USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 LYS NZ :NH3+ -172:sc= 1.16 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.228 K(o=1.4,f=-7.1!) USER MOD Set 2.1: A 27 LYS NZ :NH3+ 143:sc= 0.709 (180deg=-0.0133) USER MOD Set 2.2: A 38 SER OG : rot -100:sc= 0.995 USER MOD Set 2.3: A 40 TYR OH : rot 180:sc= 0.157 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0937 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 74:sc= 0.639 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 47:sc= 0.806 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -27:sc= 0.282 USER MOD Single : A 26 HIS : no HD1:sc= -0.0523 X(o=-0.052,f=-0.039) USER MOD Single : A 30 TYR OH : rot -94:sc= 1.24 USER MOD Single : A 32 SER OG : rot -24:sc= 0.588! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -140:sc= -0.744 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -96:sc= 0.768 USER MOD Single : A 58 LYS NZ :NH3+ -148:sc= -0.178 (180deg=-1.06) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 61 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.4) USER MOD Single : A 63 SER OG : rot -44:sc= 0.0408 USER MOD Single : A 70 ASN : amide:sc= -0.703 K(o=-0.7,f=-3.1!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.054) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 173:sc= 0.00763 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 56:sc= 0.468 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -10.286 -1.755 -2.736 1.00 0.00 N ATOM 15 CA ASP A 2 -10.219 -3.230 -2.538 1.00 0.00 C ATOM 16 C ASP A 2 -8.774 -3.667 -2.284 1.00 0.00 C ATOM 17 O ASP A 2 -7.834 -3.107 -2.816 1.00 0.00 O ATOM 18 CB ASP A 2 -10.756 -3.930 -3.786 1.00 0.00 C ATOM 19 CG ASP A 2 -10.856 -5.437 -3.531 1.00 0.00 C ATOM 20 OD1 ASP A 2 -10.405 -5.874 -2.486 1.00 0.00 O ATOM 21 OD2 ASP A 2 -11.385 -6.126 -4.386 1.00 0.00 O ATOM 0 HA ASP A 2 -10.824 -3.502 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.736 -3.530 -4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.098 -3.738 -4.634 1.00 0.00 H new ATOM 26 N LEU A 3 -8.600 -4.666 -1.462 1.00 0.00 N ATOM 27 CA LEU A 3 -7.234 -5.158 -1.145 1.00 0.00 C ATOM 28 C LEU A 3 -6.640 -5.874 -2.356 1.00 0.00 C ATOM 29 O LEU A 3 -7.187 -6.837 -2.857 1.00 0.00 O ATOM 30 CB LEU A 3 -7.334 -6.121 0.042 1.00 0.00 C ATOM 31 CG LEU A 3 -5.965 -6.740 0.355 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.928 -5.634 0.597 1.00 0.00 C ATOM 33 CD2 LEU A 3 -6.094 -7.609 1.610 1.00 0.00 C ATOM 0 H LEU A 3 -9.356 -5.166 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.583 -4.321 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.707 -5.590 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.052 -6.909 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.637 -7.347 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.960 -6.085 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.844 -5.013 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.243 -5.018 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.128 -8.056 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.421 -6.993 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.825 -8.398 1.433 1.00 0.00 H new ATOM 45 N VAL A 4 -5.512 -5.402 -2.824 1.00 0.00 N ATOM 46 CA VAL A 4 -4.851 -6.039 -4.008 1.00 0.00 C ATOM 47 C VAL A 4 -3.345 -6.134 -3.775 1.00 0.00 C ATOM 48 O VAL A 4 -2.793 -5.487 -2.906 1.00 0.00 O ATOM 49 CB VAL A 4 -5.108 -5.201 -5.261 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.602 -5.213 -5.587 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.647 -3.760 -5.018 1.00 0.00 C ATOM 0 H VAL A 4 -5.017 -4.599 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.265 -7.038 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.552 -5.622 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.784 -4.615 -6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.928 -6.238 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.160 -4.794 -4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.831 -3.164 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.201 -3.337 -4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.581 -3.753 -4.790 1.00 0.00 H new ATOM 61 N LYS A 5 -2.682 -6.945 -4.549 1.00 0.00 N ATOM 62 CA LYS A 5 -1.212 -7.108 -4.395 1.00 0.00 C ATOM 63 C LYS A 5 -0.479 -5.899 -4.987 1.00 0.00 C ATOM 64 O LYS A 5 -0.993 -5.195 -5.834 1.00 0.00 O ATOM 65 CB LYS A 5 -0.767 -8.377 -5.120 1.00 0.00 C ATOM 66 CG LYS A 5 -1.344 -9.600 -4.404 1.00 0.00 C ATOM 67 CD LYS A 5 -0.813 -10.888 -5.051 1.00 0.00 C ATOM 68 CE LYS A 5 -1.490 -11.125 -6.407 1.00 0.00 C ATOM 69 NZ LYS A 5 -1.205 -12.514 -6.867 1.00 0.00 N ATOM 0 H LYS A 5 -3.101 -7.508 -5.289 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.971 -7.182 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.106 -8.355 -6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.321 -8.434 -5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.073 -9.575 -3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.433 -9.581 -4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.267 -10.817 -5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.998 -11.736 -4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.566 -10.972 -6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.124 -10.405 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.663 -12.676 -7.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.178 -12.643 -6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.575 -13.193 -6.171 1.00 0.00 H new ATOM 83 N ILE A 6 0.725 -5.660 -4.537 1.00 0.00 N ATOM 84 CA ILE A 6 1.516 -4.502 -5.047 1.00 0.00 C ATOM 85 C ILE A 6 1.785 -4.679 -6.546 1.00 0.00 C ATOM 86 O ILE A 6 1.684 -3.748 -7.322 1.00 0.00 O ATOM 87 CB ILE A 6 2.857 -4.451 -4.306 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.615 -4.099 -2.833 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.762 -3.392 -4.949 1.00 0.00 C ATOM 90 CD1 ILE A 6 3.915 -4.269 -2.037 1.00 0.00 C ATOM 0 H ILE A 6 1.198 -6.224 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 6 0.957 -3.580 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 6 3.343 -5.424 -4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.258 -3.073 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.838 -4.742 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.715 -3.358 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.936 -3.648 -5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.279 -2.417 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.737 -4.018 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.253 -5.303 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.680 -3.608 -2.444 1.00 0.00 H new ATOM 102 N ARG A 7 2.143 -5.862 -6.950 1.00 0.00 N ATOM 103 CA ARG A 7 2.443 -6.114 -8.387 1.00 0.00 C ATOM 104 C ARG A 7 1.195 -5.873 -9.243 1.00 0.00 C ATOM 105 O ARG A 7 1.287 -5.592 -10.422 1.00 0.00 O ATOM 106 CB ARG A 7 2.909 -7.562 -8.551 1.00 0.00 C ATOM 107 CG ARG A 7 4.318 -7.716 -7.968 1.00 0.00 C ATOM 108 CD ARG A 7 4.771 -9.174 -8.103 1.00 0.00 C ATOM 109 NE ARG A 7 6.158 -9.312 -7.571 1.00 0.00 N ATOM 110 CZ ARG A 7 6.869 -10.375 -7.842 1.00 0.00 C ATOM 111 NH1 ARG A 7 6.378 -11.326 -8.588 1.00 0.00 N ATOM 112 NH2 ARG A 7 8.081 -10.483 -7.366 1.00 0.00 N ATOM 0 H ARG A 7 2.242 -6.675 -6.342 1.00 0.00 H new ATOM 0 HA ARG A 7 3.226 -5.431 -8.716 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.219 -8.237 -8.044 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.908 -7.838 -9.605 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.013 -7.058 -8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.324 -7.418 -6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.093 -9.829 -7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.738 -9.482 -9.148 1.00 0.00 H new ATOM 0 HE ARG A 7 6.554 -8.572 -6.992 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.433 -11.243 -8.964 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.939 -12.153 -8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.469 -9.740 -6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.639 -11.311 -7.575 1.00 0.00 H new ATOM 126 N ASP A 8 0.033 -5.992 -8.666 1.00 0.00 N ATOM 127 CA ASP A 8 -1.219 -5.780 -9.447 1.00 0.00 C ATOM 128 C ASP A 8 -1.524 -4.280 -9.530 1.00 0.00 C ATOM 129 O ASP A 8 -2.507 -3.869 -10.114 1.00 0.00 O ATOM 130 CB ASP A 8 -2.369 -6.506 -8.746 1.00 0.00 C ATOM 131 CG ASP A 8 -3.613 -6.489 -9.637 1.00 0.00 C ATOM 132 OD1 ASP A 8 -3.464 -6.285 -10.830 1.00 0.00 O ATOM 133 OD2 ASP A 8 -4.696 -6.684 -9.108 1.00 0.00 O ATOM 0 H ASP A 8 -0.105 -6.228 -7.683 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.099 -6.174 -10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.082 -7.534 -8.526 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.587 -6.025 -7.792 1.00 0.00 H new ATOM 138 N VAL A 9 -0.695 -3.464 -8.937 1.00 0.00 N ATOM 139 CA VAL A 9 -0.939 -1.992 -8.962 1.00 0.00 C ATOM 140 C VAL A 9 -0.822 -1.453 -10.388 1.00 0.00 C ATOM 141 O VAL A 9 0.126 -1.727 -11.097 1.00 0.00 O ATOM 142 CB VAL A 9 0.088 -1.301 -8.058 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.015 0.219 -8.215 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.192 -1.680 -6.603 1.00 0.00 C ATOM 0 H VAL A 9 0.144 -3.754 -8.434 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.947 -1.789 -8.601 1.00 0.00 H new ATOM 0 HB VAL A 9 1.091 -1.621 -8.340 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.718 0.702 -7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.180 0.492 -9.252 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.016 0.547 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.535 -1.192 -5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.197 -1.357 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.114 -2.761 -6.487 1.00 0.00 H new ATOM 154 N SER A 10 -1.787 -0.677 -10.802 1.00 0.00 N ATOM 155 CA SER A 10 -1.755 -0.099 -12.173 1.00 0.00 C ATOM 156 C SER A 10 -2.686 1.113 -12.239 1.00 0.00 C ATOM 157 O SER A 10 -3.462 1.371 -11.341 1.00 0.00 O ATOM 158 CB SER A 10 -2.211 -1.145 -13.190 1.00 0.00 C ATOM 159 OG SER A 10 -3.570 -1.480 -12.945 1.00 0.00 O ATOM 0 H SER A 10 -2.601 -0.418 -10.244 1.00 0.00 H new ATOM 0 HA SER A 10 -0.736 0.209 -12.407 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.097 -0.758 -14.202 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.587 -2.035 -13.117 1.00 0.00 H new ATOM 0 HG SER A 10 -3.865 -2.149 -13.597 1.00 0.00 H new ATOM 165 N LEU A 11 -2.608 1.857 -13.305 1.00 0.00 N ATOM 166 CA LEU A 11 -3.472 3.061 -13.463 1.00 0.00 C ATOM 167 C LEU A 11 -4.943 2.643 -13.497 1.00 0.00 C ATOM 168 O LEU A 11 -5.811 3.358 -13.034 1.00 0.00 O ATOM 169 CB LEU A 11 -3.106 3.761 -14.772 1.00 0.00 C ATOM 170 CG LEU A 11 -1.681 4.327 -14.679 1.00 0.00 C ATOM 171 CD1 LEU A 11 -1.253 4.855 -16.053 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.621 5.470 -13.643 1.00 0.00 C ATOM 0 H LEU A 11 -1.974 1.681 -14.085 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.317 