USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 563 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0793 (180deg=0) USER MOD Single : A 2 SER OG : rot 52:sc= 1.1 USER MOD Single : A 3 SER OG : rot 21:sc= 0.388 USER MOD Single : A 5 SER OG : rot 36:sc= 1.11 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -2.86 K(o=-2.9,f=-6.1!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 150:sc= 0 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.948 F(o=-2!,f=-0.95) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0271) USER MOD Single : A 36 THR OG1 : rot 100:sc= 0.0477 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -1.5! C(o=-3.1!,f=-1.5!) USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= -0.0154 (180deg=-0.179) USER MOD Single : A 64 CYS SG : rot 128:sc= 0.69 USER MOD Single : A 65 MET CE :methyl -133:sc= -0.0856 (180deg=-0.62) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.444 F(o=-0.96,f=-0.44) USER MOD Single : A 68 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0413) USER MOD Single : A 70 SER OG : rot -120:sc= 0 USER MOD Single : A 74 SER OG : rot -52:sc= 0.479 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.903 -23.578 -1.975 1.00 0.00 N ATOM 2 CA GLY A 1 -23.766 -24.520 -2.663 1.00 0.00 C ATOM 3 C GLY A 1 -24.852 -23.832 -3.466 1.00 0.00 C ATOM 4 O GLY A 1 -25.108 -22.642 -3.285 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.952 -23.607 -2.395 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.293 -22.618 -2.068 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.845 -23.832 -0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.165 -25.140 -3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.225 -25.187 -1.933 1.00 0.00 H new ATOM 8 N SER A 2 -25.492 -24.582 -4.357 1.00 0.00 N ATOM 9 CA SER A 2 -26.553 -24.036 -5.195 1.00 0.00 C ATOM 10 C SER A 2 -27.551 -23.241 -4.358 1.00 0.00 C ATOM 11 O SER A 2 -28.432 -23.812 -3.714 1.00 0.00 O ATOM 12 CB SER A 2 -27.276 -25.161 -5.938 1.00 0.00 C ATOM 13 OG SER A 2 -27.958 -26.013 -5.035 1.00 0.00 O ATOM 0 H SER A 2 -25.294 -25.570 -4.517 1.00 0.00 H new ATOM 0 HA SER A 2 -26.098 -23.364 -5.923 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.986 -24.735 -6.647 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.556 -25.740 -6.516 1.00 0.00 H new ATOM 0 HG SER A 2 -28.521 -25.475 -4.440 1.00 0.00 H new ATOM 19 N SER A 3 -27.406 -21.920 -4.373 1.00 0.00 N ATOM 20 CA SER A 3 -28.292 -21.045 -3.613 1.00 0.00 C ATOM 21 C SER A 3 -28.403 -19.676 -4.276 1.00 0.00 C ATOM 22 O SER A 3 -27.398 -19.017 -4.539 1.00 0.00 O ATOM 23 CB SER A 3 -27.782 -20.890 -2.179 1.00 0.00 C ATOM 24 OG SER A 3 -26.588 -20.127 -2.142 1.00 0.00 O ATOM 0 H SER A 3 -26.684 -21.432 -4.903 1.00 0.00 H new ATOM 0 HA SER A 3 -29.282 -21.500 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.545 -20.407 -1.569 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.602 -21.874 -1.745 1.00 0.00 H new ATOM 0 HG SER A 3 -26.518 -19.589 -2.958 1.00 0.00 H new ATOM 30 N GLY A 4 -29.636 -19.254 -4.545 1.00 0.00 N ATOM 31 CA GLY A 4 -29.858 -17.966 -5.175 1.00 0.00 C ATOM 32 C GLY A 4 -29.057 -16.856 -4.523 1.00 0.00 C ATOM 33 O GLY A 4 -29.233 -16.567 -3.340 1.00 0.00 O ATOM 0 H GLY A 4 -30.484 -19.782 -4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.592 -18.030 -6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.919 -17.720 -5.128 1.00 0.00 H new ATOM 37 N SER A 5 -28.175 -16.232 -5.297 1.00 0.00 N ATOM 38 CA SER A 5 -27.340 -15.150 -4.786 1.00 0.00 C ATOM 39 C SER A 5 -27.935 -13.791 -5.142 1.00 0.00 C ATOM 40 O SER A 5 -27.798 -13.317 -6.269 1.00 0.00 O ATOM 41 CB SER A 5 -25.922 -15.263 -5.349 1.00 0.00 C ATOM 42 OG SER A 5 -25.914 -15.071 -6.753 1.00 0.00 O ATOM 0 H SER A 5 -28.020 -16.457 -6.280 1.00 0.00 H new ATOM 0 HA SER A 5 -27.300 -15.236 -3.700 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.279 -14.522 -4.874 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.510 -16.243 -5.110 1.00 0.00 H new ATOM 0 HG SER A 5 -26.580 -14.394 -6.994 1.00 0.00 H new ATOM 48 N SER A 6 -28.596 -13.169 -4.171 1.00 0.00 N ATOM 49 CA SER A 6 -29.216 -11.866 -4.381 1.00 0.00 C ATOM 50 C SER A 6 -28.157 -10.789 -4.593 1.00 0.00 C ATOM 51 O SER A 6 -27.825 -10.039 -3.676 1.00 0.00 O ATOM 52 CB SER A 6 -30.100 -11.500 -3.187 1.00 0.00 C ATOM 53 OG SER A 6 -31.374 -12.110 -3.290 1.00 0.00 O ATOM 0 H SER A 6 -28.716 -13.546 -3.231 1.00 0.00 H new ATOM 0 HA SER A 6 -29.834 -11.925 -5.277 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.616 -11.815 -2.262 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.215 -10.417 -3.134 1.00 0.00 H new ATOM 0 HG SER A 6 -31.919 -11.862 -2.514 1.00 0.00 H new ATOM 59 N GLY A 7 -27.628 -10.719 -5.812 1.00 0.00 N ATOM 60 CA GLY A 7 -26.612 -9.732 -6.124 1.00 0.00 C ATOM 61 C GLY A 7 -25.479 -9.728 -5.117 1.00 0.00 C ATOM 62 O GLY A 7 -25.322 -10.673 -4.344 1.00 0.00 O ATOM 0 H GLY A 7 -27.886 -11.329 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.210 -9.930 -7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.069 -8.743 -6.156 1.00 0.00 H new ATOM 66 N LEU A 8 -24.685 -8.663 -5.127 1.00 0.00 N ATOM 67 CA LEU A 8 -23.558 -8.540 -4.209 1.00 0.00 C ATOM 68 C LEU A 8 -23.833 -7.479 -3.148 1.00 0.00 C ATOM 69 O LEU A 8 -23.369 -6.344 -3.256 1.00 0.00 O ATOM 70 CB LEU A 8 -22.283 -8.189 -4.978 1.00 0.00 C ATOM 71 CG LEU A 8 -21.829 -9.208 -6.024 1.00 0.00 C ATOM 72 CD1 LEU A 8 -22.632 -9.050 -7.306 1.00 0.00 C ATOM 73 CD2 LEU A 8 -20.341 -9.059 -6.303 1.00 0.00 C ATOM 0 H LEU A 8 -24.801 -7.872 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 8 -23.422 -9.500 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -22.434 -7.231 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -21.475 -8.051 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 8 -22.006 -10.209 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -22.295 -9.783 -8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -23.690 -9.208 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -22.487 -8.046 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -20.036 -9.792 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -20.140 -8.055 -6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -19.780 -9.223 -5.383 1.00 0.00 H new ATOM 85 N ASP A 9 -24.589 -7.857 -2.123 1.00 0.00 N ATOM 86 CA ASP A 9 -24.924 -6.939 -1.040 1.00 0.00 C ATOM 87 C ASP A 9 -23.931 -7.071 0.110 1.00 0.00 C ATOM 88 O ASP A 9 -23.518 -6.074 0.704 1.00 0.00 O ATOM 89 CB ASP A 9 -26.344 -7.205 -0.538 1.00 0.00 C ATOM 90 CG ASP A 9 -27.355 -7.263 -1.666 1.00 0.00 C ATOM 91 OD1 ASP A 9 -27.325 -6.370 -2.538 1.00 0.00 O ATOM 92 OD2 ASP A 9 -28.177 -8.204 -1.677 1.00 0.00 O ATOM 0 H ASP A 9 -24.982 -8.793 -2.019 1.00 0.00 H new ATOM 0 HA ASP A 9 -24.869 -5.922 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -26.362 -8.147 0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -26.631 -6.422 0.163 1.00 0.00 H new ATOM 97 N TYR A 10 -23.553 -8.306 0.419 1.00 0.00 N ATOM 98 CA TYR A 10 -22.611 -8.568 1.501 1.00 0.00 C ATOM 99 C TYR A 10 -21.456 -7.572 1.472 