USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1078 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 Single : A 2 SER OG : rot 84:sc= 0.96 USER MOD Single : A 4 SER OG : rot 81:sc= 0.976 USER MOD Single : A 5 LYS NZ :NH3+ -156:sc= 1.18 (180deg=0.821) USER MOD Single : A -1 SER N :NH3+ 175:sc= 0.928 (180deg=0.913) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.934 K(o=0.93,f=-2.3!) USER MOD Single : A 15 TYR OH : rot 15:sc= -0.419 USER MOD Single : A 17 SER OG : rot 7:sc= 1.4 USER MOD Single : A 18 SER OG : rot 180:sc= -2.47! USER MOD Single : A 22 LYS NZ :NH3+ -171:sc=-0.00495 (180deg=-0.187) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -0.0152 (180deg=-0.211) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 32 SER OG : rot 76:sc= 0.763 USER MOD Single : A 34 ASN : amide:sc= 0.856 K(o=0.86,f=-0.042) USER MOD Single : A 37 MET CE :methyl 179:sc= -1.5 (180deg=-1.5) USER MOD Single : A 39 CYS SG : rot 73:sc= 1.14 USER MOD Single : A 41 SER OG : rot 59:sc= 1.22 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0306 USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 0.946 (180deg=0.888) USER MOD Single : A 58 SER OG : rot -86:sc= 1.32 USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= 0.957 (180deg=0.843) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0369 F(o=-1.1,f=-0.037) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 70 ASN : amide:sc= -2.86! C(o=-2.9!,f=-7.5!) USER MOD Single : A 71 SER OG : rot 96:sc= 1.2 USER MOD Single : B 2 SER OG : rot 84:sc= 0.973 USER MOD Single : B 4 SER OG : rot 81:sc= 1.08 USER MOD Single : B 5 LYS NZ :NH3+ -156:sc= 1.17 (180deg=0.845) USER MOD Single : B -1 SER N :NH3+ 173:sc= 0.842 (180deg=0.815) USER MOD Single : B -1 SER OG : rot 180:sc= 0 USER MOD Single : B 14 ASN : amide:sc= 0.987 K(o=0.99,f=-2.4!) USER MOD Single : B 15 TYR OH : rot 15:sc= -0.494 USER MOD Single : B 17 SER OG : rot 8:sc= 1.39 USER MOD Single : B 18 SER OG : rot 180:sc= -2.4! USER MOD Single : B 22 LYS NZ :NH3+ -172:sc= -0.0214 (180deg=-0.166) USER MOD Single : B 23 LYS NZ :NH3+ -166:sc= -0.0159 (180deg=-0.244) USER MOD Single : B 26 SER OG : rot 180:sc= 0.0105 USER MOD Single : B 32 SER OG : rot 76:sc= 0.719 USER MOD Single : B 34 ASN : amide:sc= 0.856 K(o=0.86,f=-0.036) USER MOD Single : B 37 MET CE :methyl 179:sc= -1.5 (180deg=-1.5) USER MOD Single : B 39 CYS SG : rot 72:sc= 1.14 USER MOD Single : B 41 SER OG : rot 39:sc= 1.23 USER MOD Single : B 52 SER OG : rot 180:sc= 0.027 USER MOD Single : B 57 LYS NZ :NH3+ 172:sc= 0.984 (180deg=0.931) USER MOD Single : B 58 SER OG : rot -85:sc= 1.25 USER MOD Single : B 61 LYS NZ :NH3+ -179:sc= 0.854 (180deg=0.738) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.0373 F(o=-1.1,f=-0.037) USER MOD Single : B 64 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : B 70 ASN : amide:sc= -2.85! C(o=-2.9!,f=-7.4!) USER MOD Single : B 71 SER OG : rot 80:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -1 -12.413 12.687 -3.871 1.00 7.30 N ATOM 2 CA SER A -1 -11.447 13.489 -3.088 1.00 6.74 C ATOM 3 C SER A -1 -11.595 13.216 -1.591 1.00 5.69 C ATOM 4 O SER A -1 -10.633 12.824 -0.928 1.00 5.59 O ATOM 5 CB SER A -1 -11.648 14.978 -3.376 1.00 7.18 C ATOM 6 OG SER A -1 -11.552 15.248 -4.766 1.00 7.31 O ATOM 0 H1 SER A -1 -12.351 12.952 -4.875 1.00 7.30 H new ATOM 0 H2 SER A -1 -12.191 11.676 -3.765 1.00 7.30 H new ATOM 0 H3 SER A -1 -13.377 12.868 -3.524 1.00 7.30 H new ATOM 0 HA SER A -1 -10.440 13.200 -3.387 1.00 6.74 H new ATOM 0 HB2 SER A -1 -12.624 15.294 -3.008 1.00 7.18 H new ATOM 0 HB3 SER A -1 -10.900 15.560 -2.837 1.00 7.18 H new ATOM 0 HG SER A -1 -11.686 16.206 -4.923 1.00 7.31 H new ATOM 14 N VAL A 0 -12.801 13.415 -1.059 1.00 5.19 N ATOM 15 CA VAL A 0 -13.055 13.192 0.362 1.00 4.35 C ATOM 16 C VAL A 0 -13.069 11.702 0.678 1.00 4.15 C ATOM 17 O VAL A 0 -13.107 10.880 -0.242 1.00 4.71 O ATOM 18 CB VAL A 0 -14.399 13.810 0.809 1.00 4.25 C ATOM 19 CG1 VAL A 0 -14.458 15.287 0.454 1.00 4.89 C ATOM 20 CG2 VAL A 0 -15.573 13.057 0.197 1.00 4.28 C ATOM 0 H VAL A 0 -13.614 13.729 -1.589 1.00 5.19 H new ATOM 0 HA VAL A 0 -12.247 13.680 0.908 1.00 4.35 H new ATOM 0 HB VAL A 0 -14.469 13.719 1.893 1.00 4.25 H new ATOM 0 HG11 VAL A 0 -15.413 15.701 0.778 1.00 4.89 H new ATOM 0 HG12 VAL A 0 -13.645 15.814 0.954 1.00 4.89 H new ATOM 0 HG13 VAL A 0 -14.358 15.406 -0.625 1.00 4.89 H new ATOM 0 HG21 VAL A 0 -16.508 13.511 0.526 1.00 4.28 H new ATOM 0 HG22 VAL A 0 -15.509 13.105 -0.890 1.00 4.28 H new ATOM 0 HG23 VAL A 0 -15.543 12.015 0.516 1.00 4.28 H new ATOM 30 N ASP A 1 -12.981 11.367 1.973 1.00 3.71 N ATOM 31 CA ASP A 1 -13.088 9.983 2.466 1.00 3.86 C ATOM 32 C ASP A 1 -11.765 9.249 2.279 1.00 3.15 C ATOM 33 O ASP A 1 -11.451 8.303 3.000 1.00 3.56 O ATOM 34 CB ASP A 1 -14.235 9.229 1.774 1.00 4.55 C ATOM 35 CG ASP A 1 -14.858 8.163 2.651 1.00 5.25 C ATOM 36 OD1 ASP A 1 -15.720 8.516 3.482 1.00 5.73 O ATOM 37 OD2 ASP A 1 -14.521 6.973 2.503 1.00 5.64 O ATOM 0 H ASP A 1 -12.833 12.052 2.714 1.00 3.71 H new ATOM 0 HA ASP A 1 -13.316 10.021 3.531 1.00 3.86 H new ATOM 0 HB2 ASP A 1 -15.004 9.942 1.477 1.00 4.55 H new ATOM 0 HB3 ASP A 1 -13.860 8.767 0.861 1.00 4.55 H new ATOM 42 N SER A 2 -11.002 9.726 1.305 1.00 2.41 N ATOM 43 CA SER A 2 -9.677 9.204 0.984 1.00 2.10 C ATOM 44 C SER A 2 -8.751 9.160 2.207 1.00 1.76 C ATOM 45 O SER A 2 -7.800 8.373 2.241 1.00 2.42 O ATOM 46 CB SER A 2 -9.045 10.065 -0.116 1.00 2.20 C ATOM 47 OG SER A 2 -7.885 9.456 -0.657 1.00 2.89 O ATOM 0 H SER A 2 -11.289 10.499 0.705 1.00 2.41 H new ATOM 0 HA SER A 2 -9.801 8.178 0.639 1.00 2.10 H new ATOM 0 HB2 SER A 2 -9.772 10.232 -0.910 1.00 2.20 H new ATOM 0 HB3 SER A 2 -8.787 11.043 0.291 1.00 2.20 H new ATOM 0 HG SER A 2 -8.146 8.812 -1.348 1.00 2.89 H new ATOM 53 N ALA A 3 -9.018 10.030 3.188 1.00 1.43 N ATOM 54 CA ALA A 3 -8.270 10.063 4.446 1.00 1.25 C ATOM 55 C ALA A 3 -6.877 10.661 4.236 1.00 1.02 C ATOM 56 O ALA A 3 -6.644 11.363 3.250 1.00 1.06 O ATOM 57 CB ALA A 3 -8.202 8.672 5.080 1.00 1.46 C ATOM 0 H ALA A 3 -9.758 10.729 3.130 1.00 1.43 H new ATOM 0 HA ALA A 3 -8.801 10.711 5.143 1.00 1.25 H new ATOM 0 HB1 ALA A 3 -7.641 8.724 6.013 1.00 1.46 H new ATOM 0 HB2 ALA A 3 -9.212 8.315 5.283 1.00 1.46 H new ATOM 0 HB3 ALA A 3 -7.705 7.984 4.396 1.00 1.46 H new ATOM 63 N SER A 4 -5.963 10.416 5.162 1.00 0.84 N ATOM 64 CA SER A 4 -4.620 10.964 5.066 1.00 0.66 C ATOM 65 C SER A 4 -3.654 9.907 4.541 1.00 0.48 C ATOM 66 O SER A 4 -3.869 8.710 4.728 1.00 0.49 O ATOM 67 CB SER A 4 -4.163 11.449 6.441 1.00 0.79 C ATOM 68 OG SER A 4 -5.196 12.170 7.088 1.00 1.49 O ATOM 0 H SER A 4 -6.127 9.841 5.988 1.00 0.84 H new ATOM 0 HA SER A 4 -4.630 11.804 4.372 1.00 0.66 H new ATOM 0 HB2 SER A 4 -3.870 10.596 7.053 1.00 0.79 H new ATOM 0 HB3 SER A 4 -3.283 12.083 6.334 1.00 0.79 H new ATOM 0 HG SER A 4 -5.827 11.542 7.497 1.00 1.49 H new ATOM 74 N LYS A 5 -2.590 10.363 3.886 1.00 0.41 N ATOM 75 CA LYS A 5 -1.572 9.467 3.342 1.00 0.36 C ATOM 76 C LYS A 5 -0.869 8.688 4.453 1.00 0.27 C ATOM 77 O LYS A 5 -0.355 7.596 4.221 1.00 0.25 O ATOM 78 CB LYS A 5 -0.558 10.254 2.503 1.00 0.42 C ATOM 79 CG LYS A 5 -0.049 11.514 3.182 1.00 0.41 C ATOM 80 CD LYS A 5 0.871 12.315 2.277 1.00 0.53 C ATOM 81 CE LYS A 5 1.033 13.736 2.786 1.00 0.73 C ATOM 82 NZ LYS A 5 -0.221 14.523 2.631 1.00 1.14 N ATOM 0 H LYS A 5 -2.409 11.353 3.718 1.00 0.41 H new ATOM 0 HA LYS A 5 -2.069 8.744 2.695 1.00 0.36 H new ATOM 0 HB2 LYS A 5 0.289 9.608 2.274 1.00 0.42 H new ATOM 0 HB3 LYS A 5 -1.019 10.525 1.553 1.00 0.42 H new ATOM 0 HG2 LYS A 5 -0.895 12.133 3.478 1.00 0.41 H new ATOM 0 HG3 LYS A 5 0.484 11.245 4.094 1.00 0.41 H new ATOM 0 HD2 LYS A 5 1.846 11.831 2.223 1.00 0.53 H new ATOM 0 HD3 LYS A 5 0.467 12.331 1.265 1.00 0.53 H new ATOM 0 HE2 LYS A 5 1.322 13.715 3.837 1.00 0.73 H new ATOM 0 HE3 LYS A 5 1.840 14.227 2.243 1.00 0.73 H new ATOM 0 HZ1 LYS A 5 0.008 15.537 2.592 1.00 1.14 H new ATOM 0 HZ2 LYS A 5 -0.700 14.243 1.752 1.00 1.14 H new ATOM 0 HZ3 LYS A 5 -0.848 14.340 3.440 1.00 1.14 H new ATOM 96 N GLU A 6 -0.852 9.258 5.655 1.00 0.30 N ATOM 97 CA GLU A 6 -0.351 8.560 6.834 1.00 0.36 C ATOM 98 C GLU A 6 -1.190 7.314 7.099 1.00 0.38 C ATOM 99 O GLU A 6 -0.663 6.218 7.296 1.00 0.41 O ATOM 100 CB GLU A 6 -0.400 9.485 8.053 1.00 0.49 C ATOM 101 CG GLU A 6 -0.008 8.812 9.359 1.00 0.99 C ATOM 102 CD GLU A 6 -0.222 9.710 10.558 1.00 1.46 C ATOM 103 OE1 GLU A 6 0.697 10.477 10.901 1.00 2.11 O ATOM 104 OE2 GLU A 6 -1.318 9.660 11.162 1.00 2.00 O ATOM 0 H GLU A 6 -1.181 10.206 5.838 1.00 0.30 H new ATOM 0 HA GLU A 6 0.682 8.263 6.653 1.00 0.36 H new ATOM 0 HB2 GLU A 6 0.264 10.332 7.880 1.00 0.49 H new ATOM 0 HB3 GLU A 6 -1.409 9.885 8.152 1.00 0.49 H new ATOM 0 HG2 GLU A 6 -0.591 7.899 9.483 1.00 0.99 H new ATOM 0 HG3 GLU A 6 1.040 8.517 9.312 1.00 0.99 H new ATOM 111 N GLU A 7 -2.504 7.504 7.084 1.00 0.41 N ATOM 112 CA GLU A 7 -3.451 6.422 7.313 1.00 0.48 C ATOM 113 C GLU A 7 -3.314 5.355 6.237 1.00 0.40 C ATOM 114 O GLU A 7 -3.371 4.157 6.521 1.00 0.40 O ATOM 115 CB GLU A 7 -4.876 6.974 7.336 1.00 0.61 C ATOM 116 CG GLU A 7 -5.100 8.014 8.421 1.00 0.75 C ATOM 117 CD GLU A 7 -6.452 8.686 8.316 1.00 0.95 C ATOM 118 OE1 GLU A 7 -7.465 8.052 8.655 1.00 1.25 O ATOM 119 OE2 GLU A 7 -6.506 9.864 7.899 1.00 1.68 O ATOM 0 H GLU A 7 -2.941 8.410 6.913 1.00 0.41 H new ATOM 0 HA GLU A 7 -3.233 5.964 8.278 1.00 0.48 H new ATOM 0 HB2 GLU A 7 -5.103 7.416 6.366 1.00 0.61 H new ATOM 0 HB3 GLU A 7 -5.575 6.150 7.482 1.00 0.61 H new ATOM 0 HG2 GLU A 7 -5.010 7.539 9.398 1.00 0.75 H new ATOM 0 HG3 GLU A 7 -4.317 8.770 8.361 1.00 0.75 H new ATOM 126 N ILE A 8 -3.118 5.800 5.002 1.00 0.37 N ATOM 127 CA ILE A 8 -2.925 4.887 3.885 1.00 0.36 C ATOM 128 C ILE A 8 -1.653 4.072 4.083 1.00 0.27 C ATOM 129 O ILE A 8 -1.669 2.849 3.974 1.00 0.25 O ATOM 130 CB ILE A 8 -2.829 5.633 2.538 1.00 0.40 C ATOM 131 CG1 ILE A 8 -3.994 6.614 2.372 1.00 0.54 C ATOM 132 CG2 ILE A 8 -2.805 4.639 1.383 1.00 0.42 C ATOM 133 CD1 ILE A 8 -5.355 5.959 2.362 1.00 0.96 C ATOM 0 H ILE A 8 -3.089 6.788 4.750 1.00 0.37 H new ATOM 0 HA ILE A 8 -3.795 4.231 3.857 1.00 0.36 H new ATOM 0 HB ILE A 8 -1.900 6.203 2.530 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -3.959 7.343 3.182 1.00 0.54 H new ATOM 0 HG13 ILE A 8 -3.861 7.165 1.441 1.00 0.54 H new ATOM 0 HG21 ILE A 8 -2.737 5.180 0.439 1.00 0.42 H new ATOM 0 HG22 ILE A 8 -1.942 3.981 1.487 1.00 0.42 H new ATOM 0 HG23 ILE A 8 -3.718 4.044 1.396 1.00 0.42 H new ATOM 0 HD11 ILE A 8 -6.125 6.721 2.241 1.00 0.96 H new ATOM 0 HD12 ILE A 8 -5.412 5.251 1.535 1.00 0.96 H new ATOM 0 HD13 ILE A 8 -5.512 5.432 3.303 1.00 0.96 H new ATOM 145 N ALA A 9 -0.557 4.765 4.381 1.00 0.25 N ATOM 146 CA ALA A 9 0.734 4.121 4.606 1.00 0.20 C ATOM 147 C ALA A 9 0.647 3.059 5.696 1.00 0.19 C ATOM 148 O ALA A 9 1.235 1.983 5.572 1.00 0.16 O ATOM 149 CB ALA A 9 1.779 5.161 4.969 1.00 0.21 C ATOM 0 H ALA A 9 -0.538 5.781 4.473 1.00 0.25 H new ATOM 0 HA ALA A 9 1.027 3.625 3.681 1.00 0.20 H new ATOM 0 HB1 ALA A 9 2.738 4.671 5.135 1.00 0.21 H new ATOM 0 HB2 ALA A 9 1.875 5.880 4.155 1.00 0.21 H new ATOM 0 HB3 ALA A 9 1.475 5.680 5.878 1.00 0.21 H new ATOM 155 N ALA A 10 -0.091 3.366 6.757 1.00 0.24 N ATOM 156 CA ALA A 10 -0.303 2.421 7.844 1.00 0.25 C ATOM 157 C ALA A 10 -0.985 1.159 7.330 1.00 0.24 C ATOM 158 O ALA A 10 -0.539 0.043 7.594 1.00 0.22 O ATOM 159 CB ALA A 10 -1.132 3.063 8.944 1.00 0.33 C ATOM 0 H ALA A 10 -0.554 4.266 6.886 1.00 0.24 H new ATOM 0 HA ALA A 10 0.667 2.142 8.256 1.00 0.25 H new ATOM 0 HB1 ALA A 10 -1.283 2.346 9.751 1.00 0.33 H new ATOM 0 HB2 ALA A 10 -0.609 3.938 9.330 1.00 0.33 H new ATOM 0 HB3 ALA A 10 -2.099 3.366 8.541 1.00 0.33 H new ATOM 165 N LEU A 11 -2.058 1.354 6.578 1.00 0.27 N ATOM 166 CA LEU A 11 -2.800 0.252 5.979 1.00 0.30 C ATOM 167 C LEU A 11 -1.871 -0.563 5.074 1.00 0.26 C ATOM 168 O LEU A 11 -1.879 -1.798 5.088 1.00 0.29 O ATOM 169 CB LEU A 11 -3.990 0.837 5.188 1.00 0.38 C ATOM 170 CG LEU A 11 -5.059 -0.146 4.682 1.00 0.75 C ATOM 171 CD1 LEU A 11 -4.599 -0.863 3.421 1.00 1.56 C ATOM 172 CD2 LEU A 11 -5.430 -1.146 5.766 1.00 0.63 C ATOM 0 H LEU A 11 -2.439 2.276 6.366 1.00 0.27 H new ATOM 0 HA LEU A 11 -3.183 -0.418 6.748 1.00 0.30 H new ATOM 0 HB2 LEU A 11 -4.484 1.575 5.820 1.00 0.38 H new ATOM 0 HB3 LEU A 11 -3.591 1.372 4.326 1.00 0.38 H new ATOM 0 HG LEU A 11 -5.948 0.432 4.430 1.00 0.75 H new ATOM 0 HD11 LEU A 11 -5.377 -1.550 3.089 1.00 1.56 H new ATOM 0 HD12 LEU A 11 -4.403 -0.131 2.637 1.00 1.56 H new ATOM 0 HD13 LEU A 11 -3.687 -1.422 3.632 1.00 1.56 H new ATOM 0 HD21 LEU A 11 -6.188 -1.831 5.385 1.00 0.63 H new ATOM 0 HD22 LEU A 11 -4.545 -1.710 6.059 1.00 0.63 H new ATOM 0 HD23 LEU A 11 -5.824 -0.614 6.632 1.00 0.63 H new ATOM 184 N ILE A 12 -1.053 0.154 4.321 1.00 0.21 N ATOM 185 CA ILE A 12 -0.119 -0.439 3.377 1.00 0.20 C ATOM 186 C ILE A 12 0.916 -1.333 4.067 1.00 0.18 C ATOM 187 O ILE A 12 1.045 -2.512 3.725 1.00 0.20 O ATOM 188 CB ILE A 12 0.590 0.667 2.567 1.00 0.19 C ATOM 189 CG1 ILE A 12 -0.409 1.315 1.601 1.00 0.22 C ATOM 190 CG2 ILE A 12 1.794 0.113 1.820 1.00 0.20 C ATOM 191 CD1 ILE A 12 0.137 2.512 0.854 1.00 0.25 C ATOM 0 H ILE A 12 -1.018 1.173 4.348 1.00 0.21 H new ATOM 0 HA ILE A 12 -0.696 -1.073 2.704 1.00 0.20 H new ATOM 0 HB ILE A 12 0.959 1.427 3.256 1.00 0.19 H new ATOM 0 HG12 ILE A 12 -0.735 0.567 0.878 1.00 0.22 H new ATOM 0 HG13 ILE A 12 -1.292 1.622 2.161 1.00 0.22 H new ATOM 0 HG21 ILE A 12 2.274 0.914 1.258 1.00 0.20 H new ATOM 0 HG22 ILE A 12 2.504 -0.305 2.533 1.00 0.20 H new ATOM 0 HG23 ILE A 12 1.468 -0.667 1.132 1.00 0.20 H new ATOM 0 HD11 ILE A 12 -0.633 2.910 0.193 1.00 0.25 H new ATOM 0 HD12 ILE A 12 0.436 3.280 1.567 1.00 0.25 H new ATOM 0 HD13 ILE A 12 1.002 2.209 0.263 1.00 0.25 H new ATOM 203 N VAL A 13 1.642 -0.786 5.037 1.00 0.16 N ATOM 204 CA VAL A 13 2.698 -1.548 5.697 1.00 0.16 C ATOM 205 C VAL A 13 2.119 -2.719 6.486 1.00 0.16 C ATOM 206 O VAL A 13 2.716 -3.794 6.539 1.00 0.18 O ATOM 207 CB VAL A 13 3.586 -0.673 6.617 1.00 0.15 C ATOM 208 CG1 VAL A 13 4.298 0.401 5.809 1.00 0.16 C ATOM 209 CG2 VAL A 13 2.779 -0.046 7.743 1.00 0.14 C ATOM 0 H VAL A 13 1.522 0.167 5.380 1.00 0.16 H new ATOM 0 HA VAL A 13 3.337 -1.933 4.902 1.00 0.16 H new ATOM 0 HB VAL A 13 4.334 -1.324 7.069 1.00 0.15 H new ATOM 0 HG11 VAL A 13 4.917 1.005 6.472 1.00 0.16 H new ATOM 0 HG12 VAL A 13 4.928 -0.069 5.054 1.00 0.16 H new ATOM 0 HG13 VAL A 13 3.560 1.038 5.321 1.00 0.16 H new ATOM 0 HG21 VAL A 13 3.435 0.560 8.367 1.00 0.14 H new ATOM 0 HG22 VAL A 13 1.995 0.584 7.322 1.00 0.14 H new ATOM 0 HG23 VAL A 13 2.327 -0.832 8.348 1.00 0.14 H new ATOM 219 N ASN A 14 0.943 -2.515 7.073 1.00 0.18 N ATOM 220 CA ASN A 14 0.265 -3.575 7.814 1.00 0.21 C ATOM 221 C ASN A 14 -0.055 -4.752 6.891 1.00 0.19 C ATOM 222 O ASN A 14 -0.062 -5.909 7.318 1.00 0.20 O ATOM 223 CB ASN A 14 -1.019 -3.052 8.463 1.00 0.30 C ATOM 224 CG ASN A 14 -1.539 -3.977 9.553 1.00 0.42 C ATOM 225 OD1 ASN A 14 -0.769 -4.676 10.209 1.00 0.45 O ATOM 226 ND2 ASN A 14 -2.847 -3.984 9.758 1.00 0.57 N ATOM 0 H ASN A 14 0.440 -1.628 7.050 1.00 0.18 H new ATOM 0 HA ASN A 14 0.935 -3.917 8.603 1.00 0.21 H new ATOM 0 HB2 ASN A 14 -0.832 -2.065 8.887 1.00 0.30 H new ATOM 0 HB3 ASN A 14 -1.786 -2.930 7.698 1.00 0.30 H new ATOM 0 HD21 ASN A 14 -3.247 -4.583 10.480 1.00 0.57 H new ATOM 0 HD22 ASN A 14 -3.455 -3.390 9.194 1.00 0.57 H new ATOM 233 N TYR A 