3.739 -12.623 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.174 3.058 -15.602 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.814 4.565 -14.975 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.005 3.533 -14.362 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.242 5.257 -15.989 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.275 4.042 -16.778 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.937 5.642 -16.370 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.604 5.860 -13.590 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.300 6.268 -13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.916 5.090 -12.665 1.00 0.00 H new ATOM 184 N SER A 12 -5.233 1.500 -14.050 1.00 0.00 N ATOM 185 CA SER A 12 -6.648 1.046 -14.121 1.00 0.00 C ATOM 186 C SER A 12 -7.214 0.935 -12.705 1.00 0.00 C ATOM 187 O SER A 12 -8.413 0.913 -12.508 1.00 0.00 O ATOM 188 CB SER A 12 -6.703 -0.324 -14.794 1.00 0.00 C ATOM 189 OG SER A 12 -5.891 -0.307 -15.960 1.00 0.00 O ATOM 0 H SER A 12 -4.551 0.860 -14.456 1.00 0.00 H new ATOM 0 HA SER A 12 -7.235 1.762 -14.696 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.355 -1.094 -14.106 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.731 -0.572 -15.057 1.00 0.00 H new ATOM 0 HG SER A 12 -5.923 -1.185 -16.393 1.00 0.00 H new ATOM 195 N THR A 13 -6.353 0.867 -11.719 1.00 0.00 N ATOM 196 CA THR A 13 -6.814 0.757 -10.302 1.00 0.00 C ATOM 197 C THR A 13 -6.473 2.059 -9.563 1.00 0.00 C ATOM 198 O THR A 13 -5.485 2.134 -8.857 1.00 0.00 O ATOM 199 CB THR A 13 -6.096 -0.421 -9.641 1.00 0.00 C ATOM 200 OG1 THR A 13 -4.759 -0.056 -9.336 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.101 -1.611 -10.602 1.00 0.00 C ATOM 0 H THR A 13 -5.340 0.883 -11.838 1.00 0.00 H new ATOM 0 HA THR A 13 -7.891 0.594 -10.264 1.00 0.00 H new ATOM 0 HB THR A 13 -6.608 -0.693 -8.718 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.753 0.548 -8.564 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.591 -2.455 -10.138 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.130 -1.890 -10.831 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.586 -1.337 -11.523 1.00 0.00 H new ATOM 209 N PRO A 14 -7.275 3.090 -9.732 1.00 0.00 N ATOM 210 CA PRO A 14 -7.032 4.409 -9.074 1.00 0.00 C ATOM 211 C PRO A 14 -7.231 4.332 -7.561 1.00 0.00 C ATOM 212 O PRO A 14 -6.702 5.132 -6.817 1.00 0.00 O ATOM 213 CB PRO A 14 -8.067 5.345 -9.722 1.00 0.00 C ATOM 214 CG PRO A 14 -9.161 4.445 -10.195 1.00 0.00 C ATOM 215 CD PRO A 14 -8.501 3.113 -10.555 1.00 0.00 C ATOM 0 HA PRO A 14 -6.007 4.754 -9.210 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.440 6.077 -9.006 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.630 5.904 -10.550 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.914 4.308 -9.419 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.669 4.873 -11.059 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.152 2.270 -10.325 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.269 3.057 -11.619 1.00 0.00 H new ATOM 223 N TYR A 15 -7.995 3.370 -7.108 1.00 0.00 N ATOM 224 CA TYR A 15 -8.248 3.219 -5.644 1.00 0.00 C ATOM 225 C TYR A 15 -7.899 1.798 -5.215 1.00 0.00 C ATOM 226 O TYR A 15 -8.579 0.850 -5.560 1.00 0.00 O ATOM 227 CB TYR A 15 -9.725 3.499 -5.358 1.00 0.00 C ATOM 228 CG TYR A 15 -10.045 4.925 -5.757 1.00 0.00 C ATOM 229 CD1 TYR A 15 -9.440 5.989 -5.076 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.940 5.184 -6.804 1.00 0.00 C ATOM 231 CE1 TYR A 15 -9.727 7.309 -5.441 1.00 0.00 C ATOM 232 CE2 TYR A 15 -11.227 6.506 -7.168 1.00 0.00 C ATOM 233 CZ TYR A 15 -10.620 7.567 -6.486 1.00 0.00 C ATOM 234 OH TYR A 15 -10.904 8.871 -6.841 1.00 0.00 O ATOM 0 H TYR A 15 -8.458 2.677 -7.696 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.631 3.924 -5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.354 2.803 -5.913 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.939 3.348 -4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.751 5.790 -4.268 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.408 4.365 -7.330 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -9.259 8.128 -4.916 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.917 6.707 -7.975 1.00 0.00 H new ATOM 0 HH TYR A 15 -11.541 8.876 -7.585 1.00 0.00 H new ATOM 244 N VAL A 16 -6.840 1.644 -4.461 1.00 0.00 N ATOM 245 CA VAL A 16 -6.431 0.281 -3.996 1.00 0.00 C ATOM 246 C VAL A 16 -5.998 0.327 -2.536 1.00 0.00 C ATOM 247 O VAL A 16 -5.706 1.374 -1.992 1.00 0.00 O ATOM 248 CB VAL A 16 -5.268 -0.230 -4.845 1.00 0.00 C ATOM 249 CG1 VAL A 16 -5.747 -0.473 -6.275 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.135 0.800 -4.854 1.00 0.00 C ATOM 0 H VAL A 16 -6.238 2.405 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.285 -0.389 -4.098 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.899 -1.163 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.917 -0.837 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.545 -1.215 -6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.121 0.460 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.310 0.428 -5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.499 1.738 -5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.788 0.968 -3.834 1.00 0.00 H new ATOM 260 N SER A 17 -5.952 -0.817 -1.900 1.00 0.00 N ATOM 261 CA SER A 17 -5.528 -0.888 -0.470 1.00 0.00 C ATOM 262 C SER A 17 -4.383 -1.889 -0.342 1.00 0.00 C ATOM 263 O SER A 17 -4.425 -2.976 -0.898 1.00 0.00 O ATOM 264 CB SER A 17 -6.706 -1.337 0.392 1.00 0.00 C ATOM 265 OG SER A 17 -6.257 -1.543 1.726 1.00 0.00 O ATOM 0 H SER A 17 -6.194 -1.716 -2.318 1.00 0.00 H new ATOM 0 HA SER A 17 -5.196 0.094 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.494 -0.584 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.134 -2.257 -0.007 1.00 0.00 H new ATOM 0 HG SER A 17 -5.703 -0.784 2.006 1.00 0.00 H new ATOM 271 N VAL A 18 -3.357 -1.526 0.386 1.00 0.00 N ATOM 272 CA VAL A 18 -2.188 -2.446 0.563 1.00 0.00 C ATOM 273 C VAL A 18 -1.682 -2.389 2.003 1.00 0.00 C ATOM 274 O VAL A 18 -1.969 -1.469 2.742 1.00 0.00 O ATOM 275 CB VAL A 18 -1.062 -2.036 -0.387 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.512 -2.249 -1.831 1.00 0.00 C ATOM 277 CG2 VAL A 18 -0.716 -0.560 -0.174 1.00 0.00 C ATOM 0 H VAL A 18 -3.277 -0.630 0.867 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.506 -3.464 0.338 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.181 -2.645 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.710 -1.957 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.753 -3.301 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.395 -1.641 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.087 -0.273 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.596 0.052 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.392 -0.407 0.856 1.00 0.00 H new ATOM 287 N ILE A 19 -0.918 -3.376 2.401 1.00 0.00 N ATOM 288 CA ILE A 19 -0.367 -3.404 3.790 1.00 0.00 C ATOM 289 C ILE A 19 1.089 -3.856 3.755 1.00 0.00 C ATOM 290 O ILE A 19 1.456 -4.748 3.018 1.00 0.00 O ATOM 291 CB ILE A 19 -1.186 -4.371 4.648 1.00 0.00 C ATOM 292 CG1 ILE A 19 -0.671 -4.325 6.090 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.051 -5.792 4.104 1.00 0.00 C ATOM 294 CD1 ILE A 19 -1.650 -5.062 7.005 1.00 0.00 C ATOM 0 H ILE A 19 -0.651 -4.169 1.818 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.423 -2.404 4.221 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.235 -4.078 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.316 -4.785 6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.561 -3.291 6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.637 -6.475 4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.417 -5.825 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.003 -6.092 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.284 -5.029 8.031 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.628 -4.583 6.953 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.737 -6.100 6.684 1.00 0.00 H new ATOM 306 N GLY A 20 1.925 -3.239 4.547 1.00 0.00 N ATOM 307 CA GLY A 20 3.360 -3.634 4.555 1.00 0.00 C ATOM 308 C GLY A 20 4.134 -2.771 5.551 1.00 0.00 C ATOM 309 O GLY A 20 3.563 -2.133 6.415 1.00 0.00 O ATOM 0 H GLY A 20 1.676 -2.483 5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.455 -4.686 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.783 -3.520 3.557 1.00 0.00 H new ATOM 313 N LYS A 21 5.438 -2.754 5.430 1.00 0.00 N ATOM 314 CA LYS A 21 6.286 -1.944 6.357 1.00 0.00 C ATOM 315 C LYS A 21 6.809 -0.714 5.624 1.00 0.00 C ATOM 316 O LYS A 21 7.101 -0.760 4.443 1.00 0.00 O ATOM 317 CB LYS A 21 7.468 -2.791 6.822 1.00 0.00 C ATOM 318 CG LYS A 21 6.972 -3.866 7.790 1.00 0.00 C ATOM 319 CD LYS A 21 8.122 -4.814 8.154 1.00 0.00 C ATOM 320 CE LYS A 21 9.061 -4.144 9.163 1.00 0.00 C ATOM 321 NZ LYS A 21 10.003 -5.158 9.714 1.00 0.00 N ATOM 0 H LYS A 21 5.956 -3.272 4.721 1.00 0.00 H new ATOM 0 HA LYS A 21 5.693 -1.631 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.957 -3.255 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.211 -2.161 7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.575 -3.400 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.156 -4.428 7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.723 -5.737 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.676 -5.087 7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.617 -3.340 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.483 -3.693 9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.640 -4.704 10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.464 -5.910 10.