USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 728 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 163:sc= -0.794 (180deg=-1.54) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0932 K(o=-0.093,f=-1.4) USER MOD Single : A 22 CYS SG : rot 19:sc= 0.149 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 145:sc= -0.0655 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc=-0.000189 X(o=-0.00019,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0214 USER MOD Single : A 52 LYS NZ :NH3+ -140:sc= -0.209 (180deg=-1.03) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -1.81! X(o=-1.8!,f=-1.7) USER MOD Single : A 63 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-0.73) USER MOD Single : A 65 ASN : amide:sc= -1.44 K(o=-1.4,f=-4.2!) USER MOD Single : A 69 SER OG : rot -120:sc= -0.613 USER MOD Single : A 71 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0402 K(o=-0.04,f=-1.7!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.6!) USER MOD Single : A 87 THR OG1 : rot -61:sc= 0.495 USER MOD Single : A 90 SER OG : rot -52:sc= 0.227 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.916 -3.690 -8.283 1.00 0.00 N ATOM 2 CA GLY A 1 7.063 -2.672 -7.260 1.00 0.00 C ATOM 3 C GLY A 1 7.954 -1.529 -7.703 1.00 0.00 C ATOM 4 O GLY A 1 9.052 -1.349 -7.176 1.00 0.00 O ATOM 0 H1 GLY A 1 6.298 -4.449 -7.931 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.495 -3.268 -9.135 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.849 -4.084 -8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.080 -2.281 -6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.478 -3.124 -6.359 1.00 0.00 H new ATOM 8 N SER A 2 7.482 -0.755 -8.675 1.00 0.00 N ATOM 9 CA SER A 2 8.247 0.374 -9.193 1.00 0.00 C ATOM 10 C SER A 2 8.228 1.540 -8.210 1.00 0.00 C ATOM 11 O SER A 2 7.171 2.092 -7.905 1.00 0.00 O ATOM 12 CB SER A 2 7.684 0.821 -10.544 1.00 0.00 C ATOM 13 OG SER A 2 8.219 2.075 -10.929 1.00 0.00 O ATOM 0 H SER A 2 6.574 -0.889 -9.120 1.00 0.00 H new ATOM 0 HA SER A 2 9.280 0.051 -9.326 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.916 0.074 -11.303 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.598 0.888 -10.485 1.00 0.00 H new ATOM 0 HG SER A 2 7.845 2.338 -11.796 1.00 0.00 H new ATOM 19 N SER A 3 9.406 1.910 -7.718 1.00 0.00 N ATOM 20 CA SER A 3 9.526 3.008 -6.766 1.00 0.00 C ATOM 21 C SER A 3 10.698 3.915 -7.128 1.00 0.00 C ATOM 22 O SER A 3 11.577 3.534 -7.899 1.00 0.00 O ATOM 23 CB SER A 3 9.706 2.464 -5.347 1.00 0.00 C ATOM 24 OG SER A 3 8.503 1.891 -4.864 1.00 0.00 O ATOM 0 H SER A 3 10.291 1.466 -7.963 1.00 0.00 H new ATOM 0 HA SER A 3 8.608 3.595 -6.808 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.498 1.715 -5.339 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.021 3.269 -4.683 1.00 0.00 H new ATOM 0 HG SER A 3 8.645 1.549 -3.957 1.00 0.00 H new ATOM 30 N GLY A 4 10.703 5.119 -6.564 1.00 0.00 N ATOM 31 CA GLY A 4 11.770 6.063 -6.838 1.00 0.00 C ATOM 32 C GLY A 4 11.253 7.386 -7.367 1.00 0.00 C ATOM 33 O GLY A 4 11.803 7.939 -8.320 1.00 0.00 O ATOM 0 H GLY A 4 9.986 5.457 -5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.339 6.238 -5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.457 5.629 -7.564 1.00 0.00 H new ATOM 37 N SER A 5 10.191 7.894 -6.750 1.00 0.00 N ATOM 38 CA SER A 5 9.596 9.158 -7.168 1.00 0.00 C ATOM 39 C SER A 5 8.797 9.785 -6.030 1.00 0.00 C ATOM 40 O SER A 5 8.154 9.084 -5.248 1.00 0.00 O ATOM 41 CB SER A 5 8.692 8.942 -8.383 1.00 0.00 C ATOM 42 OG SER A 5 7.491 8.287 -8.015 1.00 0.00 O ATOM 0 H SER A 5 9.725 7.450 -5.959 1.00 0.00 H new ATOM 0 HA SER A 5 10.402 9.839 -7.440 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.460 9.903 -8.843 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.219 8.349 -9.131 1.00 0.00 H new ATOM 0 HG SER A 5 6.930 8.162 -8.809 1.00 0.00 H new ATOM 48 N SER A 6 8.842 11.111 -5.944 1.00 0.00 N ATOM 49 CA SER A 6 8.126 11.834 -4.899 1.00 0.00 C ATOM 50 C SER A 6 6.633 11.525 -4.951 1.00 0.00 C ATOM 51 O SER A 6 6.025 11.519 -6.020 1.00 0.00 O ATOM 52 CB SER A 6 8.352 13.340 -5.045 1.00 0.00 C ATOM 53 OG SER A 6 7.641 13.857 -6.157 1.00 0.00 O ATOM 0 H SER A 6 9.367 11.706 -6.585 1.00 0.00 H new ATOM 0 HA SER A 6 8.514 11.508 -3.934 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.031 13.849 -4.136 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.417 13.541 -5.164 1.00 0.00 H new ATOM 0 HG SER A 6 7.800 14.821 -6.228 1.00 0.00 H new ATOM 59 N GLY A 7 6.047 11.267 -3.785 1.00 0.00 N ATOM 60 CA GLY A 7 4.630 10.960 -3.718 1.00 0.00 C ATOM 61 C GLY A 7 4.055 11.178 -2.333 1.00 0.00 C ATOM 62 O GLY A 7 4.582 11.971 -1.553 1.00 0.00 O ATOM 0 H GLY A 7 6.529 11.265 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.092 11.582 -4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.471 9.923 -4.015 1.00 0.00 H new ATOM 66 N MET A 8 2.969 10.475 -2.027 1.00 0.00 N ATOM 67 CA MET A 8 2.321 10.597 -0.727 1.00 0.00 C ATOM 68 C MET A 8 2.652 9.400 0.159 1.00 0.00 C ATOM 69 O MET A 8 2.897 8.300 -0.335 1.00 0.00 O ATOM 70 CB MET A 8 0.806 10.717 -0.897 1.00 0.00 C ATOM 71 CG MET A 8 0.381 11.910 -1.739 1.00 0.00 C ATOM 72 SD MET A 8 -1.243 12.542 -1.278 1.00 0.00 S ATOM 73 CE MET A 8 -2.001 12.733 -2.890 1.00 0.00 C ATOM 0 H MET A 8 2.520 9.815 -2.662 1.00 0.00 H new ATOM 0 HA MET A 8 2.697 11.499 -0.245 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.427 9.805 -1.357 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.343 10.794 0.087 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.119 12.705 -1.634 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.370 11.622 -2.790 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.081 12.821 -2.776 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.612 13.631 -3.371 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.771 11.863 -3.505 1.00 0.00 H new ATOM 83 N GLU A 9 2.657 9.623 1.470 1.00 0.00 N ATOM 84 CA GLU A 9 2.958 8.562 2.423 1.00 0.00 C ATOM 85 C GLU A 9 1.676 7.967 2.999 1.00 0.00 C ATOM 86 O GLU A 9 0.702 8.679 3.241 1.00 0.00 O ATOM 87 CB GLU A 9 3.838 9.097 3.555 1.00 0.00 C ATOM 88 CG GLU A 9 5.243 9.467 3.111 1.00 0.00 C ATOM 89 CD GLU A 9 5.988 10.281 4.151 1.00 0.00 C ATOM 90 OE1 GLU A 9 5.581 11.434 4.403 1.00 0.00 O ATOM 91 OE2 GLU A 9 6.978 9.766 4.711 1.00 0.00 O ATOM 0 H GLU A 9 2.456 10.528 1.895 1.00 0.00 H new ATOM 0 HA GLU A 9 3.497 7.776 1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.361 9.975 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.901 8.345 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.804 8.557 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.189 10.034 2.182 1.00 0.00 H new ATOM 98 N LEU A 10 1.685 6.656 3.215 1.00 0.00 N ATOM 99 CA LEU A 10 0.523 5.963 3.761 1.00 0.00 C ATOM 100 C LEU A 10 0.926 5.050 4.915 1.00 0.00 C ATOM 101 O LEU A 10 1.739 4.140 4.747 1.00 0.00 O ATOM 102 CB LEU A 10 -0.170 5.147 2.669 1.00 0.00 C ATOM 103 CG LEU A 10 -1.656 4.859 2.886 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.475 6.130 2.722 1.00 0.00 C ATOM 105 CD2 LEU A 10 -2.137 3.784 1.923 1.00 0.00 C ATOM 0 H LEU A 10 2.484 6.052 3.021 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.171 6.713 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.057 5.675 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.353 4.196 2.567 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.791 4.493 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.530 5.906 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.148 6.870 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.335 6.526 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.197 3.592 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.988 4.121 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.571 2.867 2.089 1.00 0.00 H new ATOM 117 N LYS A 11 0.352 5.298 6.087 1.00 0.00 N ATOM 118 CA LYS A 11 0.648 4.497 7.269 1.00 0.00 C ATOM 119 C LYS A 11 -0.335 3.338 7.401 1.00 0.00 C ATOM 120 O LYS A 11 -1.519 3.542 7.668 1.00 0.00 O ATOM 121 CB LYS A 11 0.597 5.368 8.526 1.00 0.00 C ATOM 122 CG LYS A 11 1.893 6.110 8.804 1.00 0.00 C ATOM 123 CD LYS A 11 1.705 7.180 9.867 1.00 0.00 C ATOM 124 CE LYS A 11 1.166 8.471 9.269 1.00 0.00 C ATOM 125 NZ LYS A 11 0.342 9.233 10.247 1.00 0.00 N ATOM 0 H LYS A 11 -0.321 6.048 6.244 1.00 0.00 H new ATOM 0 HA LYS A 11 1.652 4.088 7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.212 6.092 8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.356 4.740 9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.656 5.403 9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.255 6.569 7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.018 6.818 10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.657 7.376 10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.998 9.091 8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.565 8.241 8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.007 10.106 9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.466 8.651 10.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.922 9.475 11.076 1.00 0.00 H new ATOM 139 N VAL A 12 0.164 2.120 7.213 1.00 0.00 N ATOM 140 CA VAL A 12 -0.670 0.928 7.314 1.00 0.00 C ATOM 141 C VAL A 12 -0.036 -0.110 8.233 1.00 0.00 C ATOM 142 O VAL A 12 1.037 -0.638 7.942 1.00 0.00 O ATOM 143 CB VAL A 12 -0.912 0.294 5.931 1.00 0.00 C ATOM 144 CG1 VAL A 12 -2.082 -0.677 5.986 1.00 0.00 C ATOM 145 CG2 VAL A 12 -1.153 1.373 4.886 1.00 0.00 C ATOM 0 H VAL A 12 1.142 1.933 6.990 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.625 1.244 7.733 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.021 -0.264 5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.238 -1.115 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.865 -1.468 6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.982 -0.145 6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.322 0.908 3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.028 1.960 5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.282 2.025 4.829 1.00 0.00 H new ATOM 155 N TRP A 13 -0.707 -0.398 9.342 1.00 0.00 N ATOM 156 CA TRP A 13 -0.210 -1.375 10.304 1.00 0.00 C ATOM 157 C TRP A 13 -0.171 -2.771 9.692 1.00 0.00 C ATOM 158 O TRP A 13 -1.178 -3.266 9.188 1.00 0.00 O ATOM 159 CB TRP A 13 -1.086 -1.378 11.558 1.00 0.00 C ATOM 160 CG TRP A 13 -0.952 -0.132 12.379 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.682 1.015 12.254 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.030 0.093 13.451 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.270 1.940 13.183 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.258 1.398 13.930 1.00 0.00 C ATOM 165 CE3 TRP A 13 0.965 -0.681 14.054 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.473 1.943 14.982 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.690 -0.139 15.098 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.441 1.163 15.554 1.00 0.00 C ATOM 0 H TRP A 13 -1.596 0.031 9.598 1.00 0.00 H new ATOM 0 HA TRP A 13 0.806 -1.092 10.580 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.128 -1.500 11.264 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.825 -2.239 12.173 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.468 1.172 11.531 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.655 2.878 13.298 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.164 -1.685 13.