15 -0.305 -4.452 5.619 1.00 0.22 N ATOM 234 CA TYR A 15 -0.574 -5.498 4.640 1.00 0.24 C ATOM 235 C TYR A 15 0.678 -6.324 4.376 1.00 0.22 C ATOM 236 O TYR A 15 0.630 -7.553 4.392 1.00 0.23 O ATOM 237 CB TYR A 15 -1.099 -4.924 3.321 1.00 0.30 C ATOM 238 CG TYR A 15 -1.525 -6.004 2.349 1.00 0.39 C ATOM 239 CD1 TYR A 15 -2.716 -6.693 2.537 1.00 1.30 C ATOM 240 CD2 TYR A 15 -0.731 -6.350 1.264 1.00 1.19 C ATOM 241 CE1 TYR A 15 -3.107 -7.695 1.671 1.00 1.40 C ATOM 242 CE2 TYR A 15 -1.112 -7.356 0.394 1.00 1.21 C ATOM 243 CZ TYR A 15 -2.302 -8.023 0.603 1.00 0.65 C ATOM 244 OH TYR A 15 -2.685 -9.029 -0.255 1.00 0.80 O ATOM 0 H TYR A 15 -0.327 -3.503 5.246 1.00 0.22 H new ATOM 0 HA TYR A 15 -1.347 -6.139 5.063 1.00 0.24 H new ATOM 0 HB2 TYR A 15 -1.946 -4.268 3.525 1.00 0.30 H new ATOM 0 HB3 TYR A 15 -0.324 -4.311 2.861 1.00 0.30 H new ATOM 0 HD1 TYR A 15 -3.348 -6.441 3.376 1.00 1.30 H new ATOM 0 HD2 TYR A 15 0.198 -5.826 1.097 1.00 1.19 H new ATOM 0 HE1 TYR A 15 -4.038 -8.218 1.830 1.00 1.40 H new ATOM 0 HE2 TYR A 15 -0.482 -7.618 -0.443 1.00 1.21 H new ATOM 0 HH TYR A 15 -3.633 -9.236 -0.114 1.00 0.80 H new ATOM 254 N PHE A 16 1.802 -5.654 4.146 1.00 0.20 N ATOM 255 CA PHE A 16 3.051 -6.360 3.875 1.00 0.21 C ATOM 256 C PHE A 16 3.503 -7.142 5.099 1.00 0.20 C ATOM 257 O PHE A 16 4.054 -8.235 4.971 1.00 0.20 O ATOM 258 CB PHE A 16 4.153 -5.399 3.422 1.00 0.20 C ATOM 259 CG PHE A 16 3.877 -4.735 2.099 1.00 0.20 C ATOM 260 CD1 PHE A 16 3.469 -5.481 0.999 1.00 0.91 C ATOM 261 CD2 PHE A 16 4.028 -3.365 1.952 1.00 1.04 C ATOM 262 CE1 PHE A 16 3.215 -4.871 -0.212 1.00 0.91 C ATOM 263 CE2 PHE A 16 3.777 -2.754 0.741 1.00 1.05 C ATOM 264 CZ PHE A 16 3.369 -3.507 -0.340 1.00 0.23 C ATOM 0 H PHE A 16 1.876 -4.637 4.141 1.00 0.20 H new ATOM 0 HA PHE A 16 2.862 -7.060 3.061 1.00 0.21 H new ATOM 0 HB2 PHE A 16 4.286 -4.630 4.183 1.00 0.20 H new ATOM 0 HB3 PHE A 16 5.093 -5.946 3.354 1.00 0.20 H new ATOM 0 HD1 PHE A 16 3.350 -6.550 1.094 1.00 0.91 H new ATOM 0 HD2 PHE A 16 4.346 -2.769 2.795 1.00 1.04 H new ATOM 0 HE1 PHE A 16 2.896 -5.461 -1.058 1.00 0.91 H new ATOM 0 HE2 PHE A 16 3.900 -1.686 0.639 1.00 1.05 H new ATOM 0 HZ PHE A 16 3.170 -3.028 -1.287 1.00 0.23 H new ATOM 274 N SER A 17 3.246 -6.594 6.282 1.00 0.19 N ATOM 275 CA SER A 17 3.534 -7.298 7.525 1.00 0.20 C ATOM 276 C SER A 17 2.733 -8.596 7.587 1.00 0.21 C ATOM 277 O SER A 17 3.206 -9.611 8.094 1.00 0.24 O ATOM 278 CB SER A 17 3.205 -6.417 8.734 1.00 0.21 C ATOM 279 OG SER A 17 3.969 -5.220 8.726 1.00 0.90 O ATOM 0 H SER A 17 2.840 -5.667 6.406 1.00 0.19 H new ATOM 0 HA SER A 17 4.598 -7.534 7.551 1.00 0.20 H new ATOM 0 HB2 SER A 17 2.143 -6.172 8.730 1.00 0.21 H new ATOM 0 HB3 SER A 17 3.401 -6.970 9.653 1.00 0.21 H new ATOM 0 HG SER A 17 4.474 -5.160 7.888 1.00 0.90 H new ATOM 285 N SER A 18 1.526 -8.556 7.037 1.00 0.24 N ATOM 286 CA SER A 18 0.660 -9.721 6.997 1.00 0.25 C ATOM 287 C SER A 18 1.182 -10.737 5.979 1.00 0.25 C ATOM 288 O SER A 18 1.275 -11.928 6.274 1.00 0.29 O ATOM 289 CB SER A 18 -0.769 -9.295 6.645 1.00 0.26 C ATOM 290 OG SER A 18 -1.673 -10.378 6.747 1.00 0.84 O ATOM 0 H SER A 18 1.125 -7.721 6.610 1.00 0.24 H new ATOM 0 HA SER A 18 0.655 -10.193 7.980 1.00 0.25 H new ATOM 0 HB2 SER A 18 -1.085 -8.492 7.311 1.00 0.26 H new ATOM 0 HB3 SER A 18 -0.791 -8.895 5.631 1.00 0.26 H new ATOM 0 HG SER A 18 -2.576 -10.073 6.518 1.00 0.84 H new ATOM 296 N ILE A 19 1.549 -10.253 4.794 1.00 0.23 N ATOM 297 CA ILE A 19 2.041 -11.116 3.722 1.00 0.24 C ATOM 298 C ILE A 19 3.284 -11.886 4.153 1.00 0.25 C ATOM 299 O ILE A 19 3.393 -13.090 3.910 1.00 0.28 O ATOM 300 CB ILE A 19 2.355 -10.309 2.440 1.00 0.24 C ATOM 301 CG1 ILE A 19 1.084 -9.641 1.907 1.00 0.25 C ATOM 302 CG2 ILE A 19 2.974 -11.203 1.368 1.00 0.27 C ATOM 303 CD1 ILE A 19 -0.031 -10.617 1.587 1.00 0.28 C ATOM 0 H ILE A 19 1.515 -9.263 4.551 1.00 0.23 H new ATOM 0 HA ILE A 19 1.244 -11.826 3.503 1.00 0.24 H new ATOM 0 HB ILE A 19 3.079 -9.535 2.695 1.00 0.24 H new ATOM 0 HG12 ILE A 19 0.725 -8.923 2.644 1.00 0.25 H new ATOM 0 HG13 ILE A 19 1.331 -9.078 1.007 1.00 0.25 H new ATOM 0 HG21 ILE A 19 3.185 -10.611 0.478 1.00 0.27 H new ATOM 0 HG22 ILE A 19 3.901 -11.634 1.745 1.00 0.27 H new ATOM 0 HG23 ILE A 19 2.278 -12.003 1.115 1.00 0.27 H new ATOM 0 HD11 ILE A 19 -0.898 -10.070 1.215 1.00 0.28 H new ATOM 0 HD12 ILE A 19 0.308 -11.320 0.826 1.00 0.28 H new ATOM 0 HD13 ILE A 19 -0.307 -11.163 2.489 1.00 0.28 H new ATOM 315 N VAL A 20 4.216 -11.196 4.798 1.00 0.25 N ATOM 316 CA VAL A 20 5.441 -11.832 5.248 1.00 0.28 C ATOM 317 C VAL A 20 5.179 -12.731 6.457 1.00 0.33 C ATOM 318 O VAL A 20 5.823 -13.766 6.616 1.00 0.34 O ATOM 319 CB VAL A 20 6.545 -10.801 5.575 1.00 0.29 C ATOM 320 CG1 VAL A 20 6.891 -9.979 4.343 1.00 0.26 C ATOM 321 CG2 VAL A 20 6.136 -9.890 6.723 1.00 0.30 C ATOM 0 H VAL A 20 4.145 -10.203 5.019 1.00 0.25 H new ATOM 0 HA VAL A 20 5.799 -12.448 4.423 1.00 0.28 H new ATOM 0 HB VAL A 20 7.430 -11.354 5.888 1.00 0.29 H new ATOM 0 HG11 VAL A 20 7.670 -9.259 4.593 1.00 0.26 H new ATOM 0 HG12 VAL A 20 7.248 -10.640 3.553 1.00 0.26 H new ATOM 0 HG13 VAL A 20 6.003 -9.448 3.999 1.00 0.26 H new ATOM 0 HG21 VAL A 20 6.936 -9.178 6.925 1.00 0.30 H new ATOM 0 HG22 VAL A 20 5.229 -9.349 6.453 1.00 0.30 H new ATOM 0 HG23 VAL A 20 5.949 -10.489 7.614 1.00 0.30 H new ATOM 331 N GLU A 21 4.225 -12.337 7.301 1.00 0.39 N ATOM 332 CA GLU A 21 3.822 -13.161 8.439 1.00 0.49 C ATOM 333 C GLU A 21 3.238 -14.484 7.957 1.00 0.48 C ATOM 334 O GLU A 21 3.621 -15.555 8.429 1.00 0.51 O ATOM 335 CB GLU A 21 2.793 -12.430 9.303 1.00 0.59 C ATOM 336 CG GLU A 21 2.363 -13.217 10.530 1.00 1.23 C ATOM 337 CD GLU A 21 1.251 -12.540 11.301 1.00 1.83 C ATOM 338 OE1 GLU A 21 1.553 -11.712 12.189 1.00 2.49 O ATOM 339 OE2 GLU A 21 0.069 -12.838 11.029 1.00 2.39 O ATOM 0 H GLU A 21 3.719 -11.455 7.218 1.00 0.39 H new ATOM 0 HA GLU A 21 4.709 -13.358 9.041 1.00 0.49 H new ATOM 0 HB2 GLU A 21 3.211 -11.475 9.622 1.00 0.59 H new ATOM 0 HB3 GLU A 21 1.914 -12.207 8.698 1.00 0.59 H new ATOM 0 HG2 GLU A 21 2.034 -14.209 10.222 1.00 1.23 H new ATOM 0 HG3 GLU A 21 3.222 -13.356 11.187 1.00 1.23 H new ATOM 346 N LYS A 22 2.320 -14.403 7.001 1.00 0.46 N ATOM 347 CA LYS A 22 1.683 -15.590 6.445 1.00 0.49 C ATOM 348 C LYS A 22 2.624 -16.311 5.487 1.00 0.42 C ATOM 349 O LYS A 22 2.319 -17.396 4.993 1.00 0.44 O ATOM 350 CB LYS A 22 0.394 -15.219 5.709 1.00 0.57 C ATOM 351 CG LYS A 22 -0.605 -14.456 6.561 1.00 0.67 C ATOM 352 CD LYS A 22 -1.864 -14.132 5.775 1.00 0.80 C ATOM 353 CE LYS A 22 -2.817 -13.257 6.571 1.00 0.72 C ATOM 354 NZ LYS A 22 -3.169 -13.862 7.882 1.00 1.42 N ATOM 0 H LYS A 22 2.000 -13.524 6.594 1.00 0.46 H new ATOM 0 HA LYS A 22 1.442 -16.255 7.274 1.00 0.49 H new ATOM 0 HB2 LYS A 22 0.646 -14.617 4.836 1.00 0.57 H new ATOM 0 HB3 LYS A 22 -0.078 -16.130 5.342 1.00 0.57 H new ATOM 0 HG2 LYS A 22 -0.864 -15.047 7.440 1.00 0.67 H new ATOM 0 HG3 LYS A 22 -0.150 -13.533 6.920 1.00 0.67 H new ATOM 0 HD2 LYS A 22 -1.594 -13.626 4.848 1.00 0.80 H new ATOM 0 HD3 LYS A 22 -2.367 -15.058 5.497 1.00 0.80 H new ATOM 0 HE2 LYS A 22 -2.361 -12.280 6.734 1.00 0.72 H new ATOM 0 HE3 LYS A 22 -3.726 -13.092 5.993 1.00 0.72 H new ATOM 0 HZ1 LYS A 22 -3.933 -13.312 8.324 1.00 1.42 H new ATOM 0 HZ2 LYS A 22 -3.486 -14.842 7.738 1.00 1.42 H new ATOM 0 HZ3 LYS A 22 -2.334 -13.856 8.503 1.00 1.42 H new ATOM 368 N LYS A 23 3.769 -15.676 5.239 1.00 0.36 N ATOM 369 CA LYS A 23 4.807 -16.202 4.359 1.00 0.32 C ATOM 370 C LYS A 23 4.253 -16.545 2.982 1.00 0.36 C ATOM 371 O LYS A 23 4.609 -17.565 2.388 1.00 0.41 O ATOM 372 CB LYS A 23 5.487 -17.419 4.995 1.00 0.36 C ATOM 373 CG LYS A 23 6.224 -17.083 6.282 1.00 0.42 C ATOM 374 CD LYS A 23 6.937 -18.295 6.856 1.00 0.57 C ATOM 375 CE LYS A 23 7.675 -17.950 8.141 1.00 1.21 C ATOM 376 NZ LYS A 23 8.735 -16.926 7.927 1.00 1.79 N ATOM 0 H LYS A 23 4.003 -14.772 5.649 1.00 0.36 H new ATOM 0 HA LYS A 23 5.555 -15.421 4.223 1.00 0.32 H new ATOM 0 HB2 LYS A 23 4.736 -18.181 5.201 1.00 0.36 H new ATOM 0 HB3 LYS A 23 6.190 -17.849 4.282 1.00 0.36 H new ATOM 0 HG2 LYS A 23 6.949 -16.292 6.090 1.00 0.42 H new ATOM 0 HG3 LYS A 23 5.517 -16.696 7.016 1.00 0.42 H new ATOM 0 HD2 LYS A 23 6.213 -19.086 7.052 1.00 0.57 H new ATOM 0 HD3 LYS A 23 7.643 -18.684 6.123 1.00 0.57 H new ATOM 0 HE2 LYS A 23 6.962 -17.583 8.879 1.00 1.21 H new ATOM 0 HE3 LYS A 23 8.124 -18.854 8.553 1.00 1.21 H new ATOM 0 HZ1 LYS A 23 9.340 -16.871 8.771 1.00 1.79 H new ATOM 0 HZ2 LYS A 23 9.313 -17.191 7.104 1.00 1.79 H new ATOM 0 HZ3 LYS A 23 8.294 -16.000 7.756 1.00 1.79 H new ATOM 390 N GLU A 24 3.396 -15.668 2.471 1.00 0.37 N ATOM 391 CA GLU A 24 2.793 -15.856 1.156 1.00 0.46 C ATOM 392 C GLU A 24 3.761 -15.476 0.046 1.00 0.40 C ATOM 393 O GLU A 24 3.458 -15.643 -1.134 1.00 0.43 O ATOM 394 CB GLU A 24 1.526 -15.016 1.008 1.00 0.57 C ATOM 395 CG GLU A 24 0.308 -15.582 1.710 1.00 0.84 C ATOM 396 CD GLU A 24 -0.953 -14.840 1.325 1.00 1.08 C ATOM 397 OE1 GLU A 24 -1.148 -14.577 0.116 1.00 1.83 O ATOM 398 OE2 GLU A 24 -1.759 -14.523 2.220 1.00 1.65 O ATOM 0 H GLU A 24 3.102 -14.816 2.949 1.00 0.37 H new ATOM 0 HA GLU A 24 2.542 -16.913 1.071 1.00 0.46 H new ATOM 0 HB2 GLU A 24 1.721 -14.016 1.396 1.00 0.57 H new ATOM 0 HB3 GLU A 24 1.300 -14.907 -0.053 1.00 0.57 H new ATOM 0 HG2 GLU A 24 0.201 -16.637 1.459 1.00 0.84 H new ATOM 0 HG3 GLU A 24 0.450 -15.524 2.789 1.00 0.84 H new ATOM 405 N ILE A 25 4.916 -14.957 0.421 1.00 0.36 N ATOM 406 CA ILE A 25 5.884 -14.502 -0.556 1.00 0.33 C ATOM 407 C ILE A 25 7.255 -15.105 -0.258 1.00 0.33 C ATOM 408 O ILE A 25 7.592 -15.367 0.903 1.00 0.34 O ATOM 409 CB ILE A 25 5.957 -12.956 -0.583 1.00 0.29 C ATOM 410 CG1 ILE A 25 6.792 -12.478 -1.776 1.00 0.30 C ATOM 411 CG2 ILE A 25 6.529 -12.419 0.724 1.00 0.27 C ATOM 412 CD1 ILE A 25 6.766 -10.978 -1.979 1.00 0.28 C ATOM 0 H ILE A 25 5.205 -14.841 1.392 1.00 0.36 H new ATOM 0 HA ILE A 25 5.564 -14.837 -1.542 1.00 0.33 H new ATOM 0 HB ILE A 25 4.945 -12.568 -0.695 1.00 0.29 H new ATOM 0 HG12 ILE A 25 7.824 -12.798 -1.636 1.00 0.30 H new ATOM 0 HG13 ILE A 25 6.427 -12.964 -2.681 1.00 0.30 H new ATOM 0 HG21 ILE A 25 6.571 -11.331 0.683 1.00 0.27 H new ATOM 0 HG22 ILE A 25 5.892 -12.726 1.553 1.00 0.27 H new ATOM 0 HG23 ILE A 25 7.533 -12.816 0.872 1.00 0.27 H new ATOM 0 HD11 ILE A 25 7.380 -10.717 -2.841 1.00 0.28 H new ATOM 0 HD12 ILE A 25 5.740 -10.652 -2.151 1.00 0.28 H new ATOM 0 HD13 ILE A 25 7.159 -10.484 -1.091 1.00 0.28 H new ATOM 424 N SER A 26 8.016 -15.353 -1.317 1.00 0.35 N ATOM 425 CA SER A 26 9.342 -15.944 -1.212 1.00 0.38 C ATOM 426 C SER A 26 10.270 -15.100 -0.339 1.00 0.34 C ATOM 427 O SER A 26 10.053 -13.896 -0.197 1.00 0.31 O ATOM 428 CB SER A 26 9.935 -16.118 -2.610 1.00 0.46 C ATOM 429 OG SER A 26 9.765 -14.940 -3.386 1.00 1.45 O ATOM 0 H SER A 26 7.729 -15.149 -2.274 1.00 0.35 H new ATOM 0 HA SER A 26 9.245 -16.918 -0.733 1.00 0.38 H new ATOM 0 HB2 SER A 26 10.996 -16.356 -2.532 1.00 0.46 H new ATOM 0 HB3 SER A 26 9.455 -16.959 -3.110 1.00 0.46 H new ATOM 0 HG SER A 26 10.154 -15.075 -4.275 1.00 1.45 H new ATOM 435 N GLU A 27 11.292 -15.723 0.239 1.00 0.40 N ATOM 436 CA GLU A 27 12.167 -15.039 1.192 1.00 0.45 C ATOM 437 C GLU A 27 12.750 -13.755 0.603 1.00 0.40 C ATOM 438 O GLU A 27 12.775 -12.712 1.264 1.00 0.44 O ATOM 439 CB GLU A 27 13.302 -15.958 1.637 1.00 0.69 C ATOM 440 CG GLU A 27 12.828 -17.236 2.307 1.00 0.75 C ATOM 441 CD GLU A 27 13.973 -18.030 2.896 1.00 1.21 C ATOM 442 OE1 GLU A 27 14.662 -18.740 2.135 1.00 1.87 O ATOM 443 OE2 GLU A 27 14.199 -17.933 4.122 1.00 1.71 O ATOM 0 H GLU A 27 11.537 -16.698 0.066 1.00 0.40 H new ATOM 0 HA GLU A 27 11.557 -14.774 2.055 1.00 0.45 H new ATOM 0 HB2 GLU A 27 13.909 -16.217 0.769 1.00 0.69 H new ATOM 0 HB3 GLU A 27 13.948 -15.415 2.327 1.00 0.69 H new ATOM 0 HG2 GLU A 27 12.116 -16.989 3.095 1.00 0.75 H new ATOM 0 HG3 GLU A 27 12.298 -17.851 1.580 1.00 0.75 H new ATOM 450 N ASP A 28 13.179 -13.827 -0.653 1.00 0.39 N ATOM 451 CA ASP A 28 13.799 -12.687 -1.321 1.00 0.39 C ATOM 452 C ASP A 28 12.792 -11.552 -1.462 1.00 0.35 C ATOM 453 O ASP A 28 13.107 -10.385 -1.218 1.00 0.38 O ATOM 454 CB ASP A 28 14.320 -13.103 -2.699 1.00 0.46 C ATOM 455 CG ASP A 28 15.101 -12.003 -3.392 1.00 1.01 C ATOM 456 OD1 ASP A 28 16.335 -11.935 -3.204 1.00 1.63 O ATOM 457 OD2 ASP A 28 14.491 -11.217 -4.144 1.00 1.85 O ATOM 0 H ASP A 28 13.109 -14.665 -1.230 1.00 0.39 H new ATOM 0 HA ASP A 28 14.638 -12.340 -0.718 1.00 0.39 H new ATOM 0 HB2 ASP A 28 14.957 -13.981 -2.591 1.00 0.46 H new ATOM 0 HB3 ASP A 28 13.478 -13.395 -3.327 1.00 0.46 H new ATOM 462 N GLY A 29 11.570 -11.910 -1.837 1.00 0.31 N ATOM 463 CA GLY A 29 10.511 -10.929 -1.941 1.00 0.30 C ATOM 464 C GLY A 29 10.131 -10.363 -0.587 1.00 0.26 C ATOM 465 O GLY A 29 9.945 -9.156 -0.444 1.00 0.24 O ATOM 0 H GLY A 29 11.295 -12.864 -2.071 1.00 0.31 H new ATOM 0 HA2 GLY A 29 10.830 -10.119 -2.597 1.00 0.30 H new ATOM 0 HA3 GLY A 29 9.636 -11.387 -2.402 1.00 0.30 H new ATOM 469 N ALA A 30 10.021 -11.241 0.407 1.00 0.24 N ATOM 470 CA ALA A 30 9.693 -10.838 1.770 1.00 0.23 C ATOM 471 C ALA A 30 10.669 -9.796 2.296 1.00 0.22 C ATOM 472 O ALA A 30 10.260 -8.770 2.837 1.00 0.21 O ATOM 473 CB ALA A 30 9.674 -12.051 2.688 1.00 0.24 C ATOM 0 H ALA A 30 10.156 -12.245 0.291 1.00 0.24 H new ATOM 0 HA ALA A 30 8.701 -10.386 1.753 1.00 0.23 H new ATOM 0 HB1 ALA A 30 9.428 -11.736 3.702 1.00 0.24 H new ATOM 0 HB2 ALA A 30 8.925 -12.761 2.337 1.00 0.24 H new ATOM 0 HB3 ALA A 30 10.655 -12.526 2.684 1.00 0.24 H new ATOM 479 N ASP A 31 11.961 -10.056 2.134 1.00 0.24 N ATOM 480 CA ASP A 31 12.987 -9.121 2.587 1.00 0.25 C ATOM 481 C ASP A 31 12.821 -7.767 1.908 1.00 0.23 C ATOM 482 O ASP A 31 12.966 -6.719 2.540 1.00 0.22 O ATOM 483 CB ASP A 31 14.385 -9.673 2.311 1.00 0.30 C ATOM 484 CG ASP A 31 15.475 -8.753 2.817 1.00 0.77 C ATOM 485 OD1 ASP A 31 15.761 -8.774 4.033 1.00 1.46 O ATOM 486 OD2 ASP A 31 16.054 -8.007 2.003 1.00 1.34 O ATOM 0 H ASP A 31 12.323 -10.902 1.695 1.00 0.24 H new ATOM 0 HA ASP A 31 12.868 -8.991 3.663 1.00 0.25 H new ATOM 0 HB2 ASP A 31 14.488 -10.649 2.784 1.00 0.30 H new ATOM 0 HB3 ASP A 31 14.509 -9.824 1.239 1.00 0.30 H new ATOM 491 N SER A 32 12.490 -7.798 0.623 1.00 0.24 N ATOM 492 CA SER A 32 12.256 -6.578 -0.136 1.00 0.23 C ATOM 493 C SER A 32 11.031 -5.828 0.392 1.00 0.20 C ATOM 494 O SER A 32 10.971 -4.603 0.336 1.00 0.22 O ATOM 495 CB SER A 32 12.092 -6.915 -1.614 1.00 0.25 C ATOM 496 OG SER A 32 13.225 -7.621 -2.088 1.00 0.92 O ATOM 0 H SER A 32 12.378 -8.657 0.085 1.00 0.24 H new ATOM 0 HA SER A 32 13.118 -5.922 -0.017 1.00 0.23 H new ATOM 0 HB2 SER A 32 11.194 -7.516 -1.759 1.00 0.25 H new ATOM 0 HB3 SER A 32 11.959 -5.999 -2.190 1.00 0.25 H new ATOM 0 HG SER A 32 13.187 -8.549 -1.775 1.00 0.92 H new ATOM 502 N LEU A 33 10.062 -6.567 0.919 1.00 0.17 N ATOM 503 CA LEU A 33 8.884 -5.952 1.522 1.00 0.15 C ATOM 504 C LEU A 33 9.228 -5.365 2.884 1.00 0.14 C ATOM 505 O LEU A 33 8.702 -4.322 3.271 1.00 0.13 O ATOM 506 CB LEU A 33 7.752 -6.970 1.671 1.00 0.16 C ATOM 507 CG LEU A 33 7.221 -7.561 0.365 1.00 0.18 C ATOM 508 CD1 LEU A 33 6.084 -8.531 0.651 1.00 0.21 C ATOM 509 CD2 LEU A 33 6.766 -6.455 -0.577 1.00 0.19 C ATOM 0 H LEU A 33 10.067 -7.587 0.942 1.00 0.17 H new ATOM 0 HA LEU A 33 8.550 -5.152 0.862 1.00 0.15 H new ATOM 0 HB2 LEU A 33 8.102 -7.786 2.303 1.00 0.16 H new ATOM 0 HB3 LEU A 33 6.925 -6.493 2.196 1.00 0.16 H