1.00 0.00 C ATOM 100 O TYR A 10 -20.977 -7.130 2.516 1.00 0.00 O ATOM 101 CB TYR A 10 -22.071 -9.996 1.400 1.00 0.00 C ATOM 102 CG TYR A 10 -21.134 -10.207 0.232 1.00 0.00 C ATOM 103 CD1 TYR A 10 -21.479 -9.786 -1.046 1.00 0.00 C ATOM 104 CD2 TYR A 10 -19.903 -10.828 0.407 1.00 0.00 C ATOM 105 CE1 TYR A 10 -20.627 -9.978 -2.116 1.00 0.00 C ATOM 106 CE2 TYR A 10 -19.044 -11.023 -0.657 1.00 0.00 C ATOM 107 CZ TYR A 10 -19.411 -10.597 -1.917 1.00 0.00 C ATOM 108 OH TYR A 10 -18.558 -10.789 -2.980 1.00 0.00 O ATOM 0 H TYR A 10 -23.884 -9.141 -0.064 1.00 0.00 H new ATOM 0 HA TYR A 10 -23.142 -8.453 2.446 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -21.548 -10.244 2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -22.909 -10.687 1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -22.430 -9.300 -1.206 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -19.613 -11.164 1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -20.912 -9.645 -3.103 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.090 -11.506 -0.504 1.00 0.00 H new ATOM 0 HH TYR A 10 -17.744 -11.238 -2.669 1.00 0.00 H new ATOM 118 N GLN A 11 -21.014 -7.224 0.268 1.00 0.00 N ATOM 119 CA GLN A 11 -19.915 -6.280 0.101 1.00 0.00 C ATOM 120 C GLN A 11 -20.153 -5.017 0.922 1.00 0.00 C ATOM 121 O GLN A 11 -19.222 -4.455 1.499 1.00 0.00 O ATOM 122 CB GLN A 11 -19.745 -5.918 -1.375 1.00 0.00 C ATOM 123 CG GLN A 11 -20.829 -4.993 -1.904 1.00 0.00 C ATOM 124 CD GLN A 11 -20.470 -3.528 -1.754 1.00 0.00 C ATOM 125 OE1 GLN A 11 -21.156 -2.777 -1.060 1.00 0.00 O ATOM 126 NE2 GLN A 11 -19.390 -3.113 -2.405 1.00 0.00 N ATOM 0 H GLN A 11 -21.400 -7.581 -0.606 1.00 0.00 H new ATOM 0 HA GLN A 11 -19.002 -6.757 0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -18.774 -5.443 -1.514 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -19.740 -6.833 -1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -21.008 -5.213 -2.956 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -21.761 -5.191 -1.374 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -18.851 -3.770 -2.969 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.100 -2.137 -2.341 1.00 0.00 H new ATOM 135 N ARG A 12 -21.406 -4.576 0.970 1.00 0.00 N ATOM 136 CA ARG A 12 -21.766 -3.378 1.719 1.00 0.00 C ATOM 137 C ARG A 12 -20.856 -3.200 2.931 1.00 0.00 C ATOM 138 O ARG A 12 -20.447 -2.084 3.256 1.00 0.00 O ATOM 139 CB ARG A 12 -23.226 -3.453 2.171 1.00 0.00 C ATOM 140 CG ARG A 12 -23.881 -2.092 2.342 1.00 0.00 C ATOM 141 CD ARG A 12 -23.505 -1.456 3.671 1.00 0.00 C ATOM 142 NE ARG A 12 -24.298 -0.262 3.951 1.00 0.00 N ATOM 143 CZ ARG A 12 -23.978 0.951 3.514 1.00 0.00 C ATOM 144 NH1 ARG A 12 -22.888 1.130 2.781 1.00 0.00 N ATOM 145 NH2 ARG A 12 -24.750 1.989 3.810 1.00 0.00 N ATOM 0 H ARG A 12 -22.189 -5.030 0.499 1.00 0.00 H new ATOM 0 HA ARG A 12 -21.639 -2.518 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -23.794 -4.031 1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -23.278 -3.993 3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -23.579 -1.436 1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -24.964 -2.198 2.282 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -23.646 -2.181 4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -22.447 -1.194 3.661 1.00 0.00 H new ATOM 0 HE ARG A 12 -25.143 -0.365 4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -22.292 0.335 2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -22.645 2.063 2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -25.590 1.856 4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -24.504 2.920 3.474 1.00 0.00 H new ATOM 159 N LEU A 13 -20.542 -4.307 3.595 1.00 0.00 N ATOM 160 CA LEU A 13 -19.680 -4.274 4.772 1.00 0.00 C ATOM 161 C LEU A 13 -18.543 -3.274 4.587 1.00 0.00 C ATOM 162 O LEU A 13 -18.204 -2.906 3.462 1.00 0.00 O ATOM 163 CB LEU A 13 -19.110 -5.666 5.050 1.00 0.00 C ATOM 164 CG LEU A 13 -18.576 -6.427 3.836 1.00 0.00 C ATOM 165 CD1 LEU A 13 -17.095 -6.147 3.639 1.00 0.00 C ATOM 166 CD2 LEU A 13 -18.822 -7.921 3.993 1.00 0.00 C ATOM 0 H LEU A 13 -20.871 -5.238 3.339 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.282 -3.958 5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -18.303 -5.568 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -19.888 -6.269 5.518 1.00 0.00 H new ATOM 0 HG LEU A 13 -19.110 -6.082 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -16.733 -6.697 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -16.945 -5.079 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -16.544 -6.464 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -18.436 -8.447 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -18.314 -8.281 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -19.892 -8.106 4.084 1.00 0.00 H new ATOM 178 N TYR A 14 -17.957 -2.841 5.697 1.00 0.00 N ATOM 179 CA TYR A 14 -16.858 -1.883 5.657 1.00 0.00 C ATOM 180 C TYR A 14 -16.020 -2.068 4.395 1.00 0.00 C ATOM 181 O TYR A 14 -15.823 -1.129 3.625 1.00 0.00 O ATOM 182 CB TYR A 14 -15.974 -2.037 6.896 1.00 0.00 C ATOM 183 CG TYR A 14 -15.339 -3.404 7.021 1.00 0.00 C ATOM 184 CD1 TYR A 14 -16.103 -4.520 7.342 1.00 0.00 C ATOM 185 CD2 TYR A 14 -13.976 -3.580 6.819 1.00 0.00 C ATOM 186 CE1 TYR A 14 -15.527 -5.770 7.458 1.00 0.00 C ATOM 187 CE2 TYR A 14 -13.392 -4.826 6.931 1.00 0.00 C ATOM 188 CZ TYR A 14 -14.172 -5.918 7.251 1.00 0.00 C ATOM 189 OH TYR A 14 -13.594 -7.162 7.365 1.00 0.00 O ATOM 0 H TYR A 14 -18.224 -3.138 6.636 1.00 0.00 H new ATOM 0 HA TYR A 14 -17.284 -0.880 5.645 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -15.188 -1.282 6.868 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -16.572 -1.841 7.786 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -17.165 -4.408 7.503 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -13.362 -2.727 6.570 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -16.135 -6.627 7.709 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.331 -4.945 6.769 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.633 -7.094 7.187 1.00 0.00 H new ATOM 199 N GLY A 15 -15.530 -3.287 4.191 1.00 0.00 N ATOM 200 CA GLY A 15 -14.720 -3.574 3.022 1.00 0.00 C ATOM 201 C GLY A 15 -13.448 -2.750 2.981 1.00 0.00 C ATOM 202 O GLY A 15 -13.480 -1.535 3.178 1.00 0.00 O ATOM 0 H GLY A 15 -15.680 -4.080 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.463 -4.633 3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.304 -3.380 2.122 1.00 0.00 H new ATOM 206 N THR A 16 -12.324 -3.411 2.725 1.00 0.00 N ATOM 207 CA THR A 16 -11.035 -2.733 2.661 1.00 0.00 C ATOM 208 C THR A 16 -10.437 -2.819 1.262 1.00 0.00 C ATOM 209 O THR A 16 -9.900 -3.854 0.869 1.00 0.00 O ATOM 210 CB THR A 16 -10.036 -3.328 3.672 1.00 0.00 C ATOM 211 OG1 THR A 16 -10.527 -3.154 5.006 1.00 0.00 O ATOM 212 CG2 THR A 16 -8.672 -2.669 3.537 1.00 0.00 C ATOM 0 H THR A 16 -12.280 -4.416 2.558 1.00 0.00 H new ATOM 0 HA THR A 16 -11.215 -1.688 2.912 1.00 0.00 H new ATOM 0 HB THR A 16 -9.929 -4.392 3.461 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.887 -3.536 5.642 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.984 -3.105 4.261 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.289 -2.829 2.529 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.765 -1.599 3.724 1.00 0.00 H new ATOM 220 N ARG A 17 -10.533 -1.724 0.514 1.00 0.00 N ATOM 221 CA ARG A 17 -10.001 -1.676 -0.842 1.00 0.00 C ATOM 222 C ARG A 17 -8.675 -0.923 -0.880 1.00 0.00 C ATOM 223 O ARG A 17 -8.590 0.228 -0.450 1.00 0.00 O ATOM 224 CB ARG A 17 -11.006 -1.009 -1.783 1.00 0.00 C ATOM 225 CG ARG A 17 -10.883 -1.466 -3.228 1.00 0.00 C ATOM 226 CD ARG A 17 -11.602 -0.517 -4.175 1.00 0.00 C ATOM 227 NE ARG A 17 -13.034 -0.794 -4.245 1.00 0.00 N ATOM 228 CZ ARG A 17 -13.782 -0.530 -5.310 1.00 0.00 C ATOM 229 NH1 ARG A 17 -13.237 0.014 -6.389 1.00 0.00 N ATOM 230 NH2 ARG A 17 -15.079 -0.811 -5.297 1.00 0.00 N ATOM 0 H ARG A 17 -10.974 -0.859 0.825 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.827 -2.700 -1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.016 -1.218 -1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.870 0.072 -1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.830 -1.528 -3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.299 -2.468 -3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.447 0.510 -3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.168 -0.601 -5.171 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.484 -1.213 -3.431 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.240 0.231 -6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.814 0.216 -7.205 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.502 -1.230 -4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.653 -0.608 -6.115 1.00 0.00 H new ATOM 244 N CYS A 18 -7.642 -1.580 -1.397 1.00 0.00 N ATOM 245 CA CYS A 18 -6.319 -0.974 -1.491 1.00 0.00 C ATOM 246 C CYS A 18 -6.394 0.394 -2.162 1.00 0.00 C ATOM 247 O CYS A 18 -6.923 0.528 -3.266 1.00 0.00 O ATOM 248 CB CYS A 18 -5.371 -1.886 -2.271 1.00 0.00 C ATOM 249 SG CYS A 18 -3.691 -1.213 -2.475 1.00 0.00 S ATOM 0 H CYS A 18 -7.696 -2.533 -1.757 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.935 -0.842 -0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.306 -2.847 -1.760 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.796 -2.077 -3.256 1.00 0.00 H new ATOM 254 N PHE A 19 -5.861 1.408 -1.489 1.00 0.00 N ATOM 255 CA PHE A 19 -5.867 2.766 -2.020 1.00 0.00 C ATOM 256 C PHE A 19 -4.700 2.981 -2.979 1.00 0.00 C ATOM 257 O PHE A 19 -4.191 4.094 -3.115 1.00 0.00 O ATOM 258 CB PHE A 19 -5.798 3.783 -0.878 1.00 0.00 C ATOM 259 CG PHE A 19 -7.146 4.242 -0.401 1.00 0.00 C ATOM 260 CD1 PHE A 19 -7.888 5.146 -1.143 1.00 0.00 C ATOM 261 CD2 PHE A 19 -7.671 3.769 0.791 1.00 0.00 C ATOM 262 CE1 PHE A 19 -9.129 5.569 -0.707 1.00 0.00 C ATOM 263 CE2 PHE A 19 -8.911 4.189 1.232 1.00 0.00 C ATOM 264 CZ PHE A 19 -9.641 5.091 0.483 1.00 0.00 C ATOM 0 H PHE A 19 -5.419 1.315 -0.574 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.797 2.910 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.257 3.341 -0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.224 4.649 -1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.492 5.525 -2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.105 3.064 1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.698 6.273 -1.296 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.310 3.812 2.162 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.610 5.422 0.827 1.00 0.00 H new ATOM 274 N SER A 20 -4.281 1.907 -3.641 1.00 0.00 N ATOM 275 CA SER A 20 -3.171 1.976 -4.584 1.00 0.00 C ATOM 276 C SER A 20 -3.586 1.440 -5.951 1.00 0.00 C ATOM 277 O SER A 20 -3.509 2.146 -6.957 1.00 0.00 O ATOM 278 CB SER A 20 -1.974 1.184 -4.055 1.00 0.00 C ATOM 279 OG SER A 20 -0.753 1.740 -4.510 1.00 0.00 O ATOM 0 H SER A 20 -4.693 0.979 -3.542 1.00 0.00 H new ATOM 0 HA SER A 20 -2.885 3.022 -4.694 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.991 1.178 -2.965 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.048 0.146 -4.380 1.00 0.00 H new ATOM 0 HG SER A 20 -0.051 1.577 -3.846 1.00 0.00 H new ATOM 285 N CYS A 21 -4.025 0.186 -5.979 1.00 0.00 N ATOM 286 CA CYS A 21 -4.452 -0.447 -7.221 1.00 0.00 C ATOM 287 C CYS A 21 -5.974 -0.535 -7.291 1.00 0.00 C ATOM 288 O CYS A 21 -6.533 -1.036 -8.267 1.00 0.00 O ATOM 289 CB CYS A 21 -3.844 -1.846 -7.339 1.00 0.00 C ATOM 290 SG CYS A 21 -4.213 -2.939 -5.929 1.00 0.00 S ATOM 0 H CYS A 21 -4.094 -0.412 -5.156 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.102 0.166 -8.052 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.210 -2.314 -8.253 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.763 -1.753 -7.440 1.00 0.00 H new ATOM 295 N ASP A 22 -6.638 -0.044 -6.251 1.00 0.00 N ATOM 296 CA ASP A 22 -8.095 -0.065 -6.194 1.00 0.00 C ATOM 297 C ASP A 22 -8.620 -1.496 -6.245 1.00 0.00 C ATOM 298 O ASP A 22 -9.445 -1.835 -7.093 1.00 0.00 O ATOM 299 CB ASP A 22 -8.683 0.748 -7.349 1.00 0.00 C ATOM 300 CG ASP A 22 -8.777 2.227 -7.027 1.00 0.00 C ATOM 301 OD1 ASP A 22 -9.131 2.562 -5.877 1.00 0.00 O ATOM 302 OD2 ASP A 22 -8.496 3.048 -7.924 1.00 0.00 O ATOM 0 H ASP A 22 -6.190 0.374 -5.435 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.404 0.383 -5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.066 0.611 -8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.676 0.367 -7.589 1.00 0.00 H new ATOM 307 N GLN A 23 -8.136 -2.331 -5.331 1.00 0.00 N ATOM 308 CA GLN A 23 -8.556 -3.726 -5.273 1.00 0.00 C ATOM 309 C GLN A 23 -8.807 -4.160 -3.833 1.00 0.00 C ATOM 310 O GLN A 23 -8.058 -3.797 -2.925 1.00 0.00 O ATOM 311 CB GLN A 23 -7.497 -4.626 -5.913 1.00 0.00 C ATOM 312 CG GLN A 23 -7.203 -4.283 -7.364 1.00 0.00 C ATOM 313 CD GLN A 23 -8.424 -4.415 -8.254 1.00 0.00 C ATOM 314 OE1 GLN A 23 -8.753 -3.346 -8.969 1.00 0.00 O flip ATOM 315 NE2 GLN A 23 -9.064 -5.466 -8.298 1.00 0.00 N flip ATOM 0 H GLN A 23 -7.453 -2.066 -4.621 1.00 0.00 H new ATOM 0 HA GLN A 23 -9.489 -3.822 -5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.574 -4.553 -5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.829 -5.662 -5.854 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.824 -3.263 -7.423 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.415 -4.938 -7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.775 -6.263 -7.731 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.883 -5.539 -8.901 1.00 0.00 H new ATOM 324 N PHE A 24 -9.864 -4.939 -3.630 1.00 0.00 N ATOM 325 CA PHE A 24 -10.214 -5.422 -2.299 1.00 0.00 C ATOM 326 C PHE A 24 -9.076 -6.243 -1.701 1.00 0.00 C ATOM 327 O PHE A 24 -8.688 -7.276 -2.248 1.00 0.00 O ATOM 328 CB PHE A 24 -11.490 -6.265 -2.358 1.00 0.00 C ATOM 329 CG PHE A 24 -12.744 -5.446 -2.468 1.00 0.00 C ATOM 330 CD1 PHE A 24 -12.838 -4.417 -3.392 1.00 0.00 C ATOM 331 CD2 PHE A 24 -13.831 -5.706 -1.648 1.00 0.00 C ATOM 332 CE1 PHE A 24 -13.991 -3.662 -3.494 1.00 0.00 C ATOM 333 CE2 PHE A 24 -14.987 -4.954 -1.746 1.00 0.00 C ATOM 334 CZ PHE A 24 -15.067 -3.932 -2.671 1.00 0.00 C ATOM 0 H PHE A 24 -10.493 -5.250 -4.370 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.388 -4.556 