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.283 2.946 15.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.462 -0.728 15.571 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.024 1.558 16.373 1.00 0.00 H new ATOM 179 N VAL A 14 0.999 -3.401 9.741 1.00 0.00 N ATOM 180 CA VAL A 14 1.168 -4.741 9.192 1.00 0.00 C ATOM 181 C VAL A 14 1.740 -5.694 10.236 1.00 0.00 C ATOM 182 O VAL A 14 2.871 -5.525 10.692 1.00 0.00 O ATOM 183 CB VAL A 14 2.093 -4.731 7.960 1.00 0.00 C ATOM 184 CG1 VAL A 14 2.288 -6.142 7.427 1.00 0.00 C ATOM 185 CG2 VAL A 14 1.532 -3.817 6.881 1.00 0.00 C ATOM 0 H VAL A 14 1.843 -3.005 10.155 1.00 0.00 H new ATOM 0 HA VAL A 14 0.179 -5.087 8.891 1.00 0.00 H new ATOM 0 HB VAL A 14 3.067 -4.345 8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.944 -6.115 6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.737 -6.764 8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.323 -6.559 7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.198 -3.822 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.546 -4.171 6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.450 -2.802 7.270 1.00 0.00 H new ATOM 195 N ASP A 15 0.952 -6.696 10.609 1.00 0.00 N ATOM 196 CA ASP A 15 1.381 -7.678 11.599 1.00 0.00 C ATOM 197 C ASP A 15 1.864 -6.991 12.872 1.00 0.00 C ATOM 198 O ASP A 15 2.867 -7.389 13.462 1.00 0.00 O ATOM 199 CB ASP A 15 2.492 -8.558 11.026 1.00 0.00 C ATOM 200 CG ASP A 15 1.997 -9.470 9.920 1.00 0.00 C ATOM 201 OD1 ASP A 15 1.566 -8.948 8.871 1.00 0.00 O ATOM 202 OD2 ASP A 15 2.040 -10.704 10.105 1.00 0.00 O ATOM 0 H ASP A 15 0.013 -6.850 10.241 1.00 0.00 H new ATOM 0 HA ASP A 15 0.525 -8.304 11.849 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.291 -7.924 10.640 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.922 -9.162 11.825 1.00 0.00 H new ATOM 207 N GLY A 16 1.143 -5.954 13.290 1.00 0.00 N ATOM 208 CA GLY A 16 1.515 -5.228 14.490 1.00 0.00 C ATOM 209 C GLY A 16 2.776 -4.407 14.304 1.00 0.00 C ATOM 210 O GLY A 16 3.503 -4.147 15.262 1.00 0.00 O ATOM 0 H GLY A 16 0.309 -5.604 12.819 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.696 -4.570 14.781 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.662 -5.934 15.307 1.00 0.00 H new ATOM 214 N VAL A 17 3.037 -3.999 13.066 1.00 0.00 N ATOM 215 CA VAL A 17 4.219 -3.204 12.756 1.00 0.00 C ATOM 216 C VAL A 17 3.892 -2.098 11.760 1.00 0.00 C ATOM 217 O VAL A 17 3.398 -2.363 10.665 1.00 0.00 O ATOM 218 CB VAL A 17 5.350 -4.079 12.183 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.559 -3.226 11.830 1.00 0.00 C ATOM 220 CG2 VAL A 17 5.729 -5.173 13.169 1.00 0.00 C ATOM 0 H VAL A 17 2.445 -4.206 12.261 1.00 0.00 H new ATOM 0 HA VAL A 17 4.554 -2.758 13.692 1.00 0.00 H new ATOM 0 HB VAL A 17 4.991 -4.553 11.270 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.347 -3.862 11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.275 -2.483 11.085 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.922 -2.721 12.725 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.529 -5.781 12.748 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.069 -4.721 14.101 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.861 -5.802 13.366 1.00 0.00 H new ATOM 230 N GLN A 18 4.172 -0.858 12.148 1.00 0.00 N ATOM 231 CA GLN A 18 3.907 0.289 11.287 1.00 0.00 C ATOM 232 C GLN A 18 4.770 0.238 10.031 1.00 0.00 C ATOM 233 O GLN A 18 5.988 0.078 10.109 1.00 0.00 O ATOM 234 CB GLN A 18 4.166 1.592 12.045 1.00 0.00 C ATOM 235 CG GLN A 18 3.812 2.839 11.251 1.00 0.00 C ATOM 236 CD GLN A 18 2.319 2.991 11.037 1.00 0.00 C ATOM 237 OE1 GLN A 18 1.731 2.320 10.188 1.00 0.00 O ATOM 238 NE2 GLN A 18 1.698 3.876 11.808 1.00 0.00 N ATOM 0 H GLN A 18 4.582 -0.622 13.052 1.00 0.00 H new ATOM 0 HA GLN A 18 2.860 0.252 10.988 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.590 1.585 12.970 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.218 1.636 12.325 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.191 3.717 11.773 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.312 2.803 10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.226 4.410 12.499 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.693 4.022 11.710 1.00 0.00 H new ATOM 247 N ARG A 19 4.130 0.375 8.874 1.00 0.00 N ATOM 248 CA ARG A 19 4.839 0.342 7.600 1.00 0.00 C ATOM 249 C ARG A 19 4.373 1.475 6.690 1.00 0.00 C ATOM 250 O ARG A 19 3.202 1.543 6.318 1.00 0.00 O ATOM 251 CB ARG A 19 4.624 -1.004 6.907 1.00 0.00 C ATOM 252 CG ARG A 19 5.380 -2.152 7.558 1.00 0.00 C ATOM 253 CD ARG A 19 6.872 -2.066 7.278 1.00 0.00 C ATOM 254 NE ARG A 19 7.213 -2.590 5.958 1.00 0.00 N ATOM 255 CZ ARG A 19 8.446 -2.927 5.597 1.00 0.00 C ATOM 256 NH1 ARG A 19 9.450 -2.795 6.453 1.00 0.00 N ATOM 257 NH2 ARG A 19 8.677 -3.397 4.378 1.00 0.00 N ATOM 0 H ARG A 19 3.122 0.510 8.793 1.00 0.00 H new ATOM 0 HA ARG A 19 5.902 0.473 7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.559 -1.236 6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.934 -0.920 5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.209 -2.138 8.634 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.993 -3.101 7.187 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.195 -1.027 7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.417 -2.623 8.041 1.00 0.00 H new ATOM 0 HE ARG A 19 6.463 -2.703 5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.276 -2.434 7.391 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.396 -3.054 6.173 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.907 -3.500 3.717 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.624 -3.655 4.102 1.00 0.00 H new ATOM 271 N ILE A 20 5.298 2.361 6.337 1.00 0.00 N ATOM 272 CA ILE A 20 4.983 3.490 5.470 1.00 0.00 C ATOM 273 C ILE A 20 5.453 3.235 4.042 1.00 0.00 C ATOM 274 O ILE A 20 6.537 2.694 3.822 1.00 0.00 O ATOM 275 CB ILE A 20 5.623 4.792 5.986 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.111 5.117 7.390 1.00 0.00 C ATOM 277 CG2 ILE A 20 5.332 5.940 5.031 1.00 0.00 C ATOM 278 CD1 ILE A 20 5.672 6.403 7.956 1.00 0.00 C ATOM 0 H ILE A 20 6.272 2.319 6.638 1.00 0.00 H new ATOM 0 HA ILE A 20 3.899 3.601 5.478 1.00 0.00 H new ATOM 0 HB ILE A 20 6.703 4.653 6.037 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.023 5.185 7.364 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.363 4.295 8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.791 6.853 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.742 5.708 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.254 6.082 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.265 6.569 8.954 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.758 6.332 8.014 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.397 7.236 7.309 1.00 0.00 H new ATOM 290 N VAL A 21 4.632 3.631 3.075 1.00 0.00 N ATOM 291 CA VAL A 21 4.965 3.448 1.667 1.00 0.00 C ATOM 292 C VAL A 21 5.271 4.783 0.997 1.00 0.00 C ATOM 293 O VAL A 21 4.515 5.746 1.135 1.00 0.00 O ATOM 294 CB VAL A 21 3.821 2.754 0.905 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.170 2.612 -0.569 1.00 0.00 C ATOM 296 CG2 VAL A 21 3.516 1.398 1.523 1.00 0.00 C ATOM 0 H VAL A 21 3.732 4.081 3.240 1.00 0.00 H new ATOM 0 HA VAL A 21 5.852 2.815 1.631 1.00 0.00 H new ATOM 0 HB VAL A 21 2.927 3.373 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.350 2.119 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.334 3.599 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.076 2.015 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.705 0.921 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.405 0.769 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.219 1.531 2.563 1.00 0.00 H new ATOM 306 N CYS A 22 6.382 4.834 0.272 1.00 0.00 N ATOM 307 CA CYS A 22 6.789 6.052 -0.420 1.00 0.00 C ATOM 308 C CYS A 22 6.588 5.915 -1.926 1.00 0.00 C ATOM 309 O CYS A 22 6.779 4.840 -2.493 1.00 0.00 O ATOM 310 CB CYS A 22 8.253 6.372 -0.116 1.00 0.00 C ATOM 311 SG CYS A 22 9.431 5.220 -0.862 1.00 0.00 S ATOM 0 H CYS A 22 7.018 4.046 0.148 1.00 0.00 H new ATOM 0 HA CYS A 22 6.164 6.870 -0.061 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.474 7.380 -0.468 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.397 6.373 0.964 1.00 0.00 H new ATOM 0 HG CYS A 22 8.854 4.579 -1.835 1.00 0.00 H new ATOM 317 N GLY A 23 6.199 7.012 -2.569 1.00 0.00 N ATOM 318 CA GLY A 23 5.977 6.992 -4.003 1.00 0.00 C ATOM 319 C GLY A 23 4.576 6.542 -4.366 1.00 0.00 C ATOM 320 O GLY A 23 4.375 5.862 -5.372 1.00 0.00 O ATOM 0 H GLY A 23 6.034 7.914 -2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.152 7.988 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.702 6.326 -4.471 1.00 0.00 H new ATOM 324 N VAL A 24 3.602 6.922 -3.544 1.00 0.00 N ATOM 325 CA VAL A 24 2.212 6.552 -3.783 1.00 0.00 C ATOM 326 C VAL A 24 1.420 7.728 -4.345 1.00 0.00 C ATOM 327 O VAL A 24 1.296 8.771 -3.703 1.00 0.00 O ATOM 328 CB VAL A 24 1.532 6.059 -2.492 1.00 0.00 C ATOM 329 CG1 VAL A 24 0.094 5.647 -2.770 1.00 0.00 C ATOM 330 CG2 VAL A 24 2.317 4.907 -1.884 1.00 0.00 C ATOM 0 H VAL A 24 3.750 7.486 -2.707 1.00 0.00 H new ATOM 0 HA VAL A 24 2.221 5.741 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 24 1.518 6.878 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.371 5.301 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.461 6.501 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.082 4.843 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.823 4.571 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.364 4.083 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.327 5.240 -1.647 1.00 0.00 H new ATOM 340 N THR A 25 0.884 7.552 -5.549 1.00 0.00 N ATOM 341 CA THR A 25 0.104 8.598 -6.198 1.00 0.00 C ATOM 342 C THR A 25 -1.389 8.297 -6.124 1.00 0.00 C ATOM 343 O THR A 25 -1.797 7.136 -6.122 1.00 0.00 O ATOM 344 CB THR A 25 0.509 8.766 -7.675 1.00 0.00 C ATOM 345 OG1 THR A 25 0.500 7.495 -8.333 1.00 0.00 O ATOM 346 CG2 THR A 25 1.891 9.392 -7.788 1.00 0.00 C ATOM 0 H THR A 25 0.976 6.695 -6.094 1.00 0.00 H new ATOM 0 HA THR A 25 0.312 9.525 -5.664 1.00 0.00 H new ATOM 0 HB THR A 25 -0.213 9.427 -8.154 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.757 7.611 -9.272 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.156 9.501 -8.840 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.886 10.372 -7.311 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.622 8.752 -7.294 1.00 0.00 H new ATOM 354 N GLU A 26 -2.198 9.350 -6.063 1.00 0.00 N ATOM 355 CA GLU A 26 -3.646 9.196 -5.988 1.00 0.00 C ATOM 356 C GLU A 26 -4.129 8.120 -6.956 1.00 0.00 C ATOM 357 O GLU A 26 -5.022 7.336 -6.634 1.00 0.00 O ATOM 358 CB GLU A 26 -4.338 10.525 -6.298 1.00 0.00 C ATOM 359 CG GLU A 26 -3.923 11.658 -5.376 1.00 0.00 C ATOM 360 CD GLU A 26 -4.644 12.956 -5.683 1.00 0.00 C ATOM 361 OE1 GLU A 26 -4.783 13.289 -6.879 1.00 0.00 O ATOM 362 OE2 GLU A 26 -5.071 13.638 -4.728 1.00 0.00 O ATOM 0 H GLU A 26 -1.876 10.318 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.902 