new ATOM 0 HG LEU A 33 8.027 -8.109 -0.123 1.00 0.18 H new ATOM 0 HD11 LEU A 33 5.714 -8.945 -0.287 1.00 0.21 H new ATOM 0 HD12 LEU A 33 6.446 -9.339 1.287 1.00 0.21 H new ATOM 0 HD13 LEU A 33 5.276 -8.005 1.159 1.00 0.21 H new ATOM 0 HD21 LEU A 33 6.391 -6.895 -1.501 1.00 0.19 H new ATOM 0 HD22 LEU A 33 5.973 -5.877 -0.103 1.00 0.19 H new ATOM 0 HD23 LEU A 33 7.608 -5.800 -0.802 1.00 0.19 H new ATOM 521 N ASN A 34 10.118 -6.039 3.604 1.00 0.15 N ATOM 522 CA ASN A 34 10.558 -5.571 4.912 1.00 0.16 C ATOM 523 C ASN A 34 11.243 -4.219 4.799 1.00 0.16 C ATOM 524 O ASN A 34 10.868 -3.269 5.488 1.00 0.16 O ATOM 525 CB ASN A 34 11.494 -6.584 5.575 1.00 0.18 C ATOM 526 CG ASN A 34 10.745 -7.704 6.273 1.00 0.18 C ATOM 527 OD1 ASN A 34 10.388 -7.589 7.445 1.00 0.19 O ATOM 528 ND2 ASN A 34 10.499 -8.794 5.567 1.00 0.21 N ATOM 0 H ASN A 34 10.549 -6.913 3.303 1.00 0.15 H new ATOM 0 HA ASN A 34 9.673 -5.462 5.539 1.00 0.16 H new ATOM 0 HB2 ASN A 34 12.155 -7.010 4.820 1.00 0.18 H new ATOM 0 HB3 ASN A 34 12.126 -6.069 6.298 1.00 0.18 H new ATOM 0 HD21 ASN A 34 9.998 -9.575 5.992 1.00 0.21 H new ATOM 0 HD22 ASN A 34 10.810 -8.855 4.597 1.00 0.21 H new ATOM 535 N VAL A 35 12.227 -4.118 3.908 1.00 0.17 N ATOM 536 CA VAL A 35 12.929 -2.856 3.705 1.00 0.19 C ATOM 537 C VAL A 35 11.975 -1.797 3.159 1.00 0.18 C ATOM 538 O VAL A 35 12.118 -0.612 3.454 1.00 0.20 O ATOM 539 CB VAL A 35 14.149 -2.999 2.764 1.00 0.22 C ATOM 540 CG1 VAL A 35 15.152 -3.990 3.330 1.00 0.25 C ATOM 541 CG2 VAL A 35 13.726 -3.412 1.365 1.00 0.22 C ATOM 0 H VAL A 35 12.553 -4.887 3.322 1.00 0.17 H new ATOM 0 HA VAL A 35 13.304 -2.545 4.680 1.00 0.19 H new ATOM 0 HB VAL A 35 14.627 -2.022 2.694 1.00 0.22 H new ATOM 0 HG11 VAL A 35 16.002 -4.075 2.652 1.00 0.25 H new ATOM 0 HG12 VAL A 35 15.498 -3.642 4.303 1.00 0.25 H new ATOM 0 HG13 VAL A 35 14.677 -4.965 3.441 1.00 0.25 H new ATOM 0 HG21 VAL A 35 14.608 -3.503 0.730 1.00 0.22 H new ATOM 0 HG22 VAL A 35 13.210 -4.371 1.409 1.00 0.22 H new ATOM 0 HG23 VAL A 35 13.057 -2.659 0.950 1.00 0.22 H new ATOM 551 N ALA A 36 10.987 -2.237 2.380 1.00 0.16 N ATOM 552 CA ALA A 36 9.974 -1.336 1.853 1.00 0.16 C ATOM 553 C ALA A 36 9.184 -0.705 2.993 1.00 0.15 C ATOM 554 O ALA A 36 9.069 0.517 3.072 1.00 0.15 O ATOM 555 CB ALA A 36 9.041 -2.070 0.896 1.00 0.18 C ATOM 0 H ALA A 36 10.870 -3.212 2.103 1.00 0.16 H new ATOM 0 HA ALA A 36 10.474 -0.544 1.296 1.00 0.16 H new ATOM 0 HB1 ALA A 36 8.292 -1.376 0.515 1.00 0.18 H new ATOM 0 HB2 ALA A 36 9.618 -2.475 0.064 1.00 0.18 H new ATOM 0 HB3 ALA A 36 8.546 -2.885 1.424 1.00 0.18 H new ATOM 561 N MET A 37 8.664 -1.544 3.889 1.00 0.14 N ATOM 562 CA MET A 37 7.889 -1.078 5.030 1.00 0.14 C ATOM 563 C MET A 37 8.669 -0.084 5.878 1.00 0.15 C ATOM 564 O MET A 37 8.124 0.930 6.306 1.00 0.18 O ATOM 565 CB MET A 37 7.461 -2.260 5.898 1.00 0.16 C ATOM 566 CG MET A 37 6.419 -3.155 5.253 1.00 0.16 C ATOM 567 SD MET A 37 5.829 -4.449 6.362 1.00 0.21 S ATOM 568 CE MET A 37 7.321 -5.408 6.610 1.00 0.19 C ATOM 0 H MET A 37 8.769 -2.557 3.842 1.00 0.14 H new ATOM 0 HA MET A 37 7.008 -0.571 4.636 1.00 0.14 H new ATOM 0 HB2 MET A 37 8.340 -2.858 6.138 1.00 0.16 H new ATOM 0 HB3 MET A 37 7.066 -1.881 6.841 1.00 0.16 H new ATOM 0 HG2 MET A 37 5.574 -2.547 4.929 1.00 0.16 H new ATOM 0 HG3 MET A 37 6.843 -3.613 4.360 1.00 0.16 H new ATOM 0 HE1 MET A 37 7.114 -6.234 7.290 1.00 0.19 H new ATOM 0 HE2 MET A 37 7.663 -5.803 5.653 1.00 0.19 H new ATOM 0 HE3 MET A 37 8.096 -4.772 7.038 1.00 0.19 H new ATOM 578 N ASP A 38 9.939 -0.380 6.130 1.00 0.17 N ATOM 579 CA ASP A 38 10.780 0.504 6.931 1.00 0.23 C ATOM 580 C ASP A 38 10.996 1.846 6.242 1.00 0.19 C ATOM 581 O ASP A 38 11.012 2.889 6.898 1.00 0.22 O ATOM 582 CB ASP A 38 12.120 -0.155 7.257 1.00 0.33 C ATOM 583 CG ASP A 38 12.023 -1.086 8.450 1.00 0.89 C ATOM 584 OD1 ASP A 38 11.496 -2.206 8.298 1.00 1.68 O ATOM 585 OD2 ASP A 38 12.460 -0.695 9.553 1.00 1.41 O ATOM 0 H ASP A 38 10.408 -1.221 5.793 1.00 0.17 H new ATOM 0 HA ASP A 38 10.254 0.690 7.868 1.00 0.23 H new ATOM 0 HB2 ASP A 38 12.469 -0.714 6.389 1.00 0.33 H new ATOM 0 HB3 ASP A 38 12.863 0.616 7.459 1.00 0.33 H new ATOM 590 N CYS A 39 11.143 1.825 4.922 1.00 0.17 N ATOM 591 CA CYS A 39 11.296 3.056 4.153 1.00 0.18 C ATOM 592 C CYS A 39 10.008 3.878 4.191 1.00 0.16 C ATOM 593 O CYS A 39 10.045 5.101 4.318 1.00 0.19 O ATOM 594 CB CYS A 39 11.681 2.742 2.706 1.00 0.20 C ATOM 595 SG CYS A 39 13.277 1.913 2.535 1.00 0.26 S ATOM 0 H CYS A 39 11.160 0.972 4.363 1.00 0.17 H new ATOM 0 HA CYS A 39 12.095 3.643 4.606 1.00 0.18 H new ATOM 0 HB2 CYS A 39 10.908 2.115 2.263 1.00 0.20 H new ATOM 0 HB3 CYS A 39 11.703 3.671 2.137 1.00 0.20 H new ATOM 0 HG CYS A 39 13.173 0.683 2.943 1.00 0.26 H new ATOM 601 N ILE A 40 8.872 3.195 4.101 1.00 0.13 N ATOM 602 CA ILE A 40 7.568 3.848 4.179 1.00 0.13 C ATOM 603 C ILE A 40 7.362 4.437 5.574 1.00 0.15 C ATOM 604 O ILE A 40 6.918 5.577 5.731 1.00 0.16 O ATOM 605 CB ILE A 40 6.433 2.847 3.870 1.00 0.13 C ATOM 606 CG1 ILE A 40 6.625 2.235 2.481 1.00 0.14 C ATOM 607 CG2 ILE A 40 5.079 3.530 3.963 1.00 0.16 C ATOM 608 CD1 ILE A 40 5.727 1.044 2.210 1.00 0.16 C ATOM 0 H ILE A 40 8.827 2.184 3.973 1.00 0.13 H new ATOM 0 HA ILE A 40 7.542 4.646 3.437 1.00 0.13 H new ATOM 0 HB ILE A 40 6.468 2.048 4.611 1.00 0.13 H new ATOM 0 HG12 ILE A 40 6.436 3.000 1.728 1.00 0.14 H new ATOM 0 HG13 ILE A 40 7.665 1.928 2.370 1.00 0.14 H new ATOM 0 HG21 ILE A 40 4.292 2.809 3.742 1.00 0.16 H new ATOM 0 HG22 ILE A 40 4.938 3.924 4.970 1.00 0.16 H new ATOM 0 HG23 ILE A 40 5.034 4.348 3.244 1.00 0.16 H new ATOM 0 HD11 ILE A 40 5.920 0.664 1.207 1.00 0.16 H new ATOM 0 HD12 ILE A 40 5.931 0.261 2.940 1.00 0.16 H new ATOM 0 HD13 ILE A 40 4.684 1.350 2.288 1.00 0.16 H new ATOM 620 N SER A 41 7.706 3.638 6.576 1.00 0.21 N ATOM 621 CA SER A 41 7.636 4.040 7.973 1.00 0.28 C ATOM 622 C SER A 41 8.436 5.317 8.210 1.00 0.30 C ATOM 623 O SER A 41 7.919 6.294 8.755 1.00 0.34 O ATOM 624 CB SER A 41 8.173 2.899 8.844 1.00 0.37 C ATOM 625 OG SER A 41 8.263 3.261 10.210 1.00 1.13 O ATOM 0 H SER A 41 8.044 2.685 6.440 1.00 0.21 H new ATOM 0 HA SER A 41 6.599 4.246 8.238 1.00 0.28 H new ATOM 0 HB2 SER A 41 7.522 2.031 8.743 1.00 0.37 H new ATOM 0 HB3 SER A 41 9.158 2.603 8.484 1.00 0.37 H new ATOM 0 HG SER A 41 7.377 3.518 10.539 1.00 1.13 H new ATOM 631 N GLU A 42 9.697 5.293 7.795 1.00 0.32 N ATOM 632 CA GLU A 42 10.583 6.441 7.942 1.00 0.37 C ATOM 633 C GLU A 42 10.048 7.650 7.177 1.00 0.31 C ATOM 634 O GLU A 42 10.136 8.783 7.650 1.00 0.44 O ATOM 635 CB GLU A 42 11.986 6.093 7.443 1.00 0.46 C ATOM 636 CG GLU A 42 13.008 7.182 7.716 1.00 0.59 C ATOM 637 CD GLU A 42 14.344 6.897 7.075 1.00 1.45 C ATOM 638 OE1 GLU A 42 15.113 6.082 7.623 1.00 2.00 O ATOM 639 OE2 GLU A 42 14.637 7.497 6.022 1.00 2.23 O ATOM 0 H GLU A 42 10.131 4.484 7.351 1.00 0.32 H new ATOM 0 HA GLU A 42 10.629 6.696 9.001 1.00 0.37 H new ATOM 0 HB2 GLU A 42 12.314 5.169 7.919 1.00 0.46 H new ATOM 0 HB3 GLU A 42 11.946 5.903 6.370 1.00 0.46 H new ATOM 0 HG2 GLU A 42 12.627 8.134 7.346 1.00 0.59 H new ATOM 0 HG3 GLU A 42 13.141 7.289 8.793 1.00 0.59 H new ATOM 646 N ALA A 43 9.487 7.399 6.001 1.00 0.18 N ATOM 647 CA ALA A 43 8.979 8.462 5.143 1.00 0.16 C ATOM 648 C ALA A 43 7.887 9.277 5.831 1.00 0.17 C ATOM 649 O ALA A 43 7.983 10.501 5.921 1.00 0.25 O ATOM 650 CB ALA A 43 8.459 7.881 3.838 1.00 0.19 C ATOM 0 H ALA A 43 9.372 6.461 5.617 1.00 0.18 H new ATOM 0 HA ALA A 43 9.808 9.137 4.931 1.00 0.16 H new ATOM 0 HB1 ALA A 43 8.082 8.685 3.206 1.00 0.19 H new ATOM 0 HB2 ALA A 43 9.268 7.363 3.323 1.00 0.19 H new ATOM 0 HB3 ALA A 43 7.653 7.177 4.048 1.00 0.19 H new ATOM 656 N PHE A 44 6.857 8.598 6.323 1.00 0.19 N ATOM 657 CA PHE A 44 5.714 9.282 6.921 1.00 0.26 C ATOM 658 C PHE A 44 5.904 9.519 8.419 1.00 0.30 C ATOM 659 O PHE A 44 5.107 10.212 9.055 1.00 0.35 O ATOM 660 CB PHE A 44 4.425 8.495 6.677 1.00 0.27 C ATOM 661 CG PHE A 44 4.016 8.438 5.234 1.00 0.27 C ATOM 662 CD1 PHE A 44 3.211 9.425 4.694 1.00 1.15 C ATOM 663 CD2 PHE A 44 4.430 7.396 4.420 1.00 1.10 C ATOM 664 CE1 PHE A 44 2.828 9.376 3.369 1.00 1.15 C ATOM 665 CE2 PHE A 44 4.047 7.343 3.094 1.00 1.13 C ATOM 666 CZ PHE A 44 3.245 8.335 2.568 1.00 0.31 C ATOM 0 H PHE A 44 6.789 7.580 6.320 1.00 0.19 H new ATOM 0 HA PHE A 44 5.638 10.256 6.437 1.00 0.26 H new ATOM 0 HB2 PHE A 44 4.555 7.479 7.049 1.00 0.27 H new ATOM 0 HB3 PHE A 44 3.619 8.946 7.256 1.00 0.27 H new ATOM 0 HD1 PHE A 44 2.879 10.243 5.316 1.00 1.15 H new ATOM 0 HD2 PHE A 44 5.058 6.617 4.826 1.00 1.10 H new ATOM 0 HE1 PHE A 44 2.201 10.154 2.960 1.00 1.15 H new ATOM 0 HE2 PHE A 44 4.375 6.525 2.469 1.00 1.13 H new ATOM 0 HZ PHE A 44 2.945 8.296 1.531 1.00 0.31 H new ATOM 676 N GLY A 45 6.958 8.931 8.974 1.00 0.29 N ATOM 677 CA GLY A 45 7.290 9.140 10.372 1.00 0.35 C ATOM 678 C GLY A 45 6.314 8.472 11.320 1.00 0.37 C ATOM 679 O GLY A 45 5.838 9.094 12.266 1.00 0.43 O ATOM 0 H GLY A 45 7.594 8.308 8.476 1.00 0.29 H new ATOM 0 HA2 GLY A 45 8.293 8.757 10.563 1.00 0.35 H new ATOM 0 HA3 GLY A 45 7.313 10.210 10.578 1.00 0.35 H new ATOM 683 N PHE A 46 6.021 7.204 11.076 1.00 0.36 N ATOM 684 CA PHE A 46 5.083 6.462 11.910 1.00 0.39 C ATOM 685 C PHE A 46 5.623 5.063 12.177 1.00 0.40 C ATOM 686 O PHE A 46 6.483 4.582 11.446 1.00 0.41 O ATOM 687 CB PHE A 46 3.710 6.376 11.228 1.00 0.37 C ATOM 688 CG PHE A 46 3.669 5.443 10.047 1.00 0.30 C ATOM 689 CD1 PHE A 46 4.280 5.781 8.853 1.00 1.17 C ATOM 690 CD2 PHE A 46 3.019 4.223 10.138 1.00 1.27 C ATOM 691 CE1 PHE A 46 4.245 4.922 7.772 1.00 1.18 C ATOM 692 CE2 PHE A 46 2.981 3.360 9.062 1.00 1.26 C ATOM 693 CZ PHE A 46 3.595 3.709 7.877 1.00 0.22 C ATOM 0 H PHE A 46 6.419 6.665 10.307 1.00 0.36 H new ATOM 0 HA PHE A 46 4.966 6.987 12.858 1.00 0.39 H new ATOM 0 HB2 PHE A 46 2.972 6.050 11.961 1.00 0.37 H new ATOM 0 HB3 PHE A 46 3.416 7.373 10.900 1.00 0.37 H new ATOM 0 HD1 PHE A 46 4.791 6.728 8.765 1.00 1.17 H new ATOM 0 HD2 PHE A 46 2.536 3.944 11.063 1.00 1.27 H new ATOM 0 HE1 PHE A 46 4.726 5.199 6.845 1.00 1.18 H new ATOM 0 HE2 PHE A 46 2.471 2.412 9.147 1.00 1.26 H new ATOM 0 HZ PHE A 46 3.567 3.035 7.034 1.00 0.22 H new ATOM 703 N GLU A 47 5.107 4.413 13.211 1.00 0.42 N ATOM 704 CA GLU A 47 5.553 3.073 13.577 1.00 0.44 C ATOM 705 C GLU A 47 4.706 2.024 12.870 1.00 0.40 C ATOM 706 O GLU A 47 3.542 2.267 12.554 1.00 0.39 O ATOM 707 CB GLU A 47 5.456 2.886 15.090 1.00 0.53 C ATOM 708 CG GLU A 47 6.426 3.752 15.870 1.00 0.59 C ATOM 709 CD GLU A 47 6.176 3.699 17.359 1.00 1.14 C ATOM 710 OE1 GLU A 47 6.512 2.675 17.987 1.00 1.56 O ATOM 711 OE2 GLU A 47 5.632 4.679 17.910 1.00 1.92 O ATOM 0 H GLU A 47 4.377 4.792 13.814 1.00 0.42 H new ATOM 0 HA GLU A 47 6.591 2.953 13.268 1.00 0.44 H new ATOM 0 HB2 GLU A 47 4.439 3.113 15.412 1.00 0.53 H new ATOM 0 HB3 GLU A 47 5.641 1.839 15.331 1.00 0.53 H new ATOM 0 HG2 GLU A 47 7.446 3.427 15.664 1.00 0.59 H new ATOM 0 HG3 GLU A 47 6.345 4.783 15.527 1.00 0.59 H new ATOM 718 N ARG A 48 5.281 0.842 12.664 1.00 0.41 N ATOM 719 CA ARG A 48 4.632 -0.197 11.871 1.00 0.40 C ATOM 720 C ARG A 48 3.593 -0.924 12.714 1.00 0.41 C ATOM 721 O ARG A 48 2.658 -1.521 12.192 1.00 0.43 O ATOM 722 CB ARG A 48 5.654 -1.211 11.342 1.00 0.44 C ATOM 723 CG ARG A 48 6.869 -0.591 10.669 1.00 0.61 C ATOM 724 CD ARG A 48 7.761 -1.657 10.042 1.00 0.91 C ATOM 725 NE ARG A 48 7.959 -2.806 10.928 1.00 1.18 N ATOM 726 CZ ARG A 48 8.810 -3.805 10.689 1.00 1.88 C ATOM 727 NH1 ARG A 48 9.661 -3.743 9.671 1.00 2.57 N ATOM 728 NH2 ARG A 48 8.838 -4.855 11.496 1.00 2.20 N ATOM 0 H ARG A 48 6.194 0.580 13.035 1.00 0.41 H new ATOM 0 HA ARG A 48 4.148 0.285 11.022 1.00 0.40 H new ATOM 0 HB2 ARG A 48 5.992 -1.833 12.171 1.00 0.44 H new ATOM 0 HB3 ARG A 48 5.157 -1.870 10.630 1.00 0.44 H new ATOM 0 HG2 ARG A 48 6.543 0.111 9.901 1.00 0.61 H new ATOM 0 HG3 ARG A 48 7.441 -0.020 11.401 1.00 0.61 H new ATOM 0 HD2 ARG A 48 7.317 -1.995 9.106 1.00 0.91 H new ATOM 0 HD3 ARG A 48 8.729 -1.220 9.796 1.00 0.91 H new ATOM 0 HE ARG A 48 7.409 -2.845 11.786 1.00 1.18 H new ATOM 0 HH11 ARG A 48 9.669 -2.925 9.062 1.00 2.57 H new ATOM 0 HH12 ARG A 48 10.307 -4.513 9.499 1.00 2.57 H new ATOM 0 HH21 ARG A 48 8.210 -4.899 12.298 1.00 2.20 H new ATOM 0 HH22 ARG A 48 9.488 -5.620 11.315 1.00 2.20 H new ATOM 742 N GLU A 49 3.786 -0.885 14.026 1.00 0.42 N ATOM 743 CA GLU A 49 2.865 -1.526 14.957 1.00 0.46 C ATOM 744 C GLU A 49 1.727 -0.580 15.329 1.00 0.42 C ATOM 745 O GLU A 49 0.707 -1.001 15.872 1.00 0.46 O ATOM 746 CB GLU A 49 3.607 -1.964 16.221 1.00 0.56 C ATOM 747 CG GLU A 49 4.188 -0.804 17.015 1.00 1.14 C ATOM 748 CD GLU A 49 4.820 -1.244 18.317 1.00 1.54 C ATOM 749 OE1 GLU A 49 4.073 -1.641 19.235 1.00 2.06 O ATOM 750 OE2 GLU A 49 6.063 -1.176 18.439 1.00 2.23 O ATOM 0 H GLU A 49 4.574 -0.415 14.471 1.00 0.42 H new ATOM 0 HA GLU A 49 2.444 -2.404 14.467 1.00 0.46 H new ATOM 0 HB2 GLU A 49 2.923 -2.524 16.859 1.00 0.56 H new ATOM 0 HB3 GLU A 49 4.413 -2.644 15.943 1.00 0.56 H new ATOM 0 HG2 GLU A 49 4.935 -0.292 16.408 1.00 1.14 H new ATOM 0 HG3 GLU A 49 3.399 -0.082 17.225 1.00 1.14 H new ATOM 757 N ALA A 50 1.906 0.700 15.023 1.00 0.40 N ATOM 758 CA ALA A 50 0.927 1.718 15.380 1.00 0.42 C ATOM 759 C ALA A 50 -0.186 1.793 14.344 1.00 0.37 C ATOM 760 O ALA A 50 -1.099 2.613 14.453 1.00 0.41 O ATOM 761 CB ALA A 50 1.607 3.071 15.524 1.00 0.48 C ATOM 0 H ALA A 50 2.723 1.057 14.527 1.00 0.40 H new ATOM 0 HA ALA A 50 0.481 1.442 16.335 1.00 0.42 H new ATOM 0 HB1 ALA A 50 0.866 3.824 15.791 1.00 0.48 H new ATOM 0 HB2 ALA A 50 2.366 3.016 16.305 1.00 0.48 H new ATOM 0 HB3 ALA A 50 2.078 3.344 14.580 1.00 0.48 H new ATOM 767 N VAL A 51 -0.089 0.933 13.334 1.00 0.33 N ATOM 768 CA VAL A 51 -1.064 0.888 12.251 1.00 0.31 C ATOM 769 C VAL A 51 -2.500 0.814 12.761 1.00 0.36 C ATOM 770 O VAL A 51 -3.360 1.527 12.263 1.00 0.41 O ATOM 771 CB VAL A 51 -0.802 -0.290 11.289 1.00 0.29 C ATOM 772 CG1 VAL A 51 0.484 -0.068 10.517 1.00 0.27 C ATOM 773 CG2 VAL A 51 -0.751 -1.611 12.042 1.00 0.33 C ATOM 0 H VAL A 51 0.664 0.251 13.244 1.00 0.33 H new ATOM 0 HA VAL A 51 -0.941 1.824 11.707 1.00 0.31 H new ATOM 0 HB VAL A 51 -1.629 -0.338 10.581 1.00 0.29 H new ATOM 0 HG11 VAL A 51 0.654 -0.908 9.843 1.00 0.27 H new ATOM 0 HG12 VAL A 51 0.406 0.852 9.938 1.00 0.27 H new ATOM 0 HG13 VAL A 51 1.318 0.012 11.214 1.00 0.27 H new ATOM 0 HG21 VAL A 51 -0.565 -2.423 11.339 1.00 0.33 H new ATOM 0 HG22 VAL A 51 0.051 -1.579 12.780 1.00 0.33 H new ATOM 0 HG23 VAL A 51 -1.702 -1.779 12.547 1.00 0.33 H new ATOM 783 N SER A 52 -2.752 -0.020 13.763 1.00 0.37 N ATOM 784 CA SER A 52 -4.096 -0.194 14.295 1.00 0.45 C ATOM 785 C SER A 52 -4.649 1.128 14.827 1.00 0.48 C ATOM 786 O SER A 52 -5.777 1.517 14.510 1.00 0.51 O ATOM 787 CB SER A 52 -4.077 -1.257 15.391 1.00 0.53 C ATOM 788 OG SER A 52 -2.949 -1.088 16.234 1.00 1.24 O ATOM 0 H SER A 52 -2.040 -0.587 14.224 1.00 0.37 H new ATOM 0 HA SER A 52 -4.754 -0.525 13.492 1.00 0.45 H new ATOM 0 HB2 SER A 52 -4.991 -1.194 15.981 1.00 0.53 H new ATOM 0 HB3 SER A 52 -4.056 -2.250 14.941 1.00 0.53 H new ATOM 0 HG SER A 52 -2.955 -1.777 16.931 1.00 1.24 H new ATOM 794 N GLY A 53 -3.844 1.811 15.630 1.00 0.51 N ATOM 795 CA GLY A 53 -4.218 3.119 16.137 1.00 0.57 C ATOM 796 C GLY A 53 -4.512 4.110 15.027 1.00 0.55 C ATOM 797 O GLY A 53 -5.496 4.847 15.090 1.00 0.59 O ATOM 0 H GLY A 53 -2.931 1.480 15.942 1.00 0.51 H new ATOM 0 HA2 GLY A 53 -5.097 3.020 16.774 1.00 0.57 