.35 C ATOM 169 O LEU A 14 3.775 -10.400 8.629 1.00 0.88 O ATOM 170 CB LEU A 14 2.502 -8.411 11.085 1.00 1.51 C ATOM 171 CG LEU A 14 1.929 -7.556 9.950 1.00 2.04 C ATOM 172 CD1 LEU A 14 1.169 -8.420 8.968 1.00 2.43 C ATOM 173 CD2 LEU A 14 1.034 -6.464 10.507 1.00 3.00 C ATOM 0 H LEU A 14 4.784 -8.362 9.153 1.00 0.39 H new ATOM 0 HA LEU A 14 4.133 -9.703 11.652 1.00 0.70 H new ATOM 0 HB2 LEU A 14 1.720 -9.084 11.435 1.00 1.51 H new ATOM 0 HB3 LEU A 14 2.752 -7.753 11.917 1.00 1.51 H new ATOM 0 HG LEU A 14 2.757 -7.084 9.421 1.00 2.04 H new ATOM 0 HD11 LEU A 14 0.769 -7.796 8.169 1.00 2.43 H new ATOM 0 HD12 LEU A 14 1.841 -9.166 8.544 1.00 2.43 H new ATOM 0 HD13 LEU A 14 0.349 -8.921 9.483 1.00 2.43 H new ATOM 0 HD21 LEU A 14 0.636 -5.866 9.687 1.00 3.00 H new ATOM 0 HD22 LEU A 14 0.211 -6.915 11.060 1.00 3.00 H new ATOM 0 HD23 LEU A 14 1.612 -5.825 11.174 1.00 3.00 H new ATOM 185 N THR A 15 2.678 -11.391 10.320 1.00 0.70 N ATOM 186 CA THR A 15 2.246 -12.532 9.526 1.00 0.74 C ATOM 187 C THR A 15 0.771 -12.404 9.171 1.00 0.82 C ATOM 188 O THR A 15 -0.015 -11.846 9.939 1.00 1.21 O ATOM 189 CB THR A 15 2.460 -13.861 10.277 1.00 1.40 C ATOM 190 OG1 THR A 15 3.860 -14.110 10.458 1.00 1.55 O ATOM 191 CG2 THR A 15 1.817 -15.022 9.524 1.00 1.73 C ATOM 0 H THR A 15 2.382 -11.423 11.296 1.00 0.70 H new ATOM 0 HA THR A 15 2.851 -12.538 8.619 1.00 0.74 H new ATOM 0 HB THR A 15 1.984 -13.778 11.254 1.00 1.40 H new ATOM 0 HG1 THR A 15 3.983 -14.956 10.938 1.00 1.55 H new ATOM 0 HG21 THR A 15 1.982 -15.948 10.074 1.00 1.73 H new ATOM 0 HG22 THR A 15 0.746 -14.844 9.426 1.00 1.73 H new ATOM 0 HG23 THR A 15 2.263 -15.104 8.533 1.00 1.73 H new ATOM 199 N VAL A 16 0.406 -12.908 7.998 1.00 0.57 N ATOM 200 CA VAL A 16 -0.968 -12.845 7.535 1.00 0.64 C ATOM 201 C VAL A 16 -1.459 -14.216 7.102 1.00 0.59 C ATOM 202 O VAL A 16 -0.667 -15.136 6.893 1.00 0.59 O ATOM 203 CB VAL A 16 -1.108 -11.864 6.350 1.00 0.64 C ATOM 204 CG1 VAL A 16 -0.249 -10.641 6.593 1.00 0.78 C ATOM 205 CG2 VAL A 16 -0.746 -12.509 5.026 1.00 0.63 C ATOM 0 H VAL A 16 1.048 -13.366 7.351 1.00 0.57 H new ATOM 0 HA VAL A 16 -1.574 -12.491 8.369 1.00 0.64 H new ATOM 0 HB VAL A 16 -2.155 -11.569 6.286 1.00 0.64 H new ATOM 0 HG11 VAL A 16 -0.351 -9.952 5.754 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.571 -10.147 7.510 1.00 0.78 H new ATOM 0 HG13 VAL A 16 0.794 -10.942 6.690 1.00 0.78 H new ATOM 0 HG21 VAL A 16 -0.860 -11.781 4.223 1.00 0.63 H new ATOM 0 HG22 VAL A 16 0.288 -12.853 5.060 1.00 0.63 H new ATOM 0 HG23 VAL A 16 -1.405 -13.357 4.842 1.00 0.63 H new ATOM 215 N ALA A 17 -2.768 -14.345 7.006 1.00 0.63 N ATOM 216 CA ALA A 17 -3.384 -15.483 6.366 1.00 0.60 C ATOM 217 C ALA A 17 -3.989 -15.020 5.052 1.00 0.55 C ATOM 218 O ALA A 17 -4.747 -14.051 5.026 1.00 0.76 O ATOM 219 CB ALA A 17 -4.452 -16.076 7.270 1.00 0.75 C ATOM 0 H ALA A 17 -3.432 -13.662 7.371 1.00 0.63 H new ATOM 0 HA ALA A 17 -2.641 -16.257 6.175 1.00 0.60 H new ATOM 0 HB1 ALA A 17 -4.910 -16.934 6.778 1.00 0.75 H new ATOM 0 HB2 ALA A 17 -3.998 -16.396 8.208 1.00 0.75 H new ATOM 0 HB3 ALA A 17 -5.215 -15.324 7.474 1.00 0.75 H new ATOM 225 N VAL A 18 -3.634 -15.667 3.959 1.00 0.54 N ATOM 226 CA VAL A 18 -4.160 -15.265 2.661 1.00 0.50 C ATOM 227 C VAL A 18 -5.216 -16.240 2.173 1.00 0.49 C ATOM 228 O VAL A 18 -5.694 -17.083 2.935 1.00 0.59 O ATOM 229 CB VAL A 18 -3.051 -15.127 1.600 1.00 0.58 C ATOM 230 CG1 VAL A 18 -2.001 -14.129 2.049 1.00 1.23 C ATOM 231 CG2 VAL A 18 -2.417 -16.468 1.282 1.00 1.12 C ATOM 0 H VAL A 18 -2.994 -16.461 3.938 1.00 0.54 H new ATOM 0 HA VAL A 18 -4.615 -14.285 2.802 1.00 0.50 H new ATOM 0 HB VAL A 18 -3.512 -14.755 0.685 1.00 0.58 H new ATOM 0 HG11 VAL A 18 -1.227 -14.047 1.286 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -2.466 -13.155 2.201 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -1.554 -14.467 2.984 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -1.639 -16.334 0.530 1.00 1.12 H new ATOM 0 HG22 VAL A 18 -1.978 -16.887 2.188 1.00 1.12 H new ATOM 0 HG23 VAL A 18 -3.178 -17.149 0.899 1.00 1.12 H new ATOM 241 N GLY A 19 -5.587 -16.108 0.908 1.00 0.52 N ATOM 242 CA GLY A 19 -6.618 -16.950 0.342 1.00 0.55 C ATOM 243 C GLY A 19 -7.843 -16.150 -0.024 1.00 0.59 C ATOM 244 O GLY A 19 -8.313 -16.207 -1.158 1.00 0.71 O ATOM 0 H GLY A 19 -5.189 -15.428 0.261 1.00 0.52 H new ATOM 0 HA2 GLY A 19 -6.232 -17.454 -0.544 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -6.889 -17.726 1.057 1.00 0.55 H new ATOM 248 N GLU A 20 -8.350 -15.395 0.939 1.00 0.57 N ATOM 249 CA GLU A 20 -9.472 -14.508 0.700 1.00 0.64 C ATOM 250 C GLU A 20 -8.994 -13.253 -0.024 1.00 0.50 C ATOM 251 O GLU A 20 -9.234 -13.076 -1.220 1.00 0.50 O ATOM 252 CB GLU A 20 -10.136 -14.124 2.026 1.00 0.76 C ATOM 253 CG GLU A 20 -10.564 -15.313 2.870 1.00 0.96 C ATOM 254 CD GLU A 20 -11.625 -16.156 2.197 1.00 1.55 C ATOM 255 OE1 GLU A 20 -12.809 -15.766 2.224 1.00 1.75 O ATOM 256 OE2 GLU A 20 -11.285 -17.212 1.629 1.00 2.35 O ATOM 0 H GLU A 20 -7.998 -15.381 1.896 1.00 0.57 H new ATOM 0 HA GLU A 20 -10.203 -15.024 0.078 1.00 0.64 H new ATOM 0 HB2 GLU A 20 -9.443 -13.512 2.604 1.00 0.76 H new ATOM 0 HB3 GLU A 20 -11.009 -13.506 1.818 1.00 0.76 H new ATOM 0 HG2 GLU A 20 -9.694 -15.934 3.083 1.00 0.96 H new ATOM 0 HG3 GLU A 20 -10.943 -14.956 3.828 1.00 0.96 H new ATOM 263 N LEU A 21 -8.305 -12.395 0.716 1.00 0.45 N ATOM 264 CA LEU A 21 -7.716 -11.184 0.165 1.00 0.32 C ATOM 265 C LEU A 21 -6.723 -10.603 1.158 1.00 0.38 C ATOM 266 O LEU A 21 -6.987 -10.574 2.365 1.00 0.64 O ATOM 267 CB LEU A 21 -8.802 -10.148 -0.151 1.00 0.39 C ATOM 268 CG LEU A 21 -8.299 -8.793 -0.666 1.00 0.44 C ATOM 269 CD1 LEU A 21 -7.484 -8.955 -1.944 1.00 0.56 C ATOM 270 CD2 LEU A 21 -9.469 -7.852 -0.899 1.00 0.71 C ATOM 0 H LEU A 21 -8.139 -12.520 1.715 1.00 0.45 H new ATOM 0 HA LEU A 21 -7.201 -11.437 -0.762 1.00 0.32 H new ATOM 0 HB2 LEU A 21 -9.476 -10.571 -0.895 1.00 0.39 H new ATOM 0 HB3 LEU A 21 -9.389 -9.978 0.751 1.00 0.39 H new ATOM 0 HG LEU A 21 -7.646 -8.364 0.094 1.00 0.44 H new ATOM 0 HD11 LEU A 21 -7.142 -7.977 -2.284 1.00 0.56 H new ATOM 0 HD12 LEU A 21 -6.622 -9.593 -1.748 1.00 0.56 H new ATOM 0 HD13 LEU A 21 -8.104 -9.411 -2.716 1.00 0.56 H new ATOM 0 HD21 LEU A 21 -9.098 -6.894 -1.264 1.00 0.71 H new ATOM 0 HD22 LEU A 21 -10.143 -8.286 -1.637 1.00 0.71 H new ATOM 0 HD23 LEU A 21 -10.006 -7.700 0.037 1.00 0.71 H new ATOM 282 N VAL A 22 -5.574 -10.163 0.664 1.00 0.27 N ATOM 283 CA VAL A 22 -4.620 -9.473 1.510 1.00 0.28 C ATOM 284 C VAL A 22 -4.429 -8.044 1.008 1.00 0.30 C ATOM 285 O VAL A 22 -3.931 -7.804 -0.088 1.00 0.37 O ATOM 286 CB VAL A 22 -3.277 -10.248 1.635 1.00 0.28 C ATOM 287 CG1 VAL A 22 -2.091 -9.309 1.804 1.00 0.40 C ATOM 288 CG2 VAL A 22 -3.354 -11.196 2.817 1.00 0.38 C ATOM 0 H VAL A 22 -5.285 -10.271 -0.308 1.00 0.27 H new ATOM 0 HA VAL A 22 -5.022 -9.427 2.522 1.00 0.28 H new ATOM 0 HB VAL A 22 -3.123 -10.807 0.712 1.00 0.28 H new ATOM 0 HG11 VAL A 22 -1.174 -9.892 1.887 1.00 0.40 H new ATOM 0 HG12 VAL A 22 -2.024 -8.649 0.939 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -2.225 -8.713 2.706 1.00 0.40 H new ATOM 0 HG21 VAL A 22 -2.415 -11.741 2.908 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -3.533 -10.627 3.729 1.00 0.38 H new ATOM 0 HG23 VAL A 22 -4.170 -11.902 2.664 1.00 0.38 H new ATOM 298 N GLU A 23 -4.850 -7.091 1.813 1.00 0.29 N ATOM 299 CA GLU A 23 -4.891 -5.713 1.377 1.00 0.36 C ATOM 300 C GLU A 23 -3.746 -4.902 1.935 1.00 0.27 C ATOM 301 O GLU A 23 -3.159 -5.223 2.970 1.00 0.37 O ATOM 302 CB GLU A 23 -6.172 -5.023 1.827 1.00 0.58 C ATOM 303 CG GLU A 23 -7.460 -5.662 1.349 1.00 0.96 C ATOM 304 CD GLU A 23 -8.672 -4.929 1.888 1.00 0.99 C ATOM 305 OE1 GLU A 23 -9.130 -3.972 1.243 1.00 1.06 O ATOM 306 OE2 GLU A 23 -9.187 -5.321 2.953 1.00 1.09 O ATOM 0 H GLU A 23 -5.168 -7.245 2.770 1.00 0.29 H new ATOM 0 HA GLU A 23 -4.830 -5.755 0.290 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -6.184 -4.993 2.917 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -6.149 -3.990 1.480 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -7.486 -5.661 0.259 1.00 0.96 H new ATOM 0 HG3 GLU A 23 -7.491 -6.704 1.667 1.00 0.96 H new ATOM 313 N ILE A 24 -3.469 -3.838 1.224 1.00 0.25 N ATOM 314 CA ILE A 24 -2.620 -2.764 1.677 1.00 0.24 C ATOM 315 C ILE A 24 -3.352 -1.476 1.346 1.00 0.29 C ATOM 316 O ILE A 24 -3.915 -1.354 0.261 1.00 0.54 O ATOM 317 CB ILE A 24 -1.243 -2.762 0.972 1.00 0.27 C ATOM 318 CG1 ILE A 24 -0.515 -4.095 1.175 1.00 0.26 C ATOM 319 CG2 ILE A 24 -0.392 -1.608 1.477 1.00 0.32 C ATOM 320 CD1 ILE A 24 -0.138 -4.369 2.613 1.00 0.27 C ATOM 0 H ILE A 24 -3.839 -3.690 0.285 1.00 0.25 H new ATOM 0 HA ILE A 24 -2.425 -2.877 2.743 1.00 0.24 H new ATOM 0 HB ILE A 24 -1.411 -2.632 -0.097 1.00 0.27 H new ATOM 0 HG12 ILE A 24 -1.150 -4.904 0.815 1.00 0.26 H new ATOM 0 HG13 ILE A 24 0.388 -4.102 0.564 1.00 0.26 H new ATOM 0 HG21 ILE A 24 0.574 -1.620 0.972 1.00 0.32 H new ATOM 0 HG22 ILE A 24 -0.898 -0.665 1.270 1.00 0.32 H new ATOM 0 HG23 ILE A 24 -0.241 -1.711 2.552 1.00 0.32 H new ATOM 0 HD11 ILE A 24 0.373 -5.329 2.678 1.00 0.27 H new ATOM 0 HD12 ILE A 24 0.523 -3.581 2.972 1.00 0.27 H new ATOM 0 HD13 ILE A 24 -1.038 -4.395 3.227 1.00 0.27 H new ATOM 332 N GLN A 25 -3.423 -0.548 2.266 1.00 0.21 N ATOM 333 CA GLN A 25 -4.088 0.700 1.989 1.00 0.22 C ATOM 334 C GLN A 25 -3.426 1.851 2.703 1.00 0.20 C ATOM 335 O GLN A 25 -3.083 1.767 3.880 1.00 0.23 O ATOM 336 CB GLN A 25 -5.570 0.616 2.353 1.00 0.27 C ATOM 337 CG GLN A 25 -6.244 1.969 2.462 1.00 0.29 C ATOM 338 CD GLN A 25 -6.620 2.342 3.888 1.00 0.36 C ATOM 339 OE1 GLN A 25 -5.717 3.007 4.590 1.00 0.64 O flip ATOM 340 NE2 GLN A 25 -7.719 2.031 4.349 1.00 0.30 N flip ATOM 0 H GLN A 25 -3.033 -0.631 3.205 1.00 0.21 H new ATOM 0 HA GLN A 25 -4.006 0.887 0.918 1.00 0.22 H new ATOM 0 HB2 GLN A 25 -6.087 0.021 1.601 1.00 0.27 H new ATOM 0 HB3 GLN A 25 -5.674 0.090 3.302 1.00 0.27 H new ATOM 0 HG2 GLN A 25 -5.579 2.732 2.058 1.00 0.29 H new ATOM 0 HG3 GLN A 25 -7.142 1.970 1.845 1.00 0.29 H new ATOM 0 HE21 GLN A 25 -8.387 1.518 3.773 1.00 0.30 H new ATOM 0 HE22 GLN A 25 -7.961 2.287 5.306 1.00 0.30 H new ATOM 349 N LEU A 26 -3.256 2.927 1.973 1.00 0.19 N ATOM 350 CA LEU