8.889 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.119 10.807 -7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.417 10.388 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.122 11.372 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.848 11.815 -5.462 1.00 0.00 H new ATOM 369 N VAL A 27 -3.533 8.089 -8.143 1.00 0.00 N ATOM 370 CA VAL A 27 -3.902 7.110 -9.159 1.00 0.00 C ATOM 371 C VAL A 27 -3.771 5.688 -8.624 1.00 0.00 C ATOM 372 O VAL A 27 -4.592 4.821 -8.925 1.00 0.00 O ATOM 373 CB VAL A 27 -3.031 7.254 -10.420 1.00 0.00 C ATOM 374 CG1 VAL A 27 -3.409 6.204 -11.454 1.00 0.00 C ATOM 375 CG2 VAL A 27 -3.160 8.655 -10.999 1.00 0.00 C ATOM 0 H VAL A 27 -2.792 8.731 -8.425 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.942 7.303 -9.421 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.989 7.095 -10.141 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.782 6.322 -12.338 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.260 5.209 -11.034 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.456 6.327 -11.732 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.538 8.739 -11.890 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.200 8.845 -11.264 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.835 9.386 -10.259 1.00 0.00 H new ATOM 385 N THR A 28 -2.732 5.455 -7.827 1.00 0.00 N ATOM 386 CA THR A 28 -2.493 4.138 -7.250 1.00 0.00 C ATOM 387 C THR A 28 -3.747 3.598 -6.573 1.00 0.00 C ATOM 388 O THR A 28 -4.237 4.172 -5.599 1.00 0.00 O ATOM 389 CB THR A 28 -1.345 4.175 -6.223 1.00 0.00 C ATOM 390 OG1 THR A 28 -0.167 4.725 -6.825 1.00 0.00 O ATOM 391 CG2 THR A 28 -1.046 2.780 -5.695 1.00 0.00 C ATOM 0 H THR A 28 -2.043 6.161 -7.567 1.00 0.00 H new ATOM 0 HA THR A 28 -2.215 3.479 -8.072 1.00 0.00 H new ATOM 0 HB THR A 28 -1.654 4.804 -5.388 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.558 4.747 -6.166 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.232 2.831 -4.972 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.936 2.375 -5.212 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.756 2.132 -6.522 1.00 0.00 H new ATOM 399 N THR A 29 -4.264 2.489 -7.093 1.00 0.00 N ATOM 400 CA THR A 29 -5.462 1.871 -6.539 1.00 0.00 C ATOM 401 C THR A 29 -5.164 1.188 -5.209 1.00 0.00 C ATOM 402 O THR A 29 -4.006 0.923 -4.883 1.00 0.00 O ATOM 403 CB THR A 29 -6.062 0.838 -7.511 1.00 0.00 C ATOM 404 OG1 THR A 29 -5.125 -0.221 -7.740 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.431 1.490 -8.835 1.00 0.00 C ATOM 0 H THR A 29 -3.871 2.000 -7.898 1.00 0.00 H new ATOM 0 HA THR A 29 -6.185 2.671 -6.379 1.00 0.00 H new ATOM 0 HB THR A 29 -6.967 0.431 -7.060 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.515 -0.875 -8.358 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.853 0.740 -9.505 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.166 2.276 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.539 1.922 -9.289 1.00 0.00 H new ATOM 413 N CYS A 30 -6.214 0.905 -4.447 1.00 0.00 N ATOM 414 CA CYS A 30 -6.064 0.252 -3.151 1.00 0.00 C ATOM 415 C CYS A 30 -5.205 -1.003 -3.271 1.00 0.00 C ATOM 416 O CYS A 30 -4.412 -1.311 -2.382 1.00 0.00 O ATOM 417 CB CYS A 30 -7.434 -0.107 -2.575 1.00 0.00 C ATOM 418 SG CYS A 30 -8.308 1.288 -1.827 1.00 0.00 S ATOM 0 H CYS A 30 -7.178 1.117 -4.704 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.566 0.949 -2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.052 -0.525 -3.369 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.308 -0.887 -1.825 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.585 1.162 -2.035 1.00 0.00 H new ATOM 424 N GLN A 31 -5.371 -1.724 -4.375 1.00 0.00 N ATOM 425 CA GLN A 31 -4.612 -2.947 -4.610 1.00 0.00 C ATOM 426 C GLN A 31 -3.121 -2.649 -4.727 1.00 0.00 C ATOM 427 O GLN A 31 -2.343 -2.969 -3.829 1.00 0.00 O ATOM 428 CB GLN A 31 -5.106 -3.643 -5.879 1.00 0.00 C ATOM 429 CG GLN A 31 -4.302 -4.880 -6.247 1.00 0.00 C ATOM 430 CD GLN A 31 -4.971 -5.712 -7.323 1.00 0.00 C ATOM 431 OE1 GLN A 31 -5.606 -6.727 -7.034 1.00 0.00 O ATOM 432 NE2 GLN A 31 -4.833 -5.286 -8.573 1.00 0.00 N ATOM 0 H GLN A 31 -6.024 -1.483 -5.121 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.766 -3.609 -3.758 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.150 -3.925 -5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.070 -2.937 -6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.313 -4.577 -6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.157 -5.492 -5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.298 -4.439 -8.767 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.262 -5.805 -9.339 1.00 0.00 H new ATOM 441 N GLU A 32 -2.731 -2.034 -5.839 1.00 0.00 N ATOM 442 CA GLU A 32 -1.332 -1.694 -6.073 1.00 0.00 C ATOM 443 C GLU A 32 -0.640 -1.309 -4.768 1.00 0.00 C ATOM 444 O GLU A 32 0.551 -1.559 -4.587 1.00 0.00 O ATOM 445 CB GLU A 32 -1.224 -0.546 -7.078 1.00 0.00 C ATOM 446 CG GLU A 32 -1.534 -0.958 -8.508 1.00 0.00 C ATOM 447 CD GLU A 32 -0.346 -1.596 -9.202 1.00 0.00 C ATOM 448 OE1 GLU A 32 0.715 -0.943 -9.283 1.00 0.00 O ATOM 449 OE2 GLU A 32 -0.479 -2.749 -9.663 1.00 0.00 O ATOM 0 H GLU A 32 -3.363 -1.761 -6.591 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.835 -2.573 -6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.907 0.250 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.216 -0.133 -7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.369 -1.659 -8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.853 -0.082 -9.073 1.00 0.00 H new ATOM 456 N VAL A 33 -1.397 -0.698 -3.862 1.00 0.00 N ATOM 457 CA VAL A 33 -0.859 -0.278 -2.574 1.00 0.00 C ATOM 458 C VAL A 33 -0.381 -1.476 -1.761 1.00 0.00 C ATOM 459 O VAL A 33 0.767 -1.524 -1.320 1.00 0.00 O ATOM 460 CB VAL A 33 -1.905 0.500 -1.755 1.00 0.00 C ATOM 461 CG1 VAL A 33 -1.315 0.956 -0.429 1.00 0.00 C ATOM 462 CG2 VAL A 33 -2.429 1.686 -2.550 1.00 0.00 C ATOM 0 H VAL A 33 -2.385 -0.483 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.013 0.377 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.742 -0.165 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.069 1.504 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.993 0.087 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.459 1.605 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.167 2.225 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.603 2.354 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.893 1.331 -3.470 1.00 0.00 H new ATOM 472 N VAL A 34 -1.271 -2.445 -1.566 1.00 0.00 N ATOM 473 CA VAL A 34 -0.941 -3.645 -0.807 1.00 0.00 C ATOM 474 C VAL A 34 0.154 -4.449 -1.499 1.00 0.00 C ATOM 475 O VAL A 34 0.911 -5.172 -0.851 1.00 0.00 O ATOM 476 CB VAL A 34 -2.177 -4.543 -0.612 1.00 0.00 C ATOM 477 CG1 VAL A 34 -3.350 -3.731 -0.087 1.00 0.00 C ATOM 478 CG2 VAL A 34 -2.540 -5.239 -1.916 1.00 0.00 C ATOM 0 H VAL A 34 -2.226 -2.422 -1.924 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.584 -3.315 0.168 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.937 -5.307 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.214 -4.383 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.084 -3.284 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.595 -2.943 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.415 -5.870 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.762 -4.492 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.703 -5.855 -2.245 1.00 0.00 H new ATOM 488 N ILE A 35 0.233 -4.317 -2.819 1.00 0.00 N ATOM 489 CA ILE A 35 1.237 -5.029 -3.599 1.00 0.00 C ATOM 490 C ILE A 35 2.644 -4.726 -3.094 1.00 0.00 C ATOM 491 O ILE A 35 3.398 -5.633 -2.745 1.00 0.00 O ATOM 492 CB ILE A 35 1.152 -4.667 -5.093 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.244 -4.980 -5.637 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.214 -5.417 -5.882 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.574 -6.456 -5.640 1.00 0.00 C ATOM 0 H ILE A 35 -0.387 -3.723 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 35 1.031 -6.093 -3.479 1.00 0.00 H new ATOM 0 HB ILE A 35 1.334 -3.598 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.986 -4.451 -5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.323 -4.596 -6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.140 -5.150 -6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.202 -5.149 -5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.062 -6.490 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.578 -6.604 -6.038 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.145 -6.988 -6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.527 -6.841 -4.621 1.00 0.00 H new ATOM 507 N ALA A 36 2.988 -3.443 -3.055 1.00 0.00 N ATOM 508 CA ALA A 36 4.302 -3.019 -2.588 1.00 0.00 C ATOM 509 C ALA A 36 4.648 -3.670 -1.253 1.00 0.00 C ATOM 510 O ALA A 36 5.779 -4.107 -1.038 1.00 0.00 O ATOM 511 CB ALA A 36 4.356 -1.503 -2.467 1.00 0.00 C ATOM 0 H ALA A 36 2.375 -2.679 -3.341 1.00 0.00 H new ATOM 0 HA ALA A 36 5.041 -3.341 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.343 -1.201 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.163 -1.053 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.601 -1.168 -1.756 1.00 0.00 H new ATOM 517 N LEU A 37 3.667 -3.732 -0.359 1.00 0.00 N ATOM 518 CA LEU A 37 3.867 -4.330 0.956 1.00 0.00 C ATOM 519 C LEU A 37 4.185 -5.817 0.836 1.00 0.00 C ATOM 520 O LEU A 37 5.188 -6.292 1.367 1.00 0.00 O ATOM 521 CB LEU A 37 2.622 -4.132 1.823 1.00 0.00 C ATOM 522 CG LEU A 37 2.574 -2.842 2.643 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.717 -2.803 3.645 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.622 -1.627 1.729 1.00 0.00 C ATOM 0 H LEU A 37 2.725 -3.375 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 37 4.714 -3.833 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.745 -4.161 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.542 -4.977 2.507 1.00 0.00 H new ATOM 0 HG LEU A 37 1.634 -2.820 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.666 -1.878 4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.637 -3.654 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.668 -2.849 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.587 -0.718 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.545 -1.644 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.768 -1.647 1.052 1.00 0.00 H new ATOM 536 N ALA A 38 3.326 -6.545 0.131 1.00 0.00 N ATOM 537 CA ALA A 38 3.518 -7.977 -0.063 1.00 0.00 C ATOM 538 C ALA A 38 4.907 -8.275 -0.617 1.00 0.00 C ATOM 539 O ALA A 38 5.597 -9.174 -0.137 1.00 0.00 O ATOM 540 CB ALA A 38 2.448 -8.532 -0.991 1.00 0.00 C ATOM 0 H ALA A 38 2.490 -6.167 -0.315 1.00 0.00 H new ATOM 0 HA ALA A 38 3.430 -8.465 0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.604 -9.602 -1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.464 -8.361 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.509 -8.031 -1.957 1.00 0.00 H new ATOM 546 N GLN A 39 5.310 -7.514 -1.630 1.00 0.00 N ATOM 547 CA GLN A 39 6.617 -7.699 -2.250 1.00 0.00 C ATOM 548 C GLN A 39 7.736 -7.485 -1.235 1.00 0.00 C ATOM 549 O GLN A 39 8.706 -8.242 -1.198 1.00 0.00 O ATOM 550 CB