H new ATOM 0 HA3 GLY A 53 -3.413 3.507 16.762 1.00 0.57 H new ATOM 801 N ILE A 54 -3.670 4.118 14.003 1.00 0.50 N ATOM 802 CA ILE A 54 -3.842 5.032 12.880 1.00 0.51 C ATOM 803 C ILE A 54 -5.073 4.652 12.057 1.00 0.50 C ATOM 804 O ILE A 54 -5.909 5.496 11.749 1.00 0.57 O ATOM 805 CB ILE A 54 -2.598 5.043 11.966 1.00 0.49 C ATOM 806 CG1 ILE A 54 -1.346 5.394 12.777 1.00 0.48 C ATOM 807 CG2 ILE A 54 -2.785 6.035 10.825 1.00 0.55 C ATOM 808 CD1 ILE A 54 -0.064 5.353 11.974 1.00 0.49 C ATOM 0 H ILE A 54 -2.861 3.502 13.926 1.00 0.50 H new ATOM 0 HA ILE A 54 -3.978 6.031 13.294 1.00 0.51 H new ATOM 0 HB ILE A 54 -2.471 4.047 11.541 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -1.467 6.391 13.200 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -1.261 4.701 13.614 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -1.899 6.030 10.190 1.00 0.55 H new ATOM 0 HG22 ILE A 54 -3.656 5.751 10.235 1.00 0.55 H new ATOM 0 HG23 ILE A 54 -2.934 7.035 11.233 1.00 0.55 H new ATOM 0 HD11 ILE A 54 0.777 5.613 12.617 1.00 0.49 H new ATOM 0 HD12 ILE A 54 0.082 4.350 11.573 1.00 0.49 H new ATOM 0 HD13 ILE A 54 -0.126 6.067 11.152 1.00 0.49 H new ATOM 820 N LEU A 55 -5.163 3.376 11.708 1.00 0.47 N ATOM 821 CA LEU A 55 -6.297 2.849 10.954 1.00 0.48 C ATOM 822 C LEU A 55 -7.618 3.115 11.671 1.00 0.55 C ATOM 823 O LEU A 55 -8.653 3.282 11.031 1.00 0.65 O ATOM 824 CB LEU A 55 -6.122 1.349 10.694 1.00 0.48 C ATOM 825 CG LEU A 55 -4.902 0.983 9.843 1.00 0.46 C ATOM 826 CD1 LEU A 55 -4.832 -0.516 9.613 1.00 0.52 C ATOM 827 CD2 LEU A 55 -4.934 1.726 8.518 1.00 0.46 C ATOM 0 H LEU A 55 -4.456 2.678 11.938 1.00 0.47 H new ATOM 0 HA LEU A 55 -6.327 3.369 9.997 1.00 0.48 H new ATOM 0 HB2 LEU A 55 -6.047 0.835 11.652 1.00 0.48 H new ATOM 0 HB3 LEU A 55 -7.018 0.973 10.200 1.00 0.48 H new ATOM 0 HG LEU A 55 -4.006 1.284 10.386 1.00 0.46 H new ATOM 0 HD11 LEU A 55 -3.957 -0.751 9.006 1.00 0.52 H new ATOM 0 HD12 LEU A 55 -4.756 -1.028 10.572 1.00 0.52 H new ATOM 0 HD13 LEU A 55 -5.732 -0.847 9.095 1.00 0.52 H new ATOM 0 HD21 LEU A 55 -4.060 1.454 7.927 1.00 0.46 H new ATOM 0 HD22 LEU A 55 -5.839 1.458 7.972 1.00 0.46 H new ATOM 0 HD23 LEU A 55 -4.927 2.800 8.703 1.00 0.46 H new ATOM 839 N GLY A 56 -7.586 3.137 12.998 1.00 0.58 N ATOM 840 CA GLY A 56 -8.758 3.521 13.772 1.00 0.70 C ATOM 841 C GLY A 56 -9.296 4.903 13.421 1.00 0.81 C ATOM 842 O GLY A 56 -10.458 5.207 13.695 1.00 0.91 O ATOM 0 H GLY A 56 -6.767 2.895 13.556 1.00 0.58 H new ATOM 0 HA2 GLY A 56 -9.545 2.783 13.614 1.00 0.70 H new ATOM 0 HA3 GLY A 56 -8.507 3.497 14.832 1.00 0.70 H new ATOM 846 N LYS A 57 -8.463 5.738 12.808 1.00 0.87 N ATOM 847 CA LYS A 57 -8.868 7.091 12.442 1.00 1.05 C ATOM 848 C LYS A 57 -9.483 7.125 11.045 1.00 0.92 C ATOM 849 O LYS A 57 -9.883 8.187 10.572 1.00 1.07 O ATOM 850 CB LYS A 57 -7.670 8.046 12.478 1.00 1.28 C ATOM 851 CG LYS A 57 -6.929 8.079 13.805 1.00 1.08 C ATOM 852 CD LYS A 57 -5.819 9.125 13.800 1.00 1.27 C ATOM 853 CE LYS A 57 -4.790 8.861 12.707 1.00 1.63 C ATOM 854 NZ LYS A 57 -3.707 9.882 12.702 1.00 2.22 N ATOM 0 H LYS A 57 -7.504 5.502 12.554 1.00 0.87 H new ATOM 0 HA LYS A 57 -9.614 7.411 13.170 1.00 1.05 H new ATOM 0 HB2 LYS A 57 -6.970 7.760 11.693 1.00 1.28 H new ATOM 0 HB3 LYS A 57 -8.017 9.053 12.245 1.00 1.28 H new ATOM 0 HG2 LYS A 57 -7.631 8.296 14.610 1.00 1.08 H new ATOM 0 HG3 LYS A 57 -6.504 7.097 14.010 1.00 1.08 H new ATOM 0 HD2 LYS A 57 -6.254 10.114 13.657 1.00 1.27 H new ATOM 0 HD3 LYS A 57 -5.323 9.132 14.771 1.00 1.27 H new ATOM 0 HE2 LYS A 57 -4.355 7.872 12.850 1.00 1.63 H new ATOM 0 HE3 LYS A 57 -5.286 8.854 11.736 1.00 1.63 H new ATOM 0 HZ1 LYS A 57 -2.953 9.585 12.051 1.00 2.22 H new ATOM 0 HZ2 LYS A 57 -4.093 10.796 12.391 1.00 2.22 H new ATOM 0 HZ3 LYS A 57 -3.317 9.980 13.661 1.00 2.22 H new ATOM 868 N SER A 58 -9.564 5.962 10.397 1.00 0.80 N ATOM 869 CA SER A 58 -9.993 5.872 9.001 1.00 0.90 C ATOM 870 C SER A 58 -11.345 6.545 8.758 1.00 1.09 C ATOM 871 O SER A 58 -12.334 6.271 9.446 1.00 1.50 O ATOM 872 CB SER A 58 -10.047 4.409 8.552 1.00 1.28 C ATOM 873 OG SER A 58 -10.769 3.610 9.476 1.00 1.94 O ATOM 0 H SER A 58 -9.336 5.063 10.821 1.00 0.80 H new ATOM 0 HA SER A 58 -9.253 6.409 8.407 1.00 0.90 H new ATOM 0 HB2 SER A 58 -10.516 4.345 7.570 1.00 1.28 H new ATOM 0 HB3 SER A 58 -9.034 4.021 8.448 1.00 1.28 H new ATOM 0 HG SER A 58 -10.167 3.308 10.187 1.00 1.94 H new ATOM 879 N GLU A 59 -11.368 7.442 7.781 1.00 1.63 N ATOM 880 CA GLU A 59 -12.591 8.128 7.385 1.00 2.19 C ATOM 881 C GLU A 59 -13.390 7.272 6.403 1.00 1.90 C ATOM 882 O GLU A 59 -14.574 7.520 6.176 1.00 2.43 O ATOM 883 CB GLU A 59 -12.246 9.479 6.745 1.00 3.11 C ATOM 884 CG GLU A 59 -13.445 10.375 6.500 1.00 3.92 C ATOM 885 CD GLU A 59 -14.139 10.771 7.785 1.00 4.48 C ATOM 886 OE1 GLU A 59 -13.713 11.767 8.408 1.00 5.07 O ATOM 887 OE2 GLU A 59 -15.107 10.088 8.182 1.00 4.69 O ATOM 0 H GLU A 59 -10.545 7.713 7.243 1.00 1.63 H new ATOM 0 HA GLU A 59 -13.201 8.297 8.272 1.00 2.19 H new ATOM 0 HB2 GLU A 59 -11.540 10.004 7.389 1.00 3.11 H new ATOM 0 HB3 GLU A 59 -11.740 9.300 5.796 1.00 3.11 H new ATOM 0 HG2 GLU A 59 -13.123 11.273 5.972 1.00 3.92 H new ATOM 0 HG3 GLU A 59 -14.153 9.860 5.851 1.00 3.92 H new ATOM 894 N PHE A 60 -12.733 6.257 5.846 1.00 1.45 N ATOM 895 CA PHE A 60 -13.331 5.393 4.830 1.00 1.68 C ATOM 896 C PHE A 60 -14.678 4.835 5.275 1.00 2.22 C ATOM 897 O PHE A 60 -14.751 4.012 6.193 1.00 2.78 O ATOM 898 CB PHE A 60 -12.400 4.224 4.502 1.00 1.52 C ATOM 899 CG PHE A 60 -11.086 4.627 3.901 1.00 1.39 C ATOM 900 CD1 PHE A 60 -11.021 5.074 2.593 1.00 1.90 C ATOM 901 CD2 PHE A 60 -9.914 4.539 4.636 1.00 1.92 C ATOM 902 CE1 PHE A 60 -9.815 5.429 2.027 1.00 2.30 C ATOM 903 CE2 PHE A 60 -8.705 4.896 4.075 1.00 2.24 C ATOM 904 CZ PHE A 60 -8.657 5.339 2.770 1.00 2.23 C ATOM 0 H PHE A 60 -11.773 6.010 6.086 1.00 1.45 H new ATOM 0 HA PHE A 60 -13.485 6.010 3.945 1.00 1.68 H new ATOM 0 HB2 PHE A 60 -12.210 3.660 5.415 1.00 1.52 H new ATOM 0 HB3 PHE A 60 -12.910 3.552 3.812 1.00 1.52 H new ATOM 0 HD1 PHE A 60 -11.926 5.146 2.008 1.00 1.90 H new ATOM 0 HD2 PHE A 60 -9.947 4.188 5.657 1.00 1.92 H new ATOM 0 HE1 PHE A 60 -9.777 5.776 1.005 1.00 2.30 H new ATOM 0 HE2 PHE A 60 -7.798 4.829 4.657 1.00 2.24 H new ATOM 0 HZ PHE A 60 -7.711 5.616 2.329 1.00 2.23 H new ATOM 914 N LYS A 61 -15.739 5.282 4.621 1.00 2.58 N ATOM 915 CA LYS A 61 -17.073 4.771 4.903 1.00 3.16 C ATOM 916 C LYS A 61 -17.489 3.763 3.839 1.00 3.27 C ATOM 917 O LYS A 61 -18.605 3.240 3.864 1.00 3.95 O ATOM 918 CB LYS A 61 -18.096 5.908 4.990 1.00 3.87 C ATOM 919 CG LYS A 61 -18.183 6.760 3.738 1.00 4.32 C ATOM 920 CD LYS A 61 -19.250 7.833 3.867 1.00 5.04 C ATOM 921 CE LYS A 61 -19.214 8.798 2.694 1.00 5.71 C ATOM 922 NZ LYS A 61 -17.987 9.636 2.699 1.00 6.17 N ATOM 0 H LYS A 61 -15.703 5.996 3.893 1.00 2.58 H new ATOM 0 HA LYS A 61 -17.044 4.271 5.871 1.00 3.16 H new ATOM 0 HB2 LYS A 61 -19.078 5.483 5.197 1.00 3.87 H new ATOM 0 HB3 LYS A 61 -17.841 6.548 5.835 1.00 3.87 H new ATOM 0 HG2 LYS A 61 -17.217 7.227 3.547 1.00 4.32 H new ATOM 0 HG3 LYS A 61 -18.405 6.126 2.880 1.00 4.32 H new ATOM 0 HD2 LYS A 61 -20.233 7.365 3.925 1.00 5.04 H new ATOM 0 HD3 LYS A 61 -19.104 8.383 4.797 1.00 5.04 H new ATOM 0 HE2 LYS A 61 -19.266 8.237 1.761 1.00 5.71 H new ATOM 0 HE3 LYS A 61 -20.093 9.442 2.727 1.00 5.71 H new ATOM 0 HZ1 LYS A 61 -17.978 10.244 1.855 1.00 6.17 H new ATOM 0 HZ2 LYS A 61 -17.975 10.229 3.553 1.00 6.17 H new ATOM 0 HZ3 LYS A 61 -17.147 9.022 2.692 1.00 6.17 H new ATOM 936 N GLY A 62 -16.588 3.499 2.903 1.00 2.98 N ATOM 937 CA GLY A 62 -16.831 2.477 1.905 1.00 3.30 C ATOM 938 C GLY A 62 -16.463 1.101 2.418 1.00 2.72 C ATOM 939 O GLY A 62 -16.922 0.086 1.893 1.00 2.96 O ATOM 0 H GLY A 62 -15.690 3.976 2.817 1.00 2.98 H new ATOM 0 HA2 GLY A 62 -17.882 2.490 1.618 1.00 3.30 H new ATOM 0 HA3 GLY A 62 -16.253 2.698 1.008 1.00 3.30 H new ATOM 943 N GLN A 63 -15.643 1.078 3.461 1.00 2.45 N ATOM 944 CA GLN A 63 -15.226 -0.170 4.087 1.00 2.63 C ATOM 945 C GLN A 63 -16.416 -0.858 4.747 1.00 3.02 C ATOM 946 O GLN A 63 -17.171 -0.227 5.490 1.00 2.99 O ATOM 947 CB GLN A 63 -14.138 0.091 5.128 1.00 3.07 C ATOM 948 CG GLN A 63 -12.839 0.619 4.545 1.00 3.23 C ATOM 949 CD GLN A 63 -11.783 0.884 5.606 1.00 3.65 C ATOM 950 OE1 GLN A 63 -12.216 1.251 6.803 1.00 4.20 O flip ATOM 951 NE2 GLN A 63 -10.588 0.759 5.353 1.00 3.79 N flip ATOM 0 H GLN A 63 -15.252 1.915 3.893 1.00 2.45 H new ATOM 0 HA GLN A 63 -14.824 -0.822 3.312 1.00 2.63 H new ATOM 0 HB2 GLN A 63 -14.513 0.807 5.859 1.00 3.07 H new ATOM 0 HB3 GLN A 63 -13.933 -0.835 5.665 1.00 3.07 H new ATOM 0 HG2 GLN A 63 -12.451 -0.100 3.824 1.00 3.23 H new ATOM 0 HG3 GLN A 63 -13.039 1.541 3.999 1.00 3.23 H new ATOM 0 HE21 GLN A 63 -10.291 0.475 4.419 1.00 3.79 H new ATOM 0 HE22 GLN A 63 -9.892 0.940 6.076 1.00 3.79 H new ATOM 960 N HIS A 64 -16.585 -2.142 4.466 1.00 3.73 N ATOM 961 CA HIS A 64 -17.693 -2.912 5.017 1.00 4.39 C ATOM 962 C HIS A 64 -17.458 -4.409 4.827 1.00 4.16 C ATOM 963 O HIS A 64 -17.893 -5.222 5.641 1.00 4.37 O ATOM 964 CB HIS A 64 -19.012 -2.501 4.350 1.00 5.09 C ATOM 965 CG HIS A 64 -20.204 -3.248 4.863 1.00 5.77 C ATOM 966 ND1 HIS A 64 -20.932 -4.126 4.091 1.00 6.36 N ATOM 967 CD2 HIS A 64 -20.796 -3.241 6.078 1.00 6.25 C ATOM 968 CE1 HIS A 64 -21.919 -4.625 4.809 1.00 7.06 C ATOM 969 NE2 HIS A 64 -21.858 -4.106 6.019 1.00 7.03 N ATOM 0 H HIS A 64 -15.966 -2.676 3.856 1.00 3.73 H new ATOM 0 HA HIS A 64 -17.755 -2.702 6.085 1.00 4.39 H new ATOM 0 HB2 HIS A 64 -19.169 -1.433 4.504 1.00 5.09 H new ATOM 0 HB3 HIS A 64 -18.930 -2.660 3.275 1.00 5.09 H new ATOM 0 HD2 HIS A 64 -20.489 -2.661 6.936 1.00 6.25 H new ATOM 0 HE1 HIS A 64 -22.653 -5.338 4.464 1.00 7.06 H new ATOM 0 HE2 HIS A 64 -22.497 -4.314 6.786 1.00 7.03 H new ATOM 978 N LEU A 65 -16.763 -4.763 3.756 1.00 4.08 N ATOM 979 CA LEU A 65 -16.524 -6.161 3.423 1.00 4.03 C ATOM 980 C LEU A 65 -15.341 -6.710 4.212 1.00 3.36 C ATOM 981 O LEU A 65 -14.567 -5.956 4.802 1.00 3.66 O ATOM 982 CB LEU A 65 -16.261 -6.332 1.920 1.00 5.02 C ATOM 983 CG LEU A 65 -17.442 -6.031 0.988 1.00 6.06 C ATOM 984 CD1 LEU A 65 -17.683 -4.534 0.864 1.00 6.82 C ATOM 985 CD2 LEU A 65 -17.203 -6.647 -0.380 1.00 6.71 C ATOM 0 H LEU A 65 -16.353 -4.099 3.100 1.00 4.08 H new ATOM 0 HA LEU A 65 -17.421 -6.720 3.689 1.00 4.03 H new ATOM 0 HB2 LEU A 65 -15.431 -5.683 1.641 1.00 5.02 H new ATOM 0 HB3 LEU A 65 -15.938 -7.358 1.743 1.00 5.02 H new ATOM 0 HG LEU A 65 -18.337 -6.476 1.424 1.00 6.06 H new ATOM 0 HD11 LEU A 65 -18.526 -4.355 0.197 1.00 6.82 H new ATOM 0 HD12 LEU A 65 -17.904 -4.118 1.847 1.00 6.82 H new ATOM 0 HD13 LEU A 65 -16.792 -4.054 0.459 1.00 6.82 H new ATOM 0 HD21 LEU A 65 -18.049 -6.426 -1.031 1.00 6.71 H new ATOM 0 HD22 LEU A 65 -16.293 -6.231 -0.813 1.00 6.71 H new ATOM 0 HD23 LEU A 65 -17.096 -7.727 -0.279 1.00 6.71 H new ATOM 997 N ALA A 66 -15.216 -8.030 4.232 1.00 3.04 N ATOM 998 CA ALA A 66 -14.079 -8.684 4.867 1.00 2.94 C ATOM 999 C ALA A 66 -12.951 -8.867 3.855 1.00 2.88 C ATOM 1000 O ALA A 66 -12.246 -9.881 3.851 1.00 3.12 O ATOM 1001 CB ALA A 66 -14.500 -10.018 5.466 1.00 3.20 C ATOM 0 H ALA A 66 -15.890 -8.671 3.814 1.00 3.04 H new ATOM 0 HA ALA A 66 -13.713 -8.054 5.678 1.00 2.94 H new ATOM 0 HB1 ALA A 66 -13.639 -10.493 5.936 1.00 3.20 H new ATOM 0 HB2 ALA A 66 -15.276 -9.853 6.213 1.00 3.20 H new ATOM 0 HB3 ALA A 66 -14.886 -10.665 4.678 1.00 3.20 H new ATOM 1007 N ASP A 67 -12.815 -7.879 2.983 1.00 3.15 N ATOM 1008 CA ASP A 67 -11.789 -7.865 1.952 1.00 3.66 C ATOM 1009 C ASP A 67 -10.466 -7.357 2.519 1.00 3.20 C ATOM 1010 O ASP A 67 -9.421 -7.986 2.351 1.00 3.63 O ATOM 1011 CB ASP A 67 -12.239 -7.002 0.760 1.00 4.56 C ATOM 1012 CG ASP A 67 -12.569 -5.564 1.138 1.00 5.19 C ATOM 1013 OD1 ASP A 67 -13.030 -5.331 2.276 1.00 5.67 O ATOM 1014 OD2 ASP A 67 -12.370 -4.662 0.300 1.00 5.58 O ATOM 0 H ASP A 67 -13.419 -7.057 2.971 1.00 3.15 H new ATOM 0 HA ASP A 67 -11.638 -8.885 1.599 1.00 3.66 H new ATOM 0 HB2 ASP A 67 -11.451 -6.999 0.007 1.00 4.56 H new ATOM 0 HB3 ASP A 67 -13.116 -7.459 0.302 1.00 4.56 H new ATOM 1019 N ILE A 68 -10.515 -6.220 3.198 1.00 2.65 N ATOM 1020 CA ILE A 68 -9.328 -5.644 3.812 1.00 2.40 C ATOM 1021 C ILE A 68 -8.996 -6.374 5.115 1.00 2.11 C ATOM 1022 O ILE A 68 -9.433 -5.981 6.199 1.00 2.20 O ATOM 1023 CB ILE A 68 -9.517 -4.135 4.088 1.00 2.47 C ATOM 1024 CG1 ILE A 68 -10.035 -3.428 2.832 1.00 2.83 C ATOM 1025 CG2 ILE A 68 -8.205 -3.508 4.543 1.00 2.89 C ATOM 1026 CD1 ILE A 68 -10.337 -1.959 3.038 1.00 3.35 C ATOM 0 H ILE A 68 -11.367 -5.677 3.338 1.00 2.65 H new ATOM 0 HA ILE A 68 -8.500 -5.763 3.113 1.00 2.40 H new ATOM 0 HB ILE A 68 -10.251 -4.018 4.885 1.00 2.47 H new ATOM 0 HG12 ILE A 68 -9.295 -3.529 2.038 1.00 2.83 H new ATOM 0 HG13 ILE A 68 -10.940 -3.931 2.490 1.00 2.83 H new ATOM 0 HG21 ILE A 68 -8.356 -2.445 4.733 1.00 2.89 H new ATOM 0 HG22 ILE A 68 -7.867 -3.995 5.457 1.00 2.89 H new ATOM 0 HG23 ILE A 68 -7.452 -3.634 3.765 1.00 2.89 H new ATOM 0 HD11 ILE A 68 -10.699 -1.528 2.105 1.00 3.35 H new ATOM 0 HD12 ILE A 68 -11.100 -1.849 3.809 1.00 3.35 H new ATOM 0 HD13 ILE A 68 -9.430 -1.441 3.349 1.00 3.35 H new ATOM 1038 N LEU A 69 -8.226 -7.448 4.992 1.00 2.12 N ATOM 1039 CA LEU A 69 -7.848 -8.276 6.137 1.00 2.20 C ATOM 1040 C LEU A 69 -6.853 -7.545 7.032 1.00 1.98 C ATOM 1041 O LEU A 69 -6.723 -7.837 8.220 1.00 2.20 O ATOM 1042 CB LEU A 69 -7.229 -9.586 5.646 1.00 2.63 C ATOM 1043 CG LEU A 69 -8.075 -10.368 4.637 1.00 3.03 C ATOM 1044 CD1 LEU A 69 -7.310 -11.577 4.127 1.00 3.56 C ATOM 1045 CD2 LEU A 69 -9.393 -10.796 5.263 1.00 3.46 C ATOM 0 H LEU A 69 -7.846 -7.771 4.102 1.00 2.12 H new ATOM 0 HA LEU A 69 -8.746 -8.489 6.718 1.00 2.20 H new ATOM 0 HB2 LEU A 69 -6.263 -9.365 5.192 1.00 2.63 H new ATOM 0 HB3 LEU A 69 -7.038 -10.225 6.508 1.00 2.63 H new ATOM 0 HG LEU A 69 -8.293 -9.716 3.791 1.00 3.03 H new ATOM 0 HD11 LEU A 69 -7.926 -12.122 3.411 1.00 3.56 H new ATOM 0 HD12 LEU A 69 -6.392 -11.248 3.640 1.00 3.56 H new ATOM 0 HD13 LEU A 69 -7.063 -12.230 4.964 1.00 3.56 H new ATOM 0 HD21 LEU A 69 -9.980 -11.350 4.531 1.00 3.46 H new ATOM 0 HD22 LEU A 69 -9.196 -11.431 6.127 1.00 3.46 H new ATOM 0 HD23 LEU A 69 -9.948 -9.914 5.581 1.00 3.46 H new ATOM 1057 N ASN A 70 -6.169 -6.577 6.449 1.00 1.73 N ATOM 1058 CA ASN A 70 -5.135 -5.820 7.139 1.00 1.61 C ATOM 1059 C ASN A 70 -5.699 -4.561 7.789 1.00 1.69 C ATOM 1060 O ASN A 70 -4.961 -3.613 8.062 1.00 1.92 O ATOM 1061 CB ASN A 70 -4.004 -5.445 6.177 1.00 1.73 C ATOM 1062 CG ASN A 70 -4.498 -4.774 4.907 1.00 1.83 C ATOM 1063 OD1 ASN A 70 -5.500 -5.180 4.315 1.00 2.22 O ATOM 1064 ND2 ASN A 70 -3.818 -3.726 4.495 1.00 2.26 N ATOM 0 H ASN A 70 -6.314 -6.291 5.481 1.00 1.73 H new ATOM 0 HA ASN A 70 -4.737 -6.461 7.926 1.00 1.61 H new ATOM 0 HB2 ASN A 70 -3.309 -4.778 6.686 1.00 1.73 H new ATOM 0 HB3 ASN A 70 -3.447 -6.344 5.913 1.00 1.73 H new ATOM 0 HD21 ASN A 70 -4.116 -3.221 3.660 1.00 2.26 H new ATOM 0 HD22 ASN A 70 -2.993 -3.418 5.010 1.00 2.26 H new ATOM 1071 N SER A 71 -7.008 -4.542 8.017 1.00 1.83 N ATOM 1072 CA SER A 71 -7.642 -3.429 8.719 1.00 2.33 C ATOM 1073 C SER A 71 -7.142 -3.353 10.161 1.00 2.46 C ATOM 1074 O SER A 71 -7.187 -2.299 10.793 1.00 2.76 O ATOM 1075 CB SER A 71 -9.162 -3.581 8.704 1.00 2.85 C ATOM 1076 OG SER A 71 -9.666 -3.587 7.380 1.00 3.22 O ATOM 0 H SER A 71 -7.649 -5.281 7.728 1.00 1.83 H new ATOM 0 HA SER A 71 -7.376 -2.506 