A 26 -2.742 4.140 2.533 1.00 0.18 C ATOM 351 C LEU A 26 -3.856 5.166 2.593 1.00 0.22 C ATOM 352 O LEU A 26 -4.813 5.090 1.833 1.00 0.31 O ATOM 353 CB LEU A 26 -1.560 4.679 1.718 1.00 0.22 C ATOM 354 CG LEU A 26 -0.187 4.106 2.073 1.00 0.28 C ATOM 355 CD1 LEU A 26 0.127 4.316 3.547 1.00 0.77 C ATOM 356 CD2 LEU A 26 -0.103 2.634 1.708 1.00 0.85 C ATOM 0 H LEU A 26 -3.471 2.980 0.977 1.00 0.19 H new ATOM 0 HA LEU A 26 -2.374 3.934 3.538 1.00 0.18 H new ATOM 0 HB2 LEU A 26 -1.752 4.484 0.663 1.00 0.22 H new ATOM 0 HB3 LEU A 26 -1.523 5.762 1.840 1.00 0.22 H new ATOM 0 HG LEU A 26 0.561 4.643 1.489 1.00 0.28 H new ATOM 0 HD11 LEU A 26 1.109 3.899 3.773 1.00 0.77 H new ATOM 0 HD12 LEU A 26 0.125 5.383 3.771 1.00 0.77 H new ATOM 0 HD13 LEU A 26 -0.628 3.816 4.155 1.00 0.77 H new ATOM 0 HD21 LEU A 26 0.883 2.250 1.970 1.00 0.85 H new ATOM 0 HD22 LEU A 26 -0.866 2.079 2.255 1.00 0.85 H new ATOM 0 HD23 LEU A 26 -0.266 2.515 0.637 1.00 0.85 H new ATOM 368 N PRO A 27 -3.772 6.111 3.519 1.00 0.21 N ATOM 369 CA PRO A 27 -4.737 7.196 3.633 1.00 0.25 C ATOM 370 C PRO A 27 -4.313 8.404 2.818 1.00 0.26 C ATOM 371 O PRO A 27 -4.870 9.487 2.970 1.00 0.35 O ATOM 372 CB PRO A 27 -4.669 7.520 5.112 1.00 0.27 C ATOM 373 CG PRO A 27 -3.229 7.324 5.440 1.00 0.25 C ATOM 374 CD PRO A 27 -2.745 6.197 4.567 1.00 0.22 C ATOM 0 HA PRO A 27 -5.730 6.930 3.270 1.00 0.25 H new ATOM 0 HB2 PRO A 27 -4.993 8.541 5.315 1.00 0.27 H new ATOM 0 HB3 PRO A 27 -5.309 6.860 5.698 1.00 0.27 H new ATOM 0 HG2 PRO A 27 -2.660 8.234 5.251 1.00 0.25 H new ATOM 0 HG3 PRO A 27 -3.100 7.081 6.495 1.00 0.25 H new ATOM 0 HD2 PRO A 27 -1.761 6.407 4.148 1.00 0.22 H new ATOM 0 HD3 PRO A 27 -2.661 5.264 5.125 1.00 0.22 H new ATOM 382 N SER A 28 -3.302 8.199 1.976 1.00 0.22 N ATOM 383 CA SER A 28 -2.719 9.256 1.155 1.00 0.25 C ATOM 384 C SER A 28 -1.952 10.260 2.011 1.00 0.25 C ATOM 385 O SER A 28 -0.738 10.405 1.868 1.00 0.31 O ATOM 386 CB SER A 28 -3.800 9.956 0.310 1.00 0.35 C ATOM 387 OG SER A 28 -3.230 10.898 -0.578 1.00 0.91 O ATOM 0 H SER A 28 -2.862 7.288 1.844 1.00 0.22 H new ATOM 0 HA SER A 28 -2.007 8.794 0.471 1.00 0.25 H new ATOM 0 HB2 SER A 28 -4.360 9.212 -0.257 1.00 0.35 H new ATOM 0 HB3 SER A 28 -4.511 10.457 0.968 1.00 0.35 H new ATOM 0 HG SER A 28 -2.686 10.431 -1.246 1.00 0.91 H new ATOM 393 N ASN A 29 -2.648 10.885 2.939 1.00 0.29 N ATOM 394 CA ASN A 29 -2.092 11.974 3.745 1.00 0.36 C ATOM 395 C ASN A 29 -1.499 13.032 2.815 1.00 0.42 C ATOM 396 O ASN A 29 -0.317 13.371 2.923 1.00 0.48 O ATOM 397 CB ASN A 29 -0.996 11.491 4.710 1.00 0.42 C ATOM 398 CG ASN A 29 -1.161 10.071 5.208 1.00 0.60 C ATOM 399 OD1 ASN A 29 -1.894 9.819 6.163 1.00 1.39 O ATOM 400 ND2 ASN A 29 -0.423 9.147 4.610 1.00 0.39 N ATOM 0 H ASN A 29 -3.617 10.658 3.162 1.00 0.29 H new ATOM 0 HA ASN A 29 -2.904 12.386 4.344 1.00 0.36 H new ATOM 0 HB2 ASN A 29 -0.031 11.575 4.211 1.00 0.42 H new ATOM 0 HB3 ASN A 29 -0.969 12.161 5.570 1.00 0.42 H new ATOM 0 HD21 ASN A 29 -0.449 8.182 4.939 1.00 0.39 H new ATOM 0 HD22 ASN A 29 0.171 9.401 3.821 1.00 0.39 H new ATOM 407 N PRO A 30 -2.330 13.565 1.898 1.00 0.55 N ATOM 408 CA PRO A 30 -1.882 14.401 0.776 1.00 0.66 C ATOM 409 C PRO A 30 -0.954 15.524 1.190 1.00 0.72 C ATOM 410 O PRO A 30 -1.354 16.470 1.875 1.00 0.82 O ATOM 411 CB PRO A 30 -3.189 14.950 0.209 1.00 0.83 C ATOM 412 CG PRO A 30 -4.169 13.887 0.528 1.00 0.82 C ATOM 413 CD PRO A 30 -3.788 13.409 1.892 1.00 0.75 C ATOM 0 HA PRO A 30 -1.292 13.829 0.060 1.00 0.66 H new ATOM 0 HB2 PRO A 30 -3.461 15.900 0.670 1.00 0.83 H new ATOM 0 HB3 PRO A 30 -3.120 15.125 -0.865 1.00 0.83 H new ATOM 0 HG2 PRO A 30 -5.188 14.273 0.515 1.00 0.82 H new ATOM 0 HG3 PRO A 30 -4.125 13.078 -0.201 1.00 0.82 H new ATOM 0 HD2 PRO A 30 -4.261 14.002 2.675 1.00 0.75 H new ATOM 0 HD3 PRO A 30 -4.084 12.373 2.054 1.00 0.75 H new ATOM 421 N THR A 31 0.291 15.389 0.781 1.00 0.73 N ATOM 422 CA THR A 31 1.306 16.378 1.069 1.00 0.84 C ATOM 423 C THR A 31 1.293 17.452 -0.020 1.00 1.10 C ATOM 424 O THR A 31 1.437 18.646 0.258 1.00 1.83 O ATOM 425 CB THR A 31 2.701 15.711 1.157 1.00 0.96 C ATOM 426 OG1 THR A 31 3.235 15.481 -0.154 1.00 1.60 O ATOM 427 CG2 THR A 31 2.605 14.371 1.881 1.00 0.81 C ATOM 0 H THR A 31 0.626 14.591 0.241 1.00 0.73 H new ATOM 0 HA THR A 31 1.092 16.843 2.031 1.00 0.84 H new ATOM 0 HB THR A 31 3.357 16.385 1.708 1.00 0.96 H new ATOM 0 HG1 THR A 31 4.117 15.061 -0.079 1.00 1.60 H new ATOM 0 HG21 THR A 31 3.593 13.915 1.935 1.00 0.81 H new ATOM 0 HG22 THR A 31 2.223 14.529 2.890 1.00 0.81 H new ATOM 0 HG23 THR A 31 1.930 13.711 1.337 1.00 0.81 H new ATOM 435 N THR A 32 1.090 16.993 -1.256 1.00 1.19 N ATOM 436 CA THR A 32 0.994 17.841 -2.436 1.00 1.43 C ATOM 437 C THR A 32 0.862 16.935 -3.676 1.00 1.47 C ATOM 438 O THR A 32 0.096 15.972 -3.643 1.00 2.05 O ATOM 439 CB THR A 32 2.205 18.819 -2.548 1.00 1.62 C ATOM 440 OG1 THR A 32 2.111 19.624 -3.733 1.00 2.36 O ATOM 441 CG2 THR A 32 3.533 18.085 -2.544 1.00 1.32 C ATOM 0 H THR A 32 0.986 16.000 -1.465 1.00 1.19 H new ATOM 0 HA THR A 32 0.111 18.475 -2.359 1.00 1.43 H new ATOM 0 HB THR A 32 2.165 19.462 -1.669 1.00 1.62 H new ATOM 0 HG1 THR A 32 2.880 20.229 -3.779 1.00 2.36 H new ATOM 0 HG21 THR A 32 4.347 18.805 -2.624 1.00 1.32 H new ATOM 0 HG22 THR A 32 3.635 17.523 -1.616 1.00 1.32 H new ATOM 0 HG23 THR A 32 3.572 17.399 -3.390 1.00 1.32 H new ATOM 449 N GLY A 33 1.592 17.228 -4.751 1.00 1.30 N ATOM 450 CA GLY A 33 1.527 16.419 -5.964 1.00 1.26 C ATOM 451 C GLY A 33 1.880 14.957 -5.740 1.00 1.01 C ATOM 452 O GLY A 33 1.370 14.080 -6.441 1.00 1.27 O ATOM 0 H GLY A 33 2.234 18.019 -4.805 1.00 1.30 H new ATOM 0 HA2 GLY A 33 0.521 16.482 -6.379 1.00 1.26 H new ATOM 0 HA3 GLY A 33 2.205 16.838 -6.707 1.00 1.26 H new ATOM 456 N PHE A 34 2.792 14.701 -4.804 1.00 0.86 N ATOM 457 CA PHE A 34 3.156 13.342 -4.420 1.00 0.88 C ATOM 458 C PHE A 34 1.923 12.497 -4.066 1.00 0.79 C ATOM 459 O PHE A 34 0.927 13.013 -3.559 1.00 1.11 O ATOM 460 CB PHE A 34 4.099 13.365 -3.216 1.00 1.25 C ATOM 461 CG PHE A 34 5.300 14.250 -3.359 1.00 1.50 C ATOM 462 CD1 PHE A 34 6.357 13.886 -4.165 1.00 1.69 C ATOM 463 CD2 PHE A 34 5.371 15.445 -2.670 1.00 1.95 C ATOM 464 CE1 PHE A 34 7.462 14.696 -4.285 1.00 1.94 C ATOM 465 CE2 PHE A 34 6.476 16.261 -2.783 1.00 2.22 C ATOM 466 CZ PHE A 34 7.522 15.885 -3.593 1.00 2.08 C ATOM 0 H PHE A 34 3.296 15.426 -4.294 1.00 0.86 H new ATOM 0 HA PHE A 34 3.652 12.890 -5.279 1.00 0.88 H new ATOM 0 HB2 PHE A 34 3.535 13.685 -2.340 1.00 1.25 H new ATOM 0 HB3 PHE A 34 4.439 12.348 -3.022 1.00 1.25 H new ATOM 0 HD1 PHE A 34 6.317 12.954 -4.709 1.00 1.69 H new ATOM 0 HD2 PHE A 34 4.550 15.744 -2.035 1.00 1.95 H new ATOM 0 HE1 PHE A 34 8.282 14.400 -4.922 1.00 1.94 H new ATOM 0 HE2 PHE A 34 6.520 17.192 -2.238 1.00 2.22 H new ATOM 0 HZ PHE A 34 8.389 16.522 -3.686 1.00 2.08 H new ATOM 476 N ALA A 35 2.020 11.200 -4.331 1.00 0.44 N ATOM 477 CA ALA A 35 0.964 10.244 -4.021 1.00 0.37 C ATOM 478 C ALA A 35 1.567 8.851 -3.830 1.00 0.30 C ATOM 479 O ALA A 35 2.696 8.602 -4.275 1.00 0.30 O ATOM 480 CB ALA A 35 -0.060 10.218 -5.143 1.00 0.44 C ATOM 0 H ALA A 35 2.839 10.779 -4.770 1.00 0.44 H new ATOM 0 HA ALA A 35 0.468 10.547 -3.099 1.00 0.37 H new ATOM 0 HB1 ALA A 35 -0.845 9.501 -4.903 1.00 0.44 H new ATOM 0 HB2 ALA A 35 -0.497 11.210 -5.259 1.00 0.44 H new ATOM 0 HB3 ALA A 35 0.427 9.925 -6.073 1.00 0.44 H new ATOM 486 N TRP A 36 0.826 7.948 -3.180 1.00 0.26 N ATOM 487 CA TRP A 36 1.346 6.612 -2.872 1.00 0.21 C ATOM 488 C TRP A 36 1.208 5.657 -4.056 1.00 0.27 C ATOM 489 O TRP A 36 0.106 5.391 -4.534 1.00 0.43 O ATOM 490 CB TRP A 36 0.636 5.969 -1.673 1.00 0.20 C ATOM 491 CG TRP A 36 0.789 6.669 -0.360 1.00 0.18 C ATOM 492 CD1 TRP A 36 -0.093 7.523 0.234 1.00 0.22 C ATOM 493 CD2 TRP A 36 1.879 6.527 0.547 1.00 0.15 C ATOM 494 NE1 TRP A 36 0.382 7.909 1.459 1.00 0.21 N ATOM 495 CE2 TRP A 36 1.592 7.313 1.673 1.00 0.17 C ATOM 496 CE3 TRP A 36 3.069 5.807 0.510 1.00 0.13 C ATOM 497 CZ2 TRP A 36 2.448 7.396 2.757 1.00 0.16 C ATOM 498 CZ3 TRP A 36 3.926 5.891 1.581 1.00 0.13 C ATOM 499 CH2 TRP A 36 3.613 6.676 2.700 1.00 0.14 C ATOM 0 H TRP A 36 -0.128 8.115 -2.859 1.00 0.26 H new ATOM 0 HA TRP A 36 2.399 6.766 -2.635 1.00 0.21 H new ATOM 0 HB2 TRP A 36 -0.427 5.899 -1.902 1.00 0.20 H new ATOM 0 HB3 TRP A 36 1.006 4.950 -1.563 1.00 0.20 H new ATOM 0 HD1 TRP A 36 -1.028 7.847 -0.198 1.00 0.22 H new ATOM 0 HE1 TRP A 36 -0.091 8.539 2.107 1.00 0.21 H new ATOM 0 HE3 TRP A 36 3.315 5.194 -0.344 1.00 0.13 H new ATOM 0 HZ2 TRP A 36 2.207 8.005 3.616 1.00 0.16 H new ATOM 0 HZ3 TRP A 36 4.856 5.343 1.561 1.00 0.13 H new ATOM 0 HH2 TRP A 36 4.302 6.714 3.531 1.00 0.14 H new ATOM 510 N TYR A 37 2.338 5.138 -4.510 1.00 0.27 N ATOM 511 CA TYR A 37 2.377 4.052 -5.480 1.00 0.34 C ATOM 512 C TYR A 37 3.705 3.312 -5.348 1.00 0.39 C ATOM 513 O TYR A 37 4.703 3.931 -5.013 1.00 0.78 O ATOM 514 CB TYR A 37 2.147 4.567 -6.907 1.00 0.53 C ATOM 515 CG TYR A 37 2.808 5.886 -7.200 1.00 0.61 C ATOM 516 CD1 TYR A 37 4.170 6.019 -7.057 1.00 1.42 C ATOM 517 CD2 TYR A 37 2.083 6.993 -7.633 1.00 0.90 C ATOM 518 CE1 TYR A 37 4.795 7.197 -7.328 1.00 2.10 C ATOM 519 CE2 TYR A 37 2.713 8.179 -7.916 1.00 1.47 C ATOM 520 CZ TYR A 37 4.072 8.269 -7.760 1.00 2.04 C ATOM 521 OH TYR A 37 4.715 9.429 -8.050 1.00 2.78 O ATOM 0 H TYR A 37 3.260 5.459 -4.215 1.00 0.27 H new ATOM 0 HA TYR A 37 1.566 3.354 -5.272 1.00 0.34 H new ATOM 0 HB2 TYR A 37 2.516 3.823 -7.614 1.00 0.53 H new ATOM 0 HB3 TYR A 37 1.075 4.665 -7.078 1.00 0.53 H new ATOM 0 HD1 TYR A 37 4.753 5.173 -6.724 1.00 1.42 H new ATOM 0 HD2 TYR A 37 1.012 6.917 -7.748 1.00 0.90 H new ATOM 0 HE1 TYR A 37 5.864 7.283 -7.201 1.00 2.10 H new ATOM 0 HE2 TYR A 37 2.145 9.031 -8.258 1.00 1.47 H new ATOM 0 HH TYR A 37 5.401 9.262 -8.730 1.00 2.78 H new ATOM 531 N PHE A 38 3.710 1.996 -5.605 1.00 0.26 N ATOM 532 CA PHE A 38 4.880 1.144 -5.327 1.00 0.25 C ATOM 533 C PHE A 38 6.193 1.816 -5.695 1.00 0.32 C ATOM 534 O PHE A 38 6.987 2.144 -4.822 1.00 0.38 O ATOM 535 CB PHE A 38 4.801 -0.177 -6.074 1.00 0.27 C ATOM 536 CG PHE A 38 4.563 -1.371 -5.193 1.00 0.26 C ATOM 537 CD1 PHE A 38 5.603 -1.943 -4.483 1.00 0.33 C ATOM 538 CD2 PHE A 38 3.296 -1.923 -5.080 1.00 0.33 C ATOM 539 CE1 PHE A 38 5.387 -3.043 -3.678 1.00 0.41 C ATOM 540 CE2 PHE A 38 3.073 -3.025 -4.277 1.00 0.41 C ATOM 541 CZ PHE A 38 4.126 -3.568 -3.548 1.00 0.43 C ATOM 0 H PHE A 38 2.916 1.496 -6.006 1.00 0.26 H new ATOM 0 HA PHE A 38 4.859 0.968 -4.251 1.00 0.25 H new ATOM 0 HB2 PHE A 38 3.999 -0.118 -6.810 1.00 0.27 H new ATOM 0 HB3 PHE A 38 5.730 -0.326 -6.625 1.00 0.27 H new ATOM 0 HD1 PHE A 38 6.595 -1.524 -4.559 1.00 0.33 H new ATOM 0 HD2 PHE A 38 2.473 -1.486 -5.626 1.00 0.33 H new ATOM 0 HE1 PHE A 38 6.214 -3.492 -3.148 1.00 0.41 H new ATOM 0 HE2 PHE A 38 2.087 -3.462 -4.216 1.00 0.41 H new ATOM 0 HZ PHE A 38 3.952 -4.400 -2.882 1.00 0.43 H new ATOM 551 N GLU A 39 6.427 2.003 -6.983 1.00 0.40 N ATOM 552 CA GLU A 39 7.634 2.682 -7.424 1.00 0.51 C ATOM 553 C GLU A 39 7.361 3.621 -8.594 1.00 0.51 C ATOM 554 O GLU A 39 8.282 4.013 -9.309 1.00 0.61 O ATOM 555 CB GLU A 39 8.727 1.671 -7.780 1.00 0.61 C ATOM 556 CG GLU A 39 8.281 0.577 -8.734 1.00 1.11 C ATOM 557 CD GLU A 39 9.418 -0.351 -9.104 1.00 1.75 C ATOM 558 OE1 GLU A 39 9.701 -1.285 -8.328 1.00 2.19 O ATOM 559 OE2 GLU A 39 10.030 -0.155 -10.178 1.00 2.39 O ATOM 0 H GLU A 39 5.806 1.699 -7.733 1.00 0.40 H new ATOM 0 HA GLU A 39 7.987 3.293 -6.593 1.00 0.51 H new ATOM 0 HB2 GLU A 39 9.567 2.204 -8.225 1.00 0.61 H new ATOM 0 HB3 GLU A 39 9.092 1.210 -6.862 1.00 0.61 H new ATOM 0 HG2 GLU A 39 7.478 0.001 -8.275 1.00 1.11 H new ATOM 0 HG3 GLU A 39 7.873 1.029 -9.638 1.00 1.11 H new ATOM 566 N GLY A 40 6.094 3.969 -8.801 1.00 0.51 N ATOM 567 CA GLY A 40 5.780 5.024 -9.756 1.00 0.55 C ATOM 568 C GLY A 40 4.801 4.589 -10.816 1.00 0.56 C ATOM 569 O GLY A 40 5.205 4.152 -11.894 1.00 0.73 O ATOM 0 H GLY A 40 5.290 3.549 -8.335 1.00 0.51 H new ATOM 0 HA2 GLY A 40 5.370 5.880 -9.221 1.00 0.55 H new ATOM 0 HA3 GLY A 40 6.700 5.358 -10.235 1.00 0.55 H new ATOM 573 N GLY A 41 3.508 4.694 -10.510 1.00 0.55 N ATOM 574 CA GLY A 41 2.481 4.242 -11.440 1.00 0.70 C ATOM 575 C GLY A 41 2.636 2.772 -11.799 1.00 0.61 C ATOM 576 O GLY A 41 2.002 2.271 -12.727 1.00 0.70 O ATOM 0 H GLY A 41 3.153 5.083 -9.637 1.00 0.55 H new ATOM 0 HA2 GLY A 41 1.497 4.405 -10.999 1.00 0.70 H new ATOM 0 HA3 GLY A 41 2.526 4.843 -12.348 1.00 0.70 H new ATOM 580 N THR A 42 3.483 2.093 -11.044 1.00 0.53 N ATOM 581 CA THR A 42 3.822 0.706 -11.290 1.00 0.51 C ATOM 582 C THR A 42 3.792 -0.039 -9.966 1.00 0.43 C ATOM 583 O THR A 42 4.229 0.500 -8.945 1.00 0.44 O ATOM 584 CB THR A 42 5.226 0.580 -11.915 1.00 0.67 C ATOM 585 OG1 THR A 42 5.394 1.557 -12.955 1.00 1.13 O ATOM 586 CG2 THR A 42 5.445 -0.812 -12.487 1.00 0.92 C ATOM 0 H THR A 42 3.958 2.495 -10.236 1.00 0.53 H new ATOM 0 HA THR A 42 3.100 0.283 -11.989 1.00 0.51 H new ATOM 0 HB THR A 42 5.961 0.754 -11.129 1.00 0.67 H new ATOM 0 HG1 THR A 42 5.420 2.454 -12.560 1.00 1.13 H new ATOM 0 HG21 THR A 42 6.443 -0.874 -12.922 1.00 0.92 H new ATOM 0 HG22 THR A 42 5.349 -1.551 -11.692 1.00 0.92 H new ATOM 0 HG23 THR A 42 4.700 -1.010 -13.258 1.00 0.92 H new ATOM 594 N LYS A 43 3.262 -1.248 -9.979 1.00 0.49 N ATOM 595 CA LYS A 43 3.043 -1.999 -8.762 1.00 0.46 C ATOM 596 C LYS A 43 3.349 -3.484 -8.984 1.00 0.55 C ATOM 597 O LYS A 43 3.099 -4.017 -10.064 1.00 0.75 O ATOM 598 CB LYS A 43 1.601 -1.752 -8.285 1.00 0.58 C ATOM 599 CG LYS A 43 0.663 -2.957 -8.369 1.00 1.15 C ATOM 600 CD LYS A 43 0.254 -3.255 -9.809 1.00 1.41 C ATOM 601 CE LYS A 43 -0.473 -4.584 -9.922 1.00 1.96 C ATOM 602 NZ LYS A 43 -0.665 -4.998 -11.338 1.00 2.52 N ATOM 0 H LYS A 43 2.974 -1.733 -10.829 1.00 0.49 H new ATOM 0 HA LYS A 43 3.722 -1.663 -7.978 1.00 0.46 H new ATOM 0 HB2 LYS A 43 1.633 -1.410 -7.250 1.00 0.58 H new ATOM 0 HB3 LYS A 43 1.176 -0.941 -8.876 1.00 0.58 H new ATOM 0 HG2 LYS A 43 1.155 -3.831 -7.942 1.00 1.15 H new ATOM 0 HG3 LYS A 43 -0.227 -2.767 -7.770 1.00 1.15 H new ATOM 0 HD2 LYS A 43 -0.389 -2.456 -10.178 1.00 1.41 H new ATOM 0 HD3 LYS A 43 1.140 -3.270 -10.444 1.00 1.41 H new ATOM 0 HE2 LYS A 43 0.092 -5.352 -9.394 1.00 1.96 H new ATOM 0 HE3 LYS A 43 -1.444 -4.509 -9.432 1.00 1.96 H new ATOM 0 HZ1 LYS A 43 -1.165 -5.910 -11.368 1.00 2.52 H new ATOM 0 HZ2 LYS A 43 -1.226 -4.279 -11.837 1.00 2.52 H new ATOM 0 HZ3 LYS A 43 0.262 -5.096 -11.800 1.00 2.52 H new ATOM 616 N GLU A 44 3.937 -4.133 -7.989 1.00 0.48 N ATOM 617 CA GLU A 44 4.241 -5.557 -8.095 1.00 0.60 C ATOM 618 C GLU A 44 3.956 -6.290 -6.784 1.00 0.49 C ATOM 619 O GLU A 44 3.989 -5.699 -5.707 1.00 0.54 O ATOM 620 CB GLU A 44 5.706 -5.769 -8.481 1.00 0.83 C ATOM 621 CG GLU A 44 6.697 -5.255 -7.445 1.00 0.92 C ATOM 622 CD GLU A 44 8.105 -5.755 -7.689 1.00 1.48 C ATOM 623 OE1 GLU A 44 8.411 -6.899 -7.296 1.00 2.30 O ATOM 624 OE2 GLU A 44 8.913 -5.004 -8.274 1.00 1.80 O ATOM 0 H GLU A 44 4.212 -3.703 -7.106 1.00 0.48 H new ATOM 0 HA GLU A 44 3.596 -5.967 -8.872 1.00 0.60 H new ATOM 0 HB2 GLU A 44 5.880 -6.833 -8.639 1.00 0.83 H new ATOM 0 HB3 GLU A 44 5.897 -5.270 -9.431 1.00 0.83 H new ATOM 0 HG2 GLU A 44 6.695 -4.165 -7.455 1.00 0.92 H new ATOM 0 HG3 GLU A 44 6.372 -5.565 -6.452 1.00 0.92 H new ATOM 631 N SER A 45 3.659 -7.576 -6.886 1.00 0.61 N ATOM 632 CA SER A 45 3.555 -8.437 -5.720 1.00 0.55 C ATOM 633 C SER A 45 4.797 -9.319 -5.648 1.00 0.80 C ATOM 634 O SER A 45 5.202 -9.906 -6.650 1.00 1.15 O ATOM 635 CB SER A 45 2.294 -9.305 -5.795 1.00 0.83 C ATOM 636 OG SER A 45 2.064 -9.996 -4.576 1.00 1.61 O ATOM 0 H SER A 45 3.485 -8.049 -7.773 1.00 0.61 H new ATOM 0 HA SER A 45 3.484 -7.821 -4.823 1.00 0.55 H new ATOM 0 HB2 SER A 45 1.433 -8.678 -6.027 1.00 0.83 H new ATOM 0 HB3 SER A 45 2.394 -10.024 -6.608 1.00 0.83 H new ATOM 0 HG SER A 45 1.252 -10.539 -4.656 1.00 1.61 H new ATOM 642 N PRO A 46 5.420 -9.422 -4.466 1.00 0.85 N ATOM 643 CA PRO A 46 6.655 -10.199 -4.268 1.00 1.17 C ATOM 644 C PRO A 46 6.432 -11.716 -4.296 1.00 1.12 C ATOM 645 O PRO A 46 7.208 -12.473 -3.706 1.00 1.88 O ATOM 646 CB PRO A 46 7.136 -9.770 -2.873 1.00 1.50 C ATOM 647 CG PRO A 46 6.285 -8.605 -2.486 1.00 1.39 C ATOM 648 CD PRO A 46 4.994 -8.766 -3.230 1.00 0.92 C ATOM 0 HA PRO A 46 7.368 -10.005 -5.070 1.00 1.17 H new ATOM 0 HB2 PRO A 46 7.032 -10.585 -2.156 1.00 1.50 H new ATOM 0 HB3 PRO A 46 8.190 -9.494 -2.891 1.00 1.50 H new ATOM 0 HG2 PRO A 46 6.115 -8.588 -1.410 1.00 1.39 H new ATOM 0 HG3 PRO A 46 6.770 -7.665 -2.747 1.00 1.39 H new ATOM 0 HD2 PRO A 46 4.279 -9.372 -2.675 1.00 0.92 H new ATOM 0 HD3 PRO A 46 4.515 -7.806 -3.424 1.00 0.92 H new ATOM 656 N ASN A 47 5.371 -12.146 -4.975 1.00 1.01 N ATOM 657 CA ASN A 47 5.043 -13.565 -5.106 1.00 1.08 C ATOM 658 C ASN A 47 3.799 -13.721 -5.969 1.00 0.97 C ATOM 659 O ASN A 47 2.847 -14.408 -5.600 1.00 1.25 O ATOM 660 CB ASN A 47 4.819 -14.210 -3.732 1.00 1.23 C ATOM 661 CG ASN A 47 4.913 -15.724 -3.774 1.00 1.53 C ATOM 662 OD1 ASN A 47 5.600 -16.296 -4.620 1.00 2.43 O ATOM 663 ND2 ASN A 47 4.230 -16.385 -2.850 1.00 1.23 N ATOM 0 H ASN A 47 4.716 -11.524 -5.449 1.00 1.01 H new ATOM 0 HA ASN A 47 5.882 -14.073 -5.581 1.00 1.08 H new ATOM 0 HB2 ASN A 47 5.557 -13.824 -3.029 1.00 1.23 H new ATOM 0 HB3 ASN A 47 3.838 -13.921 -3.355 1.00 1.23 H new ATOM 0 HD21 ASN A 47 4.263 -17.404 -2.823 1.00 1.23 H new ATOM 0 HD22 ASN A 47 3.672 -15.874 -2.166 1.00 1.23 H new ATOM 670 N GLU A 48 3.798 -13.050 -7.111 1.00 0.86 N ATOM 671 CA GLU A 48 2.673 -13.122 -8.021 1.00 0.93 C ATOM 672 C GLU A 48 3.068 -13.790 -9.331 1.00 0.93 C ATOM 673 O GLU A 48 4.012 -13.381 -10.008 1.00 1.53 O ATOM 674 CB GLU A 48 2.085 -11.731 -8.281 1.00 1.24 C ATOM 675 CG GLU A 48 2.957 -10.808 -9.114 1.00 1.89 C ATOM 676 CD GLU A 48 2.188 -9.604 -9.606 1.00 2.65 C ATOM 677 OE1 GLU A 48 1.336 -9.763 -10.504 1.00 2.99 O ATOM 678 OE2 GLU A 48 2.447 -8.484 -9.110 1.00 3.26 O ATOM 0 H GLU A 48 4.562 -12.452 -7.426 1.00 0.86 H new ATOM 0 HA GLU A 48 1.905 -13.733 -7.548 1.00 0.93 H new ATOM 0 HB2 GLU A 48 1.124 -11.848 -8.782 1.00 1.24 H new ATOM 0 HB3 GLU A 48 1.888 -11.252 -7.322 1.00 1.24 H new ATOM 0 HG2 GLU A 48 3.809 -10.477 -8.519 1.00 1.89 H new ATOM 0 HG3 GLU A 48 3.357 -11.357 -9.966 1.00 1.89 H new ATOM 685 N SER A 49 2.359 -14.855 -9.644 1.00 0.94 N ATOM 686 CA SER A 49 2.500 -15.526 -10.920 1.00 1.13 C ATOM 687 C SER A 49 1.124 -15.987 -11.388 1.00 1.05 C ATOM 688 O SER A 49 0.785 -15.893 -12.566 1.00 1.48 O ATOM 689 CB SER A 49 3.461 -16.713 -10.799 1.00 1.39 C ATOM 690 OG SER A 49 3.754 -17.279 -12.066 1.00 2.06 O ATOM 0 H SER A 49 1.670 -15.279 -9.023 1.00 0.94 H new ATOM 0 HA SER A 49 2.918 -14.837 -11.653 1.00 1.13 H new ATOM 0 HB2 SER A 49 4.386 -16.386 -10.323 1.00 1.39 H new ATOM 0 HB3 SER A 49 3.022 -17.473 -10.153 1.00 1.39 H new ATOM 0 HG SER A 49 4.370 -18.032 -11.953 1.00 2.06 H new ATOM 696 N MET A 50 0.329 -16.471 -10.443 1.00 0.77 N ATOM 697 CA MET A 50 -1.038 -16.881 -10.725 1.00 0.69 C ATOM 698 C MET A 50 -2.028 -15.898 -10.111 1.00 0.60 C ATOM 699 O MET A 50 -3.091 -15.627 -10.668 1.00 0.66 O ATOM 700 CB MET A 50 -1.297 -18.294 -10.212 1.00 0.68 C ATOM 701 CG MET A 50 -1.256 -18.448 -8.693 1.00 0.66 C ATOM 702 SD MET A 50 0.316 -17.948 -7.959 1.00 1.25 S ATOM 703 CE MET A 50 -0.009 -18.275 -6.228 1.00 1.10 C ATOM 0 H MET A 50 0.610 -16.589 -9.470 1.00 0.77 H new ATOM 0 HA MET A 50 -1.177 -16.881 -11.806 1.00 0.69 H new ATOM 0 HB2 MET A 50 -2.274 -18.620 -10.569 1.00 0.68 H new ATOM 0 HB3 MET A 50 -0.558 -18.964 -10.650 1.00 0.68 H new ATOM 0 HG2 MET A 50 -2.058 -17.854 -8.254 1.00 0.66 H new ATOM 0 HG3 MET A 50 -1.453 -19.489 -8.436 1.00 0.66 H new ATOM 0 HE1 MET A 50 0.388 -17.460 -5.623 1.00 1.10 H new ATOM 0 HE2 MET A 50 -1.084 -18.355 -6.068 1.00 1.10 H new ATOM 0 HE3 MET A 50 0.471 -19.210 -5.938 1.00 1.10 H new ATOM 713 N PHE A 51 -1.662 -15.380 -8.953 1.00 0.52 N ATOM 714 CA PHE A 51 -2.443 -14.365 -8.271 1.00 0.44 C ATOM 715 C PHE A 51 -1.693 -13.041 -8.354 1.00 0.51 C ATOM 716 O PHE A 51 -0.508 -13.039 -8.673 1.00 0.74 O ATOM 717 CB PHE A 51 -2.707 -14.807 -6.829 1.00 0.37 C ATOM 718 CG PHE A 51 -3.934 -15.671 -6.691 1.00 0.38 C ATOM 719 CD1 PHE A 51 -3.992 -16.914 -7.302 1.00 0.60 C ATOM 720 CD2 PHE A 51 -5.017 -15.250 -5.939 1.00 0.40 C ATOM 721 CE1 PHE A 51 -5.107 -17.718 -7.164 1.00 0.73 C ATOM 722 CE2 PHE A 51 -6.136 -16.047 -5.799 1.00 0.49 C ATOM 723 CZ PHE A 51 -6.214 -17.245 -6.459 1.00 0.61 C ATOM 0 H PHE A 51 -0.813 -15.652 -8.458 1.00 0.52 