GLN A 39 6.788 -6.735 -3.425 1.00 0.00 C ATOM 551 CG GLN A 39 5.807 -6.980 -4.561 1.00 0.00 C ATOM 552 CD GLN A 39 6.220 -8.137 -5.449 1.00 0.00 C ATOM 553 OE1 GLN A 39 5.593 -9.196 -5.440 1.00 0.00 O ATOM 554 NE2 GLN A 39 7.281 -7.940 -6.224 1.00 0.00 N ATOM 0 H GLN A 39 4.751 -6.765 -2.038 1.00 0.00 H new ATOM 0 HA GLN A 39 6.675 -8.723 -2.618 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.667 -5.713 -3.066 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.805 -6.820 -3.809 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.819 -7.180 -4.146 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.722 -6.076 -5.164 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.771 -7.046 -6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.605 -8.683 -6.843 1.00 0.00 H new ATOM 563 N ALA A 40 7.594 -6.450 -0.414 1.00 0.00 N ATOM 564 CA ALA A 40 8.591 -6.138 0.602 1.00 0.00 C ATOM 565 C ALA A 40 8.762 -7.298 1.577 1.00 0.00 C ATOM 566 O ALA A 40 9.876 -7.772 1.803 1.00 0.00 O ATOM 567 CB ALA A 40 8.206 -4.870 1.349 1.00 0.00 C ATOM 0 H ALA A 40 6.798 -5.813 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 40 9.545 -5.975 0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.960 -4.650 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.143 -4.039 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.239 -5.012 1.832 1.00 0.00 H new ATOM 573 N ILE A 41 7.653 -7.749 2.153 1.00 0.00 N ATOM 574 CA ILE A 41 7.681 -8.853 3.104 1.00 0.00 C ATOM 575 C ILE A 41 7.991 -10.173 2.405 1.00 0.00 C ATOM 576 O ILE A 41 8.442 -11.129 3.034 1.00 0.00 O ATOM 577 CB ILE A 41 6.342 -8.985 3.854 1.00 0.00 C ATOM 578 CG1 ILE A 41 5.197 -9.200 2.862 1.00 0.00 C ATOM 579 CG2 ILE A 41 6.088 -7.750 4.705 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.893 -9.592 3.521 1.00 0.00 C ATOM 0 H ILE A 41 6.724 -7.367 1.978 1.00 0.00 H new ATOM 0 HA ILE A 41 8.470 -8.630 3.822 1.00 0.00 H new ATOM 0 HB ILE A 41 6.395 -9.852 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.045 -8.284 2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.483 -9.975 2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.138 -7.858 5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.892 -7.637 5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.051 -6.868 4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.126 -9.728 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.028 -10.524 4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.583 -8.807 4.211 1.00 0.00 H new ATOM 592 N GLY A 42 7.748 -10.216 1.099 1.00 0.00 N ATOM 593 CA GLY A 42 8.009 -11.422 0.335 1.00 0.00 C ATOM 594 C GLY A 42 6.781 -12.300 0.201 1.00 0.00 C ATOM 595 O GLY A 42 6.465 -12.776 -0.890 1.00 0.00 O ATOM 0 H GLY A 42 7.375 -9.437 0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.367 -11.149 -0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.806 -11.988 0.817 1.00 0.00 H new ATOM 599 N ARG A 43 6.087 -12.518 1.313 1.00 0.00 N ATOM 600 CA ARG A 43 4.888 -13.348 1.316 1.00 0.00 C ATOM 601 C ARG A 43 3.931 -12.924 0.206 1.00 0.00 C ATOM 602 O ARG A 43 3.301 -11.869 0.283 1.00 0.00 O ATOM 603 CB ARG A 43 4.185 -13.261 2.671 1.00 0.00 C ATOM 604 CG ARG A 43 5.042 -13.735 3.834 1.00 0.00 C ATOM 605 CD ARG A 43 4.253 -13.760 5.134 1.00 0.00 C ATOM 606 NE ARG A 43 4.989 -14.421 6.208 1.00 0.00 N ATOM 607 CZ ARG A 43 5.938 -13.827 6.922 1.00 0.00 C ATOM 608 NH1 ARG A 43 6.264 -12.565 6.678 1.00 0.00 N ATOM 609 NH2 ARG A 43 6.563 -14.494 7.884 1.00 0.00 N ATOM 0 H ARG A 43 6.334 -12.131 2.224 1.00 0.00 H new ATOM 0 HA ARG A 43 5.190 -14.380 1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.885 -12.228 2.849 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.273 -13.857 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.426 -14.733 3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.905 -13.078 3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.014 -12.739 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.306 -14.275 4.973 1.00 0.00 H new ATOM 0 HE ARG A 43 4.762 -15.392 6.421 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.785 -12.048 5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.993 -12.111 7.228 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.315 -15.465 8.076 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.292 -14.036 8.431 1.00 0.00 H new ATOM 623 N THR A 44 3.827 -13.753 -0.828 1.00 0.00 N ATOM 624 CA THR A 44 2.949 -13.464 -1.955 1.00 0.00 C ATOM 625 C THR A 44 1.509 -13.857 -1.645 1.00 0.00 C ATOM 626 O THR A 44 1.261 -14.790 -0.883 1.00 0.00 O ATOM 627 CB THR A 44 3.408 -14.200 -3.228 1.00 0.00 C ATOM 628 OG1 THR A 44 2.586 -13.818 -4.337 1.00 0.00 O ATOM 629 CG2 THR A 44 3.340 -15.707 -3.036 1.00 0.00 C ATOM 0 H THR A 44 4.340 -14.631 -0.908 1.00 0.00 H new ATOM 0 HA THR A 44 3.000 -12.389 -2.128 1.00 0.00 H new ATOM 0 HB THR A 44 4.442 -13.922 -3.429 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.885 -14.289 -5.143 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.669 -16.205 -3.948 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.988 -15.998 -2.210 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.314 -15.999 -2.813 1.00 0.00 H new ATOM 637 N GLY A 45 0.563 -13.139 -2.242 1.00 0.00 N ATOM 638 CA GLY A 45 -0.841 -13.430 -2.017 1.00 0.00 C ATOM 639 C GLY A 45 -1.720 -12.205 -2.178 1.00 0.00 C ATOM 640 O GLY A 45 -1.223 -11.080 -2.240 1.00 0.00 O ATOM 0 H GLY A 45 0.743 -12.361 -2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.166 -14.201 -2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.969 -13.836 -1.013 1.00 0.00 H new ATOM 644 N ARG A 46 -3.029 -12.422 -2.249 1.00 0.00 N ATOM 645 CA ARG A 46 -3.978 -11.327 -2.407 1.00 0.00 C ATOM 646 C ARG A 46 -4.328 -10.712 -1.055 1.00 0.00 C ATOM 647 O ARG A 46 -4.853 -11.389 -0.171 1.00 0.00 O ATOM 648 CB ARG A 46 -5.249 -11.822 -3.099 1.00 0.00 C ATOM 649 CG ARG A 46 -5.990 -10.736 -3.861 1.00 0.00 C ATOM 650 CD ARG A 46 -6.762 -11.309 -5.040 1.00 0.00 C ATOM 651 NE ARG A 46 -7.768 -12.278 -4.615 1.00 0.00 N ATOM 652 CZ ARG A 46 -8.820 -12.615 -5.352 1.00 0.00 C ATOM 653 NH1 ARG A 46 -9.003 -12.064 -6.544 1.00 0.00 N ATOM 654 NH2 ARG A 46 -9.693 -13.506 -4.898 1.00 0.00 N ATOM 0 H ARG A 46 -3.457 -13.347 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.511 -10.560 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.988 -12.624 -3.789 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.917 -12.249 -2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.678 -10.224 -3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.279 -9.991 -4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.246 -10.499 -5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.067 -11.787 -5.731 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.657 -12.720 -3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.335 -11.379 -6.897 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.812 -12.325 -7.108 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.556 -13.933 -3.982 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.501 -13.764 -5.465 1.00 0.00 H new ATOM 668 N TYR A 47 -4.035 -9.425 -0.903 1.00 0.00 N ATOM 669 CA TYR A 47 -4.316 -8.719 0.341 1.00 0.00 C ATOM 670 C TYR A 47 -5.302 -7.578 0.109 1.00 0.00 C ATOM 671 O TYR A 47 -5.677 -7.286 -1.027 1.00 0.00 O ATOM 672 CB TYR A 47 -3.022 -8.174 0.946 1.00 0.00 C ATOM 673 CG TYR A 47 -2.040 -9.252 1.347 1.00 0.00 C ATOM 674 CD1 TYR A 47 -1.205 -9.844 0.408 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.946 -9.677 2.667 1.00 0.00 C ATOM 676 CE1 TYR A 47 -0.308 -10.830 0.770 1.00 0.00 C ATOM 677 CE2 TYR A 47 -1.050 -10.661 3.038 1.00 0.00 C ATOM 678 CZ TYR A 47 -0.234 -11.235 2.086 1.00 0.00 C ATOM 679 OH TYR A 47 0.660 -12.215 2.451 1.00 0.00 O ATOM 0 H TYR A 47 -3.603 -8.850 -1.626 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.765 -9.427 1.038 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.545 -7.510 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.265 -7.572 1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.258 -9.528 -0.623 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.584 -9.231 3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.332 -11.281 0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.989 -10.979 4.068 1.00 0.00 H new ATOM 0 HH TYR A 47 0.586 -12.383 3.414 1.00 0.00 H new ATOM 689 N THR A 48 -5.719 -6.935 1.195 1.00 0.00 N ATOM 690 CA THR A 48 -6.661 -5.826 1.113 1.00 0.00 C ATOM 691 C THR A 48 -6.382 -4.786 2.192 1.00 0.00 C ATOM 692 O THR A 48 -5.640 -5.044 3.140 1.00 0.00 O ATOM 693 CB THR A 48 -8.116 -6.314 1.250 1.00 0.00 C ATOM 694 OG1 THR A 48 -9.019 -5.289 0.822 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.424 -6.701 2.689 1.00 0.00 C ATOM 0 H THR A 48 -5.419 -7.164 2.143 1.00 0.00 H new ATOM 0 HA THR A 48 -6.529 -5.371 0.131 1.00 0.00 H new ATOM 0 HB THR A 48 -8.242 -7.194 0.619 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.941 -5.608 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.457 -7.042 2.761 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.754 -7.502 3.002 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.282 -5.836 3.337 1.00 0.00 H new ATOM 703 N LEU A 49 -6.982 -3.610 2.042 1.00 0.00 N ATOM 704 CA LEU A 49 -6.798 -2.530 3.005 1.00 0.00 C ATOM 705 C LEU A 49 -8.014 -2.402 3.917 1.00 0.00 C ATOM 706 O LEU A 49 -9.155 -2.433 3.456 1.00 0.00 O ATOM 707 CB LEU A 49 -6.552 -1.207 2.276 1.00 0.00 C ATOM 708 CG LEU A 49 -5.234 -1.099 1.509 1.00 0.00 C ATOM 709 CD1 LEU A 49 -5.323 -0.017 0.444 1.00 0.00 C ATOM 710 CD2 LEU A 49 -4.082 -0.818 2.463 1.00 0.00 C ATOM 0 H LEU A 49 -7.600 -3.380 1.263 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.929 -2.767 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.371 -1.043 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.591 -0.400 3.007 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.045 -2.052 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.376 0.045 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.121 -0.261 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.536 0.942 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.152 -0.744 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.264 0.120 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.004 -1.629 3.188 1.00 0.00 H new ATOM 722 N ILE A 50 -7.761 -2.256 5.214 1.00 0.00 N ATOM 723 CA ILE A 50 -8.834 -2.119 6.190 1.00 0.00 C ATOM 724 C ILE A 50 -8.490 -1.071 7.243 1.00 0.00 C ATOM 725 O ILE A 50 -7.571 -1.256 8.039 1.00 0.00 O ATOM 726 CB ILE A 50 -9.129 -3.458 6.893 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.441 -4.543 5.860 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.286 -3.300 7.869 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.226 -5.948 6.377 1.00 0.00 C ATOM 0 H ILE A 50 -6.822 -2.230 5.612 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.721 -1.802 5.641 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.245 -3.760 7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.476 -4.438 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.815 -4.388 4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.483 -4.254 