8.204 1.00 2.33 H new ATOM 0 HB2 SER A 71 -9.442 -4.507 9.206 1.00 2.85 H new ATOM 0 HB3 SER A 71 -9.617 -2.764 9.265 1.00 2.85 H new ATOM 0 HG SER A 71 -9.780 -4.512 7.078 1.00 3.22 H new ATOM 1082 N ALA A 72 -6.673 -4.484 10.672 1.00 2.81 N ATOM 1083 CA ALA A 72 -6.114 -4.560 12.009 1.00 3.22 C ATOM 1084 C ALA A 72 -5.086 -5.678 12.072 1.00 3.71 C ATOM 1085 O ALA A 72 -3.878 -5.387 11.969 1.00 4.30 O ATOM 1086 CB ALA A 72 -7.212 -4.783 13.038 1.00 3.33 C ATOM 1087 OXT ALA A 72 -5.496 -6.851 12.189 1.00 3.97 O ATOM 0 H ALA A 72 -6.671 -5.372 10.169 1.00 2.81 H new ATOM 0 HA ALA A 72 -5.623 -3.615 12.241 1.00 3.22 H new ATOM 0 HB1 ALA A 72 -6.772 -4.837 14.034 1.00 3.33 H new ATOM 0 HB2 ALA A 72 -7.921 -3.956 12.999 1.00 3.33 H new ATOM 0 HB3 ALA A 72 -7.731 -5.716 12.820 1.00 3.33 H new TER 1093 ALA A 72 ATOM 1094 N SER B -1 -12.487 -12.778 3.738 1.00 7.30 N ATOM 1095 CA SER B -1 -11.484 -13.564 2.987 1.00 6.74 C ATOM 1096 C SER B -1 -11.588 -13.296 1.486 1.00 5.69 C ATOM 1097 O SER B -1 -10.606 -12.909 0.851 1.00 5.59 O ATOM 1098 CB SER B -1 -11.670 -15.055 3.271 1.00 7.18 C ATOM 1099 OG SER B -1 -11.595 -15.327 4.663 1.00 7.31 O ATOM 0 H1 SER B -1 -12.476 -13.065 4.738 1.00 7.30 H new ATOM 0 H2 SER B -1 -12.260 -11.766 3.666 1.00 7.30 H new ATOM 0 H3 SER B -1 -13.432 -12.950 3.339 1.00 7.30 H new ATOM 0 HA SER B -1 -10.492 -13.257 3.317 1.00 6.74 H new ATOM 0 HB2 SER B -1 -12.635 -15.384 2.885 1.00 7.18 H new ATOM 0 HB3 SER B -1 -10.905 -15.626 2.745 1.00 7.18 H new ATOM 0 HG SER B -1 -11.719 -16.287 4.816 1.00 7.31 H new ATOM 1107 N VAL B 0 -12.776 -13.496 0.921 1.00 5.19 N ATOM 1108 CA VAL B 0 -12.991 -13.273 -0.507 1.00 4.36 C ATOM 1109 C VAL B 0 -13.002 -11.781 -0.822 1.00 4.16 C ATOM 1110 O VAL B 0 -13.074 -10.957 0.094 1.00 4.71 O ATOM 1111 CB VAL B 0 -14.320 -13.894 -0.992 1.00 4.26 C ATOM 1112 CG1 VAL B 0 -14.380 -15.373 -0.648 1.00 4.90 C ATOM 1113 CG2 VAL B 0 -15.513 -13.151 -0.407 1.00 4.28 C ATOM 0 H VAL B 0 -13.603 -13.811 1.428 1.00 5.19 H new ATOM 0 HA VAL B 0 -12.167 -13.758 -1.030 1.00 4.36 H new ATOM 0 HB VAL B 0 -14.363 -13.796 -2.077 1.00 4.26 H new ATOM 0 HG11 VAL B 0 -15.324 -15.790 -0.999 1.00 4.90 H new ATOM 0 HG12 VAL B 0 -13.552 -15.893 -1.131 1.00 4.90 H new ATOM 0 HG13 VAL B 0 -14.307 -15.499 0.432 1.00 4.90 H new ATOM 0 HG21 VAL B 0 -16.436 -13.607 -0.764 1.00 4.28 H new ATOM 0 HG22 VAL B 0 -15.478 -13.206 0.681 1.00 4.28 H new ATOM 0 HG23 VAL B 0 -15.480 -12.107 -0.719 1.00 4.28 H new ATOM 1123 N ASP B 1 -12.882 -11.446 -2.112 1.00 3.72 N ATOM 1124 CA ASP B 1 -12.982 -10.061 -2.605 1.00 3.86 C ATOM 1125 C ASP B 1 -11.668 -9.321 -2.378 1.00 3.15 C ATOM 1126 O ASP B 1 -11.344 -8.363 -3.079 1.00 3.56 O ATOM 1127 CB ASP B 1 -14.152 -9.315 -1.946 1.00 4.54 C ATOM 1128 CG ASP B 1 -14.762 -8.258 -2.844 1.00 5.24 C ATOM 1129 OD1 ASP B 1 -15.599 -8.623 -3.695 1.00 5.72 O ATOM 1130 OD2 ASP B 1 -14.438 -7.065 -2.689 1.00 5.63 O ATOM 0 H ASP B 1 -12.712 -12.129 -2.850 1.00 3.72 H new ATOM 0 HA ASP B 1 -13.179 -10.097 -3.676 1.00 3.86 H new ATOM 0 HB2 ASP B 1 -14.922 -10.034 -1.666 1.00 4.54 H new ATOM 0 HB3 ASP B 1 -13.804 -8.845 -1.026 1.00 4.54 H new ATOM 1135 N SER B 2 -10.927 -9.800 -1.388 1.00 2.41 N ATOM 1136 CA SER B 2 -9.613 -9.272 -1.027 1.00 2.10 C ATOM 1137 C SER B 2 -8.654 -9.217 -2.224 1.00 1.76 C ATOM 1138 O SER B 2 -7.711 -8.422 -2.229 1.00 2.41 O ATOM 1139 CB SER B 2 -9.008 -10.133 0.087 1.00 2.20 C ATOM 1140 OG SER B 2 -7.866 -9.523 0.662 1.00 2.88 O ATOM 0 H SER B 2 -11.225 -10.580 -0.802 1.00 2.41 H new ATOM 0 HA SER B 2 -9.752 -8.248 -0.681 1.00 2.10 H new ATOM 0 HB2 SER B 2 -9.756 -10.305 0.861 1.00 2.20 H new ATOM 0 HB3 SER B 2 -8.735 -11.109 -0.315 1.00 2.20 H new ATOM 0 HG SER B 2 -8.148 -8.880 1.346 1.00 2.88 H new ATOM 1146 N ALA B 3 -8.889 -10.084 -3.213 1.00 1.43 N ATOM 1147 CA ALA B 3 -8.109 -10.110 -4.451 1.00 1.25 C ATOM 1148 C ALA B 3 -6.720 -10.702 -4.203 1.00 1.01 C ATOM 1149 O ALA B 3 -6.508 -11.398 -3.208 1.00 1.06 O ATOM 1150 CB ALA B 3 -8.033 -8.720 -5.082 1.00 1.46 C ATOM 0 H ALA B 3 -9.626 -10.788 -3.177 1.00 1.43 H new ATOM 0 HA ALA B 3 -8.618 -10.758 -5.165 1.00 1.25 H new ATOM 0 HB1 ALA B 3 -7.448 -8.769 -6.000 1.00 1.46 H new ATOM 0 HB2 ALA B 3 -9.039 -8.369 -5.311 1.00 1.46 H new ATOM 0 HB3 ALA B 3 -7.558 -8.030 -4.385 1.00 1.46 H new ATOM 1156 N SER B 4 -5.786 -10.459 -5.108 1.00 0.84 N ATOM 1157 CA SER B 4 -4.446 -11.002 -4.978 1.00 0.66 C ATOM 1158 C SER B 4 -3.497 -9.942 -4.427 1.00 0.48 C ATOM 1159 O SER B 4 -3.706 -8.745 -4.623 1.00 0.49 O ATOM 1160 CB SER B 4 -3.955 -11.484 -6.341 1.00 0.79 C ATOM 1161 OG SER B 4 -4.975 -12.198 -7.019 1.00 1.49 O ATOM 0 H SER B 4 -5.932 -9.889 -5.941 1.00 0.84 H new ATOM 0 HA SER B 4 -4.469 -11.843 -4.285 1.00 0.66 H new ATOM 0 HB2 SER B 4 -3.641 -10.631 -6.942 1.00 0.79 H new ATOM 0 HB3 SER B 4 -3.081 -12.123 -6.213 1.00 0.79 H new ATOM 0 HG SER B 4 -5.593 -11.565 -7.440 1.00 1.49 H new ATOM 1167 N LYS B 5 -2.453 -10.393 -3.739 1.00 0.41 N ATOM 1168 CA LYS B 5 -1.453 -9.492 -3.168 1.00 0.36 C ATOM 1169 C LYS B 5 -0.723 -8.709 -4.258 1.00 0.27 C ATOM 1170 O LYS B 5 -0.222 -7.614 -4.013 1.00 0.25 O ATOM 1171 CB LYS B 5 -0.459 -10.275 -2.299 1.00 0.42 C ATOM 1172 CG LYS B 5 0.072 -11.533 -2.964 1.00 0.41 C ATOM 1173 CD LYS B 5 0.972 -12.332 -2.037 1.00 0.54 C ATOM 1174 CE LYS B 5 1.150 -13.754 -2.543 1.00 0.73 C ATOM 1175 NZ LYS B 5 -0.107 -14.542 -2.421 1.00 1.14 N ATOM 0 H LYS B 5 -2.275 -11.382 -3.562 1.00 0.41 H new ATOM 0 HA LYS B 5 -1.972 -8.771 -2.536 1.00 0.36 H new ATOM 0 HB2 LYS B 5 0.380 -9.626 -2.047 1.00 0.42 H new ATOM 0 HB3 LYS B 5 -0.945 -10.547 -1.362 1.00 0.42 H new ATOM 0 HG2 LYS B 5 -0.764 -12.155 -3.282 1.00 0.41 H new ATOM 0 HG3 LYS B 5 0.627 -11.261 -3.862 1.00 0.41 H new ATOM 0 HD2 LYS B 5 1.944 -11.845 -1.960 1.00 0.54 H new ATOM 0 HD3 LYS B 5 0.544 -12.350 -1.035 1.00 0.54 H new ATOM 0 HE2 LYS B 5 1.466 -13.732 -3.586 1.00 0.73 H new ATOM 0 HE3 LYS B 5 1.943 -14.245 -1.979 1.00 0.73 H new ATOM 0 HZ1 LYS B 5 0.122 -15.556 -2.377 1.00 1.14 H new ATOM 0 HZ2 LYS B 5 -0.609 -14.262 -1.554 1.00 1.14 H new ATOM 0 HZ3 LYS B 5 -0.713 -14.359 -3.246 1.00 1.14 H new ATOM 1189 N GLU B 6 -0.668 -9.280 -5.459 1.00 0.29 N ATOM 1190 CA GLU B 6 -0.138 -8.578 -6.624 1.00 0.36 C ATOM 1191 C GLU B 6 -0.976 -7.335 -6.909 1.00 0.38 C ATOM 1192 O GLU B 6 -0.450 -6.236 -7.090 1.00 0.40 O ATOM 1193 CB GLU B 6 -0.153 -9.502 -7.844 1.00 0.49 C ATOM 1194 CG GLU B 6 0.267 -8.824 -9.139 1.00 0.99 C ATOM 1195 CD GLU B 6 0.086 -9.717 -10.347 1.00 1.46 C ATOM 1196 OE1 GLU B 6 1.021 -10.477 -10.675 1.00 2.11 O ATOM 1197 OE2 GLU B 6 -0.992 -9.668 -10.981 1.00 2.00 O ATOM 0 H GLU B 6 -0.985 -10.230 -5.651 1.00 0.29 H new ATOM 0 HA GLU B 6 0.889 -8.277 -6.417 1.00 0.36 H new ATOM 0 HB2 GLU B 6 0.511 -10.346 -7.656 1.00 0.49 H new ATOM 0 HB3 GLU B 6 -1.157 -9.908 -7.967 1.00 0.49 H new ATOM 0 HG2 GLU B 6 -0.316 -7.913 -9.274 1.00 0.99 H new ATOM 0 HG3 GLU B 6 1.313 -8.525 -9.066 1.00 0.99 H new ATOM 1204 N GLU B 7 -2.288 -7.530 -6.932 1.00 0.41 N ATOM 1205 CA GLU B 7 -3.232 -6.453 -7.186 1.00 0.48 C ATOM 1206 C GLU B 7 -3.131 -5.385 -6.105 1.00 0.40 C ATOM 1207 O GLU B 7 -3.185 -4.188 -6.391 1.00 0.39 O ATOM 1208 CB GLU B 7 -4.652 -7.012 -7.251 1.00 0.61 C ATOM 1209 CG GLU B 7 -4.838 -8.051 -8.345 1.00 0.74 C ATOM 1210 CD GLU B 7 -6.184 -8.735 -8.276 1.00 0.95 C ATOM 1211 OE1 GLU B 7 -7.190 -8.117 -8.660 1.00 1.25 O ATOM 1212 OE2 GLU B 7 -6.237 -9.904 -7.837 1.00 1.68 O ATOM 0 H GLU B 7 -2.726 -8.438 -6.775 1.00 0.41 H new ATOM 0 HA GLU B 7 -2.988 -5.992 -8.143 1.00 0.48 H new ATOM 0 HB2 GLU B 7 -4.904 -7.458 -6.289 1.00 0.61 H new ATOM 0 HB3 GLU B 7 -5.351 -6.192 -7.415 1.00 0.61 H new ATOM 0 HG2 GLU B 7 -4.728 -7.572 -9.318 1.00 0.74 H new ATOM 0 HG3 GLU B 7 -4.050 -8.800 -8.267 1.00 0.74 H new ATOM 1219 N ILE B 8 -2.968 -5.830 -4.866 1.00 0.37 N ATOM 1220 CA ILE B 8 -2.810 -4.918 -3.743 1.00 0.35 C ATOM 1221 C ILE B 8 -1.537 -4.096 -3.906 1.00 0.27 C ATOM 1222 O ILE B 8 -1.563 -2.873 -3.797 1.00 0.24 O ATOM 1223 CB ILE B 8 -2.747 -5.666 -2.395 1.00 0.39 C ATOM 1224 CG1 ILE B 8 -3.911 -6.653 -2.261 1.00 0.54 C ATOM 1225 CG2 ILE B 8 -2.760 -4.673 -1.240 1.00 0.42 C ATOM 1226 CD1 ILE B 8 -5.275 -6.003 -2.289 1.00 0.96 C ATOM 0 H ILE B 8 -2.942 -6.818 -4.614 1.00 0.37 H new ATOM 0 HA ILE B 8 -3.684 -4.267 -3.737 1.00 0.35 H new ATOM 0 HB ILE B 8 -1.816 -6.232 -2.363 1.00 0.39 H new ATOM 0 HG12 ILE B 8 -3.851 -7.382 -3.069 1.00 0.54 H new ATOM 0 HG13 ILE B 8 -3.801 -7.203 -1.327 1.00 0.54 H new ATOM 0 HG21 ILE B 8 -2.715 -5.214 -0.295 1.00 0.42 H new ATOM 0 HG22 ILE B 8 -1.898 -4.010 -1.320 1.00 0.42 H new ATOM 0 HG23 ILE B 8 -3.676 -4.083 -1.277 1.00 0.42 H new ATOM 0 HD11 ILE B 8 -6.045 -6.768 -2.189 1.00 0.96 H new ATOM 0 HD12 ILE B 8 -5.358 -5.295 -1.464 1.00 0.96 H new ATOM 0 HD13 ILE B 8 -5.408 -5.476 -3.234 1.00 0.96 H new ATOM 1238 N ALA B 9 -0.430 -4.784 -4.176 1.00 0.24 N ATOM 1239 CA ALA B 9 0.863 -4.134 -4.365 1.00 0.20 C ATOM 1240 C ALA B 9 0.800 -3.071 -5.455 1.00 0.19 C ATOM 1241 O ALA B 9 1.380 -1.993 -5.316 1.00 0.16 O ATOM 1242 CB ALA B 9 1.923 -5.170 -4.700 1.00 0.21 C ATOM 0 H ALA B 9 -0.404 -5.799 -4.269 1.00 0.24 H new ATOM 0 HA ALA B 9 1.129 -3.637 -3.432 1.00 0.20 H new ATOM 0 HB1 ALA B 9 2.884 -4.675 -4.839 1.00 0.21 H new ATOM 0 HB2 ALA B 9 2.000 -5.889 -3.884 1.00 0.21 H new ATOM 0 HB3 ALA B 9 1.646 -5.690 -5.617 1.00 0.21 H new ATOM 1248 N ALA B 10 0.091 -3.381 -6.536 1.00 0.23 N ATOM 1249 CA ALA B 10 -0.094 -2.436 -7.628 1.00 0.25 C ATOM 1250 C ALA B 10 -0.795 -1.177 -7.132 1.00 0.23 C ATOM 1251 O ALA B 10 -0.347 -0.058 -7.381 1.00 0.22 O ATOM 1252 CB ALA B 10 -0.889 -3.080 -8.752 1.00 0.33 C ATOM 0 H ALA B 10 -0.365 -4.282 -6.678 1.00 0.23 H new ATOM 0 HA ALA B 10 0.886 -2.154 -8.013 1.00 0.25 H new ATOM 0 HB1 ALA B 10 -1.020 -2.363 -9.562 1.00 0.33 H new ATOM 0 HB2 ALA B 10 -0.352 -3.953 -9.124 1.00 0.33 H new ATOM 0 HB3 ALA B 10 -1.866 -3.387 -8.377 1.00 0.33 H new ATOM 1258 N LEU B 11 -1.887 -1.378 -6.410 1.00 0.27 N ATOM 1259 CA LEU B 11 -2.650 -0.281 -5.831 1.00 0.29 C ATOM 1260 C LEU B 11 -1.748 0.538 -4.901 1.00 0.26 C ATOM 1261 O LEU B 11 -1.761 1.773 -4.915 1.00 0.29 O ATOM 1262 CB LEU B 11 -3.858 -0.872 -5.074 1.00 0.38 C ATOM 1263 CG LEU B 11 -4.945 0.104 -4.596 1.00 0.75 C ATOM 1264 CD1 LEU B 11 -4.524 0.822 -3.322 1.00 1.56 C ATOM 1265 CD2 LEU B 11 -5.292 1.103 -5.690 1.00 0.63 C ATOM 0 H LEU B 11 -2.269 -2.302 -6.209 1.00 0.27 H new ATOM 0 HA LEU B 11 -3.017 0.388 -6.609 1.00 0.29 H new ATOM 0 HB2 LEU B 11 -4.331 -1.611 -5.721 1.00 0.38 H new ATOM 0 HB3 LEU B 11 -3.480 -1.407 -4.203 1.00 0.38 H new ATOM 0 HG LEU B 11 -5.838 -0.479 -4.368 1.00 0.75 H new ATOM 0 HD11 LEU B 11 -5.315 1.505 -3.011 1.00 1.56 H new ATOM 0 HD12 LEU B 11 -4.345 0.090 -2.534 1.00 1.56 H new ATOM 0 HD13 LEU B 11 -3.610 1.386 -3.507 1.00 1.56 H new ATOM 0 HD21 LEU B 11 -6.063 1.784 -5.330 1.00 0.63 H new ATOM 0 HD22 LEU B 11 -4.402 1.672 -5.959 1.00 0.63 H new ATOM 0 HD23 LEU B 11 -5.660 0.570 -6.567 1.00 0.63 H new ATOM 1277 N ILE B 12 -0.947 -0.177 -4.127 1.00 0.21 N ATOM 1278 CA ILE B 12 -0.043 0.421 -3.156 1.00 0.20 C ATOM 1279 C ILE B 12 1.005 1.319 -3.816 1.00 0.18 C ATOM 1280 O ILE B 12 1.121 2.499 -3.471 1.00 0.20 O ATOM 1281 CB ILE B 12 0.646 -0.683 -2.327 1.00 0.18 C ATOM 1282 CG1 ILE B 12 -0.376 -1.335 -1.389 1.00 0.22 C ATOM 1283 CG2 ILE B 12 1.827 -0.125 -1.547 1.00 0.20 C ATOM 1284 CD1 ILE B 12 0.157 -2.530 -0.628 1.00 0.24 C ATOM 0 H ILE B 12 -0.905 -1.196 -4.155 1.00 0.21 H new ATOM 0 HA ILE B 12 -0.641 1.053 -2.499 1.00 0.20 H new ATOM 0 HB ILE B 12 1.035 -1.442 -3.006 1.00 0.18 H new ATOM 0 HG12 ILE B 12 -0.725 -0.589 -0.675 1.00 0.22 H new ATOM 0 HG13 ILE B 12 -1.242 -1.647 -1.973 1.00 0.22 H new ATOM 0 HG21 ILE B 12 2.294 -0.925 -0.972 1.00 0.20 H new ATOM 0 HG22 ILE B 12 2.555 0.296 -2.241 1.00 0.20 H new ATOM 0 HG23 ILE B 12 1.480 0.654 -0.869 1.00 0.20 H new ATOM 0 HD11 ILE B 12 -0.628 -2.933 0.013 1.00 0.24 H new ATOM 0 HD12 ILE B 12 0.479 -3.296 -1.333 1.00 0.24 H new ATOM 0 HD13 ILE B 12 1.004 -2.223 -0.015 1.00 0.24 H new ATOM 1296 N VAL B 13 1.761 0.776 -4.767 1.00 0.16 N ATOM 1297 CA VAL B 13 2.830 1.544 -5.398 1.00 0.16 C ATOM 1298 C VAL B 13 2.266 2.713 -6.200 1.00 0.16 C ATOM 1299 O VAL B 13 2.859 3.791 -6.238 1.00 0.18 O ATOM 1300 CB VAL B 13 3.745 0.675 -6.294 1.00 0.15 C ATOM 1301 CG1 VAL B 13 4.439 -0.396 -5.467 1.00 0.16 C ATOM 1302 CG2 VAL B 13 2.974 0.044 -7.441 1.00 0.14 C ATOM 0 H VAL B 13 1.656 -0.178 -5.113 1.00 0.16 H new ATOM 0 HA VAL B 13 3.446 1.932 -4.587 1.00 0.16 H new ATOM 0 HB VAL B 13 4.500 1.331 -6.726 1.00 0.15 H new ATOM 0 HG11 VAL B 13 5.078 -0.998 -6.113 1.00 0.16 H new ATOM 0 HG12 VAL B 13 5.046 0.077 -4.695 1.00 0.16 H new ATOM 0 HG13 VAL B 13 3.691 -1.036 -4.999 1.00 0.16 H new ATOM 0 HG21 VAL B 13 3.651 -0.558 -8.047 1.00 0.14 H new ATOM 0 HG22 VAL B 13 2.183 -0.591 -7.042 1.00 0.14 H new ATOM 0 HG23 VAL B 13 2.534 0.827 -8.058 1.00 0.14 H new ATOM 1312 N ASN B 14 1.108 2.503 -6.819 1.00 0.18 N ATOM 1313 CA ASN B 14 0.447 3.559 -7.577 1.00 0.21 C ATOM 1314 C ASN B 14 0.099 4.733 -6.664 1.00 0.19 C ATOM 1315 O ASN B 14 0.103 5.889 -7.090 1.00 0.20 O ATOM 1316 CB ASN B 14 -0.818 3.029 -8.258 1.00 0.30 C ATOM 1317 CG ASN B 14 -1.308 3.952 -9.359 1.00 0.42 C ATOM 1318 OD1 ASN B 14 -0.519 4.650 -9.994 1.00 0.45 O ATOM 1319 ND2 ASN B 14 -2.609 3.956 -9.603 1.00 0.57 N ATOM 0 H ASN B 14 0.609 1.613 -6.810 1.00 0.18 H new ATOM 0 HA ASN B 14 1.135 3.905 -8.348 1.00 0.21 H new ATOM 0 HB2 ASN B 14 -0.617 2.043 -8.676 1.00 0.30 H new ATOM 0 HB3 ASN B 14 -1.604 2.905 -7.513 1.00 0.30 H new ATOM 0 HD21 ASN B 14 -2.988 4.552 -10.339 1.00 0.57 H new ATOM 0 HD22 ASN B 14 -3.232 3.363 -9.055 1.00 0.57 H new ATOM 1326 N TYR B 15 -0.188 4.433 -5.399 1.00 0.22 N ATOM 1327 CA TYR B 15 -0.489 5.476 -4.428 1.00 0.24 C ATOM 1328 C TYR B 15 0.751 6.309 -4.129 1.00 0.21 C ATOM 1329 O TYR B 15 0.697 7.538 -4.142 1.00 0.23 O ATOM 1330 CB TYR B 15 -1.046 4.900 -3.124 1.00 0.29 C ATOM 1331 CG TYR B 15 -1.505 5.978 -2.163 1.00 0.38 C ATOM 1332 CD1 TYR B 15 -2.693 6.664 -2.382 1.00 1.30 C ATOM 1333 CD2 TYR B 15 -0.740 6.327 -1.056 1.00 1.19 C ATOM 1334 CE1 TYR B 15 -3.110 7.664 -1.525 1.00 1.39 C ATOM 1335 CE2 TYR B 15 -1.150 7.330 -0.196 1.00 1.21 C ATOM 1336 CZ TYR B 15 -2.335 7.994 -0.436 1.00 0.64 C ATOM 1337 OH TYR B 15 -2.741 8.999 0.413 1.00 0.79 O ATOM 0 H TYR B 15 -0.218 3.484 -5.027 1.00 0.22 H new ATOM 0 HA TYR B 15 -1.254 6.112 -4.873 1.00 0.24 H new ATOM 0 HB2 TYR B 15 -1.883 4.239 -3.351 1.00 0.29 H new ATOM 0 HB3 TYR B 15 -0.280 4.291 -2.643 1.00 0.29 H new ATOM 0 HD1 TYR B 15 -3.301 6.411 -3.238 1.00 1.30 H new ATOM 0 HD2 TYR B 15 0.187 5.808 -0.865 1.00 1.19 H new ATOM 0 HE1 TYR B 15 -4.039 8.184 -1.708 1.00 1.39 H new ATOM 0 HE2 TYR B 15 -0.545 7.592 0.659 1.00 1.21 H new ATOM 0 HH TYR B 15 -3.685 9.205 0.248 1.00 0.79 H new ATOM 1347 N PHE B 16 1.872 5.645 -3.870 1.00 0.20 N ATOM 1348 CA PHE B 16 3.109 6.356 -3.566 1.00 0.20 C ATOM 1349 C PHE B 16 3.591 7.143 -4.775 1.00 0.19 C ATOM 1350 O PHE B 16 4.138 8.236 -4.630 1.00 0.20 O ATOM 1351 CB PHE B 16 4.202 5.402 -3.082 1.00 0.20 C ATOM 1352 CG PHE B 16 3.893 4.736 -1.768 1.00 0.20 C ATOM 1353 CD1 PHE B 16 3.452 5.478 -0.680 1.00 0.91 C ATOM 1354 CD2 PHE B 16 4.048 3.366 -1.617 1.00 1.04 C ATOM 1355 CE1 PHE B 16 3.170 4.867 0.525 1.00 0.91 C ATOM 1356 CE2 PHE B 16 3.768 