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.431 -6.941 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -11.548 -6.885 -1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -12.001 -4.203 -4.040 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -13.774 -6.505 -0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.051 -2.862 -4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -15.826 -5.166 -1.100 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.970 -3.344 -2.751 1.00 0.00 H new ATOM 344 N ILE A 25 -8.544 -5.776 -0.577 1.00 0.00 N ATOM 345 CA ILE A 25 -7.451 -6.467 0.095 1.00 0.00 C ATOM 346 C ILE A 25 -7.967 -7.641 0.920 1.00 0.00 C ATOM 347 O ILE A 25 -8.619 -7.451 1.946 1.00 0.00 O ATOM 348 CB ILE A 25 -6.664 -5.515 1.015 1.00 0.00 C ATOM 349 CG1 ILE A 25 -6.186 -4.291 0.230 1.00 0.00 C ATOM 350 CG2 ILE A 25 -5.484 -6.241 1.644 1.00 0.00 C ATOM 351 CD1 ILE A 25 -5.658 -3.178 1.108 1.00 0.00 C ATOM 0 H ILE A 25 -8.852 -4.922 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.786 -6.838 -0.685 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.325 -5.176 1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.403 -4.598 -0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.012 -3.909 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.938 -5.555 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.847 -7.084 2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.821 -6.605 0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.337 -2.344 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.445 -2.844 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.811 -3.543 1.689 1.00 0.00 H new ATOM 363 N GLU A 26 -7.669 -8.854 0.465 1.00 0.00 N ATOM 364 CA GLU A 26 -8.102 -10.059 1.162 1.00 0.00 C ATOM 365 C GLU A 26 -6.950 -10.676 1.950 1.00 0.00 C ATOM 366 O GLU A 26 -5.782 -10.492 1.609 1.00 0.00 O ATOM 367 CB GLU A 26 -8.658 -11.079 0.166 1.00 0.00 C ATOM 368 CG GLU A 26 -9.026 -12.410 0.800 1.00 0.00 C ATOM 369 CD GLU A 26 -9.518 -13.423 -0.215 1.00 0.00 C ATOM 370 OE1 GLU A 26 -8.673 -14.110 -0.826 1.00 0.00 O ATOM 371 OE2 GLU A 26 -10.749 -13.529 -0.399 1.00 0.00 O ATOM 0 H GLU A 26 -7.130 -9.028 -0.383 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.889 -9.780 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.541 -10.659 -0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.919 -11.251 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.157 -12.814 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.799 -12.249 1.551 1.00 0.00 H new ATOM 378 N GLY A 27 -7.289 -11.409 3.006 1.00 0.00 N ATOM 379 CA GLY A 27 -6.273 -12.042 3.827 1.00 0.00 C ATOM 380 C GLY A 27 -5.737 -11.117 4.902 1.00 0.00 C ATOM 381 O GLY A 27 -5.959 -11.343 6.091 1.00 0.00 O ATOM 0 H GLY A 27 -8.249 -11.576 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.691 -12.933 4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.450 -12.371 3.192 1.00 0.00 H new ATOM 385 N GLU A 28 -5.028 -10.073 4.483 1.00 0.00 N ATOM 386 CA GLU A 28 -4.457 -9.113 5.420 1.00 0.00 C ATOM 387 C GLU A 28 -4.294 -7.744 4.765 1.00 0.00 C ATOM 388 O GLU A 28 -3.980 -7.645 3.579 1.00 0.00 O ATOM 389 CB GLU A 28 -3.104 -9.609 5.933 1.00 0.00 C ATOM 390 CG GLU A 28 -2.430 -8.651 6.900 1.00 0.00 C ATOM 391 CD GLU A 28 -1.456 -9.348 7.829 1.00 0.00 C ATOM 392 OE1 GLU A 28 -1.899 -10.216 8.610 1.00 0.00 O ATOM 393 OE2 GLU A 28 -0.251 -9.027 7.776 1.00 0.00 O ATOM 0 H GLU A 28 -4.836 -9.871 3.502 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.142 -9.015 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.243 -10.571 6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.443 -9.779 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.901 -7.883 6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.191 -8.144 7.492 1.00 0.00 H new ATOM 400 N VAL A 29 -4.512 -6.691 5.547 1.00 0.00 N ATOM 401 CA VAL A 29 -4.389 -5.328 5.044 1.00 0.00 C ATOM 402 C VAL A 29 -3.439 -4.507 5.909 1.00 0.00 C ATOM 403 O VAL A 29 -3.459 -4.604 7.136 1.00 0.00 O ATOM 404 CB VAL A 29 -5.757 -4.623 4.993 1.00 0.00 C ATOM 405 CG1 VAL A 29 -6.457 -4.716 6.341 1.00 0.00 C ATOM 406 CG2 VAL A 29 -5.593 -3.172 4.566 1.00 0.00 C ATOM 0 H VAL A 29 -4.774 -6.756 6.531 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.987 -5.399 4.033 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.379 -5.127 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.422 -4.212 6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.609 -5.764 6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.842 -4.239 7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.570 -2.689 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.954 -2.653 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.138 -3.133 3.576 1.00 0.00 H new ATOM 416 N VAL A 30 -2.607 -3.697 5.261 1.00 0.00 N ATOM 417 CA VAL A 30 -1.650 -2.857 5.971 1.00 0.00 C ATOM 418 C VAL A 30 -2.165 -1.428 6.102 1.00 0.00 C ATOM 419 O VAL A 30 -2.021 -0.619 5.186 1.00 0.00 O ATOM 420 CB VAL A 30 -0.285 -2.836 5.257 1.00 0.00 C ATOM 421 CG1 VAL A 30 0.685 -1.921 5.988 1.00 0.00 C ATOM 422 CG2 VAL A 30 0.279 -4.244 5.146 1.00 0.00 C ATOM 0 H VAL A 30 -2.577 -3.605 4.246 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.526 -3.288 6.965 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.427 -2.445 4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.644 -1.919 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.283 -0.908 6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.825 -2.279 7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.243 -4.211 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.408 -4.664 6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.409 -4.868 4.576 1.00 0.00 H new ATOM 432 N SER A 31 -2.764 -1.124 7.249 1.00 0.00 N ATOM 433 CA SER A 31 -3.304 0.207 7.499 1.00 0.00 C ATOM 434 C SER A 31 -2.189 1.187 7.852 1.00 0.00 C ATOM 435 O SER A 31 -1.601 1.114 8.930 1.00 0.00 O ATOM 436 CB SER A 31 -4.333 0.159 8.631 1.00 0.00 C ATOM 437 OG SER A 31 -4.700 1.464 9.042 1.00 0.00 O ATOM 0 H SER A 31 -2.887 -1.781 8.019 1.00 0.00 H new ATOM 0 HA SER A 31 -3.793 0.551 6.588 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.218 -0.384 8.299 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.921 -0.390 9.478 1.00 0.00 H new ATOM 0 HG SER A 31 -5.359 1.406 9.765 1.00 0.00 H new ATOM 443 N ALA A 32 -1.905 2.105 6.934 1.00 0.00 N ATOM 444 CA ALA A 32 -0.863 3.102 7.147 1.00 0.00 C ATOM 445 C ALA A 32 -1.331 4.487 6.715 1.00 0.00 C ATOM 446 O ALA A 32 -2.079 4.626 5.746 1.00 0.00 O ATOM 447 CB ALA A 32 0.402 2.712 6.397 1.00 0.00 C ATOM 0 H ALA A 32 -2.382 2.179 6.035 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.643 3.139 8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.172 3.465 6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.755 1.746 6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.187 2.645 5.331 1.00 0.00 H new ATOM 453 N LEU A 33 -0.888 5.509 7.438 1.00 0.00 N ATOM 454 CA LEU A 33 -1.262 6.885 7.129 1.00 0.00 C ATOM 455 C LEU A 33 -2.777 7.023 7.010 1.00 0.00 