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.563 -5.569 8.940 1.00 0.00 H new ATOM 335 N ILE A 22 6.919 0.388 6.323 1.00 0.00 N ATOM 336 CA ILE A 22 7.411 1.648 5.685 1.00 0.00 C ATOM 337 C ILE A 22 8.919 1.797 5.891 1.00 0.00 C ATOM 338 O ILE A 22 9.423 1.659 6.988 1.00 0.00 O ATOM 339 CB ILE A 22 6.688 2.839 6.320 1.00 0.00 C ATOM 340 CG1 ILE A 22 5.181 2.546 6.382 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.937 4.104 5.487 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.678 2.088 5.007 1.00 0.00 C ATOM 0 H ILE A 22 6.688 0.470 7.313 1.00 0.00 H new ATOM 0 HA ILE A 22 7.208 1.612 4.615 1.00 0.00 H new ATOM 0 HB ILE A 22 7.069 2.998 7.329 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.983 1.775 7.126 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.641 3.439 6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.420 4.948 5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.007 4.311 5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.561 3.953 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.609 1.883 5.061 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.860 2.873 4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.207 1.183 4.709 1.00 0.00 H new ATOM 354 N THR A 23 9.646 2.071 4.832 1.00 0.00 N ATOM 355 CA THR A 23 11.129 2.232 4.948 1.00 0.00 C ATOM 356 C THR A 23 11.608 3.413 4.098 1.00 0.00 C ATOM 357 O THR A 23 10.972 3.811 3.140 1.00 0.00 O ATOM 358 CB THR A 23 11.815 0.957 4.457 1.00 0.00 C ATOM 359 OG1 THR A 23 11.572 0.795 3.066 1.00 0.00 O ATOM 360 CG2 THR A 23 11.263 -0.249 5.216 1.00 0.00 C ATOM 0 H THR A 23 9.273 2.190 3.890 1.00 0.00 H new ATOM 0 HA THR A 23 11.381 2.419 5.992 1.00 0.00 H new ATOM 0 HB THR A 23 12.888 1.033 4.633 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.729 1.234 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.754 -1.156 4.864 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.451 -0.125 6.282 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.190 -0.327 5.044 1.00 0.00 H new ATOM 368 N GLY A 24 12.746 3.959 4.443 1.00 0.00 N ATOM 369 CA GLY A 24 13.318 5.103 3.671 1.00 0.00 C ATOM 370 C GLY A 24 12.416 6.333 3.788 1.00 0.00 C ATOM 371 O GLY A 24 11.834 6.780 2.821 1.00 0.00 O ATOM 0 H GLY A 24 13.310 3.657 5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.315 5.339 4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.428 4.824 2.623 1.00 0.00 H new ATOM 375 N ILE A 25 12.297 6.883 4.964 1.00 0.00 N ATOM 376 CA ILE A 25 11.431 8.085 5.141 1.00 0.00 C ATOM 377 C ILE A 25 12.172 9.342 4.687 1.00 0.00 C ATOM 378 O ILE A 25 13.280 9.612 5.110 1.00 0.00 O ATOM 379 CB ILE A 25 11.055 8.219 6.617 1.00 0.00 C ATOM 380 CG1 ILE A 25 10.557 6.869 7.143 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.955 9.271 6.776 1.00 0.00 C ATOM 382 CD1 ILE A 25 9.464 6.313 6.224 1.00 0.00 C ATOM 0 H ILE A 25 12.761 6.554 5.810 1.00 0.00 H new ATOM 0 HA ILE A 25 10.531 7.970 4.537 1.00 0.00 H new ATOM 0 HB ILE A 25 11.932 8.528 7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.387 6.165 7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.167 6.986 8.154 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.690 9.364 7.829 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.314 10.232 6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.077 8.968 6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.119 5.353 6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.628 7.012 6.188 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.867 6.178 5.220 1.00 0.00 H new ATOM 394 N HIS A 26 11.554 10.118 3.831 1.00 0.00 N ATOM 395 CA HIS A 26 12.188 11.377 3.337 1.00 0.00 C ATOM 396 C HIS A 26 11.160 12.503 3.377 1.00 0.00 C ATOM 397 O HIS A 26 9.999 12.304 3.078 1.00 0.00 O ATOM 398 CB HIS A 26 12.668 11.179 1.899 1.00 0.00 C ATOM 399 CG HIS A 26 13.744 10.130 1.869 1.00 0.00 C ATOM 400 ND1 HIS A 26 15.050 10.403 2.246 1.00 0.00 N ATOM 401 CD2 HIS A 26 13.725 8.807 1.510 1.00 0.00 C ATOM 402 CE1 HIS A 26 15.757 9.268 2.105 1.00 0.00 C ATOM 403 NE2 HIS A 26 14.998 8.263 1.659 1.00 0.00 N ATOM 0 H HIS A 26 10.627 9.929 3.450 1.00 0.00 H new ATOM 0 HA HIS A 26 13.039 11.631 3.970 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.834 10.878 1.264 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.050 12.118 1.499 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.855 8.269 1.164 1.00 0.00 H new ATOM 0 HE1 HIS A 26 16.811 9.179 2.326 1.00 0.00 H new ATOM 0 HE2 HIS A 26 15.288 7.304 1.469 1.00 0.00 H new ATOM 411 N LYS A 27 11.579 13.683 3.752 1.00 0.00 N ATOM 412 CA LYS A 27 10.636 14.839 3.826 1.00 0.00 C ATOM 413 C LYS A 27 10.864 15.772 2.639 1.00 0.00 C ATOM 414 O LYS A 27 11.983 16.102 2.297 1.00 0.00 O ATOM 415 CB LYS A 27 10.875 15.601 5.129 1.00 0.00 C ATOM 416 CG LYS A 27 9.851 16.731 5.245 1.00 0.00 C ATOM 417 CD LYS A 27 10.026 17.449 6.583 1.00 0.00 C ATOM 418 CE LYS A 27 8.987 18.567 6.702 1.00 0.00 C ATOM 419 NZ LYS A 27 7.670 17.983 7.078 1.00 0.00 N ATOM 0 H LYS A 27 12.542 13.897 4.012 1.00 0.00 H new ATOM 0 HA LYS A 27 9.610 14.471 3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.788 14.926 5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.886 16.007 5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.978 17.436 4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.841 16.329 5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.911 16.742 7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.032 17.863 6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.302 19.293 7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.903 19.102 5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.179 18.626 7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.093 17.850 6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.818 17.064 7.543 1.00 0.00 H new ATOM 433 N LYS A 28 9.801 16.200 2.011 1.00 0.00 N ATOM 434 CA LYS A 28 9.920 17.118 0.840 1.00 0.00 C ATOM 435 C LYS A 28 8.814 18.169 0.895 1.00 0.00 C ATOM 436 O LYS A 28 7.834 18.018 1.597 1.00 0.00 O ATOM 437 CB LYS A 28 9.786 16.317 -0.452 1.00 0.00 C ATOM 438 CG LYS A 28 11.029 15.449 -0.648 1.00 0.00 C ATOM 439 CD LYS A 28 10.890 14.656 -1.947 1.00 0.00 C ATOM 440 CE LYS A 28 12.134 13.794 -2.159 1.00 0.00 C ATOM 441 NZ LYS A 28 11.980 13.002 -3.411 1.00 0.00 N ATOM 0 H LYS A 28 8.845 15.950 2.262 1.00 0.00 H new ATOM 0 HA LYS A 28 10.892 17.610 0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.895 15.690 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.664 16.992 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.921 16.074 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.149 14.769 0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.002 14.026 -1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.760 15.337 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.021 14.425 -2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.277 13.127 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.759 12.318 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.073 12.493 -3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.000 13.641 -4.231 1.00 0.00 H new ATOM 455 N GLU A 29 8.975 19.239 0.157 1.00 0.00 N ATOM 456 CA GLU A 29 7.948 20.328 0.142 1.00 0.00 C ATOM 457 C GLU A 29 7.515 20.608 -1.295 1.00 0.00 C ATOM 458 O GLU A 29 8.321 20.615 -2.206 1.00 0.00 O ATOM 459 CB GLU A 29 8.552 21.589 0.753 1.00 0.00 C ATOM 460 CG GLU A 29 8.756 21.363 2.250 1.00 0.00 C ATOM 461 CD GLU A 29 9.433 22.586 2.869 1.00 0.00 C ATOM 462 OE1 GLU A 29 9.729 23.511 2.132 1.00 0.00 O ATOM 463 OE2 GLU A 29 9.641 22.577 4.071 1.00 0.00 O ATOM 0 H GLU A 29 9.783 19.407 -0.443 1.00 0.00 H new ATOM 0 HA GLU A 29 7.077 20.020 0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.503 21.822 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.894 22.442 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.796 21.183 2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.367 20.475 2.413 1.00 0.00 H new ATOM 470 N TYR A 30 6.242 20.840 -1.506 1.00 0.00 N ATOM 471 CA TYR A 30 5.746 21.120 -2.886 1.00 0.00 C ATOM 472 C TYR A 30 4.685 22.220 -2.836 1.00 0.00 C ATOM 473 O TYR A 30 4.093 22.486 -1.807 1.00 0.00 O ATOM 474 CB TYR A 30 5.145 19.842 -3.483 1.00 0.00 C ATOM 475 CG TYR A 30 3.863 19.470 -2.762 1.00 0.00 C ATOM 476 CD1 TYR A 30 3.900 19.046 -1.427 1.00 0.00 C ATOM 477 CD2 TYR A 30 2.635 19.543 -3.437 1.00 0.00 C ATOM 478 CE1 TYR A 30 2.712 18.697 -0.769 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.450 19.193 -2.779 1.00 0.00 C ATOM 480 CZ TYR A 30 1.488 18.771 -1.447 1.00 0.00 C ATOM 481 OH TYR A 30 0.318 18.425 -0.801 1.00 0.00 O ATOM 0 H TYR A 30 5.526 20.847 -0.780 1.00 0.00 H new ATOM 0 HA TYR A 30 6.575 21.452 -3.511 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.943 19.989 -4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.863 19.025 -3.406 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.844 18.988 -0.905 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.604 19.870 -4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.740 18.371 0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.506 19.249 -3.301 1.00 0.00 H new ATOM 0 HH TYR A 30 0.107 17.486 -0.986 1.00 0.00 H new ATOM 491 N GLU A 31 4.457 22.872 -3.944 1.00 0.00 N ATOM 492 CA GLU A 31 3.451 23.972 -3.983 1.00 0.00 C ATOM 493 C GLU A 31 2.066 23.395 -4.270 1.00 0.00 C ATOM 494 O GLU A 31 1.794 22.917 -5.355 1.00 0.00 O ATOM 495 CB GLU A 31 3.839 24.955 -5.089 1.00 0.00 C ATOM 496 CG GLU A 31 2.880 26.145 -5.075 1.00 0.00 C ATOM 497 CD GLU A 31 3.308 27.163 -6.136 1.00 0.00 C ATOM 498 OE1 GLU A 31 4.432 27.069 -6.600 1.00 0.00 O ATOM 499 OE2 GLU A 31 2.504 28.021 -6.461 1.00 0.00 O ATOM 0 H GLU A 31 4.928 22.688 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 31 3.428 24.486 -3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.863 25.298 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.805 24.459 -6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.862 25.807 -5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.877 26.611 -4.090 1.00 0.00 H new ATOM 506 N SER A 32 1.187 23.438 -3.297 1.00 0.00 N ATOM 507 CA SER A 32 -0.196 22.896 -3.481 1.00 0.00 C ATOM 508 C SER A 32 -1.212 24.042 -3.443 1.00 0.00 C ATOM 509 O SER A 32 -1.332 24.753 -2.464 1.00 0.00 O ATOM 510 CB SER A 32 -0.489 21.901 -2.352 1.00 0.00 C ATOM 511 OG SER A 32 -1.139 22.574 -1.283 1.00 0.00 O ATOM 0 H SER A 32 1.372 23.830 -2.374 1.00 0.00 H new ATOM 0 HA SER A 32 -0.272 22.393 -4.445 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.118 21.091 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.439 21.450 -2.001 1.00 0.00 H new ATOM 0 HG SER A 32 -0.918 23.528 -1.315 1.00 0.00 H new ATOM 517 N ASP A 33 -1.944 24.217 -4.510 1.00 0.00 N ATOM 518 CA ASP A 33 -2.966 25.301 -4.571 1.00 0.00 C ATOM 519 C ASP A 33 -2.312 26.653 -4.265 1.00 0.00 C ATOM 520 O ASP A 33 -2.944 27.564 -3.763 1.00 0.00 O ATOM 521 CB ASP A 33 -4.086 25.016 -3.566 1.00 0.00 C ATOM 522 CG ASP A 33 -5.253 25.975 -3.817 1.00 0.00 C ATOM 523 OD1 ASP A 33 -5.088 26.880 -4.618 1.00 0.00 O ATOM 524 OD2 ASP A 33 -6.293 25.785 -3.207 1.00 0.00 O ATOM 0 H ASP A 33 -1.876 23.647 -5.353 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.392 25.336 -5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.422 23.984 -3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.715 25.136 -2.548 1.00 0.00 H new ATOM 529 N GLY A 34 -1.055 26.795 -4.589 1.00 0.00 N ATOM 530 CA GLY A 34 -0.354 28.088 -4.348 1.00 0.00 C ATOM 531 C GLY A 34 0.163 28.143 -2.911 1.00 0.00 C ATOM 532 O GLY A 34 0.676 29.154 -2.474 1.00 0.00 O ATOM 0 H GLY A 34 -0.481 26.066 -5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.476 28.197 -5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.035 28.920 -4.530 1.00 0.00 H new ATOM 536 N THR A 35 0.036 27.066 -2.173 1.00 0.00 N ATOM 537 CA THR A 35 0.524 27.047 -0.757 1.00 0.00 C ATOM 538 C THR A 35 1.495 25.884 -0.565 1.00 0.00 C ATOM 539 O THR A 35 1.212 24.753 -0.907 1.00 0.00 O ATOM 540 CB THR A 35 -0.664 26.897 0.191 1.00 0.00 C ATOM 541 OG1 THR A 35 -1.557 27.985 -0.008 1.00 0.00 O ATOM 542 CG2 THR A 35 -0.161 26.903 1.635 1.00 0.00 C ATOM 0 H THR A 35 -0.387 26.195 -2.492 1.00 0.00 H new ATOM 0 HA THR A 35 