2.753 -0.414 1.00 1.04 C ATOM 1357 CZ PHE B 16 3.329 3.504 0.658 1.00 0.22 C ATOM 0 H PHE B 16 1.951 4.628 -3.864 1.00 0.20 H new ATOM 0 HA PHE B 16 2.893 7.055 -2.758 1.00 0.20 H new ATOM 0 HB2 PHE B 16 4.361 4.634 -3.839 1.00 0.20 H new ATOM 0 HB3 PHE B 16 5.137 5.955 -2.987 1.00 0.20 H new ATOM 0 HD1 PHE B 16 3.328 6.546 -0.778 1.00 0.91 H new ATOM 0 HD2 PHE B 16 4.392 2.773 -2.451 1.00 1.04 H new ATOM 0 HE1 PHE B 16 2.825 5.456 1.362 1.00 0.91 H new ATOM 0 HE2 PHE B 16 3.892 1.685 -0.310 1.00 1.04 H new ATOM 0 HZ PHE B 16 3.110 3.024 1.600 1.00 0.22 H new ATOM 1367 N SER B 17 3.368 6.594 -5.967 1.00 0.19 N ATOM 1368 CA SER B 17 3.688 7.301 -7.199 1.00 0.20 C ATOM 1369 C SER B 17 2.881 8.594 -7.283 1.00 0.20 C ATOM 1370 O SER B 17 3.360 9.611 -7.781 1.00 0.24 O ATOM 1371 CB SER B 17 3.397 6.418 -8.416 1.00 0.21 C ATOM 1372 OG SER B 17 4.159 5.221 -8.381 1.00 0.90 O ATOM 0 H SER B 17 2.969 5.665 -6.103 1.00 0.19 H new ATOM 0 HA SER B 17 4.750 7.544 -7.195 1.00 0.20 H new ATOM 0 HB2 SER B 17 2.335 6.174 -8.445 1.00 0.21 H new ATOM 0 HB3 SER B 17 3.623 6.968 -9.329 1.00 0.21 H new ATOM 0 HG SER B 17 4.620 5.152 -7.519 1.00 0.90 H new ATOM 1378 N SER B 18 1.661 8.549 -6.763 1.00 0.24 N ATOM 1379 CA SER B 18 0.787 9.709 -6.748 1.00 0.25 C ATOM 1380 C SER B 18 1.272 10.727 -5.716 1.00 0.25 C ATOM 1381 O SER B 18 1.359 11.921 -6.002 1.00 0.29 O ATOM 1382 CB SER B 18 -0.649 9.270 -6.440 1.00 0.26 C ATOM 1383 OG SER B 18 -1.560 10.345 -6.562 1.00 0.84 O ATOM 0 H SER B 18 1.254 7.713 -6.343 1.00 0.24 H new ATOM 0 HA SER B 18 0.807 10.184 -7.729 1.00 0.25 H new ATOM 0 HB2 SER B 18 -0.938 8.468 -7.119 1.00 0.26 H new ATOM 0 HB3 SER B 18 -0.697 8.864 -5.429 1.00 0.26 H new ATOM 0 HG SER B 18 -2.466 10.030 -6.360 1.00 0.84 H new ATOM 1389 N ILE B 19 1.613 10.242 -4.522 1.00 0.23 N ATOM 1390 CA ILE B 19 2.070 11.109 -3.436 1.00 0.24 C ATOM 1391 C ILE B 19 3.322 11.884 -3.833 1.00 0.25 C ATOM 1392 O ILE B 19 3.418 13.089 -3.590 1.00 0.28 O ATOM 1393 CB ILE B 19 2.355 10.301 -2.145 1.00 0.24 C ATOM 1394 CG1 ILE B 19 1.074 9.626 -1.649 1.00 0.25 C ATOM 1395 CG2 ILE B 19 2.939 11.197 -1.055 1.00 0.27 C ATOM 1396 CD1 ILE B 19 -0.055 10.596 -1.358 1.00 0.27 C ATOM 0 H ILE B 19 1.581 9.251 -4.282 1.00 0.23 H new ATOM 0 HA ILE B 19 1.263 11.815 -3.239 1.00 0.24 H new ATOM 0 HB ILE B 19 3.091 9.532 -2.381 1.00 0.24 H new ATOM 0 HG12 ILE B 19 0.740 8.908 -2.397 1.00 0.25 H new ATOM 0 HG13 ILE B 19 1.299 9.062 -0.744 1.00 0.25 H new ATOM 0 HG21 ILE B 19 3.129 10.604 -0.160 1.00 0.27 H new ATOM 0 HG22 ILE B 19 3.873 11.635 -1.406 1.00 0.27 H new ATOM 0 HG23 ILE B 19 2.232 11.992 -0.820 1.00 0.27 H new ATOM 0 HD11 ILE B 19 -0.929 10.044 -1.011 1.00 0.27 H new ATOM 0 HD12 ILE B 19 0.259 11.299 -0.587 1.00 0.27 H new ATOM 0 HD13 ILE B 19 -0.308 11.143 -2.266 1.00 0.27 H new ATOM 1408 N VAL B 20 4.276 11.199 -4.451 1.00 0.25 N ATOM 1409 CA VAL B 20 5.511 11.842 -4.868 1.00 0.28 C ATOM 1410 C VAL B 20 5.274 12.740 -6.083 1.00 0.33 C ATOM 1411 O VAL B 20 5.912 13.780 -6.223 1.00 0.34 O ATOM 1412 CB VAL B 20 6.630 10.817 -5.167 1.00 0.28 C ATOM 1413 CG1 VAL B 20 6.946 9.997 -3.925 1.00 0.26 C ATOM 1414 CG2 VAL B 20 6.253 9.904 -6.324 1.00 0.30 C ATOM 0 H VAL B 20 4.217 10.205 -4.672 1.00 0.25 H new ATOM 0 HA VAL B 20 5.846 12.458 -4.034 1.00 0.28 H new ATOM 0 HB VAL B 20 7.521 11.373 -5.458 1.00 0.28 H new ATOM 0 HG11 VAL B 20 7.735 9.281 -4.153 1.00 0.26 H new ATOM 0 HG12 VAL B 20 7.277 10.660 -3.126 1.00 0.26 H new ATOM 0 HG13 VAL B 20 6.052 9.462 -3.605 1.00 0.26 H new ATOM 0 HG21 VAL B 20 7.061 9.196 -6.507 1.00 0.30 H new ATOM 0 HG22 VAL B 20 5.343 9.359 -6.075 1.00 0.30 H new ATOM 0 HG23 VAL B 20 6.084 10.502 -7.219 1.00 0.30 H new ATOM 1424 N GLU B 21 4.350 12.340 -6.954 1.00 0.39 N ATOM 1425 CA GLU B 21 3.972 13.164 -8.099 1.00 0.49 C ATOM 1426 C GLU B 21 3.368 14.484 -7.631 1.00 0.49 C ATOM 1427 O GLU B 21 3.762 15.554 -8.090 1.00 0.53 O ATOM 1428 CB GLU B 21 2.971 12.432 -8.993 1.00 0.60 C ATOM 1429 CG GLU B 21 2.572 13.225 -10.227 1.00 1.24 C ATOM 1430 CD GLU B 21 1.479 12.554 -11.025 1.00 1.84 C ATOM 1431 OE1 GLU B 21 1.798 11.729 -11.906 1.00 2.49 O ATOM 1432 OE2 GLU B 21 0.293 12.851 -10.775 1.00 2.40 O ATOM 0 H GLU B 21 3.851 11.453 -6.889 1.00 0.39 H new ATOM 0 HA GLU B 21 4.875 13.366 -8.676 1.00 0.49 H new ATOM 0 HB2 GLU B 21 3.402 11.481 -9.305 1.00 0.60 H new ATOM 0 HB3 GLU B 21 2.077 12.202 -8.413 1.00 0.60 H new ATOM 0 HG2 GLU B 21 2.237 14.217 -9.923 1.00 1.24 H new ATOM 0 HG3 GLU B 21 3.447 13.364 -10.862 1.00 1.24 H new ATOM 1439 N LYS B 22 2.423 14.398 -6.701 1.00 0.47 N ATOM 1440 CA LYS B 22 1.765 15.585 -6.166 1.00 0.50 C ATOM 1441 C LYS B 22 2.677 16.312 -5.186 1.00 0.43 C ATOM 1442 O LYS B 22 2.354 17.396 -4.701 1.00 0.44 O ATOM 1443 CB LYS B 22 0.459 15.209 -5.464 1.00 0.58 C ATOM 1444 CG LYS B 22 -0.514 14.442 -6.344 1.00 0.68 C ATOM 1445 CD LYS B 22 -1.794 14.111 -5.596 1.00 0.81 C ATOM 1446 CE LYS B 22 -2.717 13.228 -6.421 1.00 0.72 C ATOM 1447 NZ LYS B 22 -3.040 13.829 -7.745 1.00 1.41 N ATOM 0 H LYS B 22 2.095 13.518 -6.302 1.00 0.47 H new ATOM 0 HA LYS B 22 1.542 16.247 -7.003 1.00 0.50 H new ATOM 0 HB2 LYS B 22 0.690 14.607 -4.585 1.00 0.58 H new ATOM 0 HB3 LYS B 22 -0.026 16.118 -5.109 1.00 0.58 H new ATOM 0 HG2 LYS B 22 -0.750 15.033 -7.229 1.00 0.68 H new ATOM 0 HG3 LYS B 22 -0.045 13.521 -6.691 1.00 0.68 H new ATOM 0 HD2 LYS B 22 -1.549 13.607 -4.661 1.00 0.81 H new ATOM 0 HD3 LYS B 22 -2.312 15.034 -5.335 1.00 0.81 H new ATOM 0 HE2 LYS B 22 -2.248 12.256 -6.571 1.00 0.72 H new ATOM 0 HE3 LYS B 22 -3.640 13.055 -5.868 1.00 0.72 H new ATOM 0 HZ1 LYS B 22 -3.774 13.261 -8.214 1.00 1.41 H new ATOM 0 HZ2 LYS B 22 -3.387 14.800 -7.610 1.00 1.41 H new ATOM 0 HZ3 LYS B 22 -2.185 13.846 -8.337 1.00 1.41 H new ATOM 1461 N LYS B 23 3.819 15.679 -4.907 1.00 0.37 N ATOM 1462 CA LYS B 23 4.829 16.208 -3.998 1.00 0.32 C ATOM 1463 C LYS B 23 4.232 16.547 -2.638 1.00 0.36 C ATOM 1464 O LYS B 23 4.555 17.575 -2.043 1.00 0.41 O ATOM 1465 CB LYS B 23 5.522 17.427 -4.612 1.00 0.36 C ATOM 1466 CG LYS B 23 6.294 17.097 -5.881 1.00 0.42 C ATOM 1467 CD LYS B 23 7.017 18.311 -6.433 1.00 0.57 C ATOM 1468 CE LYS B 23 7.791 17.969 -7.699 1.00 1.21 C ATOM 1469 NZ LYS B 23 8.841 16.944 -7.453 1.00 1.79 N ATOM 0 H LYS B 23 4.067 14.776 -5.312 1.00 0.37 H new ATOM 0 HA LYS B 23 5.577 15.431 -3.842 1.00 0.32 H new ATOM 0 HB2 LYS B 23 4.775 18.188 -4.836 1.00 0.36 H new ATOM 0 HB3 LYS B 23 6.205 17.857 -3.879 1.00 0.36 H new ATOM 0 HG2 LYS B 23 7.016 16.308 -5.672 1.00 0.42 H new ATOM 0 HG3 LYS B 23 5.607 16.710 -6.634 1.00 0.42 H new ATOM 0 HD2 LYS B 23 6.296 19.099 -6.648 1.00 0.57 H new ATOM 0 HD3 LYS B 23 7.702 18.702 -5.680 1.00 0.57 H new ATOM 0 HE2 LYS B 23 7.100 17.604 -8.459 1.00 1.21 H new ATOM 0 HE3 LYS B 23 8.253 18.873 -8.096 1.00 1.21 H new ATOM 0 HZ1 LYS B 23 9.492 16.912 -8.264 1.00 1.79 H new ATOM 0 HZ2 LYS B 23 9.371 17.190 -6.593 1.00 1.79 H new ATOM 0 HZ3 LYS B 23 8.395 16.013 -7.330 1.00 1.79 H new ATOM 1483 N GLU B 24 3.371 15.663 -2.147 1.00 0.38 N ATOM 1484 CA GLU B 24 2.732 15.848 -0.849 1.00 0.46 C ATOM 1485 C GLU B 24 3.672 15.475 0.288 1.00 0.40 C ATOM 1486 O GLU B 24 3.345 15.653 1.460 1.00 0.44 O ATOM 1487 CB GLU B 24 1.463 15.005 -0.736 1.00 0.57 C ATOM 1488 CG GLU B 24 0.265 15.565 -1.472 1.00 0.85 C ATOM 1489 CD GLU B 24 -1.004 14.818 -1.122 1.00 1.09 C ATOM 1490 OE1 GLU B 24 -1.233 14.557 0.083 1.00 1.84 O ATOM 1491 OE2 GLU B 24 -1.783 14.499 -2.038 1.00 1.66 O ATOM 0 H GLU B 24 3.098 14.807 -2.631 1.00 0.38 H new ATOM 0 HA GLU B 24 2.475 16.904 -0.770 1.00 0.46 H new ATOM 0 HB2 GLU B 24 1.672 14.005 -1.117 1.00 0.57 H new ATOM 0 HB3 GLU B 24 1.207 14.897 0.318 1.00 0.57 H new ATOM 0 HG2 GLU B 24 0.146 16.620 -1.225 1.00 0.85 H new ATOM 0 HG3 GLU B 24 0.438 15.506 -2.547 1.00 0.85 H new ATOM 1498 N ILE B 25 4.837 14.957 -0.056 1.00 0.36 N ATOM 1499 CA ILE B 25 5.781 14.507 0.946 1.00 0.33 C ATOM 1500 C ILE B 25 7.158 15.119 0.685 1.00 0.33 C ATOM 1501 O ILE B 25 7.521 15.388 -0.464 1.00 0.34 O ATOM 1502 CB ILE B 25 5.863 12.961 0.973 1.00 0.29 C ATOM 1503 CG1 ILE B 25 6.668 12.486 2.188 1.00 0.29 C ATOM 1504 CG2 ILE B 25 6.472 12.430 -0.318 1.00 0.26 C ATOM 1505 CD1 ILE B 25 6.642 10.986 2.391 1.00 0.28 C ATOM 0 H ILE B 25 5.150 14.838 -1.019 1.00 0.36 H new ATOM 0 HA ILE B 25 5.432 14.840 1.924 1.00 0.33 H new ATOM 0 HB ILE B 25 4.850 12.566 1.057 1.00 0.29 H new ATOM 0 HG12 ILE B 25 7.703 12.810 2.076 1.00 0.29 H new ATOM 0 HG13 ILE B 25 6.278 12.971 3.083 1.00 0.29 H new ATOM 0 HG21 ILE B 25 6.520 11.342 -0.277 1.00 0.26 H new ATOM 0 HG22 ILE B 25 5.855 12.734 -1.163 1.00 0.26 H new ATOM 0 HG23 ILE B 25 7.477 12.833 -0.439 1.00 0.26 H new ATOM 0 HD11 ILE B 25 7.234 10.727 3.269 1.00 0.28 H new ATOM 0 HD12 ILE B 25 5.613 10.656 2.536 1.00 0.28 H new ATOM 0 HD13 ILE B 25 7.060 10.493 1.514 1.00 0.28 H new ATOM 1517 N SER B 26 7.890 15.370 1.765 1.00 0.35 N ATOM 1518 CA SER B 26 9.217 15.967 1.696 1.00 0.38 C ATOM 1519 C SER B 26 10.171 15.128 0.850 1.00 0.34 C ATOM 1520 O SER B 26 9.962 13.922 0.702 1.00 0.31 O ATOM 1521 CB SER B 26 9.770 16.140 3.112 1.00 0.46 C ATOM 1522 OG SER B 26 9.590 14.955 3.871 1.00 1.47 O ATOM 0 H SER B 26 7.578 15.164 2.714 1.00 0.35 H new ATOM 0 HA SER B 26 9.130 16.941 1.214 1.00 0.38 H new ATOM 0 HB2 SER B 26 10.830 16.390 3.065 1.00 0.46 H new ATOM 0 HB3 SER B 26 9.268 16.973 3.604 1.00 0.46 H new ATOM 0 HG SER B 26 9.952 15.086 4.772 1.00 1.47 H new ATOM 1528 N GLU B 27 11.209 15.753 0.301 1.00 0.40 N ATOM 1529 CA GLU B 27 12.114 15.075 -0.628 1.00 0.45 C ATOM 1530 C GLU B 27 12.684 13.794 -0.022 1.00 0.40 C ATOM 1531 O GLU B 27 12.732 12.750 -0.681 1.00 0.44 O ATOM 1532 CB GLU B 27 13.255 16.003 -1.042 1.00 0.69 C ATOM 1533 CG GLU B 27 12.789 17.280 -1.721 1.00 0.75 C ATOM 1534 CD GLU B 27 13.937 18.092 -2.279 1.00 1.21 C ATOM 1535 OE1 GLU B 27 14.609 18.797 -1.500 1.00 1.87 O ATOM 1536 OE2 GLU B 27 14.170 18.031 -3.506 1.00 1.70 O ATOM 0 H GLU B 27 11.446 16.728 0.482 1.00 0.40 H new ATOM 0 HA GLU B 27 11.532 14.806 -1.510 1.00 0.45 H new ATOM 0 HB2 GLU B 27 13.838 16.264 -0.159 1.00 0.69 H new ATOM 0 HB3 GLU B 27 13.922 15.466 -1.717 1.00 0.69 H new ATOM 0 HG2 GLU B 27 12.101 17.028 -2.528 1.00 0.75 H new ATOM 0 HG3 GLU B 27 12.234 17.886 -1.005 1.00 0.75 H new ATOM 1543 N ASP B 28 13.074 13.870 1.245 1.00 0.38 N ATOM 1544 CA ASP B 28 13.679 12.735 1.933 1.00 0.39 C ATOM 1545 C ASP B 28 12.677 11.595 2.041 1.00 0.34 C ATOM 1546 O ASP B 28 13.009 10.430 1.804 1.00 0.38 O ATOM 1547 CB ASP B 28 14.154 13.152 3.327 1.00 0.46 C ATOM 1548 CG ASP B 28 14.913 12.053 4.042 1.00 1.00 C ATOM 1549 OD1 ASP B 28 14.278 11.242 4.747 1.00 1.84 O ATOM 1550 OD2 ASP B 28 16.154 11.998 3.910 1.00 1.64 O ATOM 0 H ASP B 28 12.982 14.708 1.819 1.00 0.38 H new ATOM 0 HA ASP B 28 14.540 12.395 1.357 1.00 0.39 H new ATOM 0 HB2 ASP B 28 14.793 14.031 3.240 1.00 0.46 H new ATOM 0 HB3 ASP B 28 13.292 13.442 3.928 1.00 0.46 H new ATOM 1555 N GLY B 29 11.442 11.942 2.383 1.00 0.30 N ATOM 1556 CA GLY B 29 10.388 10.956 2.456 1.00 0.30 C ATOM 1557 C GLY B 29 10.050 10.389 1.093 1.00 0.26 C ATOM 1558 O GLY B 29 9.873 9.179 0.945 1.00 0.24 O ATOM 0 H GLY B 29 11.154 12.893 2.611 1.00 0.30 H new ATOM 0 HA2 GLY B 29 10.693 10.147 3.120 1.00 0.30 H new ATOM 0 HA3 GLY B 29 9.497 11.408 2.892 1.00 0.30 H new ATOM 1562 N ALA B 30 9.959 11.266 0.097 1.00 0.24 N ATOM 1563 CA ALA B 30 9.672 10.863 -1.275 1.00 0.23 C ATOM 1564 C ALA B 30 10.670 9.828 -1.776 1.00 0.22 C ATOM 1565 O ALA B 30 10.278 8.803 -2.335 1.00 0.21 O ATOM 1566 CB ALA B 30 9.670 12.076 -2.191 1.00 0.24 C ATOM 0 H ALA B 30 10.082 12.271 0.218 1.00 0.24 H new ATOM 0 HA ALA B 30 8.683 10.404 -1.285 1.00 0.23 H new ATOM 0 HB1 ALA B 30 9.454 11.761 -3.212 1.00 0.24 H new ATOM 0 HB2 ALA B 30 8.907 12.781 -1.860 1.00 0.24 H new ATOM 0 HB3 ALA B 30 10.647 12.558 -2.159 1.00 0.24 H new ATOM 1572 N ASP B 31 11.956 10.092 -1.577 1.00 0.24 N ATOM 1573 CA ASP B 31 12.997 9.161 -2.003 1.00 0.25 C ATOM 1574 C ASP B 31 12.817 7.806 -1.328 1.00 0.24 C ATOM 1575 O ASP B 31 12.973 6.759 -1.960 1.00 0.23 O ATOM 1576 CB ASP B 31 14.388 9.714 -1.694 1.00 0.31 C ATOM 1577 CG ASP B 31 15.493 8.796 -2.193 1.00 0.77 C ATOM 1578 OD1 ASP B 31 15.771 8.802 -3.409 1.00 1.47 O ATOM 1579 OD2 ASP B 31 16.084 8.060 -1.378 1.00 1.34 O ATOM 0 H ASP B 31 12.303 10.938 -1.126 1.00 0.24 H new ATOM 0 HA ASP B 31 12.906 9.034 -3.082 1.00 0.25 H new ATOM 0 HB2 ASP B 31 14.498 10.696 -2.154 1.00 0.31 H new ATOM 0 HB3 ASP B 31 14.491 9.853 -0.618 1.00 0.31 H new ATOM 1584 N SER B 32 12.453 7.836 -0.053 1.00 0.24 N ATOM 1585 CA SER B 32 12.202 6.617 0.700 1.00 0.24 C ATOM 1586 C SER B 32 10.995 5.863 0.135 1.00 0.20 C ATOM 1587 O SER B 32 10.938 4.637 0.188 1.00 0.23 O ATOM 1588 CB SER B 32 11.986 6.950 2.174 1.00 0.26 C ATOM 1589 OG SER B 32 13.099 7.658 2.697 1.00 0.92 O ATOM 0 H SER B 32 12.325 8.695 0.482 1.00 0.24 H new ATOM 0 HA SER B 32 13.073 5.968 0.609 1.00 0.24 H new ATOM 0 HB2 SER B 32 11.082 7.548 2.288 1.00 0.26 H new ATOM 0 HB3 SER B 32 11.834 6.032 2.741 1.00 0.26 H new ATOM 0 HG SER B 32 13.075 8.585 2.380 1.00 0.92 H new ATOM 1595 N LEU B 33 10.037 6.597 -0.418 1.00 0.17 N ATOM 1596 CA LEU B 33 8.879 5.978 -1.054 1.00 0.15 C ATOM 1597 C LEU B 33 9.262 5.396 -2.407 1.00 0.14 C ATOM 1598 O LEU B 33 8.747 4.354 -2.814 1.00 0.13 O ATOM 1599 CB LEU B 33 7.745 6.989 -1.232 1.00 0.16 C ATOM 1600 CG LEU B 33 7.178 7.575 0.059 1.00 0.18 C ATOM 1601 CD1 LEU B 33 6.043 8.537 -0.256 1.00 0.21 C ATOM 1602 CD2 LEU B 33 6.703 6.466 0.988 1.00 0.19 C ATOM 0 H LEU B 33 10.038 7.617 -0.439 1.00 0.17 H new ATOM 0 HA LEU B 33 8.532 5.175 -0.404 1.00 0.15 H new ATOM 0 HB2 LEU B 33 8.106 7.808 -1.854 1.00 0.16 H new ATOM 0 HB3 LEU B 33 6.934 6.507 -1.778 1.00 0.16 H new ATOM 0 HG LEU B 33 7.968 8.127 0.568 1.00 0.18 H new ATOM 0 HD11 LEU B 33 5.647 8.948 0.672 1.00 0.21 H new ATOM 0 HD12 LEU B 33 6.416 9.347 -0.882 1.00 0.21 H new ATOM 0 HD13 LEU B 33 5.252 8.005 -0.784 1.00 0.21 H new ATOM 0 HD21 LEU B 33 6.302 6.904 1.902 1.00 0.19 H new ATOM 0 HD22 LEU B 33 5.925 5.885 0.493 1.00 0.19 H new ATOM 0 HD23 LEU B 33 7.541 5.814 1.235 1.00 0.19 H new ATOM 1614 N ASN B 34 10.172 6.071 -3.098 1.00 0.15 N ATOM 1615 CA ASN B 34 10.649 5.607 -4.395 1.00 0.16 C ATOM 1616 C ASN B 34 11.336 4.256 -4.268 1.00 0.16 C ATOM 1617 O ASN B 34 10.983 3.308 -4.969 1.00 0.17 O ATOM 1618 CB ASN B 34 11.597 6.626 -5.033 1.00 0.18 C ATOM 1619 CG ASN B 34 10.858 7.738 -5.757 1.00 0.18 C ATOM 1620 OD1 ASN B 34 10.529 7.614 -6.938 1.00 0.18 O ATOM 1621 ND2 ASN B 34 10.590 8.831 -5.062 1.00 0.21 N ATOM 0 H ASN B 34 10.595 6.943 -2.781 1.00 0.15 H new ATOM 0 HA ASN B 34 9.781 5.495 -5.045 1.00 0.16 H new ATOM 0 HB2 ASN B 34 12.232 7.060 -4.260 1.00 0.18 H new ATOM 0 HB3 ASN B 34 12.255 6.114 -5.736 1.00 0.18 H new ATOM 0 HD21 ASN B 34 10.095 9.607 -5.502 1.00 0.21 H new ATOM 0 HD22 ASN B 34 10.878 8.898 -4.086 1.00 0.21 H new ATOM 1628 N VAL B 35 12.296 4.160 -3.350 1.00 0.18 N ATOM 1629 CA VAL B 35 12.997 2.900 -3.129 1.00 0.20 C ATOM 1630 C VAL B 35 12.034 1.835 -2.609 1.00 0.18 C ATOM 1631 O VAL B 35 12.187 0.651 -2.903 1.00 0.21 O ATOM 1632 CB VAL B 35 14.191 3.048 -2.151 1.00 0.23 C ATOM 1633 CG1 VAL B 35 15.203 4.048 -2.686 1.00 0.26 C ATOM 1634 CG2 VAL B 35 13.725 3.459 -0.764 1.00 0.23 C ATOM 0 H VAL B 35 12.602 4.930 -2.755 1.00 0.18 H new ATOM 0 HA VAL B 35 13.399 2.592 -4.094 1.00 0.20 H new ATOM 0 HB VAL B 35 14.672 2.073 -2.069 1.00 0.23 H new ATOM 0 HG11 VAL B 35 16.033 4.137 -1.985 1.00 0.26 H new ATOM 0 HG12 VAL B 35 15.578 3.705 -3.650 1.00 0.26 H new ATOM 0 HG13 VAL B 35 14.725 5.020 -2.807 1.00 0.26 H new ATOM 0 HG21 VAL B 35 14.587 3.554 -0.104 1.00 0.23 H new ATOM 0 HG22 VAL B 35 13.206 4.416 -0.823 1.00 0.23 H new ATOM 0 HG23 VAL B 35 13.047 2.703 -0.369 1.00 0.23 H new ATOM 1644 N ALA B 36 11.023 2.269 -1.858 1.00 0.17 N ATOM 1645 CA ALA B 36 10.000 1.362 -1.360 1.00 0.17 C ATOM 1646 C ALA B 36 9.244 0.730 -2.520 1.00 0.15 C ATOM 1647 O ALA B 36 9.134 -0.493 -2.602 1.00 0.16 O ATOM 1648 CB ALA B 36 9.037 2.090 -0.428 1.00 0.18 C ATOM 0 H ALA B 36 10.894 3.243 -1.583 1.00 0.17 H new ATOM 0 HA ALA B 36 10.490 0.572 -0.791 1.00 0.17 H new ATOM 0 HB1 ALA B 36 8.281 1.392 -0.068 1.00 0.18 H new ATOM 0 HB2 ALA B 36 9.589 2.496 0.420 1.00 0.18 H new ATOM 0 HB3 ALA B 36 8.552 2.903 -0.969 1.00 0.18 H new ATOM 1654 N MET B 37 8.746 1.568 -3.429 1.00 0.14 N ATOM 1655 CA MET B 37 8.002 1.100 -4.589 1.00 0.15 C ATOM 1656 C MET B 37 8.809 0.109 -5.415 1.00 0.15 C ATOM 1657 O MET B 37 8.279 -0.907 -5.857 1.00 0.18 O ATOM 1658 CB MET B 37 7.593 2.280 -5.468 1.00 0.16 C ATOM 1659 CG MET B 37 6.529 3.171 -4.850 1.00 0.16 C ATOM 1660 SD MET B 37 5.966 4.462 -5.976 1.00 0.21 S ATOM 1661 CE MET B 37 7.461 5.426 -6.183 1.00 0.19 C ATOM 0 H MET B 37 8.848 2.582 -3.380 1.00 0.14 H new ATOM 0 HA MET B 37 7.112 0.591 -4.219 1.00 0.15 H new ATOM 0 HB2 MET B 37 8.476 2.882 -5.684 1.00 0.16 H new ATOM 0 HB3 MET B 37 7.225 1.900 -6.421 1.00 0.16 H new ATOM 0 HG2 MET B 37 5.678 2.560 -4.550 1.00 0.16 H new ATOM 0 HG3 MET B 37 6.926 3.631 -3.945 1.00 0.16 H new ATOM 0 HE1 MET B 37 7.270 6.251 -6.870 1.00 0.19 H new ATOM 0 HE2 MET B 37 7.775 5.823 -5.217 1.00 0.19 H new ATOM 0 HE3 MET B 37 8.250 4.792 -6.588 1.00 0.19 H new ATOM 1671 N ASP B 38 10.084 0.408 -5.630 1.00 0.18 N ATOM 1672 CA ASP B 38 10.948 -0.475 -6.410 1.00 0.23 C ATOM 1673 C ASP B 38 11.152 -1.815 -5.714 1.00 0.19 C ATOM 1674 O ASP B 38 11.187 -2.859 -6.368 1.00 0.23 O ATOM 1675 CB ASP B 38 12.293 0.190 -6.701 1.00 0.34 C ATOM 1676 CG ASP B 38 12.215 1.117 -7.896 1.00 0.90 C ATOM 1677 OD1 ASP B 38 11.664 2.224 -7.755 1.00 1.68 O ATOM 1678 OD2 ASP B 38 12.680 0.729 -8.990 1.00 1.42 O ATOM 0 H ASP B 38 10.542 1.249 -5.279 1.00 0.18 H new ATOM 0 HA ASP B 38 10.447 -0.665 -7.359 1.00 0.23 H new ATOM 0 HB2 ASP B 38 12.618 0.752 -5.825 1.00 0.34 H new ATOM 0 HB3 ASP B 38 13.046 -0.577 -6.884 1.00 0.34 H new ATOM 1683 N CYS B 39 11.267 -1.793 -4.392 1.00 0.18 N ATOM 1684 CA CYS B 39 11.402 -3.023 -3.621 1.00 0.18 C ATOM 1685 C CYS B 39 10.121 -3.850 -3.697 1.00 0.16 C ATOM 1686 O CYS B 39 10.166 -5.072 -3.826 1.00 0.19 O ATOM 1687 CB CYS B 39 11.745 -2.707 -2.164 1.00 0.21 C ATOM 1688 SG CYS B 39 13.330 -1.869 -1.947 1.00 0.27 S ATOM 0 H CYS B 39 11.270 -0.940 -3.833 1.00 0.18 H new ATOM 0 HA CYS B 39 12.215 -3.608 -4.051 1.00 0.18 H new ATOM 0 HB2 CYS B 39 10.956 -2.084 -1.743 1.00 0.21 H new ATOM 0 HB3 CYS B 39 11.756 -3.636 -1.594 1.00 0.21 H new ATOM 0 HG CYS B 39 13.237 -0.646 -2.379 1.00 0.27 H new ATOM 1694 N ILE B 40 8.981 -3.171 -3.638 1.00 0.14 N ATOM 1695 CA ILE B 40 7.682 -3.828 -3.753 1.00 0.14 C ATOM 1696 C ILE B 40 7.516 -4.418 -5.154 1.00 0.16 C ATOM 1697 O ILE B 40 7.082 -5.559 -5.323 1.00 0.16 O ATOM 1698 CB ILE B 40 6.534 -2.832 -3.475 1.00 0.13 C ATOM 1699 CG1 ILE B 40 6.685 -2.220 -2.081 1.00 0.14 C ATOM 1700 CG2 ILE B 40 5.187 -3.524 -3.604 1.00 0.16 C ATOM 1701 CD1 ILE B 40 5.775 -1.036 -1.833 1.00 0.16 C ATOM 0 H ILE B 40 8.929 -2.160 -3.511 1.00 0.14 H new ATOM 0 HA ILE B 40 7.639 -4.626 -3.012 1.00 0.14 H new ATOM 0 HB ILE B 40 6.585 -2.032 -4.214 1.00 0.13 H new ATOM 0 HG12 ILE B 40 6.481 -2.987 -1.334 1.00 0.14 H new ATOM 0 HG13 ILE B 40 7.720 -1.907 -1.942 1.00 0.14 H new ATOM 0 HG21 ILE B 40 4.390 -2.808 -3.405 1.00 0.16 H new ATOM 0 HG22 ILE B 40 5.076 -3.919 -4.614 1.00 0.16 H new ATOM 0 HG23 ILE B 40 5.128 -4.342 -2.886 1.00 0.16 H new ATOM 0 HD11 ILE B 40 5.939 -0.656 -0.825 1.00 0.16 H new ATOM 0 HD12 ILE B 40 5.994 -0.251 -2.557 1.00 0.16 H new ATOM 0 HD13 ILE B 40 4.736 -1.347 -1.939 1.00 0.16 H new ATOM 1713 N SER B 41 7.885 -3.618 -6.146 1.00 0.21 N ATOM 1714 CA SER B 41 7.854 -4.018 -7.546 1.00 0.28 C ATOM 1715 C SER B 41 8.668 -5.292 -7.760 1.00 0.30 C ATOM 1716 O SER B 41 8.166 -6.276 -8.306 1.00 0.34 O ATOM 1717 CB SER B 41 8.411 -2.871 -8.399 1.00 0.37 C ATOM 1718 OG SER B 41 8.537 -3.225 -9.762 1.00 1.13 O ATOM 0 H SER B 41 8.217 -2.665 -6.000 1.00 0.21 H new ATOM 0 HA SER B 41 6.827 -4.228 -7.843 1.00 0.28 H new ATOM 0 HB2 SER B 41 7.756 -2.005 -8.311 1.00 0.37 H new ATOM 0 HB3 SER B 41 9.386 -2.574 -8.012 1.00 0.37 H new ATOM 0 HG SER B 41 7.773 -3.777 -10.029 1.00 1.13 H new ATOM 1724 N GLU B 42 9.917 -5.260 -7.314 1.00 0.32 N ATOM 1725 CA GLU B 42 10.814 -6.403 -7.436 1.00 0.38 C ATOM 1726 C GLU B 42 10.263 -7.618 -6.688 1.00 0.32 C ATOM 1727 O GLU B 42 10.371 -8.752 -7.160 1.00 0.44 O ATOM 1728 CB GLU B 42 12.198 -6.048 -6.894 1.00 0.46 C ATOM 1729 CG GLU B 42 13.236 -7.131 -7.133 1.00 0.60 C ATOM 1730 CD GLU B 42 14.556 -6.834 -6.459 1.00 1.45 C ATOM 1731 OE1 GLU B 42 15.335 -6.021 -7.001 1.00 2.00 O ATOM 1732 OE2 GLU B 42 14.826 -7.420 -5.389 1.00 2.23 O ATOM 0 H GLU B 42 10.335 -4.448 -6.861 1.00 0.32 H new ATOM 0 HA GLU B 42 10.894 -6.656 -8.493 1.00 0.38 H new ATOM 0 HB2 GLU B 42 12.536 -5.122 -7.360 1.00 0.46 H new ATOM 0 HB3 GLU B 42 12.123 -5.857 -5.823 1.00 0.46 H new ATOM 0 HG2 GLU B 42 12.852 -8.083 -6.767 1.00 0.60 H new ATOM 0 HG3 GLU B 42 13.397 -7.243 -8.205 1.00 0.60 H new ATOM 1739 N ALA B 43 9.667 -7.369 -5.527 1.00 0.19 N ATOM 1740 CA ALA B 43 9.141 -8.435 -4.682 1.00 0.17 C ATOM 1741 C ALA B 43 8.070 -9.252 -5.400 1.00 0.17 C ATOM 1742 O ALA B 43 8.172 -10.475 -5.486 1.00 0.25 O ATOM 1743 CB ALA B 43 8.582 -7.856 -3.390 1.00 0.20 C ATOM 0 H ALA B 43 9.536 -6.431 -5.148 1.00 0.19 H new ATOM 0 HA ALA B 43 9.967 -9.107 -4.448 1.00 0.17 H new ATOM 0 HB1 ALA B 43 8.193 -8.662 -2.768 1.00 0.20 H new ATOM 0 HB2 ALA B 43 9.374 -7.334 -2.853 1.00 0.20 H new ATOM 0 HB3 ALA B 43 7.779 -7.157 -3.622 1.00 0.20 H new ATOM 1749 N PHE B 44 7.052 -8.577 -5.921 1.00 0.19 N ATOM 1750 CA PHE B 44 5.929 -9.268 -6.548 1.00 0.25 C ATOM 1751 C PHE B 44 6.158 -9.508 -8.038 1.00 0.30 C ATOM 1752 O PHE B 44 5.384 -10.212 -8.690 1.00 0.35 O ATOM 1753 CB PHE B 44 4.630 -8.488 -6.338 1.00 0.27 C ATOM 1754 CG PHE B 44 4.181 -8.435 -4.906 1.00 0.26 C ATOM 1755 CD1 PHE B 44 3.366 -9.425 -4.389 1.00 1.15 C ATOM 1756 CD2 PHE B 44 4.568 -7.392 -4.080 1.00 1.10 C ATOM 1757 CE1 PHE B 44 2.947 -9.380 -3.076 1.00 1.15 C ATOM 1758 CE2 PHE B 44 4.150 -7.343 -2.763 1.00 1.12 C ATOM 1759 CZ PHE B 44 3.337 -8.339 -2.261 1.00 0.31 C ATOM 0 H PHE B 44 6.980 -7.560 -5.923 1.00 0.19 H new ATOM 0 HA PHE B 44 5.847 -10.242 -6.065 1.00 0.25 H new ATOM 0 HB2 PHE B 44 4.764 -7.470 -6.705 1.00 0.27 H new ATOM 0 HB3 PHE B 44 3.843 -8.942 -6.940 1.00 0.27 H new ATOM 0 HD1 PHE B 44 3.054 -10.243 -5.021 1.00 1.15 H new ATOM 0 HD2 PHE B 44 5.203 -6.609 -4.469 1.00 1.10 H new ATOM 0 HE1 PHE B 44 2.312 -10.162 -2.686 1.00 1.15 H new ATOM 0 HE2 PHE B 44 4.459 -6.526 -2.128 1.00 1.12 H new ATOM 0 HZ PHE B 44 3.008 -8.303 -1.233 1.00 0.31 H new ATOM 1769 N GLY B 45 7.220 -8.913 -8.568 1.00 0.29 N ATOM 1770 CA GLY B 45 7.588 -9.122 -9.958 1.00 0.35 C ATOM 1771 C GLY B 45 6.639 -8.454 -10.935 1.00 0.37 C ATOM 1772 O GLY B 45 6.197 -9.072 -11.904 1.00 0.43 O ATOM 0 H GLY B 45 7.838 -8.284 -8.056 1.00 0.29 H new ATOM 0 HA2 GLY B 45 8.596 -8.740 -10.122 1.00 0.35 H new ATOM 0 HA3 GLY B 45 7.616 -10.192 -10.163 1.00 0.35 H new ATOM 1776 N PHE B 46 6.335 -7.188 -10.692 1.00 0.36 N ATOM 1777 CA PHE B 46 5.416 -6.449 -11.549 1.00 0.39 C ATOM 1778 C PHE B 46 5.956 -5.047 -11.802 1.00 0.39 C ATOM 1779 O PHE B 46 6.792 -4.560 -11.046 1.00 0.40 O ATOM 1780 CB PHE B 46 4.026 -6.369 -10.902 1.00 0.36 C ATOM 1781 CG PHE B 46 3.949 -5.436 -9.724 1.00 0.30 C ATOM 1782 CD1 PHE B 46 4.530 -5.774 -8.514 1.00 1.17 C ATOM 1783 CD2 PHE B 46 3.297 -4.219 -9.832 1.00 1.27 C ATOM 1784 CE1 PHE B 46 4.463 -4.916 -7.435 1.00 1.17 C ATOM 1785 CE2 PHE B 46 3.227 -3.357 -8.756 1.00 1.26 C ATOM 1786 CZ PHE B 46 3.811 -3.706 -7.555 1.00 0.21 C ATOM 0 H PHE B 46 6.710 -6.650 -9.910 1.00 0.36 H new ATOM 0 HA PHE B 46 5.326 -6.974 -12.500 1.00 0.39 H new ATOM 0 HB2 PHE B 46 3.305 -6.048 -11.654 1.00 0.36 H new ATOM 0 HB3 PHE B 46 3.728 -7.367 -10.581 1.00 0.36 H new ATOM 0 HD1 PHE B 46 5.042 -6.720 -8.413 1.00 1.17 H new ATOM 0 HD2 PHE B 46 2.838 -3.941 -10.769 1.00 1.27 H new ATOM 0 HE1 PHE B 46 4.921 -5.192 -6.497 1.00 1.17 H new ATOM 0 HE2 PHE B 46 2.716 -2.411 -8.854 1.00 1.26 H new ATOM 0 HZ PHE B 46 3.758 -3.034 -6.711 1.00 0.21 H new ATOM 1796 N GLU B 47 5.466 -4.400 -12.850 1.00 0.41 N ATOM 1797 CA GLU B 47 5.917 -3.057 -13.204 1.00 0.44 C ATOM 1798 C GLU B 47 5.046 -2.013 -12.519 1.00 0.40 C ATOM 1799 O GLU B 47 3.874 -2.258 -12.238 1.00 0.39 O ATOM 1800 CB GLU B 47 5.860 -2.869 -14.719 1.00 0.53 C ATOM 1801 CG GLU B 47 6.856 -3.731 -15.472 1.00 0.59 C ATOM 1802 CD GLU B 47 6.654 -3.673 -16.967 1.00 1.14 C ATOM 1803 OE1 GLU B 47 6.959 -2.624 -17.577 1.00 1.55 O ATOM 1804 OE2 GLU B 47 6.180 -4.672 -17.546 1.00 1.92 O ATOM 0 H GLU B 47 4.754 -4.782 -13.473 1.00 0.41 H new ATOM 0 HA GLU B 47 6.947 -2.933 -12.868 1.00 0.44 H new ATOM 0 HB2 GLU B 47 4.854 -3.100 -15.069 1.00 0.53 H new ATOM 0 HB3 GLU B 47 6.047 -1.821 -14.955 1.00 0.53 H new ATOM 0 HG2 GLU B 47 7.868 -3.405 -15.232 1.00 0.59 H new ATOM 0 HG3 GLU B 47 6.765 -4.764 -15.136 1.00 0.59 H new ATOM 1811 N ARG B 48 5.611 -0.828 -12.293 1.00 0.41 N ATOM 1812 CA ARG B 48 4.936 0.207 -11.518 1.00 0.40 C ATOM 1813 C ARG B 48 3.918 0.930 -12.389 1.00 0.41 C ATOM 1814 O ARG B 48 2.967 1.524 -11.891 1.00 0.43 O ATOM 1815 CB ARG B 48 5.940 1.227 -10.964 1.00 0.44 C ATOM 1816 CG ARG B 48 7.139 0.612 -10.259 1.00 0.61 C ATOM 1817 CD ARG B 48 8.012 1.681 -9.607 1.00 0.91 C ATOM 1818 NE ARG B 48 8.228 2.835 -10.485 1.00 1.19 N ATOM 1819 CZ ARG B 48 9.068 3.841 -10.217 1.00 1.88 C ATOM 1820 NH1 ARG B 48 9.892 3.780 -9.178 1.00 2.57 N ATOM 1821 NH2 ARG B 48 9.109 4.896 -11.019 1.00 2.20 N ATOM 0 H ARG B 48 6.534 -0.563 -12.636 1.00 0.41 H new ATOM 0 HA ARG B 48 4.431 -0.277 -10.682 1.00 0.40 H new ATOM 0 HB2 ARG B 48 6.297 1.849 -11.785 1.00 0.44 H new ATOM 0 HB3 ARG B 48 5.422 1.885 -10.266 1.00 0.44 H new ATOM 0 HG2 ARG B 48 6.795 -0.091 -9.500 1.00 0.61 H new ATOM 0 HG3 ARG B 48 7.732 0.044 -10.976 1.00 0.61 H new ATOM 0 HD2 ARG B 48 7.543 2.015 -8.681 1.00 0.91 H new ATOM 0 HD3 ARG B 48 8.975 1.246 -9.338 1.00 0.91 H new ATOM 0 HE ARG B 48 7.703 2.873 -11.359 1.00 1.19 H new ATOM 0 HH11 ARG B 48 9.890 2.959 -8.573 1.00 2.57 H new ATOM 0 HH12 ARG B 48 10.527 4.554 -8.985 1.00 2.57 H new ATOM 0 HH21 ARG B 48 8.501 4.939 -11.837 1.00 2.20 H new ATOM 0 HH22 ARG B 48 9.748 5.665 -10.818 1.00 2.20 H new ATOM 1835 N GLU B 49 4.143 0.892 -13.697 1.00 0.42 N ATOM 1836 CA GLU B 49 3.242 1.530 -14.649 1.00 0.46 C ATOM 1837 C GLU B 49 2.118 0.579 -15.051 1.00 0.43 C ATOM 1838 O GLU B 49 1.104 0.995 -15.613 1.00 0.46 O ATOM 1839 CB GLU B 49 4.013 1.972 -15.893 1.00 0.57 C ATOM 1840 CG GLU B 49 4.622 0.816 -16.673 1.00 1.14 C ATOM 1841 CD GLU B 49 5.312 1.265 -17.940 1.00 1.54 C ATOM 1842 OE1 GLU B 49 4.611 1.676 -18.888 1.00 2.04 O ATOM 1843 OE2 GLU B 49 6.556 1.213 -17.993 1.00 2.24 O ATOM 0 H GLU B 49 4.943 0.425 -14.123 1.00 0.42 H new ATOM 0 HA GLU B 49 2.804 2.405 -14.168 1.00 0.46 H new ATOM 0 HB2 GLU B 49 3.342 2.528 -16.548 1.00 0.57 H new ATOM 0 HB3 GLU B 49 4.807 2.657 -15.594 1.00 0.57 H new ATOM 0 HG2 GLU B 49 5.339 0.294 -16.040 1.00 1.14 H new ATOM 0 HG3 GLU B 49 3.839 0.101 -16.925 1.00 1.14 H new ATOM 1850 N ALA B 50 2.299 -0.699 -14.744 1.00 0.41 N ATOM 1851 CA ALA B 50 1.336 -1.723 -15.128 1.00 0.42 C ATOM 1852 C ALA B 50 0.195 -1.803 -14.125 1.00 0.37 C ATOM 1853 O ALA B 50 -0.715 -2.622 -14.265 1.00 0.41 O ATOM 1854 CB ALA B 50 2.027 -3.071 -15.256 1.00 0.48 C ATOM 0 H ALA B 50 3.106 -1.052 -14.229 1.00 0.41 H new ATOM 0 HA ALA B 50 0.914 -1.450 -16.095 1.00 0.42 H new ATOM 0 HB1 ALA B 50 1.297 -3.828 -15.543 1.00 0.48 H new ATOM 0 HB2 ALA B 50 2.805 -3.010 -16.017 1.00 0.48 H new ATOM 0 HB3 ALA B 50 2.474 -3.343 -14.300 1.00 0.48 H new ATOM 1860 N VAL B 51 0.263 -0.945 -13.112 1.00 0.33 N ATOM 1861 CA VAL B 51 -0.741 -0.905 -12.054 1.00 0.31 C ATOM 1862 C VAL B 51 -2.163 -0.837 -12.601 1.00 0.36 C ATOM 1863 O VAL B 51 -3.033 -1.552 -12.125 1.00 0.41 O ATOM 1864 CB VAL B 51 -0.511 0.275 -11.086 1.00 0.29 C ATOM 1865 CG1 VAL B 51 0.755 0.059 -10.278 1.00 0.26 C ATOM 1866 CG2 VAL B 51 -0.445 1.597 -11.838 1.00 0.33 C ATOM 0 H VAL B 51 1.012 -0.261 -13.001 1.00 0.33 H new ATOM 0 HA VAL B 51 -0.627 -1.841 -11.507 1.00 0.31 H new ATOM 0 HB VAL B 51 -1.358 0.320 -10.402 1.00 0.29 H new ATOM 0 HG11 VAL B 51 0.902 0.900 -9.601 1.00 0.26 H new ATOM 0 HG12 VAL B 51 0.665 -0.861 -9.700 1.00 0.26 H new ATOM 0 HG13 VAL B 51 1.608 -0.018 -10.952 1.00 0.26 H new ATOM 0 HG21 VAL B 51 -0.282 2.410 -11.131 1.00 0.33 H new ATOM 0 HG22 VAL B 51 0.377 1.568 -12.553 1.00 0.33 H new ATOM 0 HG23 VAL B 51 -1.383 1.760 -12.369 1.00 0.33 H new ATOM 1876 N SER B 52 -2.392 -0.003 -13.609 1.00 0.37 N ATOM 1877 CA SER B 52 -3.724 0.165 -14.178 1.00 0.45 C ATOM 1878 C SER B 52 -4.257 -1.159 -14.726 1.00 0.47 C ATOM 1879 O SER B 52 -5.395 -1.547 -14.449 1.00 0.50 O ATOM 1880 CB SER B 52 -3.676 1.226 -15.274 1.00 0.53 C ATOM 1881 OG SER B 52 -2.534 1.045 -16.092 1.00 1.25 O ATOM 0 H SER B 52 -1.671 0.568 -14.050 1.00 0.37 H new ATOM 0 HA SER B 52 -4.406 0.492 -13.393 1.00 0.45 H new ATOM 0 HB2 SER B 52 -4.579 1.170 -15.882 1.00 0.53 H new ATOM 0 HB3 SER B 52 -3.655 2.219 -14.826 1.00 0.53 H new ATOM 0 HG SER B 52 -2.520 1.732 -16.790 1.00 1.25 H new ATOM 1887 N GLY B 53 -3.424 -1.837 -15.505 1.00 0.50 N ATOM 1888 CA GLY B 53 -3.778 -3.146 -16.023 1.00 0.57 C ATOM 1889 C GLY B 53 -4.102 -4.139 -14.922 1.00 0.54 C ATOM 1890 O GLY B 53 -5.087 -4.873 -15.008 1.00 0.59 O ATOM 0 H GLY B 53 -2.504 -1.502 -15.789 1.00 0.50 H new ATOM 0 HA2 GLY B 53 -4.638 -3.050 -16.686 1.00 0.57 H new ATOM 0 HA3 GLY B 53 -2.954 -3.531 -16.624 1.00 0.57 H new ATOM 1894 N ILE B 54 -3.286 -4.145 -13.876 1.00 0.50 N ATOM 1895 CA ILE B 54 -3.483 -5.061 -12.760 1.00 0.51 C ATOM 1896 C ILE B 54 -4.738 -4.687 -11.972 1.00 0.50 C ATOM 1897 O ILE B 54 -5.579 -5.536 -11.687 1.00 0.57 O ATOM 1898 CB ILE B 54 -2.263 -5.067 -11.812 1.00 0.49 C ATOM 1899 CG1 ILE B 54 -0.990 -5.410 -12.591 1.00 0.48 C ATOM 1900 CG2 ILE B 54 -2.476 -6.061 -10.678 1.00 0.55 C ATOM 1901 CD1 ILE B 54 0.271 -5.363 -11.754 1.00 0.48 C ATOM 0 H ILE B 54 -2.481 -3.526 -13.777 1.00 0.50 H new ATOM 0 HA ILE B 54 -3.602 -6.061 -13.178 1.00 0.51 H new ATOM 0 HB ILE B 54 -2.151 -4.072 -11.381 1.00 0.49 H new ATOM 0 HG12 ILE B 54 -1.094 -6.407 -13.018 1.00 0.48 H new ATOM 0 HG13 ILE B 54 -0.887 -4.715 -13.425 1.00 0.48 H new ATOM 0 HG21 ILE B 54 -1.608 -6.053 -10.019 1.00 0.55 H new ATOM 0 HG22 ILE B 54 -3.364 -5.781 -10.111 1.00 0.55 H new ATOM 0 HG23 ILE B 54 -2.609 -7.061 -11.091 1.00 0.55 H new ATOM 0 HD11 ILE B 54 1.130 -5.617 -12.375 1.00 0.48 H new ATOM 0 HD12 ILE B 54 0.401 -4.360 -11.348 1.00 0.48 H new ATOM 0 HD13 ILE B 54 0.191 -6.078 -10.935 1.00 0.48 H new ATOM 