C ATOM 456 O LEU A 33 -3.281 7.655 6.083 1.00 0.00 O ATOM 457 CB LEU A 33 -0.594 7.337 5.830 1.00 0.00 C ATOM 458 CG LEU A 33 0.898 7.663 5.921 1.00 0.00 C ATOM 459 CD1 LEU A 33 1.134 8.817 6.883 1.00 0.00 C ATOM 460 CD2 LEU A 33 1.687 6.436 6.352 1.00 0.00 C ATOM 0 H LEU A 33 -0.269 5.411 8.243 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.920 7.521 7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.730 6.554 5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.117 8.221 5.464 1.00 0.00 H new ATOM 0 HG LEU A 33 1.246 7.964 4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.201 9.035 6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.600 9.700 6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.771 8.545 7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.746 6.687 6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.338 6.104 7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.544 5.637 5.624 1.00 0.00 H new ATOM 472 N GLY A 34 -3.497 6.430 7.957 1.00 0.00 N ATOM 473 CA GLY A 34 -4.946 6.500 7.941 1.00 0.00 C ATOM 474 C GLY A 34 -5.535 6.028 6.627 1.00 0.00 C ATOM 475 O GLY A 34 -6.508 6.598 6.133 1.00 0.00 O ATOM 0 H GLY A 34 -3.102 5.902 8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.345 5.893 8.753 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.259 7.527 8.128 1.00 0.00 H new ATOM 479 N LYS A 35 -4.943 4.984 6.056 1.00 0.00 N ATOM 480 CA LYS A 35 -5.414 4.435 4.790 1.00 0.00 C ATOM 481 C LYS A 35 -5.140 2.936 4.712 1.00 0.00 C ATOM 482 O LYS A 35 -4.543 2.355 5.620 1.00 0.00 O ATOM 483 CB LYS A 35 -4.738 5.150 3.618 1.00 0.00 C ATOM 484 CG LYS A 35 -5.011 6.643 3.577 1.00 0.00 C ATOM 485 CD LYS A 35 -6.461 6.936 3.228 1.00 0.00 C ATOM 486 CE LYS A 35 -6.736 6.704 1.750 1.00 0.00 C ATOM 487 NZ LYS A 35 -6.187 7.800 0.905 1.00 0.00 N ATOM 0 H LYS A 35 -4.136 4.501 6.450 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.491 4.593 4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.662 4.987 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.078 4.701 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.773 7.084 4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.357 7.113 2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.116 6.301 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.697 7.969 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.297 5.755 1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.811 6.625 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.510 7.677 -0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.519 8.717 1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.148 7.773 0.933 1.00 0.00 H new ATOM 501 N THR A 36 -5.577 2.315 3.621 1.00 0.00 N ATOM 502 CA THR A 36 -5.379 0.885 3.425 1.00 0.00 C ATOM 503 C THR A 36 -4.611 0.608 2.137 1.00 0.00 C ATOM 504 O THR A 36 -4.910 1.181 1.089 1.00 0.00 O ATOM 505 CB THR A 36 -6.722 0.132 3.380 1.00 0.00 C ATOM 506 OG1 THR A 36 -7.554 0.676 2.349 1.00 0.00 O ATOM 507 CG2 THR A 36 -7.439 0.224 4.718 1.00 0.00 C ATOM 0 H THR A 36 -6.071 2.781 2.859 1.00 0.00 H new ATOM 0 HA THR A 36 -4.799 0.527 4.276 1.00 0.00 H new ATOM 0 HB THR A 36 -6.518 -0.917 3.166 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.504 0.106 1.553 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.385 -0.315 4.662 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.816 -0.217 5.496 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.631 1.270 4.957 1.00 0.00 H new ATOM 515 N TYR A 37 -3.621 -0.273 2.222 1.00 0.00 N ATOM 516 CA TYR A 37 -2.809 -0.625 1.063 1.00 0.00 C ATOM 517 C TYR A 37 -2.437 -2.104 1.087 1.00 0.00 C ATOM 518 O TYR A 37 -2.679 -2.802 2.073 1.00 0.00 O ATOM 519 CB TYR A 37 -1.541 0.231 1.024 1.00 0.00 C ATOM 520 CG TYR A 37 -1.815 1.714 0.915 1.00 0.00 C ATOM 521 CD1 TYR A 37 -2.363 2.255 -0.242 1.00 0.00 C ATOM 522 CD2 TYR A 37 -1.525 2.573 1.967 1.00 0.00 C ATOM 523 CE1 TYR A 37 -2.614 3.610 -0.347 1.00 0.00 C ATOM 524 CE2 TYR A 37 -1.774 3.929 1.872 1.00 0.00 C ATOM 525 CZ TYR A 37 -2.318 4.442 0.713 1.00 0.00 C ATOM 526 OH TYR A 37 -2.567 5.792 0.613 1.00 0.00 O ATOM 0 H TYR A 37 -3.361 -0.757 3.082 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.398 -0.432 0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.958 0.043 1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.929 -0.080 0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.597 1.606 -1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.097 2.174 2.875 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.039 4.015 -1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.544 4.583 2.700 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.303 6.236 1.446 1.00 0.00 H new ATOM 536 N HIS A 38 -1.846 -2.577 -0.006 1.00 0.00 N ATOM 537 CA HIS A 38 -1.438 -3.973 -0.111 1.00 0.00 C ATOM 538 C HIS A 38 -0.033 -4.173 0.450 1.00 0.00 C ATOM 539 O HIS A 38 0.739 -3.227 0.608 1.00 0.00 O ATOM 540 CB HIS A 38 -1.488 -4.432 -1.569 1.00 0.00 C ATOM 541 CG HIS A 38 -2.799 -5.041 -1.961 1.00 0.00 C ATOM 542 ND1 HIS A 38 -3.527 -4.621 -3.053 1.00 0.00 N ATOM 543 CD2 HIS A 38 -3.511 -6.046 -1.399 1.00 0.00 C ATOM 544 CE1 HIS A 38 -4.632 -5.340 -3.146 1.00 0.00 C ATOM 545 NE2 HIS A 38 -4.645 -6.212 -2.155 1.00 0.00 N ATOM 0 H HIS A 38 -1.639 -2.014 -0.831 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.133 -4.574 0.476 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.285 -3.579 -2.217 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.694 -5.159 -1.740 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.238 -6.611 -0.520 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.394 -5.232 -3.903 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -5.379 -6.898 -1.979 1.00 0.00 H new ATOM 553 N PRO A 39 0.307 -5.433 0.760 1.00 0.00 N ATOM 554 CA PRO A 39 1.620 -5.786 1.308 1.00 0.00 C ATOM 555 C PRO A 39 2.737 -5.632 0.282 1.00 0.00 C ATOM 556 O PRO A 39 3.918 -5.720 0.618 1.00 0.00 O ATOM 557 CB PRO A 39 1.455 -7.255 1.704 1.00 0.00 C ATOM 558 CG PRO A 39 0.371 -7.767 0.819 1.00 0.00 C ATOM 559 CD PRO A 39 -0.563 -6.610 0.598 1.00 0.00 C ATOM 0 HA PRO A 39 1.905 -5.137 2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.381 -7.811 1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.187 -7.354 2.756 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.776 -8.127 -0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.149 -8.605 1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.015 -6.642 -0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.379 -6.609 1.320 1.00 0.00 H new ATOM 567 N ASP A 40 2.357 -5.402 -0.970 1.00 0.00 N ATOM 568 CA ASP A 40 3.327 -5.235 -2.046 1.00 0.00 C ATOM 569 C ASP A 40 3.188 -3.861 -2.694 1.00 0.00 C ATOM 570 O ASP A 40 4.084 -3.405 -3.406 1.00 0.00 O ATOM 571 CB ASP A 40 3.148 -6.330 -3.098 1.00 0.00 C ATOM 572 CG ASP A 40 4.089 -6.161 -4.275 1.00 0.00 C ATOM 573 OD1 ASP A 40 5.308 -6.363 -4.094 1.00 0.00 O ATOM 574 OD2 ASP A 40 3.606 -5.829 -5.377 1.00 0.00 O ATOM 0 H ASP A 40 1.383 -5.327 -1.265 1.00 0.00 H new ATOM 0 HA ASP A 40 4.326 -5.315 