H new ATOM 0 HA PHE A 51 -3.416 -14.230 -8.744 1.00 0.44 H new ATOM 0 HB2 PHE A 51 -1.841 -15.355 -6.459 1.00 0.37 H new ATOM 0 HB3 PHE A 51 -2.819 -13.924 -6.199 1.00 0.37 H new ATOM 0 HD1 PHE A 51 -3.156 -17.258 -7.893 1.00 0.60 H new ATOM 0 HD2 PHE A 51 -4.987 -14.285 -5.455 1.00 0.40 H new ATOM 0 HE1 PHE A 51 -5.122 -18.706 -7.599 1.00 0.73 H new ATOM 0 HE2 PHE A 51 -6.951 -15.725 -5.168 1.00 0.49 H new ATOM 0 HZ PHE A 51 -7.128 -17.820 -6.434 1.00 0.61 H new ATOM 733 N THR A 52 -2.359 -11.927 -8.077 1.00 0.47 N ATOM 734 CA THR A 52 -1.819 -10.622 -8.448 1.00 0.61 C ATOM 735 C THR A 52 -2.480 -9.467 -7.675 1.00 0.49 C ATOM 736 O THR A 52 -3.446 -9.660 -6.933 1.00 0.75 O ATOM 737 CB THR A 52 -1.953 -10.392 -9.970 1.00 1.10 C ATOM 738 OG1 THR A 52 -1.243 -9.208 -10.363 1.00 1.41 O ATOM 739 CG2 THR A 52 -3.411 -10.277 -10.378 1.00 1.46 C ATOM 0 H THR A 52 -3.262 -11.898 -7.603 1.00 0.47 H new ATOM 0 HA THR A 52 -0.764 -10.629 -8.176 1.00 0.61 H new ATOM 0 HB THR A 52 -1.519 -11.254 -10.477 1.00 1.10 H new ATOM 0 HG1 THR A 52 -0.400 -9.460 -10.795 1.00 1.41 H new ATOM 0 HG21 THR A 52 -3.476 -10.115 -11.454 1.00 1.46 H new ATOM 0 HG22 THR A 52 -3.936 -11.196 -10.117 1.00 1.46 H new ATOM 0 HG23 THR A 52 -3.870 -9.437 -9.857 1.00 1.46 H new ATOM 747 N VAL A 53 -1.921 -8.272 -7.846 1.00 0.46 N ATOM 748 CA VAL A 53 -2.329 -7.084 -7.102 1.00 0.44 C ATOM 749 C VAL A 53 -3.262 -6.201 -7.927 1.00 0.49 C ATOM 750 O VAL A 53 -3.106 -6.076 -9.141 1.00 0.76 O ATOM 751 CB VAL A 53 -1.097 -6.216 -6.756 1.00 0.67 C ATOM 752 CG1 VAL A 53 -1.456 -5.086 -5.802 1.00 1.00 C ATOM 753 CG2 VAL A 53 0.024 -7.063 -6.196 1.00 1.31 C ATOM 0 H VAL A 53 -1.166 -8.100 -8.510 1.00 0.46 H new ATOM 0 HA VAL A 53 -2.835 -7.438 -6.204 1.00 0.44 H new ATOM 0 HB VAL A 53 -0.748 -5.762 -7.683 1.00 0.67 H new ATOM 0 HG11 VAL A 53 -0.565 -4.498 -5.582 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -2.208 -4.446 -6.263 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -1.853 -5.503 -4.876 1.00 1.00 H new ATOM 0 HG21 VAL A 53 0.878 -6.427 -5.961 1.00 1.31 H new ATOM 0 HG22 VAL A 53 -0.316 -7.563 -5.289 1.00 1.31 H new ATOM 0 HG23 VAL A 53 0.319 -7.810 -6.933 1.00 1.31 H new ATOM 763 N GLU A 54 -4.224 -5.593 -7.253 1.00 0.45 N ATOM 764 CA GLU A 54 -5.050 -4.548 -7.835 1.00 0.52 C ATOM 765 C GLU A 54 -4.674 -3.214 -7.193 1.00 0.46 C ATOM 766 O GLU A 54 -4.551 -3.119 -5.968 1.00 0.59 O ATOM 767 CB GLU A 54 -6.540 -4.833 -7.600 1.00 0.71 C ATOM 768 CG GLU A 54 -6.899 -4.976 -6.129 1.00 1.35 C ATOM 769 CD GLU A 54 -8.382 -4.853 -5.849 1.00 1.86 C ATOM 770 OE1 GLU A 54 -8.942 -3.764 -6.054 1.00 2.45 O ATOM 771 OE2 GLU A 54 -9.004 -5.865 -5.460 1.00 2.18 O ATOM 0 H GLU A 54 -4.455 -5.811 -6.284 1.00 0.45 H new ATOM 0 HA GLU A 54 -4.877 -4.514 -8.911 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -7.130 -4.026 -8.034 1.00 0.71 H new ATOM 0 HB3 GLU A 54 -6.815 -5.748 -8.125 1.00 0.71 H new ATOM 0 HG2 GLU A 54 -6.550 -5.945 -5.772 1.00 1.35 H new ATOM 0 HG3 GLU A 54 -6.366 -4.215 -5.559 1.00 1.35 H new ATOM 778 N ASN A 55 -4.465 -2.189 -7.999 1.00 0.49 N ATOM 779 CA ASN A 55 -4.154 -0.883 -7.434 1.00 0.46 C ATOM 780 C ASN A 55 -5.328 0.066 -7.581 1.00 0.46 C ATOM 781 O ASN A 55 -5.942 0.181 -8.645 1.00 0.65 O ATOM 782 CB ASN A 55 -2.852 -0.272 -7.986 1.00 0.62 C ATOM 783 CG ASN A 55 -2.944 0.450 -9.336 1.00 1.21 C ATOM 784 OD1 ASN A 55 -2.247 1.442 -9.547 1.00 1.84 O ATOM 785 ND2 ASN A 55 -3.751 -0.035 -10.269 1.00 1.93 N ATOM 0 H ASN A 55 -4.502 -2.228 -9.018 1.00 0.49 H new ATOM 0 HA ASN A 55 -3.974 -1.041 -6.371 1.00 0.46 H new ATOM 0 HB2 ASN A 55 -2.469 0.434 -7.249 1.00 0.62 H new ATOM 0 HB3 ASN A 55 -2.115 -1.070 -8.077 1.00 0.62 H new ATOM 0 HD21 ASN A 55 -3.803 0.415 -11.183 1.00 1.93 H new ATOM 0 HD22 ASN A 55 -4.320 -0.858 -10.073 1.00 1.93 H new ATOM 792 N LYS A 56 -5.656 0.724 -6.486 1.00 0.42 N ATOM 793 CA LYS A 56 -6.847 1.545 -6.411 1.00 0.43 C ATOM 794 C LYS A 56 -6.698 2.590 -5.327 1.00 0.46 C ATOM 795 O LYS A 56 -6.795 2.291 -4.133 1.00 0.53 O ATOM 796 CB LYS A 56 -8.069 0.670 -6.139 1.00 0.55 C ATOM 797 CG LYS A 56 -7.748 -0.638 -5.426 1.00 1.03 C ATOM 798 CD LYS A 56 -8.023 -0.577 -3.932 1.00 0.62 C ATOM 799 CE LYS A 56 -9.467 -0.212 -3.640 1.00 1.26 C ATOM 800 NZ LYS A 56 -10.431 -1.011 -4.449 1.00 1.42 N ATOM 0 H LYS A 56 -5.106 0.704 -5.627 1.00 0.42 H new ATOM 0 HA LYS A 56 -6.984 2.053 -7.365 1.00 0.43 H new ATOM 0 HB2 LYS A 56 -8.781 1.235 -5.537 1.00 0.55 H new ATOM 0 HB3 LYS A 56 -8.560 0.445 -7.086 1.00 0.55 H new ATOM 0 HG2 LYS A 56 -8.338 -1.441 -5.867 1.00 1.03 H new ATOM 0 HG3 LYS A 56 -6.699 -0.887 -5.588 1.00 1.03 H new ATOM 0 HD2 LYS A 56 -7.793 -1.542 -3.480 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -7.362 0.156 -3.470 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -9.671 -0.367 -2.580 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -9.619 0.848 -3.842 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -11.392 -0.876 -4.076 1.00 1.42 H new ATOM 0 HZ2 LYS A 56 -10.397 -0.697 -5.440 1.00 1.42 H new ATOM 0 HZ3 LYS A 56 -10.177 -2.018 -4.396 1.00 1.42 H new ATOM 814 N TYR A 57 -6.468 3.815 -5.736 1.00 0.48 N ATOM 815 CA TYR A 57 -6.219 4.871 -4.788 1.00 0.56 C ATOM 816 C TYR A 57 -7.064 6.104 -5.068 1.00 0.57 C ATOM 817 O TYR A 57 -7.152 6.578 -6.199 1.00 0.71 O ATOM 818 CB TYR A 57 -4.734 5.212 -4.739 1.00 0.69 C ATOM 819 CG TYR A 57 -3.968 5.020 -6.026 1.00 0.54 C ATOM 820 CD1 TYR A 57 -4.049 5.934 -7.063 1.00 0.91 C ATOM 821 CD2 TYR A 57 -3.138 3.918 -6.183 1.00 0.61 C ATOM 822 CE1 TYR A 57 -3.324 5.754 -8.225 1.00 1.19 C ATOM 823 CE2 TYR A 57 -2.413 3.731 -7.341 1.00 0.98 C ATOM 824 CZ TYR A 57 -2.510 4.651 -8.359 1.00 1.19 C ATOM 825 OH TYR A 57 -1.785 4.466 -9.516 1.00 1.66 O ATOM 0 H TYR A 57 -6.448 4.103 -6.714 1.00 0.48 H new ATOM 0 HA TYR A 57 -6.517 4.505 -3.805 1.00 0.56 H new ATOM 0 HB2 TYR A 57 -4.630 6.252 -4.429 1.00 0.69 H new ATOM 0 HB3 TYR A 57 -4.267 4.601 -3.967 1.00 0.69 H new ATOM 0 HD1 TYR A 57 -4.688 6.799 -6.962 1.00 0.91 H new ATOM 0 HD2 TYR A 57 -3.059 3.195 -5.385 1.00 0.61 H new ATOM 0 HE1 TYR A 57 -3.395 6.476 -9.025 1.00 1.19 H new ATOM 0 HE2 TYR A 57 -1.773 2.868 -7.448 1.00 0.98 H new ATOM 0 HH TYR A 57 -1.795 3.517 -9.760 1.00 1.66 H new ATOM 835 N PHE A 58 -7.694 6.601 -4.012 1.00 0.52 N ATOM 836 CA PHE A 58 -8.614 7.722 -4.093 1.00 0.60 C ATOM 837 C PHE A 58 -8.363 8.704 -2.950 1.00 0.73 C ATOM 838 O PHE A 58 -8.754 8.449 -1.809 1.00 0.80 O ATOM 839 CB PHE A 58 -10.052 7.204 -3.986 1.00 0.67 C ATOM 840 CG PHE A 58 -10.429 6.200 -5.039 1.00 0.96 C ATOM 841 CD1 PHE A 58 -10.808 6.613 -6.305 1.00 1.19 C ATOM 842 CD2 PHE A 58 -10.400 4.842 -4.758 1.00 1.56 C ATOM 843 CE1 PHE A 58 -11.153 5.687 -7.273 1.00 1.65 C ATOM 844 CE2 PHE A 58 -10.743 3.916 -5.720 1.00 2.14 C ATOM 845 CZ PHE A 58 -11.120 4.339 -6.978 1.00 2.08 C ATOM 0 H PHE A 58 -7.578 6.233 -3.068 1.00 0.52 H new ATOM 0 HA PHE A 58 -8.461 8.231 -5.045 1.00 0.60 H new ATOM 0 HB2 PHE A 58 -10.191 6.752 -3.004 1.00 0.67 H new ATOM 0 HB3 PHE A 58 -10.736 8.051 -4.047 1.00 0.67 H new ATOM 0 HD1 PHE A 58 -10.835 7.667 -6.539 1.00 1.19 H new ATOM 0 HD2 PHE A 58 -10.105 4.506 -3.775 1.00 1.56 H new ATOM 0 HE1 PHE A 58 -11.448 6.018 -8.258 1.00 1.65 H new ATOM 0 HE2 PHE A 58 -10.717 2.861 -5.489 1.00 2.14 H new ATOM 0 HZ PHE A 58 -11.390 3.615 -7.733 1.00 2.08 H new ATOM 855 N PRO A 59 -7.692 9.829 -3.228 1.00 0.90 N ATOM 856 CA PRO A 59 -7.535 10.927 -2.260 1.00 1.17 C ATOM 857 C PRO A 59 -8.885 11.559 -1.868 1.00 1.32 C ATOM 858 O PRO A 59 -9.927 11.155 -2.387 1.00 1.92 O ATOM 859 CB PRO A 59 -6.637 11.923 -3.010 1.00 1.46 C ATOM 860 CG PRO A 59 -5.933 11.085 -4.015 1.00 1.30 C ATOM 861 CD PRO A 59 -6.965 10.103 -4.475 1.00 1.01 C ATOM 0 HA PRO A 59 -7.112 10.595 -1.312 1.00 1.17 H new ATOM 0 HB2 PRO A 59 -7.223 12.709 -3.486 1.00 1.46 H new ATOM 0 HB3 PRO A 59 -5.934 12.413 -2.336 1.00 1.46 H new ATOM 0 HG2 PRO A 59 -5.562 11.688 -4.844 1.00 1.30 H new ATOM 0 HG3 PRO A 59 -5.072 10.580 -3.577 1.00 1.30 H new ATOM 0 HD2 PRO A 59 -7.614 10.522 -5.244 1.00 1.01 H new ATOM 0 HD3 PRO A 59 -6.515 9.202 -4.893 1.00 1.01 H new ATOM 869 N PRO A 60 -8.885 12.533 -0.928 1.00 1.14 N ATOM 870 CA PRO A 60 -10.108 13.171 -0.401 1.00 1.27 C ATOM 871 C PRO A 60 -11.147 13.594 -1.442 1.00 1.97 C ATOM 872 O PRO A 60 -10.906 13.616 -2.651 1.00 2.64 O ATOM 873 CB PRO A 60 -9.567 14.397 0.319 1.00 1.41 C ATOM 874 CG PRO A 60 -8.252 13.947 0.825 1.00 1.85 C ATOM 875 CD PRO A 60 -7.684 13.071 -0.259 1.00 1.56 C ATOM 0 HA PRO A 60 -10.660 12.461 0.215 1.00 1.27 H new ATOM 0 HB2 PRO A 60 -9.468 15.248 -0.355 1.00 1.41 H new ATOM 0 HB3 PRO A 60 -10.224 14.709 1.131 1.00 1.41 H new ATOM 0 HG2 PRO A 60 -7.598 14.795 1.027 1.00 1.85 H new ATOM 0 HG3 PRO A 60 -8.358 13.396 1.760 1.00 1.85 H new ATOM 0 HD2 PRO A 60 -7.060 13.639 -0.949 1.00 1.56 H new ATOM 0 HD3 PRO A 60 -7.062 12.275 0.152 1.00 1.56 H new ATOM 883 N ASP A 61 -12.304 13.971 -0.914 1.00 2.53 N ATOM 884 CA ASP A 61 -13.492 14.279 -1.702 1.00 3.55 C ATOM 885 C ASP A 61 -14.532 14.871 -0.774 1.00 4.33 C ATOM 886 O ASP A 61 -14.810 16.070 -0.795 1.00 4.81 O ATOM 887 CB ASP A 61 -14.055 12.999 -2.324 1.00 4.18 C ATOM 888 CG ASP A 61 -15.363 13.209 -3.064 1.00 5.17 C ATOM 889 OD1 ASP A 61 -15.338 13.568 -4.257 1.00 5.80 O ATOM 890 OD2 ASP A 61 -16.432 12.998 -2.451 1.00 5.51 O ATOM 0 H ASP A 61 -12.447 14.073 0.091 1.00 2.53 H new ATOM 0 HA ASP A 61 -13.236 14.979 -2.498 1.00 3.55 H new ATOM 0 HB2 ASP A 61 -13.319 12.586 -3.014 1.00 4.18 H new ATOM 0 HB3 ASP A 61 -14.206 12.259 -1.538 1.00 4.18 H new ATOM 895 N SER A 62 -15.077 13.993 0.056 1.00 4.84 N ATOM 896 CA SER A 62 -15.989 14.362 1.116 1.00 5.85 C ATOM 897 C SER A 62 -16.301 13.125 1.951 1.00 6.45 C ATOM 898 O SER A 62 -15.620 12.842 2.934 1.00 6.95 O ATOM 899 CB SER A 62 -17.277 14.986 0.553 1.00 6.81 C ATOM 900 OG SER A 62 -18.158 15.390 1.590 1.00 7.43 O ATOM 0 H SER A 62 -14.892 12.991 0.007 1.00 4.84 H new ATOM 0 HA SER A 62 -15.519 15.117 1.746 1.00 5.85 H new ATOM 0 HB2 SER A 62 -17.024 15.846 -0.067 1.00 6.81 H new ATOM 0 HB3 SER A 62 -17.779 14.265 -0.092 1.00 6.81 H new ATOM 0 HG SER A 62 -18.965 15.784 1.198 1.00 7.43 H new ATOM 906 N LYS A 63 -17.290 12.361 1.511 1.00 6.69 N ATOM 907 CA LYS A 63 -17.670 11.114 2.173 1.00 7.56 C ATOM 908 C LYS A 63 -16.743 9.975 1.758 1.00 7.34 C ATOM 909 O LYS A 63 -16.671 8.952 2.434 1.00 8.03 O ATOM 910 CB LYS A 63 -19.130 10.747 1.845 1.00 8.44 C ATOM 911 CG LYS A 63 -19.361 10.242 0.421 1.00 8.39 C ATOM 912 CD LYS A 63 -18.756 11.177 -0.610 1.00 7.90 C ATOM 913 CE LYS A 63 -19.133 10.790 -2.029 1.00 8.47 C ATOM 914 NZ LYS A 63 -18.787 11.859 -3.004 1.00 8.71 N ATOM 0 H LYS A 63 -17.852 12.583 0.689 1.00 6.69 H new ATOM 0 HA LYS A 63 -17.578 11.265 3.249 1.00 7.56 H new ATOM 0 HB2 LYS A 63 -19.463 9.981 2.545 1.00 8.44 H new ATOM 0 HB3 LYS A 63 -19.756 11.624 2.010 1.00 8.44 H new ATOM 0 HG2 LYS A 63 -18.926 9.249 0.312 1.00 8.39 H new ATOM 0 HG3 LYS A 63 -20.431 10.143 0.239 1.00 8.39 H new ATOM 0 HD2 LYS A 63 -19.089 12.196 -0.413 1.00 7.90 H new ATOM 0 HD3 LYS A 63 -17.671 11.171 -0.510 1.00 7.90 H new ATOM 0 HE2 LYS A 63 -18.620 9.868 -2.303 1.00 8.47 H new ATOM 0 HE3 LYS A 63 -20.203 10.586 -2.078 1.00 8.47 H new ATOM 0 HZ1 LYS A 63 -18.619 11.435 -3.939 1.00 8.71 H new ATOM 0 HZ2 LYS A 63 -19.572 12.538 -3.068 1.00 8.71 H new ATOM 0 HZ3 LYS A 63 -17.928 12.352 -2.688 1.00 8.71 H new ATOM 928 N LEU A 64 -16.054 10.150 0.626 1.00 6.59 N ATOM 929 CA LEU A 64 -15.069 9.172 0.169 1.00 6.64 C ATOM 930 C LEU A 64 -14.062 8.946 1.268 1.00 5.83 C ATOM 931 O LEU A 64 -13.764 7.814 1.644 1.00 6.33 O ATOM 932 CB LEU A 64 -14.348 9.665 -1.085 1.00 6.54 C ATOM 933 CG LEU A 64 -13.383 8.663 -1.720 1.00 7.43 C ATOM 934 CD1 LEU A 64 -14.118 7.411 -2.175 1.00 7.88 C ATOM 935 CD2 LEU A 64 -12.650 9.305 -2.884 1.00 8.10 C ATOM 0 H LEU A 64 -16.162 10.958 0.013 1.00 6.59 H new ATOM 0 HA LEU A 64 -15.583 8.242 -0.075 1.00 6.64 H new ATOM 0 HB2 LEU A 64 -15.095 9.945 -1.827 1.00 6.54 H new ATOM 0 HB3 LEU A 64 -13.794 10.569 -0.834 1.00 6.54 H new ATOM 0 HG LEU A 64 -12.652 8.368 -0.967 1.00 7.43 H new ATOM 0 HD11 LEU A 64 -13.409 6.715 -2.623 1.00 7.88 H new ATOM 0 HD12 LEU A 64 -14.597 6.939 -1.318 1.00 7.88 H new ATOM 0 HD13 LEU A 64 -14.875 7.681 -2.911 1.00 7.88 H new ATOM 0 HD21 LEU A 64 -11.966 8.581 -3.327 1.00 8.10 H new ATOM 0 HD22 LEU A 64 -13.371 9.629 -3.634 1.00 8.10 H new ATOM 0 HD23 LEU A 64 -12.085 10.167 -2.528 1.00 8.10 H new ATOM 947 N LEU A 65 -13.554 10.050 1.786 1.00 4.74 N ATOM 948 CA LEU A 65 -12.714 10.013 2.953 1.00 4.07 C ATOM 949 C LEU A 65 -12.651 11.399 3.574 1.00 3.22 C ATOM 950 O LEU A 65 -13.137 11.630 4.681 1.00 3.56 O ATOM 951 CB LEU A 65 -11.302 9.502 2.599 1.00 4.05 C ATOM 952 CG LEU A 65 -10.509 8.820 3.731 1.00 4.01 C ATOM 953 CD1 LEU A 65 -10.322 9.740 4.925 1.00 4.35 C ATOM 954 CD2 LEU A 65 -11.185 7.528 4.159 1.00 4.56 C ATOM 0 H LEU A 65 -13.714 10.984 1.409 1.00 4.74 H new ATOM 0 HA LEU A 65 -13.141 9.319 3.677 1.00 4.07 H new ATOM 0 HB2 LEU A 65 -11.393 8.796 1.774 1.00 4.05 H new ATOM 0 HB3 LEU A 65 -10.716 10.346 2.234 1.00 4.05 H new ATOM 0 HG LEU A 65 -9.520 8.586 3.337 1.00 4.01 H new ATOM 0 HD11 LEU A 65 -9.758 9.220 5.700 1.00 4.35 H new ATOM 0 HD12 LEU A 65 -9.777 10.632 4.615 1.00 4.35 H new ATOM 0 HD13 LEU A 65 -11.297 10.029 5.318 1.00 4.35 H new ATOM 0 HD21 LEU A 65 -10.608 7.063 4.959 1.00 4.56 H new ATOM 0 HD22 LEU A 65 -12.192 7.745 4.516 1.00 4.56 H new ATOM 0 HD23 LEU A 65 -11.240 6.848 3.309 1.00 4.56 H new ATOM 966 N GLY A 66 -12.041 12.310 2.840 1.00 2.53 N ATOM 967 CA GLY A 66 -11.979 13.700 3.254 1.00 2.28 C ATOM 968 C GLY A 66 -10.890 13.963 4.276 1.00 2.48 C ATOM 969 O GLY A 66 -9.964 14.728 4.014 1.00 3.02 O ATOM 0 H GLY A 66 -11.580 12.112 1.952 1.00 2.53 H new ATOM 0 HA2 GLY A 66 -11.808 14.327 2.379 1.00 2.28 H new ATOM 0 HA3 GLY A 66 -12.942 13.992 3.673 1.00 2.28 H new ATOM 973 N ALA A 67 -11.001 13.299 5.425 1.00 2.66 N ATOM 974 CA ALA A 67 -10.077 13.479 6.548 1.00 3.24 C ATOM 975 C ALA A 67 -8.619 13.337 6.127 1.00 3.13 C ATOM 976 O ALA A 67 -7.748 14.073 6.589 1.00 3.73 O ATOM 977 CB ALA A 67 -10.398 12.469 7.637 1.00 4.02 C ATOM 0 H ALA A 67 -11.738 12.617 5.606 1.00 2.66 H new ATOM 0 HA ALA A 67 -10.209 14.494 6.924 1.00 3.24 H new ATOM 0 HB1 ALA A 67 -9.710 12.603 8.472 1.00 4.02 H new ATOM 0 HB2 ALA A 67 -11.421 12.619 7.982 1.00 4.02 H new ATOM 0 HB3 ALA A 67 -10.293 11.460 7.239 1.00 4.02 H new ATOM 983 N GLY A 68 -8.356 12.376 5.260 1.00 2.74 N ATOM 984 CA GLY A 68 -7.009 12.164 4.789 1.00 2.84 C ATOM 985 C GLY A 68 -6.983 11.719 3.351 1.00 2.21 C ATOM 986 O GLY A 68 -6.351 12.343 2.515 1.00 2.79 O ATOM 0 H GLY A 68 -9.052 11.739 4.874 1.00 2.74 H new ATOM 0 HA2 GLY A 68 -6.438 13.086 4.894 1.00 2.84 H new ATOM 0 HA3 GLY A 68 -6.520 11.414 5.411 1.00 2.84 H new ATOM 990 N GLY A 69 -7.684 10.646 3.062 1.00 1.49 N ATOM 991 CA GLY A 69 -7.697 10.106 1.722 1.00 1.05 C ATOM 992 C GLY A 69 -7.599 8.605 1.763 1.00 0.84 C ATOM 993 O GLY A 69 -7.601 8.025 2.847 1.00 1.12 O ATOM 0 H GLY A 69 -8.251 10.131 3.735 1.00 1.49 H new ATOM 0 HA2 GLY A 69 -8.613 10.404 1.212 1.00 1.05 H new ATOM 0 HA3 GLY A 69 -6.865 10.516 1.149 1.00 1.05 H new ATOM 997 N THR A 70 -7.506 7.960 0.614 1.00 0.52 N ATOM 998 CA THR A 70 -7.496 6.516 0.585 1.00 0.46 C ATOM 999 C THR A 70 -6.820 5.963 -0.656 1.00 0.39 C ATOM 1000 O THR A 70 -7.475 5.631 -1.635 1.00 0.44 O ATOM 1001 CB THR A 70 -8.923 5.965 0.675 1.00 0.58 C ATOM 1002 OG1 THR A 70 -9.876 7.027 0.498 1.00 0.97 O ATOM 1003 CG2 THR A 70 -9.117 5.290 2.018 1.00 0.59 C ATOM 0 H THR A 70 -7.437 8.410 -0.299 1.00 0.52 H new ATOM 0 HA THR A 70 -6.919 6.193 1.451 1.00 0.46 H new ATOM 0 HB THR A 70 -9.081 5.232 -0.116 1.00 0.58 H new ATOM 0 HG1 THR A 70 -9.688 7.499 -0.340 1.00 0.97 H new ATOM 0 HG21 THR A 70 -10.132 4.897 2.085 1.00 0.59 H new ATOM 0 HG22 THR A 70 -8.404 4.472 2.121 1.00 0.59 H new ATOM 0 HG23 THR A 70 -8.955 6.015 2.816 1.00 0.59 H new ATOM 1011 N GLU A 71 -5.514 5.825 -0.589 1.00 0.34 N ATOM 1012 CA GLU A 71 -4.749 5.269 -1.683 1.00 0.34 C ATOM 1013 C GLU A 71 -4.340 3.840 -1.350 1.00 0.31 C ATOM 1014 O GLU A 71 -3.438 3.624 -0.553 1.00 0.31 O ATOM 1015 CB GLU A 71 -3.514 6.131 -1.956 1.00 0.36 C ATOM 1016 CG GLU A 71 -3.856 7.558 -2.359 1.00 0.47 C ATOM 1017 CD GLU A 71 -2.664 8.319 -2.897 1.00 0.49 C ATOM 1018 OE1 GLU A 71 -1.916 8.893 -2.083 1.00 0.53 O ATOM 1019 OE2 GLU A 71 -2.471 8.336 -4.130 1.00 0.81 O ATOM 0 H GLU A 71 -4.955 6.093 0.221 1.00 0.34 H new ATOM 0 HA GLU A 71 -5.365 5.258 -2.582 1.00 0.34 H new ATOM 0 HB2 GLU A 71 -2.889 6.152 -1.063 1.00 0.36 H new ATOM 0 HB3 GLU A 71 -2.924 5.668 -2.747 1.00 0.36 H new ATOM 0 HG2 GLU A 71 -4.640 7.539 -3.116 1.00 0.47 H new ATOM 0 HG3 GLU A 71 -4.259 8.087 -1.496 1.00 0.47 H new ATOM 1026 N HIS A 72 -5.001 2.851 -1.950 1.00 0.31 N ATOM 1027 CA HIS A 72 -4.770 1.475 -1.531 1.00 0.32 C ATOM 1028 C HIS A 72 -4.116 0.637 -2.616 1.00 0.29 C ATOM 1029 O HIS A 72 -4.135 0.968 -3.803 1.00 0.36 O ATOM 1030 CB HIS A 72 -6.036 0.715 -1.104 1.00 0.40 C ATOM 1031 CG HIS A 72 -7.229 1.494 -0.632 1.00 0.38 C ATOM 1032 ND1 HIS A 72 -8.190 0.925 0.171 1.00 0.42 N ATOM 1033 CD2 HIS A 72 -7.661 2.743 -0.891 1.00 0.46 C ATOM 1034 CE1 HIS A 72 -9.155 1.787 0.376 1.00 0.49 C ATOM 1035 NE2 HIS A 72 -8.867 2.902 -0.259 1.00 0.53 N ATOM 0 H HIS A 72 -5.679 2.972 -2.703 1.00 0.31 H new ATOM 0 HA HIS A 72 -4.114 1.596 -0.669 1.00 0.32 H new ATOM 0 HB2 HIS A 72 -6.355 0.106 -1.950 1.00 0.40 H new ATOM 0 HB3 HIS A 72 -5.754 0.029 -0.305 1.00 0.40 H new ATOM 0 HD1 HIS A 72 -8.156 -0.022 0.549 1.00 0.42 H new ATOM 0 HD2 HIS A 72 -7.150 3.484 -1.488 1.00 0.46 H new ATOM 0 HE1 HIS A 72 -10.041 1.611 0.969 1.00 0.49 H new ATOM 1044 N PHE A 73 -3.593 -0.488 -2.160 1.00 0.25 N ATOM 1045 CA PHE A 73 -2.965 -1.494 -2.991 1.00 0.25 C ATOM 1046 C PHE A 73 -3.367 -2.875 -2.479 1.00 0.25 C ATOM 1047 O PHE A 73 -2.866 -3.333 -1.462 1.00 0.30 O ATOM 1048 CB PHE A 73 -1.448 -1.329 -2.911 1.00 0.30 C ATOM 1049 CG PHE A 73 -0.919 -0.239 -3.797 1.00 0.43 C ATOM 1050 CD1 PHE A 73 -0.876 1.070 -3.348 1.00 0.75 C ATOM 1051 CD2 PHE A 73 -0.457 -0.521 -5.075 1.00 0.59 C ATOM 1052 CE1 PHE A 73 -0.386 2.078 -4.152 1.00 1.10 C ATOM 1053 CE2 PHE A 73 0.037 0.482 -5.882 1.00 0.88 C ATOM 1054 CZ PHE A 73 0.045 1.769 -5.451 1.00 1.13 C ATOM 0 H PHE A 73 -3.595 -0.732 -1.170 1.00 0.25 H new ATOM 0 HA PHE A 73 -3.284 -1.384 -4.028 1.00 0.25 H new ATOM 0 HB2 PHE A 73 -1.167 -1.117 -1.879 1.00 0.30 H new ATOM 0 HB3 PHE A 73 -0.973 -2.271 -3.184 1.00 0.30 H new ATOM 0 HD1 PHE A 73 -1.231 1.305 -2.355 1.00 0.75 H new ATOM 0 HD2 PHE A 73 -0.485 -1.537 -5.441 1.00 0.59 H new ATOM 0 HE1 PHE A 73 -0.335 3.093 -3.786 1.00 1.10 H new ATOM 0 HE2 PHE A 73 0.420 0.242 -6.863 1.00 0.88 H new ATOM 0 HZ PHE A 73 0.383 2.556 -6.109 1.00 1.13 H new ATOM 1064 N HIS A 74 -4.273 -3.541 -3.169 1.00 0.25 N ATOM 1065 CA HIS A 74 -4.801 -4.807 -2.670 1.00 0.30 C ATOM 1066 C HIS A 74 -4.176 -5.960 -3.420 1.00 0.31 C ATOM 1067 O HIS A 74 -4.266 -6.026 -4.640 1.00 0.50 O ATOM 1068 CB HIS A 74 -6.320 -4.894 -2.842 1.00 0.38 C ATOM 1069 CG HIS A 74 -7.121 -3.887 -2.080 1.00 0.37 C ATOM 1070 ND1 HIS A 74 -8.482 -3.776 -2.225 1.00 0.42 N ATOM 1071 CD2 HIS A 74 -6.770 -2.965 -1.149 1.00 0.40 C ATOM 1072 CE1 HIS A 74 -8.936 -2.845 -1.421 1.00 0.47 C ATOM 1073 NE2 HIS A 74 -7.921 -2.331 -0.750 1.00 0.45 N ATOM 0 H HIS A 74 -4.657 -3.237 -4.064 1.00 0.25 H new ATOM 0 HA HIS A 74 -4.559 -4.860 -1.608 1.00 0.30 H new ATOM 0 HB2 HIS A 74 -6.553 -4.789 -3.902 1.00 0.38 H new ATOM 0 HB3 HIS A 74 -6.644 -5.890 -2.542 1.00 0.38 H new ATOM 0 HD1 HIS A 74 -9.053 -4.333 -2.861 1.00 0.42 H new ATOM 0 HD2 HIS A 74 -5.771 -2.767 -0.789 1.00 0.40 H new ATOM 0 HE1 HIS A 74 -9.970 -2.547 -1.323 1.00 0.47 H new ATOM 1082 N VAL A 75 -3.553 -6.877 -2.710 1.00 0.25 N ATOM 1083 CA VAL A 75 -2.961 -8.017 -3.365 1.00 0.26 C ATOM 1084 C VAL A 75 -3.813 -9.262 -3.115 1.00 0.25 C ATOM 1085 O VAL A 75 -4.129 -9.627 -1.977 1.00 0.27 O ATOM 1086 CB VAL A 75 -1.477 -8.247 -2.946 1.00 0.33 C ATOM 1087 CG1 VAL A 75 -0.697 -6.940 -2.967 1.00 0.71 C ATOM 1088 CG2 VAL A 75 -1.369 -8.890 -1.585 1.00 0.87 C ATOM 0 H VAL A 75 -3.446 -6.855 -1.696 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.942 -7.811 -4.435 1.00 0.26 H new ATOM 0 HB VAL A 75 -1.043 -8.931 -3.676 1.00 0.33 H new ATOM 0 HG11 VAL A 75 0.335 -7.127 -2.671 