1.040 27.982 -0.538 1.00 0.00 H new ATOM 0 HB THR A 35 -1.182 25.959 -0.008 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.323 27.894 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.006 26.796 2.315 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.531 26.074 1.783 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.351 27.843 1.838 1.00 0.00 H new ATOM 550 N THR A 36 2.647 26.167 -0.024 1.00 0.00 N ATOM 551 CA THR A 36 3.664 25.102 0.193 1.00 0.00 C ATOM 552 C THR A 36 3.172 24.105 1.240 1.00 0.00 C ATOM 553 O THR A 36 2.736 24.477 2.313 1.00 0.00 O ATOM 554 CB THR A 36 4.965 25.747 0.670 1.00 0.00 C ATOM 555 OG1 THR A 36 5.344 26.767 -0.245 1.00 0.00 O ATOM 556 CG2 THR A 36 6.064 24.689 0.746 1.00 0.00 C ATOM 0 H THR A 36 2.929 27.099 0.280 1.00 0.00 H new ATOM 0 HA THR A 36 3.833 24.570 -0.743 1.00 0.00 H new ATOM 0 HB THR A 36 4.818 26.181 1.659 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.177 27.185 0.058 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.991 25.151 1.086 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.769 23.908 1.447 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.217 24.252 -0.241 1.00 0.00 H new ATOM 564 N LYS A 37 3.247 22.834 0.932 1.00 0.00 N ATOM 565 CA LYS A 37 2.796 21.784 1.894 1.00 0.00 C ATOM 566 C LYS A 37 3.859 20.698 2.001 1.00 0.00 C ATOM 567 O LYS A 37 4.515 20.346 1.040 1.00 0.00 O ATOM 568 CB LYS A 37 1.486 21.176 1.392 1.00 0.00 C ATOM 569 CG LYS A 37 0.386 22.247 1.369 1.00 0.00 C ATOM 570 CD LYS A 37 0.054 22.698 2.798 1.00 0.00 C ATOM 571 CE LYS A 37 -1.305 23.394 2.819 1.00 0.00 C ATOM 572 NZ LYS A 37 -1.645 23.751 4.225 1.00 0.00 N ATOM 0 H LYS A 37 3.605 22.477 0.046 1.00 0.00 H new ATOM 0 HA LYS A 37 2.640 22.228 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.626 20.765 0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.188 20.350 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.713 23.102 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.508 21.850 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.042 21.838 3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.825 23.376 3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.279 24.290 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.070 22.739 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.570 24.226 4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.685 22.887 4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.918 24.390 4.607 1.00 0.00 H new ATOM 586 N SER A 38 4.039 20.177 3.180 1.00 0.00 N ATOM 587 CA SER A 38 5.061 19.122 3.388 1.00 0.00 C ATOM 588 C SER A 38 4.537 17.777 2.890 1.00 0.00 C ATOM 589 O SER A 38 3.366 17.473 3.001 1.00 0.00 O ATOM 590 CB SER A 38 5.383 19.026 4.876 1.00 0.00 C ATOM 591 OG SER A 38 6.290 17.954 5.091 1.00 0.00 O ATOM 0 H SER A 38 3.516 20.441 4.015 1.00 0.00 H new ATOM 0 HA SER A 38 5.962 19.377 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.818 19.962 5.227 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.469 18.865 5.448 1.00 0.00 H new ATOM 0 HG SER A 38 5.799 17.170 5.414 1.00 0.00 H new ATOM 597 N VAL A 39 5.407 16.964 2.355 1.00 0.00 N ATOM 598 CA VAL A 39 4.987 15.624 1.856 1.00 0.00 C ATOM 599 C VAL A 39 6.055 14.592 2.219 1.00 0.00 C ATOM 600 O VAL A 39 7.238 14.841 2.104 1.00 0.00 O ATOM 601 CB VAL A 39 4.799 15.680 0.336 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.158 15.779 -0.366 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.079 14.411 -0.124 1.00 0.00 C ATOM 0 H VAL A 39 6.399 17.173 2.242 1.00 0.00 H new ATOM 0 HA VAL A 39 4.042 15.337 2.318 1.00 0.00 H new ATOM 0 HB VAL A 39 4.208 16.559 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.008 15.818 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.672 16.683 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.762 14.907 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.941 14.442 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.676 13.538 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.107 14.347 0.364 1.00 0.00 H new ATOM 613 N TYR A 40 5.636 13.436 2.662 1.00 0.00 N ATOM 614 CA TYR A 40 6.606 12.368 3.044 1.00 0.00 C ATOM 615 C TYR A 40 6.650 11.307 1.950 1.00 0.00 C ATOM 616 O TYR A 40 5.630 10.846 1.480 1.00 0.00 O ATOM 617 CB TYR A 40 6.153 11.730 4.356 1.00 0.00 C ATOM 618 CG TYR A 40 6.254 12.751 5.463 1.00 0.00 C ATOM 619 CD1 TYR A 40 5.173 13.599 5.735 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.430 12.853 6.212 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.271 14.550 6.757 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.527 13.802 7.235 1.00 0.00 C ATOM 623 CZ TYR A 40 6.448 14.651 7.508 1.00 0.00 C ATOM 624 OH TYR A 40 6.546 15.588 8.517 1.00 0.00 O ATOM 0 H TYR A 40 4.654 13.184 2.776 1.00 0.00 H new ATOM 0 HA TYR A 40 7.600 12.799 3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.127 11.373 4.266 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.773 10.863 4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.265 13.519 5.156 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.263 12.199 6.001 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.439 15.206 6.966 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.435 13.880 7.815 1.00 0.00 H new ATOM 0 HH TYR A 40 7.428 15.524 8.939 1.00 0.00 H new ATOM 634 N GLN A 41 7.833 10.918 1.546 1.00 0.00 N ATOM 635 CA GLN A 41 7.981 9.882 0.478 1.00 0.00 C ATOM 636 C GLN A 41 8.863 8.751 0.995 1.00 0.00 C ATOM 637 O GLN A 41 9.742 8.956 1.806 1.00 0.00 O ATOM 638 CB GLN A 41 8.632 10.516 -0.753 1.00 0.00 C ATOM 639 CG GLN A 41 7.648 11.490 -1.403 1.00 0.00 C ATOM 640 CD GLN A 41 8.313 12.173 -2.599 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.442 11.874 -2.934 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.654 13.083 -3.262 1.00 0.00 N ATOM 0 H GLN A 41 8.713 11.278 1.915 1.00 0.00 H new ATOM 0 HA GLN A 41 7.002 9.487 0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.544 11.040 -0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.919 9.742 -1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.754 10.957 -1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.328 12.237 -0.677 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.706 13.333 -2.980 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.086 13.544 -4.062 1.00 0.00 H new ATOM 651 N GLY A 42 8.630 7.552 0.535 1.00 0.00 N ATOM 652 CA GLY A 42 9.455 6.411 1.008 1.00 0.00 C ATOM 653 C GLY A 42 9.124 5.155 0.206 1.00 0.00 C ATOM 654 O GLY A 42 8.499 5.212 -0.836 1.00 0.00 O ATOM 0 H GLY A 42 7.907 7.316 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.513 6.650 0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.271 6.234 2.068 1.00 0.00 H new ATOM 658 N TYR A 43 9.549 4.019 0.694 1.00 0.00 N ATOM 659 CA TYR A 43 9.288 2.727 -0.007 1.00 0.00 C ATOM 660 C TYR A 43 8.556 1.780 0.934 1.00 0.00 C ATOM 661 O TYR A 43 8.822 1.740 2.120 1.00 0.00 O ATOM 662 CB TYR A 43 10.621 2.105 -0.416 1.00 0.00 C ATOM 663 CG TYR A 43 11.262 2.954 -1.485 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.024 4.074 -1.132 1.00 0.00 C ATOM 665 CD2 TYR A 43 11.090 2.620 -2.833 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.614 4.860 -2.128 1.00 0.00 C ATOM 667 CE2 TYR A 43 11.680 3.404 -3.829 1.00 0.00 C ATOM 668 CZ TYR A 43 12.443 4.525 -3.477 1.00 0.00 C ATOM 669 OH TYR A 43 13.025 5.299 -4.460 1.00 0.00 O ATOM 0 H TYR A 43 10.075 3.931 1.564 1.00 0.00 H new ATOM 0 HA TYR A 43 8.676 2.904 -0.891 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.281 2.030 0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.464 1.092 -0.786 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.156 4.331 -0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.501 1.756 -3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.201 5.725 -1.856 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.548 3.146 -4.869 1.00 0.00 H new ATOM 0 HH TYR A 43 12.808 4.927 -5.340 1.00 0.00 H new ATOM 679 N ILE A 44 7.638 1.010 0.409 1.00 0.00 N ATOM 680 CA ILE A 44 6.873 0.045 1.254 1.00 0.00 C ATOM 681 C ILE A 44 7.106 -1.363 0.725 1.00 0.00 C ATOM 682 O ILE A 44 7.243 -1.568 -0.466 1.00 0.00 O ATOM 683 CB ILE A 44 5.382 0.378 1.196 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.629 -0.541 2.159 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.853 0.176 -0.226 1.00 0.00 C ATOM 686 CD1 ILE A 44 3.188 -0.055 2.309 1.00 0.00 C ATOM 0 H ILE A 44 7.383 1.009 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 44 7.210 0.111 2.288 1.00 0.00 H new ATOM 0 HB ILE A 44 5.232 1.419 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.641 -1.565 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.123 -0.550 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.790 0.416 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.392 0.830 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.999 -0.862 -0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.652 -0.711 2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.186 0.962 2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.696 -0.069 1.336 1.00 0.00 H new ATOM 698 N GLU A 45 7.172 -2.328 1.612 1.00 0.00 N ATOM 699 CA GLU A 45 7.419 -3.745 1.186 1.00 0.00 C ATOM 700 C GLU A 45 6.405 -4.677 1.845 1.00 0.00 C ATOM 701 O GLU A 45 5.921 -4.426 2.931 1.00 0.00 O ATOM 702 CB GLU A 45 8.835 -4.158 1.600 1.00 0.00 C ATOM 703 CG GLU A 45 9.001 -4.005 3.116 1.00 0.00 C ATOM 704 CD GLU A 45 10.437 -4.361 3.510 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.015 -5.216 2.857 1.00 0.00 O ATOM 706 OE2 GLU A 45 10.934 -3.776 4.458 1.00 0.00 O ATOM 0 H GLU A 45 7.065 -2.195 2.618 1.00 0.00 H new ATOM 0 HA GLU A 45 7.314 -3.816 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.022 -5.191 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.569 -3.542 1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.773 -2.982 3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.298 -4.655 3.637 1.00 0.00 H new ATOM 713 N ASP A 46 6.082 -5.760 1.184 1.00 0.00 N ATOM 714 CA ASP A 46 5.098 -6.727 1.750 1.00 0.00 C ATOM 715 C ASP A 46 5.402 -8.133 1.218 1.00 0.00 C ATOM 716 O ASP A 46 6.452 -8.386 0.664 1.00 0.00 O ATOM 717 CB ASP A 46 3.685 -6.315 1.324 1.00 0.00 C ATOM 718 CG ASP A 46 2.651 -7.078 2.159 1.00 0.00 C ATOM 719 OD1 ASP A 46 3.005 -7.540 3.231 1.00 0.00 O ATOM 720 OD2 ASP A 46 1.522 -7.189 1.710 1.00 0.00 O ATOM 0 H ASP A 46 6.461 -6.015 0.272 1.00 0.00 H new ATOM 0 HA ASP A 46 5.167 -6.728 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.553 -5.241 1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.538 -6.525 0.265 1.00 0.00 H new ATOM 725 N ASP A 47 4.488 -9.050 1.395 1.00 0.00 N ATOM 726 CA ASP A 47 4.705 -10.444 0.915 1.00 0.00 C ATOM 727 C ASP A 47 4.662 -10.482 -0.615 1.00 0.00 C ATOM 728 O ASP A 47 4.986 -11.480 -1.228 1.00 0.00 O ATOM 729 CB ASP A 47 3.596 -11.333 1.478 1.00 0.00 C ATOM 730 CG ASP A 47 3.939 -12.803 1.237 1.00 0.00 C ATOM 731 OD1 