8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.029 -2.554 8.620 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.177 -2.979 7.329 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.466 -6.665 5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.185 -6.071 6.674 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.872 -6.122 7.238 1.00 0.00 H new ATOM 741 N GLU A 51 -9.237 0.029 7.240 1.00 0.00 N ATOM 742 CA GLU A 51 -9.011 1.107 8.196 1.00 0.00 C ATOM 743 C GLU A 51 -9.925 0.959 9.409 1.00 0.00 C ATOM 744 O GLU A 51 -11.138 0.800 9.271 1.00 0.00 O ATOM 745 CB GLU A 51 -9.242 2.465 7.531 1.00 0.00 C ATOM 746 CG GLU A 51 -10.702 2.888 7.502 1.00 0.00 C ATOM 747 CD GLU A 51 -11.554 1.984 6.634 1.00 0.00 C ATOM 748 OE1 GLU A 51 -11.603 0.767 6.911 1.00 0.00 O ATOM 749 OE2 GLU A 51 -12.173 2.493 5.676 1.00 0.00 O ATOM 0 H GLU A 51 -10.003 0.197 6.587 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.976 1.048 8.534 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.663 3.222 8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.862 2.429 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.097 2.887 8.518 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.773 3.911 7.133 1.00 0.00 H new ATOM 756 N LYS A 52 -9.334 1.013 10.598 1.00 0.00 N ATOM 757 CA LYS A 52 -10.093 0.886 11.836 1.00 0.00 C ATOM 758 C LYS A 52 -10.111 2.206 12.601 1.00 0.00 C ATOM 759 O LYS A 52 -9.064 2.721 12.992 1.00 0.00 O ATOM 760 CB LYS A 52 -9.496 -0.216 12.714 1.00 0.00 C ATOM 761 CG LYS A 52 -10.179 -0.355 14.063 1.00 0.00 C ATOM 762 CD LYS A 52 -9.973 -1.741 14.652 1.00 0.00 C ATOM 763 CE LYS A 52 -10.259 -1.760 16.146 1.00 0.00 C ATOM 764 NZ LYS A 52 -9.439 -0.757 16.880 1.00 0.00 N ATOM 0 H LYS A 52 -8.331 1.144 10.730 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.118 0.621 11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.560 -1.166 12.184 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.437 -0.010 12.872 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.787 0.395 14.750 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.246 -0.160 13.954 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.625 -2.453 14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.948 -2.065 14.473 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.317 -1.559 16.316 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.056 -2.755 16.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.112 -1.166 17.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.617 -0.491 16.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.014 0.087 17.073 1.00 0.00 H new ATOM 778 N TRP A 53 -11.306 2.747 12.810 1.00 0.00 N ATOM 779 CA TRP A 53 -11.459 4.006 13.530 1.00 0.00 C ATOM 780 C TRP A 53 -12.622 3.933 14.513 1.00 0.00 C ATOM 781 O TRP A 53 -13.683 3.395 14.195 1.00 0.00 O ATOM 782 CB TRP A 53 -11.679 5.156 12.546 1.00 0.00 C ATOM 783 CG TRP A 53 -12.082 6.438 13.210 1.00 0.00 C ATOM 784 CD1 TRP A 53 -11.251 7.421 13.666 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.416 6.874 13.493 1.00 0.00 C ATOM 786 NE1 TRP A 53 -11.988 8.441 14.217 1.00 0.00 N ATOM 787 CE2 TRP A 53 -13.318 8.130 14.122 1.00 0.00 C ATOM 788 CE3 TRP A 53 -14.683 6.326 13.276 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -14.440 8.845 14.535 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -15.795 7.036 13.686 1.00 0.00 C ATOM 791 CH2 TRP A 53 -15.668 8.285 14.310 1.00 0.00 C ATOM 0 H TRP A 53 -12.182 2.334 12.491 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.543 4.188 14.092 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -10.762 5.321 11.980 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.448 4.869 11.829 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -10.173 7.400 13.603 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -11.606 9.292 14.630 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -14.791 5.364 12.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.344 9.807 15.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.779 6.622 13.523 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -16.557 8.815 14.619 1.00 0.00 H new ATOM 802 N ARG A 54 -12.416 4.477 15.708 1.00 0.00 N ATOM 803 CA ARG A 54 -13.448 4.472 16.738 1.00 0.00 C ATOM 804 C ARG A 54 -14.226 3.160 16.722 1.00 0.00 C ATOM 805 O ARG A 54 -15.448 3.149 16.870 1.00 0.00 O ATOM 806 CB ARG A 54 -14.406 5.648 16.536 1.00 0.00 C ATOM 807 CG ARG A 54 -15.003 6.176 17.830 1.00 0.00 C ATOM 808 CD ARG A 54 -16.372 6.796 17.599 1.00 0.00 C ATOM 809 NE ARG A 54 -16.906 7.412 18.811 1.00 0.00 N ATOM 810 CZ ARG A 54 -17.423 6.720 19.820 1.00 0.00 C ATOM 811 NH1 ARG A 54 -17.476 5.396 19.763 1.00 0.00 N ATOM 812 NH2 ARG A 54 -17.888 7.352 20.890 1.00 0.00 N ATOM 0 H ARG A 54 -11.544 4.927 15.987 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.959 4.573 17.707 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.874 6.457 16.034 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.214 5.338 15.873 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.087 5.363 18.551 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.334 6.919 18.264 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.302 7.547 16.812 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.062 6.029 17.248 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.880 8.429 18.887 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.119 4.906 18.943 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.874 4.868 20.540 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.849 8.370 20.938 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.285 6.820 21.664 1.00 0.00 H new ATOM 826 N ASP A 55 -13.510 2.056 16.541 1.00 0.00 N ATOM 827 CA ASP A 55 -14.132 0.738 16.506 1.00 0.00 C ATOM 828 C ASP A 55 -14.943 0.553 15.226 1.00 0.00 C ATOM 829 O ASP A 55 -16.034 -0.017 15.246 1.00 0.00 O ATOM 830 CB ASP A 55 -15.033 0.543 17.727 1.00 0.00 C ATOM 831 CG ASP A 55 -15.297 -0.920 18.023 1.00 0.00 C ATOM 832 OD1 ASP A 55 -15.993 -1.572 17.217 1.00 0.00 O ATOM 833 OD2 ASP A 55 -14.810 -1.413 19.062 1.00 0.00 O ATOM 0 H ASP A 55 -12.498 2.048 16.416 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.340 -0.011 16.525 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -14.568 1.009 18.596 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.981 1.054 17.561 1.00 0.00 H new ATOM 838 N THR A 56 -14.402 1.041 14.114 1.00 0.00 N ATOM 839 CA THR A 56 -15.075 0.932 12.826 1.00 0.00 C ATOM 840 C THR A 56 -14.111 0.469 11.739 1.00 0.00 C ATOM 841 O THR A 56 -13.293 1.247 11.250 1.00 0.00 O ATOM 842 CB THR A 56 -15.700 2.275 12.403 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.668 2.690 13.372 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.359 2.159 11.037 1.00 0.00 C ATOM 0 H THR A 56 -13.500 1.515 14.080 1.00 0.00 H new ATOM 0 HA THR A 56 -15.867 0.192 12.945 1.00 0.00 H new ATOM 0 HB THR A 56 -14.905 3.018 12.342 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.060 3.545 13.097 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.793 3.120 10.760 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.613 1.871 10.296 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.144 1.403 11.075 1.00 0.00 H new ATOM 852 N GLU A 57 -14.213 -0.803 11.367 1.00 0.00 N ATOM 853 CA GLU A 57 -13.349 -1.369 10.337 1.00 0.00 C ATOM 854 C GLU A 57 -14.156 -1.758 9.102 1.00 0.00 C ATOM 855 O GLU A 57 -15.213 -2.381 9.209 1.00 0.00 O ATOM 856 CB GLU A 57 -12.605 -2.591 10.879 1.00 0.00 C ATOM 857 CG GLU A 57 -13.516 -3.763 11.205 1.00 0.00 C ATOM 858 CD GLU A 57 -12.982 -4.620 12.336 1.00 0.00 C ATOM 859 OE1 GLU A 57 -13.167 -4.234 13.510 1.00 0.00 O ATOM 860 OE2 GLU A 57 -12.381 -5.676 12.049 1.00 0.00 O ATOM 0 H GLU A 57 -14.885 -1.461 11.763 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.623 -0.608 10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.865 -2.910 10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.060 -2.305 11.778 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.503 -3.387 11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.641 -4.380 10.315 1.00 0.00 H new ATOM 867 N ARG A 58 -13.652 -1.385 7.931 1.00 0.00 N ATOM 868 CA ARG A 58 -14.326 -1.692 6.675 1.00 0.00 C ATOM 869 C ARG A 58 -13.315 -2.029 5.583 1.00 0.00 C ATOM 870 O ARG A 58 -12.317 -1.329 5.410 1.00 0.00 O ATOM 871 CB ARG A 58 -15.194 -0.512 6.236 1.00 0.00 C ATOM 872 CG ARG A 58 -16.125 -0.838 5.079 1.00 0.00 C ATOM 873 CD ARG A 58 -17.269 -1.736 5.521 1.00 0.00 C ATOM 874 NE ARG A 58 -18.244 -1.947 4.454 1.00 0.00 N ATOM 875 CZ ARG A 58 -19.307 -2.734 4.574 1.00 0.00 C ATOM 876 NH1 ARG A 58 -19.531 -3.382 5.709 1.00 0.00 N ATOM 877 NH2 ARG A 58 -20.148 -2.875 3.558 1.00 0.00 N ATOM 0 H ARG A 58 -12.778 -0.869 7.825 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.963 -2.562 6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.788 -0.173 7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.547 0.317 5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.526 0.086 4.662 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.562 -1.328 4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.871 -2.698 5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.766 -1.292 6.383 1.00 0.00 H new ATOM 0 HE ARG A 58 -18.100 -1.463 3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.886 -3.277 6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -20.348 -3.986 5.799 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.979 -2.379 2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.964 -3.480 3.652 1.00 0.00 H new ATOM 891 N HIS A 59 -13.581 -3.105 4.849 1.00 0.00 N ATOM 892 CA HIS A 59 -12.694 -3.534 3.774 1.00 0.00 C ATOM 893 C HIS A 59 -12.808 -2.602 2.571 1.00 0.00 C ATOM 894 O HIS A 59 -13.880 -2.460 1.982 1.00 0.00 O ATOM 895 CB HIS A 59 -13.023 -4.968 3.355 1.00 0.00 C ATOM 896 CG HIS A 59 -12.579 -5.998 4.348 1.00 0.00 C ATOM 897 ND1 HIS A 59 -11.789 -7.076 4.011 1.00 0.00 N ATOM 898 CD2 HIS A 59 -12.819 -6.109 5.675 1.00 0.00 C ATOM 899 CE1 HIS A 59 -11.562 -7.807 5.087 1.00 0.00 C ATOM 900 NE2 HIS A 59 -12.176 -7.242 6.111 1.00 0.00 N ATOM 0 H HIS A 59 -14.403 -3.695 4.979 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.670 -3.497 4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.099 -5.057 3.208 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.552 -5.174 2.394 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.406 -5.433 6.279 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -10.974 -8.712 5.124 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.173 -7.590 7.070 1.00 0.00 H new ATOM 909 N LEU A 60 -11.696 -1.969 2.213 1.00 0.00 N ATOM 910 CA LEU A 60 -11.671 -1.049 1.081 1.00 0.00 C ATOM 911 C LEU A 60 -11.917 -1.791 -0.229 1.00 0.00 C ATOM 912 O LEU A 60 -11.677 -2.994 -0.327 1.00 0.00 O ATOM 913 CB LEU A 60 -10.328 -0.318 1.022 1.00 0.00 C ATOM 914 CG LEU A 60 -10.184 0.896 1.940 1.00 0.00 C ATOM 915 CD1 LEU A 60 -11.005 2.063 1.414 1.00 0.00 C ATOM 916 CD2 LEU A 60 -10.603 0.544 3.360 1.00 0.00 C ATOM 0 H LEU A 60 -10.801 -2.076 2.690 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.469 -0.319 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.539 -1.029 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.158 0.006 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.135 1.193 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.890 2.918 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.658 2.331 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.056 1.777 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.494 1.420 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.644 0.220 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.972 -0.261 3.737 1.00 0.00 H new ATOM 928 N ALA A 61 -12.394 -1.064 -1.234 1.00 0.00 N ATOM 929 CA ALA A 61 -12.668 -1.652 -2.539 1.00 0.00 C ATOM 930 C ALA A 61 -11.405 -1.712 -3.391 1.00 0.00 C ATOM 931 O ALA A 61 -10.542 -0.836 -3.327 1.00 0.00 O ATOM 932 CB ALA A 61 -13.753 -0.863 -3.257 1.00 0.00 C ATOM 0 H ALA A 61 -12.599 -0.067 -1.169 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.019 -2.672 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.947 -1.314 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.666 -0.876 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.424 0.167 -3.393 1.00 0.00 H new ATOM 938 N PRO A 62 -11.290 -2.771 -4.207 1.00 0.00 N ATOM 939 CA PRO A 62 -10.134 -2.970 -5.086 1.00 0.00 C ATOM 940 C PRO A 62 -10.094 -1.961 -6.229 1.00 0.00 C ATOM 941 O PRO A 62 -9.108 -1.877 -6.962 1.00 0.00 O ATOM 942 CB PRO A 62 -10.342 -4.386 -5.630 1.00 0.00 C ATOM 943 CG PRO A 62 -11.813 -4.611 -5.546 1.00 0.00 C ATOM 944 CD PRO A 62 -12.279 -3.854 -4.334 1.00 0.00 C ATOM 0 HA PRO A 62 -9.191 -2.836 -4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.986 -4.472 -6.657 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.795 -5.121 -5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.314 -4.254 -6.446 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.041 -5.673 -5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.288 -3.463 -4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.297 -4.487 -3.447 1.00 0.00 H new ATOM 952 N HIS A 63 -11.172 -1.196 -6.375 1.00 0.00 N ATOM 953 CA HIS A 63 -11.259 -0.191 -7.428 1.00 0.00 C ATOM 954 C HIS A 63 -11.263 1.216 -6.838 1.00 0.00 C ATOM 955 O HIS A 63 -11.275 2.205 -7.569 1.00 0.00 O ATOM 956 CB HIS A 63 -12.519 -0.409 -8.267 1.00 0.00 C ATOM 957 CG HIS A 63 -13.705 -0.845 -7.463 1.00 0.00 C ATOM 958 ND1 HIS A 63 -14.500 0.034 -6.757 1.00 0.00 N ATOM 959 CD2 HIS A 63 -14.231 -2.075 -7.256 1.00 0.00 C ATOM 960 CE1 HIS A 63 -15.463 -0.637 -6.151 1.00 0.00 C ATOM 961 NE2 HIS A 63 -15.322 -1.919 -6.438 1.00 0.00 N ATOM 0 H HIS A 63 -11.997 -1.253 -5.777 1.00 0.00 H new ATOM 0 HA HIS A 63 -10.383 -0.294 -8.068 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -12.764 0.517 -8.788 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -12.312 -1.159 -9.030 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -13.861 -3.006 -7.659 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -16.234 -0.210 -5.527 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.926 -2.671 -6.106 1.00 0.00 H new ATOM 970 N GLU A 64 -11.252 1.296 -5.511 1.00 0.00 N ATOM 971 CA GLU A 64 -11.256 2.582 -4.824 1.00 0.00 C ATOM 972 C GLU A 64 -9.833 3.039 -4.517 1.00 0.00 C ATOM 973 O GLU A 64 -8.864 2.373 -4.879 1.00 0.00 O ATOM 974 CB GLU A 64 -12.065 2.491 -3.528 1.00 0.00 C ATOM 975 CG GLU A 64 -13.567 2.588 -3.740 1.00 0.00 C ATOM 976 CD GLU A 64 -13.981 3.895 -4.387 1.00 0.00 C ATOM 977 OE1 GLU A 64 -14.021 4.921 -3.676 1.00 0.00 O ATOM 978 OE2 GLU A 64 -14.266 3.892 -5.603 1.00 0.00 O ATOM 0 H GLU A 64 -11.240 0.486 -4.891 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.721 3.315 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.837 1.547 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.749 3.289 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.897 1.757 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.073 2.486 -2.780 1.00 0.00 H new ATOM 985 N ASN A 65 -9.716 4.180 -3.846 1.00 0.00 N ATOM 986 CA ASN A 65 -8.412 4.728 -3.490 1.00 0.00 C ATOM 987 C ASN A 65 -8.342 5.039 -1.999 1.00 0.00 C ATOM 988 O ASN A 65 -9.307 5.501 -1.389 1.00 0.00 O ATOM 989 CB ASN A 65 -8.129 5.994 -4.301 1.00 0.00 C ATOM 990 CG ASN A 65 -7.616 5.686 -5.694 1.00 0.00 C ATOM 991 OD1 ASN A 65 -6.999 4.646 -5.925 1.00 0.00 O ATOM 992 ND2 ASN A 65 -7.869 6.592 -6.632 1.00 0.00 N ATOM 0 H ASN A 65 -10.508 4.743 -3.538 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.655 3.979 -3.723 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.041 6.586 -4.375 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.396 6.604 -3.773 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.548 6.439 -7.588 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.384 7.440 -6.396 1.00 0.00 H new ATOM 999 N PRO A 66 -7.171 4.783 -1.395 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.946 5.029 0.032 1.00 0.00 C ATOM 1001 C PRO A 66 -6.902 6.517 0.364 1.00 0.00 C ATOM 1002 O PRO A 66 -7.591 6.980 1.273 1.00 0.00 O ATOM 1003 CB PRO A 66 -5.583 4.383 0.292 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.896 4.400 -1.030 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.978 4.232 -2.060 1.00 0.00 C ATOM 0 HA PRO A 66 -7.750 4.624 0.647 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.017 4.940 1.039 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.693 3.366 0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.358 5.336 -1.178 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.163 3.596 -1.099 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.745 4.771 -2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.116 3.185 -2.330 1.00 0.00 H new ATOM 1013 N ILE A 67 -6.089 7.260 -0.379 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.957 8.696 -0.164 1.00 0.00 C ATOM 1015 C ILE A 67 -7.320 9.380 -0.172 1.00 0.00 C ATOM 1016 O ILE A 67 -7.581 10.274 0.633 1.00 0.00 O ATOM 1017 CB ILE A 67 -5.063 9.346 -1.236 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.673 8.704 -1.229 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.961 10.846 -1.002 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.812 9.117 -2.402 1.00 0.00 C ATOM 0 H ILE A 67 -5.512 6.892 -1.135 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.492 8.828 0.813 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.514 9.181 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.163 8.970 -0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.782 7.620 -1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.326 11.291 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.955 11.290 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.529 11.032 -0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.842 8.625 -2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.301 8.827 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.672 10.198 -2.388 1.00 0.00 H new ATOM 1032 N ILE A 68 -8.185 8.952 -1.085 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.523 9.521 -1.196 1.00 0.00 C ATOM 1034 C ILE A 68 -10.433 9.005 -0.087 1.00 0.00 C ATOM 1035 O ILE A 68 -11.355 9.697 0.346 1.00 0.00 O ATOM 1036 CB ILE A 68 -10.160 9.200 -2.560 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -9.484 10.011 -3.668 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.655 9.483 -2.526 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -8.184 9.406 -4.152 1.00 0.00 C ATOM 0 H ILE A 68 -7.984 8.213 -1.759 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.416 10.602 -1.101 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.015 8.141 -2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.169 10.101 -4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.292 11.020 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.091 9.251 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.125 8.865 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.821 10.535 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.761 10.033 -4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.482 9.341 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.372 8.408 -4.547 1.00 0.00 H new ATOM 1051 N SER A 69 -10.168 7.785 0.369 1.00 0.00 N ATOM 1052 CA SER A 69 -10.965 7.174 1.426 1.00 0.00 C ATOM 1053 C SER A 69 -10.749 7.893 2.754 1.00 0.00 C ATOM 1054 O SER A 69 -11.684 8.074 3.535 1.00 0.00 O ATOM 1055 CB SER A 69 -10.609 5.693 1.572 1.00 0.00 C ATOM 1056 OG SER A 69 -11.276 5.114 2.680 1.00 0.00 O ATOM 0 H SER A 69 -9.407 7.200 0.023 1.00 0.00 H new ATOM 0 HA SER A 69 -12.016 7.262 1.151 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.880 5.159 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.531 5.585 1.696 1.00 0.00 H new ATOM 0 HG SER A 69 -10.615 4.767 3.315 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.510 8.302 3.003 1.00 0.00 N ATOM 1063 CA LEU A 70 -9.169 9.003 4.236 1.00 0.00 C ATOM 1064 C LEU A 70 -9.632 10.455 4.183 1.00 0.00 C ATOM 1065 O LEU A 70 -10.075 11.013 5.186 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.660 8.945 4.478 1.00 0.00 C ATOM 1067 CG LEU A 70 -7.153 7.741 5.274 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -5.633 7.726 5.309 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -7.721 7.758 6.685 1.00 0.00 C ATOM 0 H LEU A 70 -8.725 8.160 2.368 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.682 8.508 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.157 8.954 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.361 9.853 5.001 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.493 6.832 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.291 6.863 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.246 7.665 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.271 8.639 5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.350 6.894 7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.411 8.672 7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.809 7.719 6.640 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.527 11.062 3.005 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.937 12.449 2.821 1.00 0.00 C ATOM 1083 C ASN A 71 -11.384 12.652 3.258 1.00 0.00 C ATOM 1084 O ASN A 71 -11.811 13.775 3.529 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.772 12.861 1.356 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.397 13.429 1.066 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -7.741 13.979 1.951 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.953 13.299 -0.179 1.00 0.00 N ATOM 0 H ASN A 71 -9.162 10.615 2.164 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.298 13.076 3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.947 11.996 0.716 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.529 13.603 1.103 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.034 13.662 -0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.531 12.836 -0.881 1.00 0.00 H new ATOM 1095 N LYS A 72 -12.134 11.558 3.327 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.534 11.613 3.733 1.00 0.00 C ATOM 1097 C LYS A 72 -13.669 12.192 5.138 1.00 0.00 C ATOM 1098 O LYS A 72 -14.358 13.191 5.344 1.00 0.00 O ATOM 1099 CB LYS A 72 -14.156 10.216 3.683 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.693 