1.00 0.71 H new ATOM 0 HG12 VAL A 75 -0.716 -6.521 -3.973 1.00 0.71 H new ATOM 0 HG13 VAL A 75 -1.151 -6.234 -2.272 1.00 0.71 H new ATOM 0 HG21 VAL A 75 -0.318 -9.032 -1.332 1.00 0.87 H new ATOM 0 HG22 VAL A 75 -1.838 -8.247 -0.840 1.00 0.87 H new ATOM 0 HG23 VAL A 75 -1.873 -9.856 -1.598 1.00 0.87 H new ATOM 1098 N THR A 76 -4.236 -9.882 -4.185 1.00 0.28 N ATOM 1099 CA THR A 76 -4.979 -11.108 -4.082 1.00 0.32 C ATOM 1100 C THR A 76 -4.042 -12.245 -4.413 1.00 0.34 C ATOM 1101 O THR A 76 -3.672 -12.430 -5.566 1.00 0.39 O ATOM 1102 CB THR A 76 -6.172 -11.128 -5.058 1.00 0.40 C ATOM 1103 OG1 THR A 76 -6.876 -9.881 -4.989 1.00 0.46 O ATOM 1104 CG2 THR A 76 -7.122 -12.271 -4.731 1.00 0.45 C ATOM 0 H THR A 76 -4.078 -9.557 -5.139 1.00 0.28 H new ATOM 0 HA THR A 76 -5.377 -11.203 -3.072 1.00 0.32 H new ATOM 0 HB THR A 76 -5.788 -11.276 -6.067 1.00 0.40 H new ATOM 0 HG1 THR A 76 -7.632 -9.897 -5.612 1.00 0.46 H new ATOM 0 HG21 THR A 76 -7.955 -12.264 -5.434 1.00 0.45 H new ATOM 0 HG22 THR A 76 -6.590 -13.219 -4.808 1.00 0.45 H new ATOM 0 HG23 THR A 76 -7.502 -12.150 -3.716 1.00 0.45 H new ATOM 1112 N VAL A 77 -3.616 -12.963 -3.391 1.00 0.36 N ATOM 1113 CA VAL A 77 -2.658 -14.038 -3.566 1.00 0.41 C ATOM 1114 C VAL A 77 -2.862 -15.115 -2.515 1.00 0.45 C ATOM 1115 O VAL A 77 -3.212 -14.816 -1.374 1.00 0.60 O ATOM 1116 CB VAL A 77 -1.203 -13.503 -3.489 1.00 0.53 C ATOM 1117 CG1 VAL A 77 -0.991 -12.686 -2.221 1.00 0.90 C ATOM 1118 CG2 VAL A 77 -0.187 -14.638 -3.555 1.00 1.04 C ATOM 0 H VAL A 77 -3.920 -12.820 -2.428 1.00 0.36 H new ATOM 0 HA VAL A 77 -2.821 -14.469 -4.554 1.00 0.41 H new ATOM 0 HB VAL A 77 -1.049 -12.857 -4.353 1.00 0.53 H new ATOM 0 HG11 VAL A 77 0.036 -12.322 -2.190 1.00 0.90 H new ATOM 0 HG12 VAL A 77 -1.677 -11.839 -2.215 1.00 0.90 H new ATOM 0 HG13 VAL A 77 -1.181 -13.312 -1.349 1.00 0.90 H new ATOM 0 HG21 VAL A 77 0.821 -14.228 -3.499 1.00 1.04 H new ATOM 0 HG22 VAL A 77 -0.349 -15.320 -2.720 1.00 1.04 H new ATOM 0 HG23 VAL A 77 -0.306 -15.179 -4.494 1.00 1.04 H new ATOM 1128 N LYS A 78 -2.690 -16.364 -2.914 1.00 0.39 N ATOM 1129 CA LYS A 78 -2.587 -17.448 -1.960 1.00 0.41 C ATOM 1130 C LYS A 78 -1.370 -18.302 -2.283 1.00 0.40 C ATOM 1131 O LYS A 78 -1.381 -19.100 -3.216 1.00 0.42 O ATOM 1132 CB LYS A 78 -3.878 -18.284 -1.908 1.00 0.48 C ATOM 1133 CG LYS A 78 -4.691 -18.319 -3.204 1.00 0.77 C ATOM 1134 CD LYS A 78 -4.113 -19.270 -4.245 1.00 0.61 C ATOM 1135 CE LYS A 78 -4.105 -20.712 -3.760 1.00 1.29 C ATOM 1136 NZ LYS A 78 -5.461 -21.189 -3.382 1.00 1.54 N ATOM 0 H LYS A 78 -2.619 -16.649 -3.891 1.00 0.39 H new ATOM 0 HA LYS A 78 -2.456 -17.025 -0.964 1.00 0.41 H new ATOM 0 HB2 LYS A 78 -3.618 -19.307 -1.635 1.00 0.48 H new ATOM 0 HB3 LYS A 78 -4.512 -17.893 -1.112 1.00 0.48 H new ATOM 0 HG2 LYS A 78 -5.714 -18.617 -2.976 1.00 0.77 H new ATOM 0 HG3 LYS A 78 -4.738 -17.314 -3.624 1.00 0.77 H new ATOM 0 HD2 LYS A 78 -4.696 -19.200 -5.163 1.00 0.61 H new ATOM 0 HD3 LYS A 78 -3.096 -18.964 -4.490 1.00 0.61 H new ATOM 0 HE2 LYS A 78 -3.702 -21.354 -4.543 1.00 1.29 H new ATOM 0 HE3 LYS A 78 -3.439 -20.800 -2.902 1.00 1.29 H new ATOM 0 HZ1 LYS A 78 -5.443 -22.221 -3.254 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 -5.753 -20.735 -2.493 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 -6.137 -20.945 -4.134 1.00 1.54 H new ATOM 1150 N ALA A 79 -0.309 -18.089 -1.522 1.00 0.39 N ATOM 1151 CA ALA A 79 0.937 -18.812 -1.705 1.00 0.40 C ATOM 1152 C ALA A 79 1.841 -18.577 -0.512 1.00 0.43 C ATOM 1153 O ALA A 79 1.836 -17.492 0.055 1.00 0.67 O ATOM 1154 CB ALA A 79 1.635 -18.375 -2.986 1.00 0.46 C ATOM 0 H ALA A 79 -0.288 -17.410 -0.761 1.00 0.39 H new ATOM 0 HA ALA A 79 0.714 -19.876 -1.787 1.00 0.40 H new ATOM 0 HB1 ALA A 79 2.566 -18.931 -3.101 1.00 0.46 H new ATOM 0 HB2 ALA A 79 0.986 -18.573 -3.839 1.00 0.46 H new ATOM 0 HB3 ALA A 79 1.853 -17.308 -2.936 1.00 0.46 H new ATOM 1160 N ALA A 80 2.619 -19.587 -0.142 1.00 0.34 N ATOM 1161 CA ALA A 80 3.533 -19.473 0.988 1.00 0.33 C ATOM 1162 C ALA A 80 4.753 -18.636 0.616 1.00 0.34 C ATOM 1163 O ALA A 80 5.764 -19.158 0.135 1.00 0.44 O ATOM 1164 CB ALA A 80 3.949 -20.852 1.478 1.00 0.37 C ATOM 0 H ALA A 80 2.635 -20.494 -0.608 1.00 0.34 H new ATOM 0 HA ALA A 80 3.013 -18.965 1.800 1.00 0.33 H new ATOM 0 HB1 ALA A 80 4.631 -20.748 2.322 1.00 0.37 H new ATOM 0 HB2 ALA A 80 3.066 -21.408 1.792 1.00 0.37 H new ATOM 0 HB3 ALA A 80 4.448 -21.389 0.672 1.00 0.37 H new ATOM 1170 N GLY A 81 4.641 -17.338 0.834 1.00 0.28 N ATOM 1171 CA GLY A 81 5.703 -16.417 0.495 1.00 0.29 C ATOM 1172 C GLY A 81 5.651 -15.196 1.376 1.00 0.25 C ATOM 1173 O GLY A 81 4.666 -14.974 2.060 1.00 0.26 O ATOM 0 H GLY A 81 3.818 -16.899 1.247 1.00 0.28 H new ATOM 0 HA2 GLY A 81 6.668 -16.911 0.606 1.00 0.29 H new ATOM 0 HA3 GLY A 81 5.615 -16.121 -0.550 1.00 0.29 H new ATOM 1177 N THR A 82 6.688 -14.399 1.372 1.00 0.26 N ATOM 1178 CA THR A 82 6.695 -13.219 2.211 1.00 0.25 C ATOM 1179 C THR A 82 6.406 -11.982 1.366 1.00 0.25 C ATOM 1180 O THR A 82 6.980 -11.800 0.294 1.00 0.30 O ATOM 1181 CB THR A 82 8.038 -13.060 2.941 1.00 0.32 C ATOM 1182 OG1 THR A 82 8.630 -14.353 3.155 1.00 0.40 O ATOM 1183 CG2 THR A 82 7.823 -12.373 4.282 1.00 0.36 C ATOM 0 H THR A 82 7.527 -14.537 0.809 1.00 0.26 H new ATOM 0 HA THR A 82 5.916 -13.333 2.965 1.00 0.25 H new ATOM 0 HB THR A 82 8.704 -12.452 2.329 1.00 0.32 H new ATOM 0 HG1 THR A 82 9.487 -14.248 3.619 1.00 0.40 H new ATOM 0 HG21 THR A 82 8.780 -12.264 4.793 1.00 0.36 H new ATOM 0 HG22 THR A 82 7.384 -11.388 4.120 1.00 0.36 H new ATOM 0 HG23 THR A 82 7.151 -12.974 4.895 1.00 0.36 H new ATOM 1191 N HIS A 83 5.493 -11.150 1.842 1.00 0.24 N ATOM 1192 CA HIS A 83 5.037 -9.998 1.083 1.00 0.25 C ATOM 1193 C HIS A 83 5.649 -8.714 1.639 1.00 0.24 C ATOM 1194 O HIS A 83 5.229 -8.216 2.685 1.00 0.24 O ATOM 1195 CB HIS A 83 3.504 -9.889 1.129 1.00 0.27 C ATOM 1196 CG HIS A 83 2.936 -9.077 0.001 1.00 0.31 C ATOM 1197 ND1 HIS A 83 3.054 -7.707 -0.067 1.00 0.40 N ATOM 1198 CD2 HIS A 83 2.267 -9.451 -1.116 1.00 0.37 C ATOM 1199 CE1 HIS A 83 2.485 -7.264 -1.174 1.00 0.40 C ATOM 1200 NE2 HIS A 83 2.000 -8.306 -1.831 1.00 0.39 N ATOM 0 H HIS A 83 5.052 -11.253 2.756 1.00 0.24 H new ATOM 0 HA HIS A 83 5.356 -10.132 0.049 1.00 0.25 H new ATOM 0 HB2 HIS A 83 3.074 -10.890 1.100 1.00 0.27 H new ATOM 0 HB3 HIS A 83 3.206 -9.441 2.077 1.00 0.27 H new ATOM 0 HD2 HIS A 83 1.994 -10.459 -1.393 1.00 0.37 H new ATOM 0 HE1 HIS A 83 2.426 -6.232 -1.488 1.00 0.40 H new ATOM 0 HE2 HIS A 83 1.508 -8.266 -2.723 1.00 0.39 H new ATOM 1209 N ALA A 84 6.608 -8.157 0.923 1.00 0.25 N ATOM 1210 CA ALA A 84 7.228 -6.909 1.339 1.00 0.25 C ATOM 1211 C ALA A 84 6.645 -5.765 0.531 1.00 0.25 C ATOM 1212 O ALA A 84 6.790 -5.712 -0.688 1.00 0.35 O ATOM 1213 CB ALA A 84 8.738 -6.975 1.168 1.00 0.31 C ATOM 0 H ALA A 84 6.975 -8.545 0.054 1.00 0.25 H new ATOM 0 HA ALA A 84 7.021 -6.742 2.396 1.00 0.25 H new ATOM 0 HB1 ALA A 84 9.182 -6.031 1.485 1.00 0.31 H new ATOM 0 HB2 ALA A 84 9.138 -7.786 1.776 1.00 0.31 H new ATOM 0 HB3 ALA A 84 8.978 -7.155 0.120 1.00 0.31 H new ATOM 1219 N VAL A 85 5.954 -4.870 1.215 1.00 0.22 N ATOM 1220 CA VAL A 85 5.216 -3.815 0.545 1.00 0.23 C ATOM 1221 C VAL A 85 5.907 -2.477 0.698 1.00 0.22 C ATOM 1222 O VAL A 85 5.883 -1.881 1.777 1.00 0.25 O ATOM 1223 CB VAL A 85 3.792 -3.682 1.102 1.00 0.26 C ATOM 1224 CG1 VAL A 85 2.928 -2.884 0.142 1.00 0.50 C ATOM 1225 CG2 VAL A 85 3.194 -5.048 1.390 1.00 0.59 C ATOM 0 H VAL A 85 5.889 -4.853 2.233 1.00 0.22 H new ATOM 0 HA VAL A 85 5.174 -4.092 -0.508 1.00 0.23 H new ATOM 0 HB VAL A 85 3.833 -3.141 2.048 1.00 0.26 H new ATOM 0 HG11 VAL A 85 1.920 -2.796 0.547 1.00 0.50 H new ATOM 0 HG12 VAL A 85 3.354 -1.890 0.010 1.00 0.50 H new ATOM 0 HG13 VAL A 85 2.889 -3.393 -0.821 1.00 0.50 H new ATOM 0 HG21 VAL A 85 2.185 -4.928 1.784 1.00 0.59 H new ATOM 0 HG22 VAL A 85 3.157 -5.631 0.469 1.00 0.59 H new ATOM 0 HG23 VAL A 85 3.810 -5.568 2.124 1.00 0.59 H new ATOM 1235 N ASN A 86 6.527 -2.015 -0.376 1.00 0.22 N ATOM 1236 CA ASN A 86 7.166 -0.708 -0.382 1.00 0.22 C ATOM 1237 C ASN A 86 6.422 0.213 -1.325 1.00 0.20 C ATOM 1238 O ASN A 86 6.573 0.137 -2.541 1.00 0.24 O ATOM 1239 CB ASN A 86 8.631 -0.815 -0.818 1.00 0.28 C ATOM 1240 CG ASN A 86 9.422 -1.850 -0.041 1.00 0.85 C ATOM 1241 OD1 ASN A 86 9.002 -2.140 1.178 1.00 1.53 O flip ATOM 1242 ND2 ASN A 86 10.398 -2.403 -0.546 1.00 0.94 N flip ATOM 0 H ASN A 86 6.602 -2.526 -1.256 1.00 0.22 H new ATOM 0 HA ASN A 86 7.138 -0.305 0.630 1.00 0.22 H new ATOM 0 HB2 ASN A 86 8.668 -1.063 -1.879 1.00 0.28 H new ATOM 0 HB3 ASN A 86 9.108 0.158 -0.701 1.00 0.28 H new ATOM 0 HD21 ASN A 86 10.694 -2.154 -1.490 1.00 0.94 H new ATOM 0 HD22 ASN A 86 10.911 -3.111 -0.021 1.00 0.94 H new ATOM 1249 N LEU A 87 5.628 1.093 -0.754 1.00 0.18 N ATOM 1250 CA LEU A 87 4.819 2.007 -1.533 1.00 0.19 C ATOM 1251 C LEU A 87 5.399 3.405 -1.434 1.00 0.18 C ATOM 1252 O LEU A 87 5.557 3.932 -0.345 1.00 0.18 O ATOM 1253 CB LEU A 87 3.375 1.971 -1.032 1.00 0.20 C ATOM 1254 CG LEU A 87 2.681 0.611 -1.174 1.00 0.21 C ATOM 1255 CD1 LEU A 87 1.285 0.662 -0.588 1.00 0.24 C ATOM 1256 CD2 LEU A 87 2.626 0.208 -2.631 1.00 0.22 C ATOM 0 H LEU A 87 5.525 1.195 0.256 1.00 0.18 H new ATOM 0 HA LEU A 87 4.823 1.707 -2.581 1.00 0.19 H new ATOM 0 HB2 LEU A 87 3.362 2.262 0.018 1.00 0.20 H new ATOM 0 HB3 LEU A 87 2.797 2.717 -1.577 1.00 0.20 H new ATOM 0 HG LEU A 87 3.256 -0.133 -0.623 1.00 0.21 H new ATOM 0 HD11 LEU A 87 0.808 -0.312 -0.698 1.00 0.24 H new ATOM 0 HD12 LEU A 87 1.343 0.920 0.469 1.00 0.24 H new ATOM 0 HD13 LEU A 87 0.697 1.415 -1.113 1.00 0.24 H new ATOM 0 HD21 LEU A 87 2.132 -0.759 -2.723 1.00 0.22 H new ATOM 0 HD22 LEU A 87 2.068 0.956 -3.195 1.00 0.22 H new ATOM 0 HD23 LEU A 87 3.639 0.137 -3.027 1.00 0.22 H new ATOM 1268 N THR A 88 5.715 4.001 -2.564 1.00 0.21 N ATOM 1269 CA THR A 88 6.452 5.248 -2.575 1.00 0.21 C ATOM 1270 C THR A 88 5.538 6.432 -2.871 1.00 0.21 C ATOM 1271 O THR A 88 4.754 6.415 -3.818 1.00 0.29 O ATOM 1272 CB THR A 88 7.588 5.187 -3.608 1.00 0.25 C ATOM 1273 OG1 THR A 88 8.246 3.921 -3.507 1.00 0.29 O ATOM 1274 CG2 THR A 88 8.602 6.296 -3.374 1.00 0.29 C ATOM 0 H THR A 88 5.473 3.642 -3.488 1.00 0.21 H new ATOM 0 HA THR A 88 6.879 5.391 -1.582 1.00 0.21 H new ATOM 0 HB THR A 88 7.159 5.316 -4.602 1.00 0.25 H new ATOM 0 HG1 THR A 88 7.968 3.348 -4.251 1.00 0.29 H new ATOM 0 HG21 THR A 88 9.394 6.228 -4.120 1.00 0.29 H new ATOM 0 HG22 THR A 88 8.108 7.264 -3.457 1.00 0.29 H new ATOM 0 HG23 THR A 88 9.032 6.192 -2.378 1.00 0.29 H new ATOM 1282 N TYR A 89 5.650 7.453 -2.045 1.00 0.24 N ATOM 1283 CA TYR A 89 4.813 8.632 -2.148 1.00 0.27 C ATOM 1284 C TYR A 89 5.539 9.713 -2.946 1.00 0.27 C ATOM 1285 O TYR A 89 6.187 10.589 -2.371 1.00 0.30 O ATOM 1286 CB TYR A 89 4.463 9.133 -0.737 1.00 0.37 C ATOM 1287 CG TYR A 89 3.358 10.161 -0.699 1.00 0.45 C ATOM 1288 CD1 TYR A 89 2.029 9.778 -0.737 1.00 0.68 C ATOM 1289 CD2 TYR A 89 3.644 11.510 -0.633 1.00 1.00 C ATOM 1290 CE1 TYR A 89 1.013 10.711 -0.722 1.00 0.69 C ATOM 1291 CE2 TYR A 89 2.634 12.448 -0.612 1.00 1.11 C ATOM 1292 CZ TYR A 89 1.323 12.044 -0.657 1.00 0.68 C ATOM 1293 OH TYR A 89 0.319 12.983 -0.666 1.00 0.80 O ATOM 0 H TYR A 89 6.326 7.489 -1.282 1.00 0.24 H new ATOM 0 HA TYR A 89 3.889 8.385 -2.670 1.00 0.27 H new ATOM 0 HB2 TYR A 89 4.172 8.281 -0.123 1.00 0.37 H new ATOM 0 HB3 TYR A 89 5.357 9.561 -0.284 1.00 0.37 H new ATOM 0 HD1 TYR A 89 1.782 8.727 -0.779 1.00 0.68 H new ATOM 0 HD2 TYR A 89 4.673 11.835 -0.597 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -0.018 10.393 -0.761 1.00 0.69 H new ATOM 0 HE2 TYR A 89 2.874 13.500 -0.560 1.00 1.11 H new ATOM 0 HH TYR A 89 0.190 13.315 -1.579 1.00 0.80 H new ATOM 1303 N MET A 90 5.434 9.649 -4.272 1.00 0.29 N ATOM 1304 CA MET A 90 6.165 10.572 -5.145 1.00 0.34 C ATOM 1305 C MET A 90 5.195 11.340 -6.012 1.00 0.38 C ATOM 1306 O MET A 90 4.006 11.043 -6.042 1.00 0.47 O ATOM 1307 CB MET A 90 7.119 9.850 -6.099 1.00 0.37 C ATOM 1308 CG MET A 90 7.835 8.658 -5.513 1.00 0.36 C ATOM 1309 SD MET A 90 8.914 7.860 -6.721 1.00 0.65 S ATOM 1310 CE MET A 90 7.742 7.429 -8.011 1.00 0.54 C ATOM 0 H MET A 90 4.853 8.972 -4.766 1.00 0.29 H new ATOM 0 HA MET A 90 6.734 11.225 -4.483 1.00 0.34 H new ATOM 0 HB2 MET A 90 6.555 9.521 -6.972 1.00 0.37 H new ATOM 0 HB3 MET A 90 7.864 10.564 -6.451 1.00 0.37 H new ATOM 0 HG2 MET A 90 8.425 8.975 -4.653 1.00 0.36 H new ATOM 0 HG3 MET A 90 7.103 7.938 -5.149 1.00 0.36 H new ATOM 0 HE1 MET A 90 8.283 7.109 -8.902 1.00 0.54 H new ATOM 0 HE2 MET A 90 7.101 6.618 -7.664 1.00 0.54 H new ATOM 0 HE3 MET A 90 7.130 8.298 -8.251 1.00 0.54 H new ATOM 1320 N ARG A 91 5.706 12.301 -6.758 1.00 0.40 N ATOM 1321 CA ARG A 91 4.902 12.973 -7.766 1.00 0.49 C ATOM 1322 C ARG A 91 4.974 12.176 -9.067 1.00 0.58 C ATOM 1323 O ARG A 91 6.025 12.088 -9.681 1.00 0.65 O ATOM 1324 CB ARG A 91 5.402 14.402 -7.997 1.00 0.55 C ATOM 1325 CG ARG A 91 4.288 15.435 -8.062 1.00 0.67 C ATOM 1326 CD ARG A 91 4.782 16.785 -8.568 1.00 0.79 C ATOM 1327 NE ARG A 91 5.811 17.370 -7.708 1.00 1.37 N ATOM 1328 CZ ARG A 91 5.628 18.474 -6.981 1.00 1.71 C ATOM 1329 NH1 ARG A 91 4.444 19.073 -6.965 1.00 1.74 N ATOM 1330 NH2 ARG A 91 6.628 18.978 -6.268 1.00 2.59 N ATOM 0 H ARG A 91 6.668 12.634 -6.688 1.00 0.40 H new ATOM 0 HA ARG A 91 3.869 13.030 -7.421 1.00 0.49 H new ATOM 0 HB2 ARG A 91 6.089 14.671 -7.195 1.00 0.55 H new ATOM 0 HB3 ARG A 91 5.970 14.433 -8.927 1.00 0.55 H new ATOM 0 HG2 ARG A 91 3.496 15.072 -8.717 1.00 0.67 H new ATOM 0 HG3 ARG A 91 3.851 15.558 -7.071 1.00 0.67 H new ATOM 0 HD2 ARG A 91 5.181 16.667 -9.575 1.00 0.79 H new ATOM 0 HD3 ARG A 91 3.939 17.473 -8.638 1.00 0.79 H new ATOM 0 HE ARG A 91 6.719 16.908 -7.662 1.00 1.37 H new ATOM 0 HH11 ARG A 91 3.671 18.690 -7.509 1.00 1.74 H new ATOM 0 HH12 ARG A 91 4.307 19.917 -6.408 1.00 1.74 H new ATOM 0 HH21 ARG A 91 7.540 18.521 -6.275 1.00 2.59 H new ATOM 0 HH22 ARG A 91 6.484 19.822 -5.714 1.00 2.59 H new ATOM 1344 N PRO A 92 3.846 11.603 -9.495 1.00 0.67 N ATOM 1345 CA PRO A 92 3.791 10.586 -10.566 1.00 0.81 C ATOM 1346 C PRO A 92 4.536 10.937 -11.863 1.00 0.91 C ATOM 1347 O PRO A 92 4.976 10.042 -12.584 1.00 1.04 O ATOM 1348 CB PRO A 92 2.289 10.436 -10.843 1.00 0.92 C ATOM 1349 CG PRO A 92 1.628 11.563 -10.119 1.00 0.88 C ATOM 1350 CD PRO A 92 2.511 11.878 -8.956 1.00 0.72 C ATOM 0 HA PRO A 92 4.297 9.679 -10.234 1.00 0.81 H new ATOM 0 HB2 PRO A 92 2.082 10.483 -11.912 1.00 0.92 H new ATOM 0 HB3 PRO A 92 1.920 9.473 -10.489 1.00 0.92 H new ATOM 0 HG2 PRO A 92 1.514 12.431 -10.769 1.00 0.88 H new ATOM 0 HG3 PRO A 92 0.629 11.281 -9.786 1.00 0.88 H new ATOM 0 HD2 PRO A 92 2.407 12.915 -8.636 1.00 0.72 H new ATOM 0 HD3 PRO A 92 2.284 11.253 -8.092 1.00 0.72 H new ATOM 1358 N TRP A 93 4.679 12.220 -12.170 1.00 0.90 N ATOM 1359 CA TRP A 93 5.320 12.626 -13.420 1.00 1.03 C ATOM 1360 C TRP A 93 6.746 13.130 -13.195 1.00 1.03 C ATOM 1361 O TRP A 93 7.365 13.685 -14.104 1.00 1.17 O ATOM 1362 CB TRP A 93 4.486 13.698 -14.129 1.00 1.08 C ATOM 1363 CG TRP A 93 4.151 14.878 -13.268 1.00 0.98 C ATOM 1364 CD1 TRP A 93 4.876 16.023 -13.124 1.00 1.01 C ATOM 1365 CD2 TRP A 93 2.995 15.026 -12.440 1.00 0.93 C ATOM 1366 NE1 TRP A 93 4.245 16.871 -12.247 1.00 0.98 N ATOM 1367 CE2 TRP A 93 3.085 16.282 -11.815 1.00 0.94 C ATOM 1368 CE3 TRP A 93 1.895 14.214 -12.166 1.00 0.93 C ATOM 1369 CZ2 TRP A 93 2.110 16.745 -10.933 1.00 0.98 C ATOM 1370 CZ3 TRP A 93 0.930 14.670 -11.292 1.00 0.96 C ATOM 1371 CH2 TRP A 93 1.043 15.925 -10.682 1.00 0.99 C ATOM 0 H TRP A 93 4.365 12.991 -11.581 1.00 0.90 H new ATOM 0 HA TRP A 93 5.379 11.742 -14.054 1.00 1.03 H new ATOM 0 HB2 TRP A 93 5.030 14.045 -15.007 1.00 1.08 H new ATOM 0 HB3 TRP A 93 3.560 13.247 -14.485 1.00 1.08 H new ATOM 0 HD1 TRP A 93 5.809 16.233 -13.626 1.00 1.01 H new ATOM 0 HE1 TRP A 93 4.584 17.790 -11.963 1.00 0.98 H new ATOM 0 HE3 TRP A 93 1.800 13.244 -12.631 1.00 0.93 H new ATOM 0 HZ2 TRP A 93 2.193 17.715 -10.465 1.00 0.98 H new ATOM 0 HZ3 TRP A 93 0.074 14.049 -11.075 1.00 0.96 H new ATOM 0 HH2 TRP A 93 0.273 16.253 -10.000 1.00 0.99 H new ATOM 1382 N THR A 94 7.273 12.930 -11.994 1.00 0.91 N ATOM 1383 CA THR A 94 8.621 13.387 -11.673 1.00 0.95 C ATOM 1384 C THR A 94 9.123 12.749 -10.375 1.00 0.86 C ATOM 1385 O THR A 94 10.102 12.004 -10.388 1.00 1.07 O ATOM 1386 CB THR A 94 8.688 14.938 -11.590 1.00 0.98 C ATOM 1387 OG1 THR A 94 9.938 15.372 -11.033 1.00 1.09 O ATOM 1388 CG2 THR A 94 7.539 15.508 -10.765 1.00 0.85 C ATOM 0 H THR A 94 6.792 12.457 -11.229 1.00 0.91 H new ATOM 0 HA THR A 94 9.278 13.069 -12.483 1.00 0.95 H new ATOM 0 HB THR A 94 8.602 15.313 -12.610 1.00 0.98 H new ATOM 0 HG1 THR A 94 9.956 16.351 -10.993 1.00 1.09 H new ATOM 0 HG21 THR A 94 7.620 16.594 -10.730 1.00 0.85 H new ATOM 0 HG22 THR A 94 6.590 15.230 -11.222 1.00 0.85 H new ATOM 0 HG23 THR A 94 7.585 15.108 -9.752 1.00 0.85 H new ATOM 1396 N GLY A 95 8.433 13.025 -9.272 1.00 0.64 N ATOM 1397 CA GLY A 95 8.824 12.495 -7.981 1.00 0.60 C ATOM 1398 C GLY A 95 10.195 12.971 -7.562 1.00 0.70 C ATOM 1399 O GLY A 95 11.179 12.251 -7.735 1.00 1.16 O ATOM 0 H GLY A 95 7.600 13.614 -9.252 1.00 0.64 H new ATOM 0 HA2 GLY A 95 8.092 12.794 -7.230 1.00 0.60 H new ATOM 0 HA3 GLY A 95 8.815 11.406 -8.019 1.00 0.60 H new ATOM 1403 N PRO A 96 10.279 14.213 -7.053 1.00 0.64 N ATOM 1404 CA PRO A 96 11.506 14.785 -6.499 1.00 0.90 C ATOM 1405 C PRO A 96 12.351 13.752 -5.757 1.00 0.98 C ATOM 1406 O PRO A 96 11.848 13.053 -4.869 1.00 1.17 O ATOM 1407 CB PRO A 96 10.965 15.842 -5.547 1.00 1.02 C ATOM 1408 CG PRO A 96 9.723 16.333 -6.204 1.00 1.20 C ATOM 1409 CD PRO A 96 9.169 15.180 -7.000 1.00 0.97 C ATOM 0 HA PRO A 96 12.176 15.175 -7.265 1.00 0.90 H new ATOM 0 HB2 PRO A 96 10.754 15.421 -4.564 1.00 1.02 H new ATOM 0 HB3 PRO A 96 11.683 16.649 -5.401 1.00 1.02 H new ATOM 0 HG2 PRO A 96 9.001 16.673 -5.462 1.00 1.20 H new ATOM 0 HG3 PRO A 96 9.938 17.183 -6.852 1.00 1.20 H new ATOM 0 HD2 PRO A 96 8.289 14.751 -6.520 1.00 0.97 H new ATOM 0 HD3 PRO A 96 8.866 15.494 -7.999 1.00 0.97 H new ATOM 1417 N SER A 97 13.630 13.695 -6.135 1.00 1.20 N ATOM 1418 CA SER A 97 14.567 12.650 -5.713 1.00 1.48 C ATOM 1419 C SER A 97 14.345 12.154 -4.285 1.00 1.31 C ATOM 1420 O SER A 97 14.004 10.988 -4.075 1.00 1.86 O ATOM 1421 CB SER A 97 15.999 13.160 -5.878 1.00 2.04 C ATOM 1422 OG SER A 97 16.120 14.493 -5.406 1.00 2.64 O ATOM 0 H SER A 97 14.052 14.387 -6.755 1.00 1.20 H new ATOM 0 HA SER A 97 14.386 11.789 -6.356 1.00 1.48 H new ATOM 0 HB2 SER A 97 16.685 12.513 -5.331 1.00 2.04 H new ATOM 0 HB3 SER A 97 16.287 13.114 -6.928 1.00 2.04 H new ATOM 0 HG SER A 97 17.044 14.798 -5.520 1.00 2.64 H new ATOM 1428 N HIS A 98 14.529 13.020 -3.303 1.00 1.20 N ATOM 1429 CA HIS A 98 14.372 12.605 -1.920 1.00 1.22 C ATOM 1430 C HIS A 98 13.348 13.481 -1.208 1.00 0.98 C ATOM 1431 O HIS A 98 13.477 13.762 -0.016 1.00 1.07 O ATOM 1432 CB HIS A 98 15.718 12.646 -1.186 1.00 1.58 C ATOM 1433 CG HIS A 98 15.787 11.708 -0.016 1.00 2.34 C ATOM 1434 ND1 HIS A 98 15.599 12.105 1.289 1.00 3.02 N ATOM 1435 CD2 HIS A 98 16.026 10.376 0.035 1.00 3.23 C ATOM 1436 CE1 HIS A 98 15.721 11.063 2.087 1.00 3.95 C ATOM 1437 NE2 HIS A 98 15.978 10.000 1.352 1.00 4.09 N ATOM 0 H HIS A 98 14.783 13.999 -3.434 1.00 1.20 H new ATOM 0 HA HIS A 98 14.008 11.577 -1.913 1.00 1.22 H new ATOM 0 HB2 HIS A 98 16.514 12.399 -1.888 1.00 1.58 H new ATOM 0 HB3 HIS A 98 15.904 13.662 -0.839 1.00 1.58 H new ATOM 0 HD2 HIS A 98 16.219 9.729 -0.808 1.00 3.23 H new ATOM 0 HE1 HIS A 98 15.626 11.078 3.163 1.00 3.95 H new ATOM 0 HE2 HIS A 98 16.118 9.053 1.705 1.00 4.09 H new ATOM 1446 N ASP A 99 12.333 13.921 -1.941 1.00 0.79 N ATOM 1447 CA ASP A 99 11.249 14.692 -1.340 1.00 0.79 C ATOM 1448 C ASP A 99 10.007 13.814 -1.255 1.00 0.77 C ATOM 1449 O ASP A 99 8.976 14.193 -0.693 1.00 1.35 O ATOM 1450 CB ASP A 99 10.962 15.952 -2.158 1.00 0.96 C ATOM 1451 CG ASP A 99 10.144 16.974 -1.387 1.00 1.18 C ATOM 1452 OD1 ASP A 99 10.256 17.021 -0.148 1.00 1.35 O ATOM 1453 OD2 ASP A 99 9.373 17.727 -2.019 1.00 1.67 O ATOM 0 H ASP A 99 12.236 13.760 -2.944 1.00 0.79 H new ATOM 0 HA ASP A 99 11.542 15.008 -0.339 1.00 0.79 H new ATOM 0 HB2 ASP A 99 11.905 16.404 -2.466 1.00 0.96 H new ATOM 0 HB3 ASP A 99 10.429 15.677 -3.068 1.00 0.96 H new ATOM 1458 N SER A 100 10.142 12.625 -1.812 1.00 0.51 N ATOM 1459 CA SER A 100 9.078 11.645 -1.831 1.00 0.45 C ATOM 1460 C SER A 100 9.141 10.771 -0.578 1.00 0.46 C ATOM 1461 O SER A 100 