ASP A 47 5.077 -13.080 0.903 1.00 0.00 O ATOM 732 OD2 ASP A 47 3.053 -13.629 1.391 1.00 0.00 O ATOM 0 H ASP A 47 3.592 -8.890 1.856 1.00 0.00 H new ATOM 0 HA ASP A 47 5.679 -10.801 1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.476 -11.148 2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.646 -11.089 1.003 1.00 0.00 H new ATOM 737 N THR A 48 4.260 -9.406 -1.235 1.00 0.00 N ATOM 738 CA THR A 48 4.191 -9.373 -2.725 1.00 0.00 C ATOM 739 C THR A 48 5.482 -8.774 -3.286 1.00 0.00 C ATOM 740 O THR A 48 6.301 -9.466 -3.859 1.00 0.00 O ATOM 741 CB THR A 48 3.003 -8.508 -3.146 1.00 0.00 C ATOM 742 OG1 THR A 48 3.123 -7.226 -2.548 1.00 0.00 O ATOM 743 CG2 THR A 48 1.703 -9.166 -2.685 1.00 0.00 C ATOM 0 H THR A 48 3.975 -8.543 -0.771 1.00 0.00 H new ATOM 0 HA THR A 48 4.069 -10.385 -3.111 1.00 0.00 H new ATOM 0 HB THR A 48 2.991 -8.406 -4.231 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.241 -6.920 -2.251 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.856 -8.549 -2.985 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.613 -10.152 -3.141 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.711 -9.267 -1.600 1.00 0.00 H new ATOM 751 N ALA A 49 5.672 -7.494 -3.118 1.00 0.00 N ATOM 752 CA ALA A 49 6.910 -6.846 -3.638 1.00 0.00 C ATOM 753 C ALA A 49 7.105 -5.496 -2.952 1.00 0.00 C ATOM 754 O ALA A 49 6.851 -5.346 -1.772 1.00 0.00 O ATOM 755 CB ALA A 49 6.783 -6.626 -5.147 1.00 0.00 C ATOM 0 H ALA A 49 5.022 -6.868 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 49 7.764 -7.491 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.690 -6.152 -5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.642 -7.586 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.927 -5.983 -5.350 1.00 0.00 H new ATOM 761 N ARG A 50 7.549 -4.506 -3.687 1.00 0.00 N ATOM 762 CA ARG A 50 7.754 -3.159 -3.081 1.00 0.00 C ATOM 763 C ARG A 50 7.381 -2.072 -4.087 1.00 0.00 C ATOM 764 O ARG A 50 7.473 -2.257 -5.284 1.00 0.00 O ATOM 765 CB ARG A 50 9.219 -2.996 -2.650 1.00 0.00 C ATOM 766 CG ARG A 50 10.145 -2.983 -3.875 1.00 0.00 C ATOM 767 CD ARG A 50 11.602 -2.892 -3.406 1.00 0.00 C ATOM 768 NE ARG A 50 12.514 -2.883 -4.592 1.00 0.00 N ATOM 769 CZ ARG A 50 12.836 -1.757 -5.178 1.00 0.00 C ATOM 770 NH1 ARG A 50 12.380 -0.619 -4.727 1.00 0.00 N ATOM 771 NH2 ARG A 50 13.627 -1.772 -6.218 1.00 0.00 N ATOM 0 H ARG A 50 7.777 -4.575 -4.679 1.00 0.00 H new ATOM 0 HA ARG A 50 7.114 -3.063 -2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.337 -2.069 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.500 -3.811 -1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.997 -3.886 -4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.904 -2.137 -4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.748 -1.987 -2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.839 -3.737 -2.759 1.00 0.00 H new ATOM 0 HE ARG A 50 12.889 -3.763 -4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.767 -0.602 -3.912 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.636 0.253 -5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.990 -2.658 -6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.881 -0.898 -6.678 1.00 0.00 H new ATOM 785 N ILE A 51 6.960 -0.934 -3.601 1.00 0.00 N ATOM 786 CA ILE A 51 6.580 0.178 -4.523 1.00 0.00 C ATOM 787 C ILE A 51 6.797 1.528 -3.838 1.00 0.00 C ATOM 788 O ILE A 51 6.893 1.621 -2.629 1.00 0.00 O ATOM 789 CB ILE A 51 5.111 0.035 -4.922 1.00 0.00 C ATOM 790 CG1 ILE A 51 4.761 1.107 -5.957 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.225 0.211 -3.688 1.00 0.00 C ATOM 792 CD1 ILE A 51 3.420 0.771 -6.610 1.00 0.00 C ATOM 0 H ILE A 51 6.863 -0.726 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 51 7.206 0.128 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 51 4.945 -0.954 -5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.709 2.085 -5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.542 1.164 -6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.178 0.109 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.475 -0.550 -2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.389 1.200 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.172 1.535 -7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.488 -0.199 -7.102 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.642 0.737 -5.847 1.00 0.00 H new ATOM 804 N ARG A 52 6.871 2.578 -4.611 1.00 0.00 N ATOM 805 CA ARG A 52 7.078 3.933 -4.030 1.00 0.00 C ATOM 806 C ARG A 52 5.785 4.412 -3.371 1.00 0.00 C ATOM 807 O ARG A 52 4.699 4.101 -3.818 1.00 0.00 O ATOM 808 CB ARG A 52 7.471 4.907 -5.145 1.00 0.00 C ATOM 809 CG ARG A 52 8.827 4.499 -5.723 1.00 0.00 C ATOM 810 CD ARG A 52 9.198 5.427 -6.885 1.00 0.00 C ATOM 811 NE ARG A 52 9.417 6.807 -6.364 1.00 0.00 N ATOM 812 CZ ARG A 52 9.663 7.796 -7.185 1.00 0.00 C ATOM 813 NH1 ARG A 52 9.725 7.589 -8.473 1.00 0.00 N ATOM 814 NH2 ARG A 52 9.848 8.998 -6.712 1.00 0.00 N ATOM 0 H ARG A 52 6.796 2.553 -5.628 1.00 0.00 H new ATOM 0 HA ARG A 52 7.870 3.890 -3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.714 4.904 -5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.521 5.923 -4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.592 4.548 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.789 3.466 -6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.099 5.066 -7.380 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.403 5.430 -7.631 1.00 0.00 H new ATOM 0 HE ARG A 52 9.375 6.981 -5.360 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.581 6.651 -8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.917 8.366 -9.106 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.801 9.163 -5.707 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.040 9.772 -7.348 1.00 0.00 H new ATOM 828 N ILE A 53 5.896 5.177 -2.312 1.00 0.00 N ATOM 829 CA ILE A 53 4.677 5.696 -1.616 1.00 0.00 C ATOM 830 C ILE A 53 4.860 7.171 -1.271 1.00 0.00 C ATOM 831 O ILE A 53 5.963 7.654 -1.111 1.00 0.00 O ATOM 832 CB ILE A 53 4.420 4.891 -0.334 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.648 4.942 0.592 1.00 0.00 C ATOM 834 CG2 ILE A 53 4.121 3.438 -0.698 1.00 0.00 C ATOM 835 CD1 ILE A 53 5.312 4.316 1.957 1.00 0.00 C ATOM 0 H ILE A 53 6.783 5.465 -1.898 1.00 0.00 H new ATOM 0 HA ILE A 53 3.820 5.589 -2.282 1.00 0.00 H new ATOM 0 HB ILE A 53 3.568 5.327 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.480 4.408 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.968 5.975 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.938 2.865 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.238 3.397 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.973 3.013 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.189 4.358 2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.494 4.869 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.014 3.277 1.817 1.00 0.00 H new ATOM 847 N SER A 54 3.776 7.888 -1.146 1.00 0.00 N ATOM 848 CA SER A 54 3.863 9.333 -0.801 1.00 0.00 C ATOM 849 C SER A 54 2.675 9.715 0.075 1.00 0.00 C ATOM 850 O SER A 54 1.541 9.407 -0.235 1.00 0.00 O ATOM 851 CB SER A 54 3.844 10.168 -2.080 1.00 0.00 C ATOM 852 OG SER A 54 3.934 11.545 -1.738 1.00 0.00 O ATOM 0 H SER A 54 2.829 7.531 -1.269 1.00 0.00 H new ATOM 0 HA SER A 54 4.791 9.523 -0.261 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.676 9.886 -2.726 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.928 9.979 -2.639 1.00 0.00 H new ATOM 0 HG SER A 54 3.924 12.086 -2.555 1.00 0.00 H new ATOM 858 N SER A 55 2.935 10.386 1.167 1.00 0.00 N ATOM 859 CA SER A 55 1.841 10.809 2.093 1.00 0.00 C ATOM 860 C SER A 55 1.842 12.331 2.219 1.00 0.00 C ATOM 861 O SER A 55 2.875 12.955 2.357 1.00 0.00 O ATOM 862 CB SER A 55 2.066 10.174 3.462 1.00 0.00 C ATOM 863 OG SER A 55 1.112 10.690 4.379 1.00 0.00 O ATOM 0 H SER A 55 3.872 10.663 1.461 1.00 0.00 H new ATOM 0 HA SER A 55 0.878 10.484 1.699 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.973 9.090 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.076 10.385 3.812 1.00 0.00 H new ATOM 0 HG SER A 55 1.510 11.429 4.884 1.00 0.00 H new ATOM 869 N PHE A 56 0.685 12.933 2.147 1.00 0.00 N ATOM 870 CA PHE A 56 0.594 14.420 2.234 1.00 0.00 C ATOM 871 C PHE A 56 0.282 14.868 3.663 1.00 0.00 C ATOM 872 O PHE A 56 -0.729 14.508 4.235 1.00 0.00 O ATOM 873 CB PHE A 56 -0.520 14.895 1.301 1.00 0.00 C ATOM 874 CG PHE A 56 -0.063 14.763 -0.133 1.00 0.00 C ATOM 875 CD1 PHE A 56 0.887 15.654 -0.645 1.00 0.00 C ATOM 876 CD2 PHE A 56 -0.583 13.749 -0.945 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.317 15.533 -1.972 1.00 0.00 C ATOM 878 CE2 PHE A 56 -0.152 13.627 -2.273 1.00 0.00 C ATOM 879 CZ PHE A 56 0.796 14.520 -2.786 1.00 0.00 C ATOM 0 H PHE A 56 -0.208 12.454 2.031 1.00 0.00 H new ATOM 0 HA PHE A 56 1.551 14.852 1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.422 14.304 1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.775 15.932 1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.289 16.435 -0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.316 13.061 -0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.050 16.221 -2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.551 12.844 -2.901 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.126 14.428 -3.810 1.00 0.00 H new ATOM 889 N GLY A 57 1.138 15.681 4.224 1.00 0.00 N ATOM 890 CA GLY A 57 0.908 16.200 5.604 1.00 0.00 C ATOM 891 C GLY A 57 1.063 15.078 6.630 1.00 0.00 C ATOM 892 O GLY A 57 1.665 15.258 7.670 1.00 0.00 O ATOM 0 H GLY A 57 1.995 16.011 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.616 17.000 5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.091 16.631 5.675 1.00 0.00 H new ATOM 896 N LYS A 58 0.505 13.932 6.364 1.00 0.00 N ATOM 897 CA LYS A 58 0.596 12.815 7.341 1.00 0.00 C ATOM 898 C LYS A 58 1.962 12.131 7.254 1.00 0.00 C ATOM 899 O LYS A 58 2.436 11.782 6.192 1.00 0.00 O ATOM 900 CB LYS A 58 -0.523 11.806 7.043 1.00 0.00 C ATOM 901 CG LYS A 58 -0.906 11.046 8.322 1.00 0.00 C ATOM 902 CD LYS A 58 -2.138 10.161 8.059 1.00 0.00 C ATOM 903 CE LYS A 58 -3.425 10.966 8.277 1.00 0.00 C ATOM 904 NZ LYS A 58 -3.510 11.385 9.704 1.00 0.00 N ATOM 0 H LYS A 58 -0.011 13.721 5.510 1.00 0.00 H new ATOM 0 HA LYS A 58 0.481 13.207 8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.395 12.326 6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.194 11.103 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.070 10.430 8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.120 11.752 9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.108 9.778 7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.123 9.298 8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.434 11.842 7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.294 10.364 8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.508 11.425 9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.003 10.698 10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.079 12.325 