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.318 -7.303 -2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.118 -6.322 -3.456 1.00 0.00 H new ATOM 579 N CYS A 41 2.059 -3.206 -2.445 1.00 0.00 N ATOM 580 CA CYS A 41 1.801 -1.885 -3.005 1.00 0.00 C ATOM 581 C CYS A 41 2.432 -0.796 -2.142 1.00 0.00 C ATOM 582 O CYS A 41 2.818 0.261 -2.642 1.00 0.00 O ATOM 583 CB CYS A 41 0.295 -1.646 -3.127 1.00 0.00 C ATOM 584 SG CYS A 41 -0.501 -2.583 -4.471 1.00 0.00 S ATOM 0 H CYS A 41 1.308 -3.569 -1.858 1.00 0.00 H new ATOM 0 HA CYS A 41 2.250 -1.844 -3.997 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.181 -1.910 -2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.119 -0.582 -3.286 1.00 0.00 H new ATOM 589 N PHE A 42 2.534 -1.062 -0.844 1.00 0.00 N ATOM 590 CA PHE A 42 3.118 -0.104 0.088 1.00 0.00 C ATOM 591 C PHE A 42 4.642 -0.145 0.027 1.00 0.00 C ATOM 592 O PHE A 42 5.317 -0.107 1.055 1.00 0.00 O ATOM 593 CB PHE A 42 2.646 -0.397 1.514 1.00 0.00 C ATOM 594 CG PHE A 42 3.228 0.533 2.540 1.00 0.00 C ATOM 595 CD1 PHE A 42 2.994 1.897 2.471 1.00 0.00 C ATOM 596 CD2 PHE A 42 4.008 0.043 3.575 1.00 0.00 C ATOM 597 CE1 PHE A 42 3.529 2.754 3.414 1.00 0.00 C ATOM 598 CE2 PHE A 42 4.545 0.895 4.521 1.00 0.00 C ATOM 599 CZ PHE A 42 4.305 2.253 4.441 1.00 0.00 C ATOM 0 H PHE A 42 2.220 -1.932 -0.414 1.00 0.00 H new ATOM 0 HA PHE A 42 2.787 0.894 -0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.559 -0.330 1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.911 -1.422 1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.387 2.295 1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.199 -1.018 3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.340 3.815 3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.152 0.500 5.322 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.723 2.921 5.179 1.00 0.00 H new ATOM 609 N VAL A 43 5.177 -0.222 -1.188 1.00 0.00 N ATOM 610 CA VAL A 43 6.621 -0.268 -1.385 1.00 0.00 C ATOM 611 C VAL A 43 7.123 1.003 -2.060 1.00 0.00 C ATOM 612 O VAL A 43 6.337 1.880 -2.422 1.00 0.00 O ATOM 613 CB VAL A 43 7.033 -1.484 -2.235 1.00 0.00 C ATOM 614 CG1 VAL A 43 6.476 -2.767 -1.637 1.00 0.00 C ATOM 615 CG2 VAL A 43 6.569 -1.311 -3.673 1.00 0.00 C ATOM 0 H VAL A 43 4.632 -0.254 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 43 7.073 -0.355 -0.397 1.00 0.00 H new ATOM 0 HB VAL A 43 8.121 -1.554 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.777 -3.616 -2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.863 -2.895 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.388 -2.711 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.869 -2.180 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.483 -1.215 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.022 -0.414 -4.096 1.00 0.00 H new ATOM 625 N CYS A 44 8.438 1.098 -2.228 1.00 0.00 N ATOM 626 CA CYS A 44 9.047 2.262 -2.860 1.00 0.00 C ATOM 627 C CYS A 44 8.378 2.567 -4.197 1.00 0.00 C ATOM 628 O CYS A 44 7.935 1.662 -4.902 1.00 0.00 O ATOM 629 CB CYS A 44 10.545 2.029 -3.068 1.00 0.00 C ATOM 630 SG CYS A 44 11.438 3.475 -3.726 1.00 0.00 S ATOM 0 H CYS A 44 9.103 0.382 -1.935 1.00 0.00 H new ATOM 0 HA CYS A 44 8.907 3.118 -2.200 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.993 1.741 -2.117 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.680 1.190 -3.751 1.00 0.00 H new ATOM 635 N ALA A 45 8.309 3.850 -4.538 1.00 0.00 N ATOM 636 CA ALA A 45 7.697 4.276 -5.790 1.00 0.00 C ATOM 637 C ALA A 45 8.754 4.541 -6.856 1.00 0.00 C ATOM 638 O ALA A 45 8.491 5.215 -7.852 1.00 0.00 O ATOM 639 CB ALA A 45 6.847 5.517 -5.567 1.00 0.00 C ATOM 0 H ALA A 45 8.670 4.612 -3.964 1.00 0.00 H new ATOM 0 HA ALA A 45 7.056 3.469 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.396 5.824 -6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.061 5.295 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.473 6.323 -5.185 1.00 0.00 H new ATOM 645 N VAL A 46 9.952 4.007 -6.641 1.00 0.00 N ATOM 646 CA VAL A 46 11.050 4.186 -7.583 1.00 0.00 C ATOM 647 C VAL A 46 11.625 2.843 -8.019 1.00 0.00 C ATOM 648 O VAL A 46 11.625 2.509 -9.204 1.00 0.00 O ATOM 649 CB VAL A 46 12.177 5.042 -6.976 1.00 0.00 C ATOM 650 CG1 VAL A 46 13.277 5.281 -8.000 1.00 0.00 C ATOM 651 CG2 VAL A 46 11.624 6.361 -6.458 1.00 0.00 C ATOM 0 H VAL A 46 10.187 3.446 -5.822 1.00 0.00 H new ATOM 0 HA VAL A 46 10.640 4.702 -8.452 1.00 0.00 H new ATOM 0 HB VAL A 46 12.608 4.500 -6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.065 5.888 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.692 4.325 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.863 5.802 -8.863 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.434 6.953 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.165 6.911 -7.280 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.876 6.165 -5.690 1.00 0.00 H new ATOM 661 N CYS A 47 12.115 2.074 -7.052 1.00 0.00 N ATOM 662 CA CYS A 47 12.694 0.766 -7.334 1.00 0.00 C ATOM 663 C CYS A 47 11.673 -0.343 -7.097 1.00 0.00 C ATOM 664 O CYS A 47 11.874 -1.485 -7.511 1.00 0.00 O ATOM 665 CB CYS A 47 13.929 0.532 -6.461 1.00 0.00 C ATOM 666 SG CYS A 47 13.597 0.597 -4.671 1.00 0.00 S ATOM 0 H CYS A 47 12.123 2.334 -6.066 1.00 0.00 H new ATOM 0 HA CYS A 47 12.990 0.746 -8.383 1.00 0.00 H new ATOM 0 HB2 CYS A 47 14.355 -0.441 -6.706 1.00 0.00 H new ATOM 0 HB3 CYS A 47 14.682 1.280 -6.707 1.00 0.00 H new ATOM 671 N ARG A 48 10.577 0.002 -6.428 1.00 0.00 N ATOM 672 CA ARG A 48 9.526 -0.964 -6.135 1.00 0.00 C ATOM 673 C ARG A 48 10.061 -2.108 -5.279 1.00 0.00 C ATOM 674 O ARG A 48 9.848 -3.281 -5.588 1.00 0.00 O ATOM 675 CB ARG A 48 8.936 -1.517 -7.434 1.00 0.00 C ATOM 676 CG ARG A 48 8.261 -0.462 -8.294 1.00 0.00 C ATOM 677 CD ARG A 48 6.820 -0.230 -7.864 1.00 0.00 C ATOM 678 NE ARG A 48 6.053 0.480 -8.883 1.00 0.00 N ATOM 679 CZ ARG A 48 4.731 0.407 -8.991 1.00 0.00 C ATOM 680 NH1 ARG A 48 4.033 -0.340 -8.147 1.00 0.00 N ATOM 681 NH2 ARG A 48 4.103 1.084 -9.945 1.00 0.00 N ATOM 0 H ARG A 48 10.395 0.943 -6.079 1.00 0.00 H new ATOM 0 HA ARG A 48 8.742 -0.452 -5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.730 -1.990 -8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.211 -2.294 -7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.817 0.473 -8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.285 -0.773 -9.338 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.345 -1.189 -7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.806 0.341 -6.936 1.00 0.00 H new ATOM 0 HE ARG A 48 6.560 1.064 -9.548 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.511 -0.861 -7.412 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.018 -0.394 -8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.636 1.661 -10.596 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.088 1.027 -10.027 1.00 0.00 H new ATOM 695 N LEU A 49 10.757 -1.759 -4.203 1.00 0.00 N ATOM 696 CA LEU A 49 11.323 -2.756 -3.301 1.00 0.00 C ATOM 697 C LEU A 49 10.838 -2.537 -1.872 1.00 0.00 C ATOM 698 O LEU A 49 10.842 -1.420 -1.354 1.00 0.00 O ATOM 699 CB LEU A 49 12.852 -2.704 -3.347 1.00 