9.838 2.314 1.00 0.00 C ATOM 1101 CD LYS A 72 -16.012 10.535 2.020 1.00 0.00 C ATOM 1102 CE LYS A 72 -17.171 9.857 2.733 1.00 0.00 C ATOM 1103 NZ LYS A 72 -18.262 10.818 3.056 1.00 0.00 N ATOM 0 H LYS A 72 -11.796 10.621 3.107 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.064 12.264 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.408 9.483 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.967 10.162 4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.962 10.103 1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.832 8.758 2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.951 11.578 2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.194 10.534 0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.565 9.057 2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.811 9.394 3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.033 10.317 3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.892 11.568 3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.623 11.241 2.177 1.00 0.00 H new ATOM 1117 N TRP A 73 -13.008 11.558 6.100 1.00 0.00 N ATOM 1118 CA TRP A 73 -13.055 12.012 7.486 1.00 0.00 C ATOM 1119 C TRP A 73 -12.766 13.506 7.579 1.00 0.00 C ATOM 1120 O TRP A 73 -13.475 14.243 8.262 1.00 0.00 O ATOM 1121 CB TRP A 73 -12.049 11.231 8.333 1.00 0.00 C ATOM 1122 CG TRP A 73 -12.148 9.746 8.155 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.355 8.960 7.370 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.097 8.871 8.775 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -11.753 7.648 7.464 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -12.819 7.567 8.320 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -14.152 9.061 9.671 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -13.559 6.462 8.731 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -14.886 7.963 10.078 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -14.587 6.677 9.609 1.00 0.00 C ATOM 0 H TRP A 73 -12.434 10.729 5.947 1.00 0.00 H new ATOM 0 HA TRP A 73 -14.059 11.831 7.869 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.040 11.554 8.076 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -12.203 11.475 9.384 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.535 9.317 6.764 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.324 6.862 6.975 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.390 10.048 10.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.330 5.470 8.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.704 8.099 10.770 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.179 5.839 9.947 1.00 0.00 H new ATOM 1141 N GLY A 74 -11.719 13.946 6.888 1.00 0.00 N ATOM 1142 CA GLY A 74 -11.355 15.351 6.907 1.00 0.00 C ATOM 1143 C GLY A 74 -10.812 15.791 8.252 1.00 0.00 C ATOM 1144 O GLY A 74 -9.600 15.921 8.426 1.00 0.00 O ATOM 0 H GLY A 74 -11.116 13.355 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.607 15.540 6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.229 15.953 6.657 1.00 0.00 H new ATOM 1148 N GLN A 75 -11.709 16.022 9.205 1.00 0.00 N ATOM 1149 CA GLN A 75 -11.312 16.452 10.540 1.00 0.00 C ATOM 1150 C GLN A 75 -10.833 15.268 11.374 1.00 0.00 C ATOM 1151 O GLN A 75 -10.152 15.443 12.384 1.00 0.00 O ATOM 1152 CB GLN A 75 -12.479 17.147 11.243 1.00 0.00 C ATOM 1153 CG GLN A 75 -13.823 16.482 10.994 1.00 0.00 C ATOM 1154 CD GLN A 75 -14.887 16.928 11.977 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -14.578 17.459 13.045 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -16.148 16.714 11.623 1.00 0.00 N ATOM 0 H GLN A 75 -12.716 15.919 9.077 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.487 17.157 10.436 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.286 17.167 12.316 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.528 18.183 10.909 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.153 16.708 9.980 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.706 15.400 11.058 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.358 16.271 10.729 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.907 16.993 12.245 1.00 0.00 H new ATOM 1165 N TYR A 76 -11.194 14.064 10.943 1.00 0.00 N ATOM 1166 CA TYR A 76 -10.803 12.851 11.652 1.00 0.00 C ATOM 1167 C TYR A 76 -10.148 11.853 10.702 1.00 0.00 C ATOM 1168 O TYR A 76 -10.422 10.655 10.757 1.00 0.00 O ATOM 1169 CB TYR A 76 -12.021 12.212 12.321 1.00 0.00 C ATOM 1170 CG TYR A 76 -12.284 12.725 13.718 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -13.020 13.885 13.926 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -11.796 12.050 14.831 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -13.262 14.359 15.201 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -12.035 12.516 16.110 1.00 0.00 C ATOM 1175 CZ TYR A 76 -12.767 13.670 16.290 1.00 0.00 C ATOM 1176 OH TYR A 76 -13.007 14.138 17.561 1.00 0.00 O ATOM 0 H TYR A 76 -11.756 13.902 10.107 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.078 13.125 12.418 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.901 12.395 11.704 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.878 11.132 12.361 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.410 14.426 13.076 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.221 11.146 14.694 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.835 15.263 15.345 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.650 11.979 16.964 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.591 13.538 18.215 1.00 0.00 H new ATOM 1186 N ALA A 77 -9.279 12.357 9.832 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.581 11.511 8.872 1.00 0.00 C ATOM 1188 C ALA A 77 -7.369 10.841 9.509 1.00 0.00 C ATOM 1189 O ALA A 77 -7.211 9.623 9.436 1.00 0.00 O ATOM 1190 CB ALA A 77 -8.159 12.327 7.659 1.00 0.00 C ATOM 0 H ALA A 77 -9.042 13.347 9.772 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.267 10.728 8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.639 11.683 6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.042 12.753 7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.494 13.131 7.975 1.00 0.00 H new ATOM 1196 N SER A 78 -6.514 11.646 10.133 1.00 0.00 N ATOM 1197 CA SER A 78 -5.313 11.131 10.780 1.00 0.00 C ATOM 1198 C SER A 78 -5.666 10.065 11.813 1.00 0.00 C ATOM 1199 O SER A 78 -5.140 8.952 11.778 1.00 0.00 O ATOM 1200 CB SER A 78 -4.541 12.269 11.449 1.00 0.00 C ATOM 1201 OG SER A 78 -3.150 11.998 11.471 1.00 0.00 O ATOM 0 H SER A 78 -6.631 12.657 10.204 1.00 0.00 H new ATOM 0 HA SER A 78 -4.685 10.676 10.014 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.725 13.201 10.914 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.904 12.409 12.467 1.00 0.00 H new ATOM 0 HG SER A 78 -2.679 12.741 11.902 1.00 0.00 H new ATOM 1207 N ASP A 79 -6.561 10.413 12.731 1.00 0.00 N ATOM 1208 CA ASP A 79 -6.986 9.487 13.774 1.00 0.00 C ATOM 1209 C ASP A 79 -7.169 8.081 13.211 1.00 0.00 C ATOM 1210 O ASP A 79 -6.828 7.092 13.859 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.290 9.968 14.412 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.413 9.551 15.864 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -8.681 8.357 16.118 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.240 10.417 16.747 1.00 0.00 O ATOM 0 H ASP A 79 -7.006 11.330 12.774 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.208 9.455 14.536 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.345 11.054 14.343 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.135 9.569 13.850 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.712 8.000 12.000 1.00 0.00 N ATOM 1220 CA VAL A 80 -7.941 6.716 11.349 1.00 0.00 C ATOM 1221 C VAL A 80 -6.627 5.983 11.102 1.00 0.00 C ATOM 1222 O VAL A 80 -5.618 6.598 10.758 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.679 6.890 10.009 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.921 5.539 9.353 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -9.990 7.634 10.215 1.00 0.00 C ATOM 0 H VAL A 80 -8.001 8.809 11.450 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.562 6.126 12.023 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.052 7.483 9.344 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.444 5.682 8.407 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.966 5.048 9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.527 4.918 10.012 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.498 7.748 9.257 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.625 7.070 10.898 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.787 8.618 10.638 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.648 4.666 11.279 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.458 3.849 11.075 1.00 0.00 C ATOM 1237 C GLN A 81 -5.735 2.719 10.090 1.00 0.00 C ATOM 1238 O GLN A 81 -6.711 1.981 10.235 1.00 0.00 O ATOM 1239 CB GLN A 81 -4.974 3.274 12.407 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.362 4.313 13.333 1.00 0.00 C ATOM 1241 CD GLN A 81 -2.980 4.748 12.888 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -2.593 4.547 11.736 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -2.226 5.350 13.800 1.00 0.00 N ATOM 0 H GLN A 81 -7.476 4.142 11.563 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.678 4.486 10.658 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.813 2.798 12.914 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.237 2.496 12.211 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.016 5.184 13.379 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.303 3.905 14.342 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.586 5.497 14.743 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.287 5.666 13.558 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.873 2.588 9.089 1.00 0.00 N ATOM 1253 CA LEU A 82 -5.025 1.547 8.078 1.00 0.00 C ATOM 1254 C LEU A 82 -4.330 0.260 8.513 1.00 0.00 C ATOM 1255 O LEU A 82 -3.320 0.296 9.217 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.455 2.020 6.740 1.00 0.00 C ATOM 1257 CG LEU A 82 -4.944 3.382 6.247 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -4.217 3.781 4.972 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -6.449 3.359 6.020 1.00 0.00 C ATOM 0 H LEU A 82 -4.060 3.190 8.955 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.089 1.342 7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.369 2.054 6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.694 1.274 5.982 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.724 4.125 7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.578 4.753 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.146 3.839 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.405 3.037 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.779 4.337 5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.693 2.604 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.954 3.119 6.956 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.876 -0.874 8.087 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.306 -2.171 8.430 1.00 0.00 C ATOM 1273 C ILE A 83 -4.349 -3.122 7.239 1.00 0.00 C ATOM 1274 O ILE A 83 -5.391 -3.296 