9.816 1.00 0.00 H new ATOM 918 N GLN A 59 2.591 11.941 8.384 1.00 0.00 N ATOM 919 CA GLN A 59 3.930 11.287 8.416 1.00 0.00 C ATOM 920 C GLN A 59 3.783 9.777 8.609 1.00 0.00 C ATOM 921 O GLN A 59 2.740 9.284 8.993 1.00 0.00 O ATOM 922 CB GLN A 59 4.743 11.865 9.577 1.00 0.00 C ATOM 923 CG GLN A 59 3.969 11.694 10.888 1.00 0.00 C ATOM 924 CD GLN A 59 4.801 12.238 12.051 1.00 0.00 C ATOM 925 OE1 GLN A 59 5.745 12.975 11.843 1.00 0.00 O ATOM 926 NE2 GLN A 59 4.493 11.904 13.275 1.00 0.00 N ATOM 0 H GLN A 59 2.228 12.215 9.297 1.00 0.00 H new ATOM 0 HA GLN A 59 4.438 11.474 7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.707 11.361 9.645 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.947 12.921 9.400 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.017 12.221 10.831 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.741 10.641 11.052 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.701 11.286 13.451 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.044 12.261 14.055 1.00 0.00 H new ATOM 935 N LEU A 60 4.838 9.048 8.347 1.00 0.00 N ATOM 936 CA LEU A 60 4.814 7.562 8.507 1.00 0.00 C ATOM 937 C LEU A 60 5.980 7.141 9.394 1.00 0.00 C ATOM 938 O LEU A 60 6.953 7.855 9.536 1.00 0.00 O ATOM 939 CB LEU A 60 4.957 6.902 7.137 1.00 0.00 C ATOM 940 CG LEU A 60 3.816 7.355 6.221 1.00 0.00 C ATOM 941 CD1 LEU A 60 4.037 6.783 4.818 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.467 6.857 6.771 1.00 0.00 C ATOM 0 H LEU A 60 5.729 9.426 8.024 1.00 0.00 H new ATOM 0 HA LEU A 60 3.872 7.254 8.961 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.917 7.166 6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.942 5.817 7.242 1.00 0.00 H new ATOM 0 HG LEU A 60 3.802 8.444 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.227 7.103 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.987 7.144 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.055 5.694 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.662 7.184 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.474 5.768 6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.308 7.265 7.769 1.00 0.00 H new ATOM 954 N GLN A 61 5.878 5.988 10.004 1.00 0.00 N ATOM 955 CA GLN A 61 6.965 5.501 10.907 1.00 0.00 C ATOM 956 C GLN A 61 7.757 4.382 10.226 1.00 0.00 C ATOM 957 O GLN A 61 7.214 3.467 9.635 1.00 0.00 O ATOM 958 CB GLN A 61 6.334 4.986 12.201 1.00 0.00 C ATOM 959 CG GLN A 61 5.819 6.168 13.028 1.00 0.00 C ATOM 960 CD GLN A 61 7.001 7.009 13.513 1.00 0.00 C ATOM 961 OE1 GLN A 61 7.928 6.491 14.105 1.00 0.00 O ATOM 962 NE2 GLN A 61 7.011 8.294 13.283 1.00 0.00 N ATOM 0 H GLN A 61 5.081 5.357 9.914 1.00 0.00 H new ATOM 0 HA GLN A 61 7.651 6.318 11.130 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.514 4.305 11.972 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.068 4.420 12.775 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.147 6.780 12.427 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.244 5.806 13.880 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.234 8.729 12.786 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.796 8.863 13.600 1.00 0.00 H new ATOM 971 N ASP A 62 9.055 4.473 10.300 1.00 0.00 N ATOM 972 CA ASP A 62 9.925 3.457 9.652 1.00 0.00 C ATOM 973 C ASP A 62 9.838 2.114 10.376 1.00 0.00 C ATOM 974 O ASP A 62 9.727 2.051 11.584 1.00 0.00 O ATOM 975 CB ASP A 62 11.368 3.961 9.658 1.00 0.00 C ATOM 976 CG ASP A 62 11.844 4.175 11.097 1.00 0.00 C ATOM 977 OD1 ASP A 62 11.036 4.025 11.998 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.009 4.492 11.270 1.00 0.00 O ATOM 0 H ASP A 62 9.554 5.217 10.788 1.00 0.00 H new ATOM 0 HA ASP A 62 9.586 3.306 8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.015 3.242 9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.438 4.895 9.101 1.00 0.00 H new ATOM 983 N SER A 63 9.896 1.042 9.629 1.00 0.00 N ATOM 984 CA SER A 63 9.823 -0.317 10.233 1.00 0.00 C ATOM 985 C SER A 63 8.446 -0.506 10.863 1.00 0.00 C ATOM 986 O SER A 63 8.170 -1.509 11.494 1.00 0.00 O ATOM 987 CB SER A 63 10.921 -0.475 11.291 1.00 0.00 C ATOM 988 OG SER A 63 11.163 -1.859 11.513 1.00 0.00 O ATOM 0 H SER A 63 9.992 1.053 8.614 1.00 0.00 H new ATOM 0 HA SER A 63 9.974 -1.074 9.463 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.835 0.017 10.959 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.618 0.007 12.221 1.00 0.00 H new ATOM 0 HG SER A 63 10.309 -2.335 11.570 1.00 0.00 H new ATOM 994 N ASP A 64 7.577 0.456 10.696 1.00 0.00 N ATOM 995 CA ASP A 64 6.212 0.348 11.278 1.00 0.00 C ATOM 996 C ASP A 64 5.265 -0.300 10.269 1.00 0.00 C ATOM 997 O ASP A 64 5.256 0.040 9.096 1.00 0.00 O ATOM 998 CB ASP A 64 5.713 1.744 11.630 1.00 0.00 C ATOM 999 CG ASP A 64 4.451 1.634 12.487 1.00 0.00 C ATOM 1000 OD1 ASP A 64 3.948 0.533 12.625 1.00 0.00 O ATOM 1001 OD2 ASP A 64 4.011 2.655 12.987 1.00 0.00 O ATOM 0 H ASP A 64 7.758 1.316 10.178 1.00 0.00 H new ATOM 0 HA ASP A 64 6.245 -0.270 12.176 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.485 2.292 12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.500 2.306 10.720 1.00 0.00 H new ATOM 1006 N VAL A 65 4.468 -1.232 10.722 1.00 0.00 N ATOM 1007 CA VAL A 65 3.509 -1.912 9.813 1.00 0.00 C ATOM 1008 C VAL A 65 2.220 -1.097 9.752 1.00 0.00 C ATOM 1009 O VAL A 65 1.576 -0.857 10.756 1.00 0.00 O ATOM 1010 CB VAL A 65 3.202 -3.310 10.352 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.110 -3.959 9.499 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.471 -4.166 10.296 1.00 0.00 C ATOM 0 H VAL A 65 4.443 -1.551 11.691 1.00 0.00 H new ATOM 0 HA VAL A 65 3.941 -1.996 8.816 1.00 0.00 H new ATOM 0 HB VAL A 65 2.858 -3.235 11.384 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.892 -4.955 9.884 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.207 -3.349 9.538 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.452 -4.036 8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.255 -5.163 10.680 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.814 -4.241 9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.249 -3.704 10.904 1.00 0.00 H new ATOM 1022 N VAL A 66 1.841 -0.672 8.576 1.00 0.00 N ATOM 1023 CA VAL A 66 0.593 0.131 8.421 1.00 0.00 C ATOM 1024 C VAL A 66 -0.191 -0.358 7.207 1.00 0.00 C ATOM 1025 O VAL A 66 0.346 -0.988 6.311 1.00 0.00 O ATOM 1026 CB VAL A 66 0.959 1.610 8.240 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.971 2.017 9.314 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.581 1.829 6.854 1.00 0.00 C ATOM 0 H VAL A 66 2.347 -0.849 7.708 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.024 0.015 9.312 1.00 0.00 H new ATOM 0 HB VAL A 66 0.057 2.215 8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.233 3.068 9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.534 1.868 10.301 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.868 1.405 9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.838 2.881 6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.481 1.222 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.866 1.539 6.084 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.461 -0.048 7.172 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.325 -0.451 6.025 1.00 0.00 C ATOM 1040 C ARG A 67 -2.975 0.791 5.431 1.00 0.00 C ATOM 1041 O ARG A 67 -3.619 1.556 6.120 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.397 -1.423 6.515 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.269 -1.856 5.334 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.248 -2.937 5.798 1.00 0.00 C ATOM 1045 NE ARG A 67 -6.106 -3.349 4.652 1.00 0.00 N ATOM 1046 CZ ARG A 67 -6.927 -4.359 4.775 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.005 -5.012 5.902 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -7.672 -4.713 3.764 1.00 0.00 N ATOM 0 H ARG A 67 -1.943 0.476 7.903 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.724 -0.943 5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.931 -2.294 6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.011 -0.948 7.280 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.815 -1.000 4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.644 -2.237 4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.701 -3.797 6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.866 -2.559 6.612 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.053 -2.842 3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.424 -4.735 6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.647 -5.799 5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.612 -4.202 2.883 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.314 -5.500 3.855 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.800 0.996 4.154 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.391 2.192 3.494 1.00 0.00 C ATOM 1064 C ILE A 68 -4.680 1.785 2.794 1.00 0.00 C ATOM 1065 O ILE A 68 -4.710 0.842 2.022 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.409 2.741 2.458 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.073 3.046 3.140 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -2.970 4.035 1.859 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.021 3.389 2.082 1.00 0.00 C ATOM 0 H ILE A 68 -2.269 0.382 3.537 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.598 2.958 4.241 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.263 2.003 1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.190 3.878 3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.748 2.186 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.271 4.427 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.927 3.829 1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.112 4.771 2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.929 3.606 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.103 2.544 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.345 4.262 1.516 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.744 2.499 3.070 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.065 2.195 2.447 1.00 0.00 C ATOM 1083 C ASP A 69 -7.451 3.334 1.502 1.00 0.00 C ATOM 1084 O ASP A 69 -7.260 4.499 1.804 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.117 2.060 3.549 1.00 0.00 C ATOM 1086 CG ASP A 69 -9.402 1.473 2.961 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -9.579 1.572 1.759 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -10.185 0.935 3.725 1.00 0.00 O ATOM 0 H ASP A 69 -5.750 3.292 3.711 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.006 1.264 1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.743 1.418 4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.320 3.034 3.993 1.00 0.00 H new ATOM 1093 N ASN A 70 -7.985 2.988 0.359 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.391 4.009 -0.652 1.00 0.00 C ATOM 1095 C ASN A 70 -7.158 4.789 -1.123 1.00 0.00 C ATOM 1096 O ASN A 70 -7.210 5.985 -1.337 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.418 4.970 -0.046 