0.00 C ATOM 700 CG LEU A 49 13.519 -3.541 -4.439 1.00 0.00 C ATOM 701 CD1 LEU A 49 14.931 -3.043 -4.704 1.00 0.00 C ATOM 702 CD2 LEU A 49 13.534 -5.012 -4.049 1.00 0.00 C ATOM 0 H LEU A 49 10.943 -0.793 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 49 10.988 -3.740 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.157 -1.665 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.236 -3.031 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 49 12.940 -3.435 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.391 -3.650 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.895 -2.003 -5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.521 -3.119 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.012 -5.593 -4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.089 -5.136 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.511 -5.362 -3.910 1.00 0.00 H new ATOM 714 N PRO A 50 10.413 -3.627 -1.217 1.00 0.00 N ATOM 715 CA PRO A 50 9.920 -3.580 0.163 1.00 0.00 C ATOM 716 C PRO A 50 11.031 -3.291 1.166 1.00 0.00 C ATOM 717 O PRO A 50 11.951 -4.091 1.336 1.00 0.00 O ATOM 718 CB PRO A 50 9.351 -4.983 0.384 1.00 0.00 C ATOM 719 CG PRO A 50 10.095 -5.849 -0.572 1.00 0.00 C ATOM 720 CD PRO A 50 10.381 -4.990 -1.773 1.00 0.00 C ATOM 0 HA PRO A 50 9.192 -2.782 0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.498 -5.312 1.413 1.00 0.00 H new ATOM 0 HB3 PRO A 50 8.279 -5.010 0.191 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.019 -6.217 -0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.504 -6.722 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.329 -5.256 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.609 -5.095 -2.535 1.00 0.00 H new ATOM 728 N PHE A 51 10.940 -2.142 1.829 1.00 0.00 N ATOM 729 CA PHE A 51 11.938 -1.748 2.816 1.00 0.00 C ATOM 730 C PHE A 51 12.243 -2.898 3.771 1.00 0.00 C ATOM 731 O PHE A 51 11.361 -3.661 4.166 1.00 0.00 O ATOM 732 CB PHE A 51 11.453 -0.530 3.604 1.00 0.00 C ATOM 733 CG PHE A 51 10.714 0.473 2.765 1.00 0.00 C ATOM 734 CD1 PHE A 51 11.404 1.364 1.959 1.00 0.00 C ATOM 735 CD2 PHE A 51 9.329 0.523 2.780 1.00 0.00 C ATOM 736 CE1 PHE A 51 10.726 2.288 1.186 1.00 0.00 C ATOM 737 CE2 PHE A 51 8.646 1.444 2.009 1.00 0.00 C ATOM 738 CZ PHE A 51 9.345 2.327 1.210 1.00 0.00 C ATOM 0 H PHE A 51 10.185 -1.468 1.700 1.00 0.00 H new ATOM 0 HA PHE A 51 12.854 -1.488 2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.802 -0.866 4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 51 12.311 -0.042 4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.483 1.336 1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.777 -0.166 3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.275 2.979 0.564 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.567 1.473 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 51 8.813 3.047 0.605 1.00 0.00 H new ATOM 748 N PRO A 52 13.523 -3.027 4.152 1.00 0.00 N ATOM 749 CA PRO A 52 13.975 -4.081 5.065 1.00 0.00 C ATOM 750 C PRO A 52 13.470 -3.870 6.488 1.00 0.00 C ATOM 751 O PRO A 52 13.016 -2.787 6.858 1.00 0.00 O ATOM 752 CB PRO A 52 15.500 -3.963 5.015 1.00 0.00 C ATOM 753 CG PRO A 52 15.758 -2.548 4.629 1.00 0.00 C ATOM 754 CD PRO A 52 14.627 -2.153 3.720 1.00 0.00 C ATOM 0 HA PRO A 52 13.600 -5.062 4.773 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.947 -4.198 5.981 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.927 -4.655 4.290 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.795 -1.904 5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.718 -2.451 4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.372 -1.099 3.830 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.879 -2.312 2.672 1.00 0.00 H new ATOM 762 N PRO A 53 13.551 -4.928 7.308 1.00 0.00 N ATOM 763 CA PRO A 53 13.107 -4.883 8.705 1.00 0.00 C ATOM 764 C PRO A 53 14.015 -4.018 9.573 1.00 0.00 C ATOM 765 O PRO A 53 13.938 -4.058 10.800 1.00 0.00 O ATOM 766 CB PRO A 53 13.181 -6.347 9.148 1.00 0.00 C ATOM 767 CG PRO A 53 14.202 -6.962 8.254 1.00 0.00 C ATOM 768 CD PRO A 53 14.081 -6.251 6.935 1.00 0.00 C ATOM 0 HA PRO A 53 12.115 -4.443 8.804 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.471 -6.429 10.196 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.215 -6.841 9.045 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.203 -6.847 8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.026 -8.031 8.138 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.045 -6.171 6.432 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.410 -6.776 6.256 1.00 0.00 H new ATOM 776 N GLY A 54 14.873 -3.235 8.927 1.00 0.00 N ATOM 777 CA GLY A 54 15.783 -2.371 9.657 1.00 0.00 C ATOM 778 C GLY A 54 16.163 -1.132 8.869 1.00 0.00 C ATOM 779 O GLY A 54 17.311 -0.984 8.450 1.00 0.00 O ATOM 0 H GLY A 54 14.955 -3.183 7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 54 15.320 -2.072 10.597 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.685 -2.929 9.909 1.00 0.00 H new ATOM 783 N ASP A 55 15.197 -0.243 8.667 1.00 0.00 N ATOM 784 CA ASP A 55 15.436 0.989 7.923 1.00 0.00 C ATOM 785 C ASP A 55 14.260 1.949 8.071 1.00 0.00 C ATOM 786 O ASP A 55 13.173 1.555 8.491 1.00 0.00 O ATOM 787 CB ASP A 55 15.676 0.679 6.445 1.00 0.00 C ATOM 788 CG ASP A 55 17.138 0.423 6.137 1.00 0.00 C ATOM 789 OD1 ASP A 55 17.891 1.406 5.977 1.00 0.00 O ATOM 790 OD2 ASP A 55 17.529 -0.760 6.054 1.00 0.00 O ATOM 0 H ASP A 55 14.242 -0.352 9.008 1.00 0.00 H new ATOM 0 HA ASP A 55 16.325 1.467 8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 55 15.089 -0.194 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 55 15.321 1.513 5.840 1.00 0.00 H new ATOM 795 N ARG A 56 14.487 3.212 7.723 1.00 0.00 N ATOM 796 CA ARG A 56 13.447 4.229 7.818 1.00 0.00 C ATOM 797 C ARG A 56 12.779 4.453 6.465 1.00 0.00 C ATOM 798 O ARG A 56 13.418 4.337 5.419 1.00 0.00 O ATOM 799 CB ARG A 56 14.036 5.544 8.332 1.00 0.00 C ATOM 800 CG ARG A 56 14.389 5.517 9.810 1.00 0.00 C ATOM 801 CD ARG A 56 15.720 4.824 10.052 1.00 0.00 C ATOM 802 NE ARG A 56 16.848 5.743 9.924 1.00 0.00 N ATOM 803 CZ ARG A 56 17.300 6.495 10.921 1.00 0.00 C ATOM 804 NH1 ARG A 56 16.723 6.437 12.114 1.00 0.00 N ATOM 805 NH2 ARG A 56 18.330 7.308 10.727 1.00 0.00 N ATOM 0 H ARG A 56 15.382 3.555 7.373 1.00 0.00 H new ATOM 0 HA ARG A 56 12.693 3.876 8.522 1.00 0.00 H new ATOM 0 HB2 ARG A 56 14.932 5.780 7.758 1.00 0.00 H new ATOM 0 HB3 ARG A 56 13.321 6.347 8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 56 14.433 6.536 10.193 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.604 5.002 10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.723 4.383 11.049 1.00 0.00 H new ATOM 0 HD3 ARG A 56 15.837 4.006 9.341 1.00 0.00 H new ATOM 0 HE ARG A 56 17.314 5.811 9.019 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.930 5.814 12.267 1.00 0.00 H new ATOM 0 HH12 ARG A 56 17.072 7.016 12.878 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.776 7.356 9.811 1.00 0.00 H new ATOM 0 HH22 ARG A 56 18.676 7.885 11.494 1.00 0.00 H new ATOM 819 N VAL A 57 11.489 4.773 6.493 1.00 0.00 N ATOM 820 CA VAL