1913 N LEU B 55 -4.843 -3.412 -11.624 1.00 0.46 N ATOM 1914 CA LEU B 55 -5.998 -2.890 -10.900 1.00 0.48 C ATOM 1915 C LEU B 55 -7.299 -3.161 -11.652 1.00 0.55 C ATOM 1916 O LEU B 55 -8.349 -3.334 -11.039 1.00 0.65 O ATOM 1917 CB LEU B 55 -5.836 -1.390 -10.634 1.00 0.48 C ATOM 1918 CG LEU B 55 -4.642 -1.020 -9.750 1.00 0.46 C ATOM 1919 CD1 LEU B 55 -4.584 0.480 -9.518 1.00 0.51 C ATOM 1920 CD2 LEU B 55 -4.706 -1.765 -8.427 1.00 0.45 C ATOM 0 H LEU B 55 -4.133 -2.710 -11.834 1.00 0.46 H new ATOM 0 HA LEU B 55 -6.051 -3.411 -9.944 1.00 0.48 H new ATOM 0 HB2 LEU B 55 -5.736 -0.875 -11.589 1.00 0.48 H new ATOM 0 HB3 LEU B 55 -6.747 -1.018 -10.165 1.00 0.48 H new ATOM 0 HG LEU B 55 -3.731 -1.317 -10.269 1.00 0.46 H new ATOM 0 HD11 LEU B 55 -3.727 0.718 -8.887 1.00 0.51 H new ATOM 0 HD12 LEU B 55 -4.484 0.993 -10.475 1.00 0.51 H new ATOM 0 HD13 LEU B 55 -5.499 0.808 -9.025 1.00 0.51 H new ATOM 0 HD21 LEU B 55 -3.849 -1.489 -7.812 1.00 0.45 H new ATOM 0 HD22 LEU B 55 -5.626 -1.502 -7.906 1.00 0.45 H new ATOM 0 HD23 LEU B 55 -4.688 -2.839 -8.613 1.00 0.45 H new ATOM 1932 N GLY B 56 -7.232 -3.180 -12.979 1.00 0.58 N ATOM 1933 CA GLY B 56 -8.383 -3.572 -13.781 1.00 0.70 C ATOM 1934 C GLY B 56 -8.923 -4.955 -13.439 1.00 0.81 C ATOM 1935 O GLY B 56 -10.082 -5.259 -13.725 1.00 0.91 O ATOM 0 H GLY B 56 -6.402 -2.931 -13.517 1.00 0.58 H new ATOM 0 HA2 GLY B 56 -9.177 -2.838 -13.645 1.00 0.70 H new ATOM 0 HA3 GLY B 56 -8.105 -3.550 -14.835 1.00 0.70 H new ATOM 1939 N LYS B 57 -8.099 -5.789 -12.812 1.00 0.86 N ATOM 1940 CA LYS B 57 -8.506 -7.145 -12.458 1.00 1.05 C ATOM 1941 C LYS B 57 -9.152 -7.187 -11.073 1.00 0.93 C ATOM 1942 O LYS B 57 -9.545 -8.257 -10.604 1.00 1.07 O ATOM 1943 CB LYS B 57 -7.303 -8.095 -12.464 1.00 1.28 C ATOM 1944 CG LYS B 57 -6.528 -8.124 -13.772 1.00 1.07 C ATOM 1945 CD LYS B 57 -5.412 -9.163 -13.738 1.00 1.26 C ATOM 1946 CE LYS B 57 -4.414 -8.895 -12.617 1.00 1.62 C ATOM 1947 NZ LYS B 57 -3.321 -9.907 -12.587 1.00 2.21 N ATOM 0 H LYS B 57 -7.146 -5.550 -12.539 1.00 0.86 H new ATOM 0 HA LYS B 57 -9.232 -7.464 -13.205 1.00 1.05 H new ATOM 0 HB2 LYS B 57 -6.625 -7.807 -11.661 1.00 1.28 H new ATOM 0 HB3 LYS B 57 -7.651 -9.103 -12.240 1.00 1.28 H new ATOM 0 HG2 LYS B 57 -7.208 -8.346 -14.594 1.00 1.07 H new ATOM 0 HG3 LYS B 57 -6.104 -7.139 -13.967 1.00 1.07 H new ATOM 0 HD2 LYS B 57 -5.845 -10.155 -13.608 1.00 1.26 H new ATOM 0 HD3 LYS B 57 -4.890 -9.165 -14.695 1.00 1.26 H new ATOM 0 HE2 LYS B 57 -3.984 -7.901 -12.744 1.00 1.62 H new ATOM 0 HE3 LYS B 57 -4.935 -8.896 -11.660 1.00 1.62 H new ATOM 0 HZ1 LYS B 57 -2.595 -9.614 -11.902 1.00 2.21 H new ATOM 0 HZ2 LYS B 57 -3.710 -10.830 -12.306 1.00 2.21 H new ATOM 0 HZ3 LYS B 57 -2.894 -9.985 -13.532 1.00 2.21 H new ATOM 1961 N SER B 58 -9.261 -6.025 -10.431 1.00 0.80 N ATOM 1962 CA SER B 58 -9.730 -5.938 -9.048 1.00 0.90 C ATOM 1963 C SER B 58 -11.086 -6.617 -8.846 1.00 1.08 C ATOM 1964 O SER B 58 -12.054 -6.345 -9.564 1.00 1.50 O ATOM 1965 CB SER B 58 -9.804 -4.475 -8.604 1.00 1.28 C ATOM 1966 OG SER B 58 -10.508 -3.684 -9.548 1.00 1.94 O ATOM 0 H SER B 58 -9.029 -5.124 -10.850 1.00 0.80 H new ATOM 0 HA SER B 58 -9.006 -6.471 -8.431 1.00 0.90 H new ATOM 0 HB2 SER B 58 -10.297 -4.412 -7.634 1.00 1.28 H new ATOM 0 HB3 SER B 58 -8.796 -4.080 -8.476 1.00 1.28 H new ATOM 0 HG SER B 58 -9.892 -3.388 -10.250 1.00 1.94 H new ATOM 1972 N GLU B 59 -11.134 -7.515 -7.869 1.00 1.62 N ATOM 1973 CA GLU B 59 -12.365 -8.204 -7.509 1.00 2.19 C ATOM 1974 C GLU B 59 -13.191 -7.352 -6.545 1.00 1.89 C ATOM 1975 O GLU B 59 -14.377 -7.601 -6.345 1.00 2.42 O ATOM 1976 CB GLU B 59 -12.033 -9.554 -6.862 1.00 3.10 C ATOM 1977 CG GLU B 59 -13.236 -10.458 -6.652 1.00 3.92 C ATOM 1978 CD GLU B 59 -13.886 -10.872 -7.956 1.00 4.48 C ATOM 1979 OE1 GLU B 59 -13.446 -11.876 -8.552 1.00 5.06 O ATOM 1980 OE2 GLU B 59 -14.835 -10.195 -8.398 1.00 4.68 O ATOM 0 H GLU B 59 -10.326 -7.784 -7.308 1.00 1.62 H new ATOM 0 HA GLU B 59 -12.951 -8.372 -8.413 1.00 2.19 H new ATOM 0 HB2 GLU B 59 -11.307 -10.074 -7.486 1.00 3.10 H new ATOM 0 HB3 GLU B 59 -11.555 -9.375 -5.899 1.00 3.10 H new ATOM 0 HG2 GLU B 59 -12.926 -11.349 -6.106 1.00 3.92 H new ATOM 0 HG3 GLU B 59 -13.970 -9.943 -6.032 1.00 3.92 H new ATOM 1987 N PHE B 60 -12.551 -6.335 -5.969 1.00 1.45 N ATOM 1988 CA PHE B 60 -13.182 -5.474 -4.972 1.00 1.67 C ATOM 1989 C PHE B 60 -14.521 -4.925 -5.456 1.00 2.21 C ATOM 1990 O PHE B 60 -14.576 -4.112 -6.383 1.00 2.78 O ATOM 1991 CB PHE B 60 -12.268 -4.300 -4.619 1.00 1.52 C ATOM 1992 CG PHE B 60 -10.969 -4.698 -3.982 1.00 1.38 C ATOM 1993 CD1 PHE B 60 -10.937 -5.148 -2.673 1.00 1.89 C ATOM 1994 CD2 PHE B 60 -9.778 -4.602 -4.683 1.00 1.91 C ATOM 1995 CE1 PHE B 60 -9.745 -5.498 -2.075 1.00 2.30 C ATOM 1996 CE2 PHE B 60 -8.582 -4.954 -4.090 1.00 2.24 C ATOM 1997 CZ PHE B 60 -8.568 -5.400 -2.784 1.00 2.23 C ATOM 0 H PHE B 60 -11.585 -6.086 -6.180 1.00 1.45 H new ATOM 0 HA PHE B 60 -13.357 -6.091 -4.090 1.00 1.67 H new ATOM 0 HB2 PHE B 60 -12.056 -3.734 -5.526 1.00 1.52 H new ATOM 0 HB3 PHE B 60 -12.800 -3.631 -3.943 1.00 1.52 H new ATOM 0 HD1 PHE B 60 -11.857 -5.226 -2.113 1.00 1.89 H new ATOM 0 HD2 PHE B 60 -9.785 -4.248 -5.703 1.00 1.91 H new ATOM 0 HE1 PHE B 60 -9.734 -5.848 -1.053 1.00 2.30 H new ATOM 0 HE2 PHE B 60 -7.660 -4.881 -4.647 1.00 2.24 H new ATOM 0 HZ PHE B 60 -7.633 -5.673 -2.317 1.00 2.23 H new ATOM 2007 N LYS B 61 -15.598 -5.373 -4.830 1.00 2.57 N ATOM 2008 CA LYS B 61 -16.925 -4.865 -5.148 1.00 3.15 C ATOM 2009 C LYS B 61 -17.372 -3.853 -4.100 1.00 3.26 C ATOM 2010 O LYS B 61 -18.480 -3.324 -4.164 1.00 3.94 O ATOM 2011 CB LYS B 61 -17.942 -6.004 -5.263 1.00 3.86 C ATOM 2012 CG LYS B 61 -18.058 -6.859 -4.016 1.00 4.31 C ATOM 2013 CD LYS B 61 -19.118 -7.936 -4.175 1.00 5.03 C ATOM 2014 CE LYS B 61 -19.109 -8.902 -3.004 1.00 5.70 C ATOM 2015 NZ LYS B 61 -17.876 -9.729 -2.975 1.00 6.16 N ATOM 0 H LYS B 61 -15.581 -6.086 -4.100 1.00 2.57 H new ATOM 0 HA LYS B 61 -16.871 -4.366 -6.116 1.00 3.15 H new ATOM 0 HB2 LYS B 61 -18.920 -5.581 -5.493 1.00 3.86 H new ATOM 0 HB3 LYS B 61 -17.664 -6.641 -6.103 1.00 3.86 H new ATOM 0 HG2 LYS B 61 -17.096 -7.323 -3.801 1.00 4.31 H new ATOM 0 HG3 LYS B 61 -18.305 -6.228 -3.162 1.00 4.31 H new ATOM 0 HD2 LYS B 61 -20.101 -7.472 -4.257 1.00 5.03 H new ATOM 0 HD3 LYS B 61 -18.946 -8.484 -5.101 1.00 5.03 H new ATOM 0 HE2 LYS B 61 -19.193 -8.343 -2.072 1.00 5.70 H new ATOM 0 HE3 LYS B 61 -19.981 -9.553 -3.064 1.00 5.70 H new ATOM 0 HZ1 LYS B 61 -17.918 -10.386 -2.170 1.00 6.16 H new ATOM 0 HZ2 LYS B 61 -17.800 -10.270 -3.860 1.00 6.16 H new ATOM 0 HZ3 LYS B 61 -17.046 -9.111 -2.874 1.00 6.16 H new ATOM 2029 N GLY B 62 -16.501 -3.591 -3.134 1.00 2.97 N ATOM 2030 CA GLY B 62 -16.777 -2.573 -2.142 1.00 3.30 C ATOM 2031 C GLY B 62 -16.402 -1.193 -2.640 1.00 2.72 C ATOM 2032 O GLY B 62 -16.880 -0.182 -2.120 1.00 2.96 O ATOM 0 H GLY B 62 -15.606 -4.067 -3.021 1.00 2.97 H new ATOM 0 HA2 GLY B 62 -17.836 -2.592 -1.885 1.00 3.30 H new ATOM 0 HA3 GLY B 62 -16.223 -2.794 -1.229 1.00 3.30 H new ATOM 2036 N GLN B 63 -15.554 -1.164 -3.662 1.00 2.45 N ATOM 2037 CA GLN B 63 -15.123 0.086 -4.274 1.00 2.64 C ATOM 2038 C GLN B 63 -16.294 0.770 -4.969 1.00 3.03 C ATOM 2039 O GLN B 63 -17.017 0.140 -5.746 1.00 3.00 O ATOM 2040 CB GLN B 63 -14.005 -0.171 -5.286 1.00 3.07 C ATOM 2041 CG GLN B 63 -12.720 -0.697 -4.670 1.00 3.22 C ATOM 2042 CD GLN B 63 -11.637 -0.955 -5.704 1.00 3.65 C ATOM 2043 OE1 GLN B 63 -12.037 -1.325 -6.913 1.00 4.20 O flip ATOM 2044 NE2 GLN B 63 -10.447 -0.831 -5.420 1.00 3.78 N flip ATOM 0 H GLN B 63 -15.149 -1.999 -4.086 1.00 2.45 H new ATOM 0 HA GLN B 63 -14.746 0.738 -3.486 1.00 2.64 H new ATOM 0 HB2 GLN B 63 -14.359 -0.886 -6.028 1.00 3.07 H new ATOM 0 HB3 GLN B 63 -13.788 0.757 -5.815 1.00 3.07 H new ATOM 0 HG2 GLN B 63 -12.353 0.021 -3.937 1.00 3.22 H new ATOM 0 HG3 GLN B 63 -12.931 -1.622 -4.133 1.00 3.22 H new ATOM 0 HE21 GLN B 63 -10.174 -0.545 -4.480 1.00 3.78 H new ATOM 0 HE22 GLN B 63 -9.733 -1.015 -6.125 1.00 3.78 H new ATOM 2053 N HIS B 64 -16.477 2.053 -4.688 1.00 3.74 N ATOM 2054 CA HIS B 64 -17.573 2.819 -5.271 1.00 4.40 C ATOM 2055 C HIS B 64 -17.351 4.317 -5.074 1.00 4.17 C ATOM 2056 O HIS B 64 -17.769 5.132 -5.898 1.00 4.38 O ATOM 2057 CB HIS B 64 -18.909 2.400 -4.642 1.00 5.10 C ATOM 2058 CG HIS B 64 -20.093 3.138 -5.186 1.00 5.78 C ATOM 2059 ND1 HIS B 64 -20.847 4.013 -4.433 1.00 6.38 N ATOM 2060 CD2 HIS B 64 -20.651 3.127 -6.418 1.00 6.26 C ATOM 2061 CE1 HIS B 64 -21.817 4.506 -5.179 1.00 7.07 C ATOM 2062 NE2 HIS B 64 -21.721 3.986 -6.388 1.00 7.04 N ATOM 0 H HIS B 64 -15.879 2.588 -4.058 1.00 3.74 H new ATOM 0 HA HIS B 64 -17.603 2.611 -6.340 1.00 4.40 H new ATOM 0 HB2 HIS B 64 -19.055 1.331 -4.801 1.00 5.10 H new ATOM 0 HB3 HIS B 64 -18.858 2.558 -3.565 1.00 5.10 H new ATOM 0 HD2 HIS B 64 -20.317 2.550 -7.267 1.00 6.26 H new ATOM 0 HE1 HIS B 64 -22.564 5.216 -4.855 1.00 7.07 H new ATOM 0 HE2 HIS B 64 -22.341 4.189 -7.172 1.00 7.04 H new ATOM 2071 N LEU B 65 -16.692 4.672 -3.981 1.00 4.09 N ATOM 2072 CA LEU B 65 -16.470 6.071 -3.642 1.00 4.04 C ATOM 2073 C LEU B 65 -15.266 6.624 -4.396 1.00 3.37 C ATOM 2074 O LEU B 65 -14.471 5.871 -4.960 1.00 3.67 O ATOM 2075 CB LEU B 65 -16.248 6.241 -2.132 1.00 5.03 C ATOM 2076 CG LEU B 65 -17.452 5.932 -1.234 1.00 6.07 C ATOM 2077 CD1 LEU B 65 -17.684 4.432 -1.116 1.00 6.83 C ATOM 2078 CD2 LEU B 65 -17.254 6.548 0.140 1.00 6.72 C ATOM 0 H LEU B 65 -16.301 4.009 -3.312 1.00 4.09 H new ATOM 0 HA LEU B 65 -17.361 6.626 -3.934 1.00 4.04 H new ATOM 0 HB2 LEU B 65 -15.422 5.596 -1.832 1.00 5.03 H new ATOM 0 HB3 LEU B 65 -15.935 7.268 -1.945 1.00 5.03 H new ATOM 0 HG LEU B 65 -18.337 6.371 -1.694 1.00 6.07 H new ATOM 0 HD11 LEU B 65 -18.544 4.246 -0.473 1.00 6.83 H new ATOM 0 HD12 LEU B 65 -17.873 4.014 -2.105 1.00 6.83 H new ATOM 0 HD13 LEU B 65 -16.801 3.960 -0.686 1.00 6.83 H new ATOM 0 HD21 LEU B 65 -18.116 6.321 0.768 1.00 6.72 H new ATOM 0 HD22 LEU B 65 -16.354 6.137 0.597 1.00 6.72 H new ATOM 0 HD23 LEU B 65 -17.150 7.629 0.043 1.00 6.72 H new ATOM 2090 N ALA B 66 -15.146 7.944 -4.415 1.00 3.05 N ATOM 2091 CA ALA B 66 -13.996 8.603 -5.019 1.00 2.95 C ATOM 2092 C ALA B 66 -12.899 8.792 -3.975 1.00 2.88 C ATOM 2093 O ALA B 66 -12.209 9.817 -3.942 1.00 3.12 O ATOM 2094 CB ALA B 66 -14.406 9.937 -5.624 1.00 3.20 C ATOM 0 H ALA B 66 -15.835 8.583 -4.017 1.00 3.05 H new ATOM 0 HA ALA B 66 -13.607 7.976 -5.821 1.00 2.95 H new ATOM 0 HB1 ALA B 66 -13.535 10.417 -6.071 1.00 3.20 H new ATOM 0 HB2 ALA B 66 -15.163 9.772 -6.391 1.00 3.20 H new ATOM 0 HB3 ALA B 66 -14.814 10.580 -4.844 1.00 3.20 H new ATOM 2100 N ASP B 67 -12.781 7.799 -3.104 1.00 3.15 N ATOM 2101 CA ASP B 67 -11.784 7.788 -2.046 1.00 3.66 C ATOM 2102 C ASP B 67 -10.444 7.288 -2.577 1.00 3.20 C ATOM 2103 O ASP B 67 -9.407 7.924 -2.380 1.00 3.63 O ATOM 2104 CB ASP B 67 -12.265 6.920 -0.869 1.00 4.57 C ATOM 2105 CG ASP B 67 -12.588 5.480 -1.256 1.00 5.20 C ATOM 2106 OD1 ASP B 67 -13.032 5.243 -2.404 1.00 5.67 O ATOM 2107 OD2 ASP B 67 -12.407 4.581 -0.416 1.00 5.59 O ATOM 0 H ASP B 67 -13.380 6.973 -3.113 1.00 3.15 H new ATOM 0 HA ASP B 67 -11.646 8.808 -1.687 1.00 3.66 H new ATOM 0 HB2 ASP B 67 -11.496 6.915 -0.096 1.00 4.57 H new ATOM 0 HB3 ASP B 67 -13.153 7.377 -0.432 1.00 4.57 H new ATOM 2112 N ILE B 68 -10.468 6.152 -3.259 1.00 2.65 N ATOM 2113 CA ILE B 68 -9.263 5.581 -3.838 1.00 2.40 C ATOM 2114 C ILE B 68 -8.894 6.313 -5.129 1.00 2.11 C ATOM 2115 O ILE B 68 -9.299 5.921 -6.223 1.00 2.20 O ATOM 2116 CB ILE B 68 -9.438 4.072 -4.121 1.00 2.47 C ATOM 2117 CG1 ILE B 68 -9.986 3.361 -2.880 1.00 2.83 C ATOM 2118 CG2 ILE B 68 -8.111 3.450 -4.540 1.00 2.89 C ATOM 2119 CD1 ILE B 68 -10.277 1.892 -3.094 1.00 3.35 C ATOM 0 H ILE B 68 -11.314 5.606 -3.425 1.00 2.65 H new ATOM 0 HA ILE B 68 -8.457 5.702 -3.114 1.00 2.40 H new ATOM 0 HB ILE B 68 -10.150 3.953 -4.938 1.00 2.47 H new ATOM 0 HG12 ILE B 68 -9.267 3.464 -2.067 1.00 2.83 H new ATOM 0 HG13 ILE B 68 -10.901 3.860 -2.562 1.00 2.83 H new ATOM 0 HG21 ILE B 68 -8.253 2.387 -4.735 1.00 2.89 H new ATOM 0 HG22 ILE B 68 -7.749 3.940 -5.444 1.00 2.89 H new ATOM 0 HG23 ILE B 68 -7.381 3.578 -3.741 1.00 2.89 H new ATOM 0 HD11 ILE B 68 -10.661 1.459 -2.171 1.00 3.35 H new ATOM 0 HD12 ILE B 68 -11.019 1.779 -3.884 1.00 3.35 H new ATOM 0 HD13 ILE B 68 -9.360 1.378 -3.382 1.00 3.35 H new ATOM 2131 N LEU B 69 -8.134 7.392 -4.985 1.00 2.12 N ATOM 2132 CA LEU B 69 -7.730 8.222 -6.119 1.00 2.19 C ATOM 2133 C LEU B 69 -6.707 7.497 -6.987 1.00 1.98 C ATOM 2134 O LEU B 69 -6.536 7.802 -8.167 1.00 2.19 O ATOM 2135 CB LEU B 69 -7.132 9.535 -5.612 1.00 2.62 C ATOM 2136 CG LEU B 69 -8.007 10.310 -4.626 1.00 3.02 C ATOM 2137 CD1 LEU B 69 -7.263 11.523 -4.095 1.00 3.55 C ATOM 2138 CD2 LEU B 69 -9.310 10.731 -5.284 1.00 3.46 C ATOM 0 H LEU B 69 -7.781 7.717 -4.085 1.00 2.12 H new ATOM 0 HA LEU B 69 -8.613 8.429 -6.724 1.00 2.19 H new ATOM 0 HB2 LEU B 69 -6.176 9.320 -5.134 1.00 2.62 H new ATOM 0 HB3 LEU B 69 -6.923 10.175 -6.469 1.00 2.62 H new ATOM 0 HG LEU B 69 -8.242 9.655 -3.787 1.00 3.02 H new ATOM 0 HD11 LEU B 69 -7.900 12.063 -3.395 1.00 3.55 H new ATOM 0 HD12 LEU B 69 -6.356 11.199 -3.584 1.00 3.55 H new ATOM 0 HD13 LEU B 69 -6.998 12.179 -4.924 1.00 3.55 H new ATOM 0 HD21 LEU B 69 -9.919 11.281 -4.566 1.00 3.46 H new ATOM 0 HD22 LEU B 69 -9.095 11.368 -6.142 1.00 3.46 H new ATOM 0 HD23 LEU B 69 -9.852 9.846 -5.617 1.00 3.46 H new ATOM 2150 N ASN B 70 -6.041 6.529 -6.386 1.00 1.72 N ATOM 2151 CA ASN B 70 -4.984 5.780 -7.049 1.00 1.60 C ATOM 2152 C ASN B 70 -5.524 4.520 -7.716 1.00 1.69 C ATOM 2153 O ASN B 70 -4.774 3.577 -7.967 1.00 1.92 O ATOM 2154 CB ASN B 70 -3.876 5.408 -6.057 1.00 1.73 C ATOM 2155 CG ASN B 70 -4.402 4.735 -4.802 1.00 1.84 C ATOM 2156 OD1 ASN B 70 -5.421 5.134 -4.238 1.00 2.22 O ATOM 2157 ND2 ASN B 70 -3.727 3.689 -4.372 1.00 2.27 N ATOM 0 H ASN B 70 -6.216 6.238 -5.424 1.00 1.72 H new ATOM 0 HA ASN B 70 -4.568 6.425 -7.823 1.00 1.60 H new ATOM 0 HB2 ASN B 70 -3.165 4.743 -6.548 1.00 1.73 H new ATOM 0 HB3 ASN B 70 -3.329 6.309 -5.777 1.00 1.73 H new ATOM 0 HD21 ASN B 70 -4.045 3.181 -3.546 1.00 2.27 H new ATOM 0 HD22 ASN B 70 -2.887 3.387 -4.865 1.00 2.27 H new ATOM 2164 N SER B 71 -6.826 4.494 -7.982 1.00 1.83 N ATOM 2165 CA SER B 71 -7.431 3.379 -8.704 1.00 2.33 C ATOM 2166 C SER B 71 -6.894 3.307 -10.133 1.00 2.45 C ATOM 2167 O SER B 71 -6.921 2.253 -10.769 1.00 2.76 O ATOM 2168 CB SER B 71 -8.949 3.521 -8.726 1.00 2.86 C ATOM 2169 OG SER B 71 -9.484 3.504 -7.414 1.00 3.23 O ATOM 0 H SER B 71 -7.480 5.228 -7.710 1.00 1.83 H new ATOM 0 HA SER B 71 -7.169 2.456 -8.186 1.00 2.33 H new ATOM 0 HB2 SER B 71 -9.223 4.453 -9.221 1.00 2.86 H new ATOM 0 HB3 SER B 71 -9.384 2.710 -9.310 1.00 2.86 H new ATOM 0 HG SER B 71 -9.369 4.386 -7.003 1.00 3.23 H new ATOM 2175 N ALA B 72 -6.413 4.442 -10.627 1.00 2.81 N ATOM 2176 CA ALA B 72 -5.819 4.519 -11.950 1.00 3.22 C ATOM 2177 C ALA B 72 -4.788 5.638 -11.993 1.00 3.71 C ATOM 2178 O ALA B 72 -3.584 5.348 -11.851 1.00 4.30 O ATOM 2179 CB ALA B 72 -6.893 4.738 -13.005 1.00 3.33 C ATOM 2180 OXT ALA B 72 -5.190 6.809 -12.144 1.00 3.98 O ATOM 0 H ALA B 72 -6.425 5.328 -10.123 1.00 2.81 H new ATOM 0 HA ALA B 72 -5.319 3.575 -12.166 1.00 3.22 H new ATOM 0 HB1 ALA B 72 -6.430 4.793 -13.990 1.00 3.33 H new ATOM 0 HB2 ALA B 72 -7.600 3.908 -12.982 1.00 3.33 H new ATOM 0 HB3 ALA B 72 -7.420 5.670 -12.799 1.00 3.33 H new TER 2186 ALA B 72