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.110 5.746 -1.169 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.167 5.287 -2.292 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.648 6.906 -0.913 1.00 0.00 N ATOM 0 H ASN A 70 -8.160 2.023 0.079 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.843 3.504 -1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.154 4.414 0.535 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.927 5.661 0.639 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.116 7.426 -1.655 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.601 7.293 0.030 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.052 4.113 -1.296 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.813 4.798 -1.762 1.00 0.00 C ATOM 1109 C ALA A 71 -4.996 5.262 -3.207 1.00 0.00 C ATOM 1110 O ALA A 71 -5.701 4.640 -3.981 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.629 3.831 -1.677 1.00 0.00 C ATOM 0 H ALA A 71 -5.955 3.111 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.618 5.663 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.724 4.333 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.497 3.507 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.822 2.963 -2.308 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.371 6.354 -3.573 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.508 6.879 -4.964 1.00 0.00 C ATOM 1119 C ARG A 72 -3.292 6.469 -5.797 1.00 0.00 C ATOM 1120 O ARG A 72 -2.163 6.783 -5.477 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.615 8.406 -4.912 1.00 0.00 C ATOM 1122 CG ARG A 72 -5.089 8.929 -6.269 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.281 10.448 -6.201 1.00 0.00 C ATOM 1124 NE ARG A 72 -3.956 11.110 -6.019 1.00 0.00 N ATOM 1125 CZ ARG A 72 -3.880 12.407 -5.862 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -4.959 13.140 -5.883 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -2.715 12.970 -5.691 1.00 0.00 N ATOM 0 H ARG A 72 -3.768 6.906 -2.963 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.404 6.465 -5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.313 8.706 -4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.648 8.841 -4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.360 8.679 -7.040 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.026 8.447 -6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.756 10.806 -7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.944 10.705 -5.375 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.105 10.548 -6.017 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.870 12.703 -6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.892 14.150 -5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.870 12.400 -5.680 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.650 13.980 -5.568 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.527 5.756 -6.864 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.409 5.300 -7.735 1.00 0.00 C ATOM 1143 C VAL A 73 -1.984 6.431 -8.669 1.00 0.00 C ATOM 1144 O VAL A 73 -2.803 7.091 -9.278 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.873 4.097 -8.559 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.778 3.696 -9.551 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.174 2.923 -7.621 1.00 0.00 C ATOM 0 H VAL A 73 -4.456 5.467 -7.172 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.559 5.014 -7.116 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.775 4.362 -9.110 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.113 2.839 -10.136 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.569 4.531 -10.219 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.872 3.432 -9.006 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.505 2.065 -8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.273 2.659 -7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.959 3.209 -6.921 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.703 6.661 -8.784 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.210 7.749 -9.677 1.00 0.00 C ATOM 1159 C ALA A 74 1.127 7.339 -10.290 1.00 0.00 C ATOM 1160 O ALA A 74 1.845 6.521 -9.745 1.00 0.00 O ATOM 1161 CB ALA A 74 -0.023 9.029 -8.863 1.00 0.00 C ATOM 0 H ALA A 74 0.025 6.140 -8.296 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.936 7.924 -10.471 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.337 9.825 -9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.976 9.323 -8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.703 8.853 -8.070 1.00 0.00 H new ATOM 1167 N GLN A 75 1.460 7.901 -11.426 1.00 0.00 N ATOM 1168 CA GLN A 75 2.748 7.561 -12.105 1.00 0.00 C ATOM 1169 C GLN A 75 3.659 8.784 -12.117 1.00 0.00 C ATOM 1170 O GLN A 75 3.331 9.808 -12.685 1.00 0.00 O ATOM 1171 CB GLN A 75 2.457 7.128 -13.542 1.00 0.00 C ATOM 1172 CG GLN A 75 3.774 6.787 -14.245 1.00 0.00 C ATOM 1173 CD GLN A 75 3.480 6.187 -15.619 1.00 0.00 C ATOM 1174 OE1 GLN A 75 2.865 6.818 -16.454 1.00 0.00 O ATOM 1175 NE2 GLN A 75 3.904 4.983 -15.892 1.00 0.00 N ATOM 0 H GLN A 75 0.888 8.588 -11.917 1.00 0.00 H new ATOM 0 HA GLN A 75 3.242 6.751 -11.569 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.795 6.262 -13.546 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.942 7.926 -14.077 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.384 7.684 -14.351 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.347 6.081 -13.644 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.421 4.453 -15.190 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.719 4.572 -16.807 1.00 0.00 H new ATOM 1184 N PHE A 76 4.811 8.674 -11.498 1.00 0.00 N ATOM 1185 CA PHE A 76 5.777 9.815 -11.462 1.00 0.00 C ATOM 1186 C PHE A 76 7.080 9.411 -12.155 1.00 0.00 C ATOM 1187 O PHE A 76 7.689 8.412 -11.829 1.00 0.00 O ATOM 1188 CB PHE A 76 6.062 10.186 -10.007 1.00 0.00 C ATOM 1189 CG PHE A 76 4.799 10.720 -9.368 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.312 11.982 -9.733 1.00 0.00 C ATOM 1191 CD2 PHE A 76 4.116 9.956 -8.414 1.00 0.00 C ATOM 1192 CE1 PHE A 76 3.144 12.480 -9.143 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.947 10.455 -7.825 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.461 11.717 -8.189 1.00 0.00 C ATOM 0 H PHE A 76 5.125 7.834 -11.012 1.00 0.00 H new ATOM 0 HA PHE A 76 5.348 10.672 -11.981 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.418 9.313 -9.461 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.852 10.936 -9.959 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.838 12.571 -10.470 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.490 8.983 -8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.770 13.453 -9.424 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.420 9.866 -7.089 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.560 12.101 -7.734 1.00 0.00 H new ATOM 1204 N ASN A 77 7.502 10.193 -13.111 1.00 0.00 N ATOM 1205 CA ASN A 77 8.763 9.900 -13.852 1.00 0.00 C ATOM 1206 C ASN A 77 8.707 8.495 -14.455 1.00 0.00 C ATOM 1207 O ASN A 77 9.713 7.824 -14.597 1.00 0.00 O ATOM 1208 CB ASN A 77 9.960 10.028 -12.903 1.00 0.00 C ATOM 1209 CG ASN A 77 10.157 11.502 -12.525 1.00 0.00 C ATOM 1210 OD1 ASN A 77 10.706 11.803 -11.484 1.00 0.00 O ATOM 1211 ND2 ASN A 77 9.729 12.443 -13.328 1.00 0.00 N ATOM 0 H ASN A 77 7.018 11.038 -13.415 1.00 0.00 H new ATOM 0 HA ASN A 77 8.877 10.618 -14.664 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.793 9.431 -12.007 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.860 9.641 -13.381 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.857 13.424 -13.078 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.267 12.196 -14.203 1.00 0.00 H new ATOM 1218 N GLY A 78 7.539 8.060 -14.843 1.00 0.00 N ATOM 1219 CA GLY A 78 7.403 6.715 -15.470 1.00 0.00 C ATOM 1220 C GLY A 78 7.386 5.628 -14.397 1.00 0.00 C ATOM 1221 O GLY A 78 7.393 4.452 -14.705 1.00 0.00 O ATOM 0 H GLY A 78 6.668 8.582 -14.752 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.485 6.671 -16.056 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.230 6.542 -16.159 1.00 0.00 H new ATOM 1225 N TYR A 79 7.365 6.005 -13.141 1.00 0.00 N ATOM 1226 CA TYR A 79 7.349 4.991 -12.038 1.00 0.00 C ATOM 1227 C TYR A 79 6.022 5.060 -11.283 1.00 0.00 C ATOM 1228 O TYR A 79 5.539 6.120 -10.939 1.00 0.00 O ATOM 1229 CB TYR A 79 8.497 5.276 -11.072 1.00 0.00 C ATOM 1230 CG TYR A 79 9.812 5.012 -11.765 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.296 3.702 -11.869 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.550 6.075 -12.299 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.517 3.456 -12.506 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.771 5.828 -12.938 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.256 4.518 -13.040 1.00 0.00 C ATOM 1236 OH TYR A 79 13.461 4.276 -13.666 1.00 0.00 O ATOM 0 H TYR A 79 7.358 6.977 -12.830 1.00 0.00 H new ATOM 0 HA TYR A 79 7.465 3.995 -12.466 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.453 6.311 -10.733 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.407 4.646 -10.187 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.727 2.882 -11.457 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.178 7.085 -12.218 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.890 2.446 -12.586 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.339 6.648 -13.352 1.00 0.00 H new ATOM 0 HH TYR A 79 13.842 5.122 -13.980 1.00 0.00 H new ATOM 1246 N LEU A 80 5.432 3.924 -11.032 1.00 0.00 N ATOM 1247 CA LEU A 80 4.132 3.889 -10.308 1.00 0.00 C ATOM 1248 C LEU A 80 4.358 4.101 -8.811 1.00 0.00 C ATOM 1249 O LEU A 80 5.349 3.674 -8.252 1.00 0.00 O ATOM 1250 CB LEU A 80 3.468 2.532 -10.542 1.00 0.00 C ATOM 1251 CG LEU A 80 3.272 2.313 -12.049 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.670 0.925 -12.288 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.335 3.394 -12.623 1.00 0.00 C ATOM 0 H LEU A 80 5.799 3.011 -11.300 1.00 0.00 H new ATOM 0 HA LEU A 80 3.488 4.685 -10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.085 1.736 -10.125 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.507 2.492 -10.029 1.00 0.00 H new ATOM 0 HG LEU A 80 4.238 2.382 -12.550 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.530 0.768 -13.358 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.344 0.164 -11.895 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.707 0.854 -11.782 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.202 3.230 -13.692 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.367 3.339 -12.125 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.772 4.379 -12.458 1.00 0.00 H new ATOM 1265 N SER A 81 3.434 4.753 -8.159 1.00 0.00 N ATOM 1266 CA SER A 81 3.572 4.997 -6.697 1.00 0.00 C ATOM 1267 C SER A 81 2.184 5.171 -6.079 1.00 0.00 C ATOM 1268 O SER A 81 1.221 5.453 -6.766 1.00 0.00 O ATOM 1269 CB SER A 81 4.398 6.261 -6.466 1.00 0.00 C ATOM 1270 OG SER A 81 3.561 7.401 -6.611 1.00 0.00 O ATOM 0 H SER A 81 2.585 5.129 -8.580 1.00 