10.228 10.440 -0.101 1.00 0.69 O ATOM 1462 CB SER A 100 9.220 10.791 -3.091 1.00 0.55 C ATOM 1463 OG SER A 100 9.270 11.610 -4.254 1.00 1.39 O ATOM 0 H SER A 100 11.000 12.312 -2.266 1.00 0.51 H new ATOM 0 HA SER A 100 8.111 12.148 -1.840 1.00 0.45 H new ATOM 0 HB2 SER A 100 10.125 10.188 -3.027 1.00 0.55 H new ATOM 0 HB3 SER A 100 8.381 10.100 -3.164 1.00 0.55 H new ATOM 0 HG SER A 100 10.164 12.003 -4.339 1.00 1.39 H new ATOM 1469 N GLU A 101 7.979 10.415 -0.042 1.00 0.35 N ATOM 1470 CA GLU A 101 7.906 9.562 1.144 1.00 0.40 C ATOM 1471 C GLU A 101 7.788 8.104 0.702 1.00 0.40 C ATOM 1472 O GLU A 101 7.757 7.827 -0.496 1.00 0.68 O ATOM 1473 CB GLU A 101 6.702 9.958 2.011 1.00 0.46 C ATOM 1474 CG GLU A 101 6.783 9.454 3.444 1.00 0.62 C ATOM 1475 CD GLU A 101 5.507 9.692 4.224 1.00 1.06 C ATOM 1476 OE1 GLU A 101 4.958 10.809 4.155 1.00 1.19 O ATOM 1477 OE2 GLU A 101 5.050 8.757 4.912 1.00 1.91 O ATOM 0 H GLU A 101 7.072 10.703 -0.409 1.00 0.35 H new ATOM 0 HA GLU A 101 8.810 9.688 1.740 1.00 0.40 H new ATOM 0 HB2 GLU A 101 6.617 11.045 2.023 1.00 0.46 H new ATOM 0 HB3 GLU A 101 5.793 9.572 1.551 1.00 0.46 H new ATOM 0 HG2 GLU A 101 7.005 8.387 3.437 1.00 0.62 H new ATOM 0 HG3 GLU A 101 7.611 9.948 3.952 1.00 0.62 H new ATOM 1484 N ARG A 102 7.723 7.168 1.642 1.00 0.22 N ATOM 1485 CA ARG A 102 7.576 5.766 1.285 1.00 0.18 C ATOM 1486 C ARG A 102 7.080 4.941 2.465 1.00 0.17 C ATOM 1487 O ARG A 102 7.438 5.180 3.617 1.00 0.20 O ATOM 1488 CB ARG A 102 8.905 5.205 0.756 1.00 0.23 C ATOM 1489 CG ARG A 102 8.754 3.933 -0.066 1.00 0.26 C ATOM 1490 CD ARG A 102 10.064 3.535 -0.725 1.00 0.36 C ATOM 1491 NE ARG A 102 9.864 2.585 -1.823 1.00 0.37 N ATOM 1492 CZ ARG A 102 10.734 1.635 -2.156 1.00 0.44 C ATOM 1493 NH1 ARG A 102 11.857 1.490 -1.463 1.00 0.62 N ATOM 1494 NH2 ARG A 102 10.479 0.841 -3.190 1.00 0.52 N ATOM 0 H ARG A 102 7.769 7.353 2.644 1.00 0.22 H new ATOM 0 HA ARG A 102 6.828 5.699 0.495 1.00 0.18 H new ATOM 0 HB2 ARG A 102 9.391 5.965 0.145 1.00 0.23 H new ATOM 0 HB3 ARG A 102 9.565 5.004 1.600 1.00 0.23 H new ATOM 0 HG2 ARG A 102 8.408 3.123 0.576 1.00 0.26 H new ATOM 0 HG3 ARG A 102 7.992 4.081 -0.831 1.00 0.26 H new ATOM 0 HD2 ARG A 102 10.564 4.426 -1.104 1.00 0.36 H new ATOM 0 HD3 ARG A 102 10.724 3.092 0.021 1.00 0.36 H new ATOM 0 HE ARG A 102 9.004 2.657 -2.366 1.00 0.37 H new ATOM 0 HH11 ARG A 102 12.053 2.107 -0.675 1.00 0.62 H new ATOM 0 HH12 ARG A 102 12.524 0.762 -1.719 1.00 0.62 H new ATOM 0 HH21 ARG A 102 9.619 0.961 -3.725 1.00 0.52 H new ATOM 0 HH22 ARG A 102 11.143 0.111 -3.449 1.00 0.52 H new ATOM 1508 N PHE A 103 6.232 3.989 2.140 1.00 0.15 N ATOM 1509 CA PHE A 103 5.625 3.086 3.092 1.00 0.17 C ATOM 1510 C PHE A 103 6.280 1.722 2.979 1.00 0.18 C ATOM 1511 O PHE A 103 6.800 1.375 1.916 1.00 0.21 O ATOM 1512 CB PHE A 103 4.121 3.004 2.788 1.00 0.18 C ATOM 1513 CG PHE A 103 3.462 1.727 3.183 1.00 0.35 C ATOM 1514 CD1 PHE A 103 3.415 0.663 2.309 1.00 0.51 C ATOM 1515 CD2 PHE A 103 2.896 1.594 4.437 1.00 0.55 C ATOM 1516 CE1 PHE A 103 2.810 -0.514 2.677 1.00 0.75 C ATOM 1517 CE2 PHE A 103 2.293 0.420 4.811 1.00 0.78 C ATOM 1518 CZ PHE A 103 2.239 -0.638 3.903 1.00 0.86 C ATOM 0 H PHE A 103 5.938 3.818 1.178 1.00 0.15 H new ATOM 0 HA PHE A 103 5.764 3.445 4.112 1.00 0.17 H new ATOM 0 HB2 PHE A 103 3.618 3.826 3.297 1.00 0.18 H new ATOM 0 HB3 PHE A 103 3.974 3.154 1.718 1.00 0.18 H new ATOM 0 HD1 PHE A 103 3.857 0.755 1.328 1.00 0.51 H new ATOM 0 HD2 PHE A 103 2.929 2.422 5.129 1.00 0.55 H new ATOM 0 HE1 PHE A 103 2.788 -1.345 1.988 1.00 0.75 H new ATOM 0 HE2 PHE A 103 1.865 0.316 5.797 1.00 0.78 H new ATOM 0 HZ PHE A 103 1.742 -1.557 4.176 1.00 0.86 H new ATOM 1528 N THR A 104 6.254 0.944 4.050 1.00 0.17 N ATOM 1529 CA THR A 104 6.851 -0.371 4.027 1.00 0.19 C ATOM 1530 C THR A 104 6.265 -1.254 5.118 1.00 0.17 C ATOM 1531 O THR A 104 6.612 -1.122 6.292 1.00 0.18 O ATOM 1532 CB THR A 104 8.389 -0.303 4.199 1.00 0.24 C ATOM 1533 OG1 THR A 104 8.991 0.337 3.061 1.00 0.31 O ATOM 1534 CG2 THR A 104 8.984 -1.697 4.370 1.00 0.26 C ATOM 0 H THR A 104 5.827 1.204 4.939 1.00 0.17 H new ATOM 0 HA THR A 104 6.627 -0.803 3.052 1.00 0.19 H new ATOM 0 HB THR A 104 8.598 0.279 5.097 1.00 0.24 H new ATOM 0 HG1 THR A 104 8.306 0.506 2.381 1.00 0.31 H new ATOM 0 HG21 THR A 104 10.065 -1.619 4.489 1.00 0.26 H new ATOM 0 HG22 THR A 104 8.555 -2.170 5.253 1.00 0.26 H new ATOM 0 HG23 THR A 104 8.758 -2.299 3.490 1.00 0.26 H new ATOM 1542 N VAL A 105 5.368 -2.148 4.736 1.00 0.17 N ATOM 1543 CA VAL A 105 4.948 -3.187 5.649 1.00 0.17 C ATOM 1544 C VAL A 105 5.542 -4.516 5.214 1.00 0.21 C ATOM 1545 O VAL A 105 5.586 -4.841 4.023 1.00 0.25 O ATOM 1546 CB VAL A 105 3.412 -3.316 5.771 1.00 0.20 C ATOM 1547 CG1 VAL A 105 2.799 -3.774 4.463 1.00 0.79 C ATOM 1548 CG2 VAL A 105 3.046 -4.274 6.895 1.00 0.88 C ATOM 0 H VAL A 105 4.926 -2.173 3.817 1.00 0.17 H new ATOM 0 HA VAL A 105 5.315 -2.905 6.636 1.00 0.17 H new ATOM 0 HB VAL A 105 3.008 -2.332 6.007 1.00 0.20 H new ATOM 0 HG11 VAL A 105 1.718 -3.856 4.577 1.00 0.79 H new ATOM 0 HG12 VAL A 105 3.027 -3.050 3.681 1.00 0.79 H new ATOM 0 HG13 VAL A 105 3.210 -4.746 4.189 1.00 0.79 H new ATOM 0 HG21 VAL A 105 1.961 -4.353 6.967 1.00 0.88 H new ATOM 0 HG22 VAL A 105 3.468 -5.257 6.687 1.00 0.88 H new ATOM 0 HG23 VAL A 105 3.446 -3.899 7.837 1.00 0.88 H new ATOM 1558 N TYR A 106 6.031 -5.255 6.179 1.00 0.24 N ATOM 1559 CA TYR A 106 6.515 -6.590 5.942 1.00 0.28 C ATOM 1560 C TYR A 106 5.497 -7.572 6.467 1.00 0.27 C ATOM 1561 O TYR A 106 5.367 -7.764 7.670 1.00 0.36 O ATOM 1562 CB TYR A 106 7.855 -6.826 6.629 1.00 0.38 C ATOM 1563 CG TYR A 106 9.001 -6.036 6.048 1.00 0.43 C ATOM 1564 CD1 TYR A 106 9.560 -6.386 4.827 1.00 0.48 C ATOM 1565 CD2 TYR A 106 9.537 -4.949 6.727 1.00 0.49 C ATOM 1566 CE1 TYR A 106 10.619 -5.676 4.297 1.00 0.56 C ATOM 1567 CE2 TYR A 106 10.596 -4.233 6.204 1.00 0.57 C ATOM 1568 CZ TYR A 106 11.132 -4.601 4.989 1.00 0.58 C ATOM 1569 OH TYR A 106 12.187 -3.891 4.463 1.00 0.70 O ATOM 0 H TYR A 106 6.104 -4.948 7.149 1.00 0.24 H new ATOM 0 HA TYR A 106 6.662 -6.725 4.870 1.00 0.28 H new ATOM 0 HB2 TYR A 106 7.757 -6.577 7.686 1.00 0.38 H new ATOM 0 HB3 TYR A 106 8.096 -7.888 6.573 1.00 0.38 H new ATOM 0 HD1 TYR A 106 9.160 -7.228 4.282 1.00 0.48 H new ATOM 0 HD2 TYR A 106 9.119 -4.659 7.680 1.00 0.49 H new ATOM 0 HE1 TYR A 106 11.043 -5.962 3.346 1.00 0.56 H new ATOM 0 HE2 TYR A 106 11.001 -3.390 6.744 1.00 0.57 H new ATOM 0 HH TYR A 106 12.429 -3.164 5.074 1.00 0.70 H new ATOM 1579 N LEU A 107 4.759 -8.170 5.568 1.00 0.26 N ATOM 1580 CA LEU A 107 3.738 -9.110 5.952 1.00 0.29 C ATOM 1581 C LEU A 107 4.013 -10.439 5.276 1.00 0.31 C ATOM 1582 O LEU A 107 4.506 -10.472 4.158 1.00 0.45 O ATOM 1583 CB LEU A 107 2.354 -8.555 5.587 1.00 0.39 C ATOM 1584 CG LEU A 107 2.026 -8.493 4.093 1.00 1.33 C ATOM 1585 CD1 LEU A 107 1.296 -9.752 3.641 1.00 2.12 C ATOM 1586 CD2 LEU A 107 1.200 -7.257 3.785 1.00 2.02 C ATOM 0 H LEU A 107 4.846 -8.022 4.563 1.00 0.26 H new ATOM 0 HA LEU A 107 3.751 -9.266 7.031 1.00 0.29 H new ATOM 0 HB2 LEU A 107 1.598 -9.167 6.079 1.00 0.39 H new ATOM 0 HB3 LEU A 107 2.268 -7.550 5.999 1.00 0.39 H new ATOM 0 HG LEU A 107 2.964 -8.432 3.541 1.00 1.33 H new ATOM 0 HD11 LEU A 107 1.075 -9.682 2.576 1.00 2.12 H new ATOM 0 HD12 LEU A 107 1.925 -10.623 3.824 1.00 2.12 H new ATOM 0 HD13 LEU A 107 0.365 -9.853 4.199 1.00 2.12 H new ATOM 0 HD21 LEU A 107 0.974 -7.226 2.719 1.00 2.02 H new ATOM 0 HD22 LEU A 107 0.270 -7.291 4.352 1.00 2.02 H new ATOM 0 HD23 LEU A 107 1.762 -6.365 4.063 1.00 2.02 H new ATOM 1598 N LYS A 108 3.712 -11.532 5.936 1.00 0.25 N ATOM 1599 CA LYS A 108 4.004 -12.831 5.363 1.00 0.26 C ATOM 1600 C LYS A 108 2.734 -13.449 4.829 1.00 0.24 C ATOM 1601 O LYS A 108 1.790 -13.656 5.580 1.00 0.29 O ATOM 1602 CB LYS A 108 4.613 -13.766 6.390 1.00 0.32 C ATOM 1603 CG LYS A 108 5.179 -15.020 5.762 1.00 0.45 C ATOM 1604 CD LYS A 108 5.377 -16.111 6.796 1.00 0.76 C ATOM 1605 CE LYS A 108 6.049 -17.329 6.194 1.00 1.34 C ATOM 1606 NZ LYS A 108 6.220 -18.408 7.201 1.00 1.89 N ATOM 0 H LYS A 108 3.272 -11.553 6.856 1.00 0.25 H new ATOM 0 HA LYS A 108 4.723 -12.686 4.557 1.00 0.26 H new ATOM 0 HB2 LYS A 108 5.403 -13.244 6.929 1.00 0.32 H new ATOM 0 HB3 LYS A 108 3.854 -14.040 7.123 1.00 0.32 H new ATOM 0 HG2 LYS A 108 4.506 -15.374 4.981 1.00 0.45 H new ATOM 0 HG3 LYS A 108 6.131 -14.792 5.283 1.00 0.45 H new ATOM 0 HD2 LYS A 108 5.982 -15.729 7.618 1.00 0.76 H new ATOM 0 HD3 LYS A 108 4.412 -16.396 7.215 1.00 0.76 H new ATOM 0 HE2 LYS A 108 5.454 -17.699 5.359 1.00 1.34 H new ATOM 0 HE3 LYS A 108 7.022 -17.048 5.791 1.00 1.34 H new ATOM 0 HZ1 LYS A 108 6.683 -19.227 6.757 1.00 1.89 H new ATOM 0 HZ2 LYS A 108 6.808 -18.061 7.985 1.00 1.89 H new ATOM 0 HZ3 LYS A 108 5.289 -18.692 7.567 1.00 1.89 H new ATOM 1620 N ALA A 109 2.747 -13.811 3.559 1.00 0.24 N ATOM 1621 CA ALA A 109 1.540 -14.225 2.872 1.00 0.28 C ATOM 1622 C ALA A 109 1.482 -15.736 2.775 1.00 0.34 C ATOM 1623 O ALA A 109 2.452 -16.376 2.378 1.00 0.53 O ATOM 1624 CB ALA A 109 1.496 -13.604 1.481 1.00 0.37 C ATOM 0 H ALA A 109 3.587 -13.826 2.980 1.00 0.24 H new ATOM 0 HA ALA A 109 0.675 -13.882 3.440 1.00 0.28 H new ATOM 0 HB1 ALA A 109 0.586 -13.919 0.970 1.00 0.37 H new ATOM 0 HB2 ALA A 109 1.506 -12.517 1.567 1.00 0.37 H new ATOM 0 HB3 ALA A 109 2.365 -13.930 0.909 1.00 0.37 H new ATOM 1630 N ASN A 110 0.352 -16.297 3.180 1.00 0.41 N ATOM 1631 CA ASN A 110 0.140 -17.746 3.165 1.00 0.54 C ATOM 1632 C ASN A 110 -1.212 -18.077 3.787 1.00 0.95 C ATOM 1633 O ASN A 110 -1.567 -17.445 4.797 1.00 1.35 O ATOM 1634 CB ASN A 110 1.255 -18.525 3.897 1.00 0.56 C ATOM 1635 CG ASN A 110 1.353 -18.234 5.389 1.00 0.80 C ATOM 1636 OD1 ASN A 110 1.398 -16.964 5.765 1.00 1.58 O flip ATOM 1637 ND2 ASN A 110 1.457 -19.159 6.198 1.00 0.56 N flip ATOM 1638 OXT ASN A 110 -1.926 -18.952 3.251 1.00 1.78 O ATOM 0 H ASN A 110 -0.446 -15.766 3.529 1.00 0.41 H new ATOM 0 HA ASN A 110 0.164 -18.060 2.121 1.00 0.54 H new ATOM 0 HB2 ASN A 110 1.086 -19.593 3.758 1.00 0.56 H new ATOM 0 HB3 ASN A 110 2.212 -18.290 3.430 1.00 0.56 H new ATOM 0 HD21 ASN A 110 1.418 -20.126 5.875 1.00 0.56 H new ATOM 0 HD22 ASN A 110 1.582 -18.957 7.190 1.00 0.56 H new TER 1645 ASN A 110