6.606 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.049 -2.816 9.615 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -4.993 -1.901 10.840 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.451 -4.178 9.936 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.121 -2.135 11.821 1.00 0.00 C ATOM 0 H ILE A 83 -5.712 -0.921 7.504 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.269 -1.995 8.714 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.094 -2.956 9.338 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.042 -2.049 11.351 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.019 -0.863 10.509 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.986 -4.622 10.775 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.538 -4.828 9.065 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.399 -4.061 10.197 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.018 -1.452 12.664 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.076 -1.959 11.326 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.083 -3.163 12.181 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.210 -3.736 6.939 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.117 -4.673 5.824 1.00 0.00 C ATOM 1292 C LEU A 84 -3.434 -6.094 6.279 1.00 0.00 C ATOM 1293 O LEU A 84 -2.868 -6.585 7.255 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.718 -4.623 5.207 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.502 -5.488 3.965 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -1.913 -4.733 2.710 1.00 0.00 C ATOM 1297 CD2 LEU A 84 -0.049 -5.932 3.870 1.00 0.00 C ATOM 0 H LEU A 84 -2.338 -3.602 7.452 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.850 -4.380 5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.493 -3.588 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.997 -4.926 5.966 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.128 -6.376 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.752 -5.365 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.968 -4.466 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.314 -3.827 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.086 -6.547 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.596 -5.056 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.213 -6.512 4.755 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.341 -6.750 5.562 1.00 0.00 N ATOM 1310 CA ARG A 85 -4.733 -8.115 5.891 1.00 0.00 C ATOM 1311 C ARG A 85 -4.912 -8.949 4.626 1.00 0.00 C ATOM 1312 O ARG A 85 -5.199 -8.415 3.554 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.029 -8.115 6.703 1.00 0.00 C ATOM 1314 CG ARG A 85 -6.571 -9.506 6.986 1.00 0.00 C ATOM 1315 CD ARG A 85 -7.766 -9.459 7.925 1.00 0.00 C ATOM 1316 NE ARG A 85 -8.075 -10.772 8.485 1.00 0.00 N ATOM 1317 CZ ARG A 85 -8.862 -10.954 9.539 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -9.418 -9.913 10.144 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -9.096 -12.180 9.990 1.00 0.00 N ATOM 0 H ARG A 85 -4.818 -6.358 4.750 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.938 -8.560 6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.855 -7.603 7.649 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.785 -7.542 6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.862 -9.982 6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.786 -10.121 7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.563 -8.758 8.735 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.635 -9.081 7.387 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.664 -11.594 8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.242 -8.969 9.800 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.022 -10.056 10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.671 -12.983 9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.701 -12.319 10.800 1.00 0.00 H new ATOM 1333 N ARG A 86 -4.741 -10.260 4.758 1.00 0.00 N ATOM 1334 CA ARG A 86 -4.883 -11.168 3.626 1.00 0.00 C ATOM 1335 C ARG A 86 -6.354 -11.392 3.290 1.00 0.00 C ATOM 1336 O ARG A 86 -7.190 -11.547 4.181 1.00 0.00 O ATOM 1337 CB ARG A 86 -4.208 -12.506 3.930 1.00 0.00 C ATOM 1338 CG ARG A 86 -3.671 -13.212 2.695 1.00 0.00 C ATOM 1339 CD ARG A 86 -3.295 -14.654 2.998 1.00 0.00 C ATOM 1340 NE ARG A 86 -2.223 -14.745 3.986 1.00 0.00 N ATOM 1341 CZ ARG A 86 -1.657 -15.889 4.354 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -2.059 -17.033 3.818 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -0.687 -15.890 5.259 1.00 0.00 N ATOM 0 H ARG A 86 -4.504 -10.718 5.638 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.397 -10.712 2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.388 -12.339 4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.924 -13.159 4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.422 -13.189 1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.798 -12.678 2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.172 -15.188 3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.983 -15.148 2.078 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.891 -13.882 4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.804 -17.036 3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.623 -17.910 4.102 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.375 -15.012 5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.253 -16.769 5.541 1.00 0.00 H new ATOM 1357 N THR A 87 -6.665 -11.408 1.997 1.00 0.00 N ATOM 1358 CA THR A 87 -8.034 -11.612 1.543 1.00 0.00 C ATOM 1359 C THR A 87 -8.140 -12.844 0.651 1.00 0.00 C ATOM 1360 O THR A 87 -8.838 -12.831 -0.362 1.00 0.00 O ATOM 1361 CB THR A 87 -8.558 -10.387 0.771 1.00 0.00 C ATOM 1362 OG1 THR A 87 -9.961 -10.528 0.520 1.00 0.00 O ATOM 1363 CG2 THR A 87 -7.817 -10.220 -0.547 1.00 0.00 C ATOM 0 H THR A 87 -5.986 -11.282 1.246 1.00 0.00 H new ATOM 0 HA THR A 87 -8.644 -11.759 2.434 1.00 0.00 H new ATOM 0 HB THR A 87 -8.386 -9.501 1.382 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.118 -11.330 -0.021 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.205 -9.348 -1.074 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.753 -10.083 -0.352 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.961 -11.109 -1.161 1.00 0.00 H new ATOM 1371 N GLY A 88 -7.443 -13.909 1.035 1.00 0.00 N ATOM 1372 CA GLY A 88 -7.473 -15.135 0.259 1.00 0.00 C ATOM 1373 C GLY A 88 -6.526 -16.187 0.800 1.00 0.00 C ATOM 1374 O GLY A 88 -5.476 -15.877 1.363 1.00 0.00 O ATOM 0 H GLY A 88 -6.858 -13.945 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.488 -15.533 0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.212 -14.913 -0.776 1.00 0.00 H new ATOM 1378 N PRO A 89 -6.897 -17.465 0.631 1.00 0.00 N ATOM 1379 CA PRO A 89 -6.086 -18.593 1.101 1.00 0.00 C ATOM 1380 C PRO A 89 -4.801 -18.757 0.298 1.00 0.00 C ATOM 1381 O PRO A 89 -4.797 -19.380 -0.764 1.00 0.00 O ATOM 1382 CB PRO A 89 -7.004 -19.800 0.895 1.00 0.00 C ATOM 1383 CG PRO A 89 -7.931 -19.388 -0.197 1.00 0.00 C ATOM 1384 CD PRO A 89 -8.135 -17.908 -0.031 1.00 0.00 C ATOM 0 HA PRO A 89 -5.761 -18.459 2.133 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.435 -20.687 0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.549 -20.043 1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.508 -19.616 -1.175 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.878 -19.923 -0.127 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.277 -17.412 -0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -9.015 -17.689 0.574 1.00 0.00 H new ATOM 1392 N SER A 90 -3.711 -18.196 0.812 1.00 0.00 N ATOM 1393 CA SER A 90 -2.419 -18.278 0.140 1.00 0.00 C ATOM 1394 C SER A 90 -2.558 -17.953 -1.344 1.00 0.00 C ATOM 1395 O SER A 90 -1.896 -18.556 -2.188 1.00 0.00 O ATOM 1396 CB SER A 90 -1.818 -19.674 0.314 1.00 0.00 C ATOM 1397 OG SER A 90 -0.445 -19.685 -0.037 1.00 0.00 O ATOM 0 H SER A 90 -3.697 -17.680 1.692 1.00 0.00 H new ATOM 0 HA SER A 90 -1.753 -17.544 0.594 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.935 -19.997 1.348 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.361 -20.387 -0.306 1.00 0.00 H new ATOM 0 HG SER A 90 -0.333 -19.303 -0.933 1.00 0.00 H new ATOM 1403 N GLY A 91 -3.424 -16.994 -1.655 1.00 0.00 N ATOM 1404 CA GLY A 91 -3.635 -16.604 -3.037 1.00 0.00 C ATOM 1405 C GLY A 91 -4.478 -17.606 -3.800 1.00 0.00 C ATOM 1406 O GLY A 91 -4.412 -18.813 -3.564 1.00 0.00 O ATOM 0 H GLY A 91 -3.984 -16.480 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.121 -15.629 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.670 -16.494 -3.532 1.00 0.00 H new ATOM 1410 N PRO A 92 -5.295 -17.105 -4.739 1.00 0.00 N ATOM 1411 CA PRO A 92 -6.171 -17.948 -5.557 1.00 0.00 C ATOM 1412 C PRO A 92 -5.391 -18.801 -6.552 1.00 0.00 C ATOM 1413 O PRO A 92 -5.708 -19.972 -6.762 1.00 0.00 O ATOM 1414 CB PRO A 92 -7.050 -16.935 -6.296 1.00 0.00 C ATOM 1415 CG PRO A 92 -6.234 -15.689 -6.341 1.00 0.00 C ATOM 1416 CD PRO A 92 -5.425 -15.677 -5.074 1.00 0.00 C ATOM 0 HA PRO A 92 -6.733 -18.659 -4.952 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.298 -17.283 -7.299 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.993 -16.773 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.586 -15.678 -7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.872 -14.807 -6.405 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.452 -15.209 -5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.928 -15.122 -4.282 1.00 0.00 H new ATOM 1424 N SER A 93 -4.370 -18.208 -7.161 1.00 0.00 N ATOM 1425 CA SER A 93 -3.547 -18.913 -8.136 1.00 0.00 C ATOM 1426 C SER A 93 -2.154 -19.185 -7.576 1.00 0.00 C ATOM 1427 O SER A 93 -1.798 -18.697 -6.504 1.00 0.00 O ATOM 1428 CB SER A 93 -3.439 -18.100 -9.428 1.00 0.00 C ATOM 1429 OG SER A 93 -3.277 -18.947 -10.552 1.00 0.00 O ATOM 0 H SER A 93 -4.093 -17.240 -6.996 1.00 0.00 H new ATOM 0 HA SER A 93 -4.025 -19.868 -8.355 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.334 -17.491 -9.554 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.594 -17.415 -9.360 1.00 0.00 H new ATOM 0 HG SER A 93 -3.212 -18.403 -11.365 1.00 0.00 H new ATOM 1435 N SER A 94 -1.371 -19.969 -8.310 1.00 0.00 N ATOM 1436 CA SER A 94 -0.018 -20.310 -7.886 1.00 0.00 C ATOM 1437 C SER A 94 0.862 -19.065 -7.821 1.00 0.00 C ATOM 1438 O SER A 94 0.583 -18.059 -8.472 1.00 0.00 O ATOM 1439 CB SER A 94 0.597 -21.333 -8.844 1.00 0.00 C ATOM 1440 OG SER A 94 0.175 -22.648 -8.524 1.00 0.00 O ATOM 0 H SER A 94 -1.650 -20.380 -9.201 1.00 0.00 H new ATOM 0 HA SER A 94 -0.076 -20.745 -6.888 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.311 -21.095 -9.868 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.684 -21.274 -8.795 1.00 0.00 H new ATOM 0 HG SER A 94 0.580 -23.283 -9.151 1.00 0.00 H new ATOM 1446 N GLY A 95 1.927 -19.141 -7.028 1.00 0.00 N ATOM 1447 CA GLY A 95 2.831 -18.015 -6.891 1.00 0.00 C ATOM 1448 C GLY A 95 3.333 -17.843 -5.471 1.00 0.00 C ATOM 1449 O GLY A 95 4.450 -18.245 -5.148 1.00 0.00 O ATOM 0 H GLY A 95 2.179 -19.962 -6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.681 -18.152 -7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 95 2.322 -17.104 -7.206 1.00 0.00 H new TER 1453 GLY A 95