0.00 H new ATOM 0 HA SER A 81 4.074 4.149 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.840 6.244 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.221 6.307 -7.179 1.00 0.00 H new ATOM 0 HG SER A 81 4.057 8.206 -6.354 1.00 0.00 H new ATOM 1276 N LEU A 82 2.077 4.999 -4.785 1.00 0.00 N ATOM 1277 CA LEU A 82 0.754 5.144 -4.104 1.00 0.00 C ATOM 1278 C LEU A 82 0.722 6.463 -3.332 1.00 0.00 C ATOM 1279 O LEU A 82 1.507 6.689 -2.432 1.00 0.00 O ATOM 1280 CB LEU A 82 0.562 3.977 -3.132 1.00 0.00 C ATOM 1281 CG LEU A 82 0.703 2.649 -3.888 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.529 1.484 -2.908 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.361 2.559 -4.995 1.00 0.00 C ATOM 0 H LEU A 82 2.854 4.763 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.045 5.140 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.300 4.032 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.421 4.038 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 82 1.692 2.598 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.629 0.540 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.293 1.544 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.459 1.538 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.254 1.613 -5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.355 2.615 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.230 3.385 -5.694 1.00 0.00 H new ATOM 1295 N SER A 83 -0.187 7.334 -3.685 1.00 0.00 N ATOM 1296 CA SER A 83 -0.295 8.649 -2.991 1.00 0.00 C ATOM 1297 C SER A 83 -1.401 8.579 -1.941 1.00 0.00 C ATOM 1298 O SER A 83 -2.522 8.206 -2.230 1.00 0.00 O ATOM 1299 CB SER A 83 -0.626 9.734 -4.019 1.00 0.00 C ATOM 1300 OG SER A 83 0.555 10.074 -4.731 1.00 0.00 O ATOM 0 H SER A 83 -0.866 7.188 -4.432 1.00 0.00 H new ATOM 0 HA SER A 83 0.650 8.887 -2.502 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.392 9.378 -4.708 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.031 10.614 -3.520 1.00 0.00 H new ATOM 0 HG SER A 83 0.350 10.767 -5.393 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.091 8.932 -0.721 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.113 8.891 0.367 1.00 0.00 C ATOM 1308 C VAL A 84 -2.594 10.310 0.673 1.00 0.00 C ATOM 1309 O VAL A 84 -1.871 11.124 1.221 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.479 8.269 1.613 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.571 7.848 2.596 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.664 7.038 1.203 1.00 0.00 C ATOM 0 H VAL A 84 -0.167 9.249 -0.429 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.969 8.292 0.055 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.829 9.002 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.113 7.406 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.155 8.721 2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.225 7.116 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.210 6.591 2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.320 6.310 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.118 7.336 0.505 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.815 10.608 0.311 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.380 11.970 0.554 1.00 0.00 C ATOM 1324 C GLY A 85 -5.205 11.987 1.842 1.00 0.00 C ATOM 1325 O GLY A 85 -5.291 11.009 2.558 1.00 0.00 O ATOM 0 H GLY A 85 -4.453 9.958 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.572 12.698 0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.005 12.266 -0.289 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.820 13.103 2.133 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.654 13.217 3.364 1.00 0.00 C ATOM 1331 C ASP A 86 -7.900 12.337 3.224 1.00 0.00 C ATOM 1332 O ASP A 86 -8.567 12.034 4.194 1.00 0.00 O ATOM 1333 CB ASP A 86 -7.079 14.676 3.545 1.00 0.00 C ATOM 1334 CG ASP A 86 -5.869 15.517 3.959 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -4.883 14.936 4.382 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -5.949 16.729 3.846 1.00 0.00 O ATOM 0 H ASP A 86 -5.779 13.949 1.564 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.078 12.889 4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.501 15.060 2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.860 14.746 4.303 1.00 0.00 H new ATOM 1341 N SER A 87 -8.225 11.932 2.026 1.00 0.00 N ATOM 1342 CA SER A 87 -9.431 11.078 1.829 1.00 0.00 C ATOM 1343 C SER A 87 -9.064 9.619 2.114 1.00 0.00 C ATOM 1344 O SER A 87 -9.916 8.756 2.186 1.00 0.00 O ATOM 1345 CB SER A 87 -9.908 11.211 0.380 1.00 0.00 C ATOM 1346 OG SER A 87 -8.907 10.704 -0.493 1.00 0.00 O ATOM 0 H SER A 87 -7.708 12.156 1.176 1.00 0.00 H new ATOM 0 HA SER A 87 -10.225 11.394 2.506 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.840 10.663 0.240 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.114 12.256 0.147 1.00 0.00 H new ATOM 0 HG SER A 87 -9.210 10.786 -1.421 1.00 0.00 H new ATOM 1352 N SER A 88 -7.797 9.342 2.277 1.00 0.00 N ATOM 1353 CA SER A 88 -7.361 7.944 2.557 1.00 0.00 C ATOM 1354 C SER A 88 -7.371 7.682 4.058 1.00 0.00 C ATOM 1355 O SER A 88 -7.474 8.593 4.856 1.00 0.00 O ATOM 1356 CB SER A 88 -5.942 7.742 2.035 1.00 0.00 C ATOM 1357 OG SER A 88 -5.480 6.456 2.432 1.00 0.00 O ATOM 0 H SER A 88 -7.043 10.027 2.228 1.00 0.00 H new ATOM 0 HA SER A 88 -8.047 7.256 2.063 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.925 7.829 0.949 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.283 8.516 2.427 1.00 0.00 H new ATOM 0 HG SER A 88 -6.109 5.772 2.121 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.250 6.436 4.444 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.234 6.091 5.899 1.00 0.00 C ATOM 1365 C ARG A 89 -6.073 5.141 6.178 1.00 0.00 C ATOM 1366 O ARG A 89 -5.846 4.195 5.449 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.551 5.413 6.280 1.00 0.00 C ATOM 1368 CG ARG A 89 -8.651 5.271 7.812 1.00 0.00 C ATOM 1369 CD ARG A 89 -9.221 6.560 8.420 1.00 0.00 C ATOM 1370 NE ARG A 89 -9.311 6.419 9.901 1.00 0.00 N ATOM 1371 CZ ARG A 89 -8.291 6.721 10.661 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -7.167 7.126 10.133 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -8.399 6.616 11.957 1.00 0.00 N ATOM 0 H ARG A 89 -7.161 5.640 3.812 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.113 7.000 6.488 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.391 5.998 5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.612 4.431 5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.290 4.425 8.067 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.666 5.065 8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.585 7.407 8.164 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.207 6.765 8.004 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.176 6.084 10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.080 7.209 9.120 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.376 7.360 10.734 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -9.276 6.300 12.372 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.607 6.850 12.555 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.337 5.392 7.233 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.178 4.516 7.587 1.00 0.00 C ATOM 1389 C ILE A 90 -4.441 3.829 8.927 1.00 0.00 C ATOM 1390 O ILE A 90 -4.811 4.460 9.898 1.00 0.00 O ATOM 1391 CB ILE A 90 -2.914 5.369 7.687 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.619 5.988 6.315 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -1.738 4.486 8.114 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.454 6.977 6.425 1.00 0.00 C ATOM 0 H ILE A 90 -5.492 6.174 7.870 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.047 3.757 6.816 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.058 6.160 8.423 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.375 5.204 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.506 6.498 5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.835 5.092 8.186 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.953 4.038 9.084 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.588 3.698 7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.252 7.411 5.446 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.714 7.769 7.127 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.566 6.455 6.781 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.250 2.533 8.976 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.480 1.762 10.240 1.00 0.00 C ATOM 1408 C GLU A 91 -3.175 1.097 10.682 1.00 0.00 C ATOM 1409 O GLU A 91 -2.575 0.333 9.952 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.543 0.694 9.982 1.00 0.00 C ATOM 1411 CG GLU A 91 -6.896 1.374 9.763 1.00 0.00 C ATOM 1412 CD GLU A 91 -7.954 0.320 9.432 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -7.604 -0.847 9.384 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -9.097 0.699 9.235 1.00 0.00 O ATOM 0 H GLU A 91 -3.941 1.969 8.184 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.819 2.435 11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.275 0.101 9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.600 0.008 10.827 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.186 1.926 10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.823 2.098 8.951 1.00 0.00 H new ATOM 1421 N SER A 92 -2.735 1.396 11.875 1.00 0.00 N ATOM 1422 CA SER A 92 -1.469 0.802 12.389 1.00 0.00 C ATOM 1423 C SER A 92 -1.722 -0.612 12.917 1.00 0.00 C ATOM 1424 O SER A 92 -2.785 -0.920 13.419 1.00 0.00 O ATOM 1425 CB SER A 92 -0.929 1.681 13.521 1.00 0.00 C ATOM 1426 OG SER A 92 -0.305 2.829 12.963 1.00 0.00 O ATOM 0 H SER A 92 -3.203 2.032 12.520 1.00 0.00 H new ATOM 0 HA SER A 92 -0.742 0.749 11.578 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.741 1.980 14.185 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.214 1.120 14.124 1.00 0.00 H new ATOM 0 HG SER A 92 0.041 3.396 13.684 1.00 0.00 H new ATOM 1432 N VAL A 93 -0.736 -1.468 12.820 1.00 0.00 N ATOM 1433 CA VAL A 93 -0.883 -2.864 13.325 1.00 0.00 C ATOM 1434 C VAL A 93 0.410 -3.267 14.046 1.00 0.00 C ATOM 1435 O VAL A 93 0.878 -4.382 13.926 1.00 0.00 O ATOM 1436 CB VAL A 93 -1.141 -3.809 12.144 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -1.767 -5.112 12.652 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -2.100 -3.137 11.157 1.00 0.00 C ATOM 0 H VAL A 93 0.173 -1.255 12.408 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.722 -2.926 14.018 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.197 -4.032 11.646 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.949 -5.781 11.811 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.087 -5.592 13.356 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.711 -4.892 13.151 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.285 -3.806 10.317 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.042 -2.915 11.659 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.656 -2.211 10.792 1.00 0.00 H new