A 57 10.734 5.013 5.269 1.00 0.00 C ATOM 821 C VAL A 57 10.367 6.486 5.130 1.00 0.00 C ATOM 822 O VAL A 57 9.764 7.075 6.028 1.00 0.00 O ATOM 823 CB VAL A 57 9.447 4.168 5.228 1.00 0.00 C ATOM 824 CG1 VAL A 57 8.657 4.458 3.960 1.00 0.00 C ATOM 825 CG2 VAL A 57 9.779 2.687 5.332 1.00 0.00 C ATOM 0 H VAL A 57 10.945 4.872 7.350 1.00 0.00 H new ATOM 0 HA VAL A 57 11.377 4.722 4.438 1.00 0.00 H new ATOM 0 HB VAL A 57 8.828 4.439 6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.751 3.852 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.387 5.514 3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.266 4.217 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.858 2.105 5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.419 2.398 4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.298 2.496 6.271 1.00 0.00 H new ATOM 835 N THR A 58 10.733 7.078 3.997 1.00 0.00 N ATOM 836 CA THR A 58 10.442 8.482 3.740 1.00 0.00 C ATOM 837 C THR A 58 9.172 8.639 2.911 1.00 0.00 C ATOM 838 O THR A 58 9.118 8.221 1.754 1.00 0.00 O ATOM 839 CB THR A 58 11.608 9.172 3.006 1.00 0.00 C ATOM 840 OG1 THR A 58 12.813 9.043 3.770 1.00 0.00 O ATOM 841 CG2 THR A 58 11.306 10.644 2.772 1.00 0.00 C ATOM 0 H THR A 58 11.232 6.606 3.243 1.00 0.00 H new ATOM 0 HA THR A 58 10.300 8.957 4.711 1.00 0.00 H new ATOM 0 HB THR A 58 11.737 8.686 2.039 1.00 0.00 H new ATOM 0 HG1 THR A 58 13.550 9.483 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.144 11.109 2.253 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.405 10.739 2.166 1.00 0.00 H new ATOM 0 HG23 THR A 58 11.152 11.141 3.730 1.00 0.00 H new ATOM 849 N PHE A 59 8.152 9.244 3.510 1.00 0.00 N ATOM 850 CA PHE A 59 6.881 9.455 2.827 1.00 0.00 C ATOM 851 C PHE A 59 6.868 10.800 2.106 1.00 0.00 C ATOM 852 O PHE A 59 6.938 11.854 2.736 1.00 0.00 O ATOM 853 CB PHE A 59 5.724 9.387 3.825 1.00 0.00 C ATOM 854 CG PHE A 59 5.873 8.293 4.843 1.00 0.00 C ATOM 855 CD1 PHE A 59 5.791 6.962 4.465 1.00 0.00 C ATOM 856 CD2 PHE A 59 6.096 8.595 6.176 1.00 0.00 C ATOM 857 CE1 PHE A 59 5.928 5.953 5.400 1.00 0.00 C ATOM 858 CE2 PHE A 59 6.233 7.590 7.116 1.00 0.00 C ATOM 859 CZ PHE A 59 6.150 6.268 6.727 1.00 0.00 C ATOM 0 H PHE A 59 8.181 9.597 4.467 1.00 0.00 H new ATOM 0 HA PHE A 59 6.759 8.665 2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.643 10.344 4.341 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.792 9.240 3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.618 6.711 3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.164 9.628 6.485 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.862 4.920 5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.405 7.839 8.153 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.258 5.481 7.459 1.00 0.00 H new ATOM 869 N ASN A 60 6.779 10.754 0.781 1.00 0.00 N ATOM 870 CA ASN A 60 6.758 11.968 -0.027 1.00 0.00 C ATOM 871 C ASN A 60 5.412 12.132 -0.727 1.00 0.00 C ATOM 872 O ASN A 60 5.150 11.495 -1.747 1.00 0.00 O ATOM 873 CB ASN A 60 7.884 11.937 -1.062 1.00 0.00 C ATOM 874 CG ASN A 60 9.180 12.512 -0.524 1.00 0.00 C ATOM 875 OD1 ASN A 60 9.820 11.782 0.382 1.00 0.00 O flip ATOM 876 ND2 ASN A 60 9.599 13.601 -0.918 1.00 0.00 N flip ATOM 0 H ASN A 60 6.720 9.889 0.244 1.00 0.00 H new ATOM 0 HA ASN A 60 6.908 12.819 0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.051 10.909 -1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.579 12.500 -1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.074 14.127 -1.616 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.472 13.976 -0.546 1.00 0.00 H new ATOM 883 N GLY A 61 4.563 12.993 -0.173 1.00 0.00 N ATOM 884 CA GLY A 61 3.256 13.226 -0.758 1.00 0.00 C ATOM 885 C GLY A 61 2.304 12.069 -0.529 1.00 0.00 C ATOM 886 O GLY A 61 1.688 11.962 0.532 1.00 0.00 O ATOM 0 H GLY A 61 4.758 13.533 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.828 14.134 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.366 13.396 -1.829 1.00 0.00 H new ATOM 890 N LYS A 62 2.180 11.200 -1.527 1.00 0.00 N ATOM 891 CA LYS A 62 1.295 10.045 -1.431 1.00 0.00 C ATOM 892 C LYS A 62 2.092 8.745 -1.472 1.00 0.00 C ATOM 893 O LYS A 62 1.839 7.828 -0.691 1.00 0.00 O ATOM 894 CB LYS A 62 0.272 10.064 -2.569 1.00 0.00 C ATOM 895 CG LYS A 62 0.900 10.016 -3.952 1.00 0.00 C ATOM 896 CD LYS A 62 -0.136 10.236 -5.042 1.00 0.00 C ATOM 897 CE LYS A 62 0.460 10.033 -6.426 1.00 0.00 C ATOM 898 NZ LYS A 62 0.821 8.609 -6.671 1.00 0.00 N ATOM 0 H LYS A 62 2.682 11.274 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 62 0.770 10.099 -0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.402 9.215 -2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.335 10.965 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.676 10.778 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.385 9.051 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.969 9.547 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.540 11.245 -4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.254 10.362 -7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.348 10.656 -6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.014 8.469 -7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.669 8.366 -6.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.032 7.996 -6.381 1.00 0.00 H new ATOM 912 N GLU A 63 3.056 8.675 -2.385 1.00 0.00 N ATOM 913 CA GLU A 63 3.889 7.487 -2.525 1.00 0.00 C ATOM 914 C GLU A 63 5.175 7.625 -1.715 1.00 0.00 C ATOM 915 O GLU A 63 5.782 8.697 -1.673 1.00 0.00 O ATOM 916 CB GLU A 63 4.225 7.243 -3.998 1.00 0.00 C ATOM 917 CG GLU A 63 5.018 8.370 -4.636 1.00 0.00 C ATOM 918 CD GLU A 63 4.935 8.358 -6.150 1.00 0.00 C ATOM 919 OE1 GLU A 63 5.296 7.326 -6.755 1.00 0.00 O ATOM 920 OE2 GLU A 63 4.509 9.378 -6.730 1.00 0.00 O ATOM 0 H GLU A 63 3.279 9.426 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 63 3.328 6.635 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.793 6.317 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.299 7.102 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.649 9.325 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.062 8.292 -4.333 1.00 0.00 H new ATOM 927 N CYS A 64 5.584 6.536 -1.075 1.00 0.00 N ATOM 928 CA CYS A 64 6.798 6.536 -0.265 1.00 0.00 C ATOM 929 C CYS A 64 8.000 6.085 -1.088 1.00 0.00 C ATOM 930 O CYS A 64 7.850 5.584 -2.201 1.00 0.00 O ATOM 931 CB CYS A 64 6.624 5.623 0.950 1.00 0.00 C ATOM 932 SG CYS A 64 6.348 3.885 0.534 1.00 0.00 S ATOM 0 H CYS A 64 5.094 5.642 -1.101 1.00 0.00 H new ATOM 0 HA CYS A 64 6.978 7.555 0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 64 7.512 5.699 1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.783 5.982 1.543 1.00 0.00 H new ATOM 0 HG CYS A 64 7.200 3.144 1.178 1.00 0.00 H new ATOM 938 N MET A 65 9.193 6.269 -0.532 1.00 0.00 N ATOM 939 CA MET A 65 10.422 5.882 -1.215 1.00 0.00 C ATOM 940 C MET A 65 11.503 5.495 -0.210 1.00 0.00 C ATOM 941 O MET A 65 11.513 5.977 0.923 1.00 0.00 O ATOM 942 CB MET A 65 10.919 7.025 -2.102 1.00 0.00 C ATOM 943 CG MET A 65 10.102 7.209 -3.370 1.00 0.00 C ATOM 944 SD MET A 65 10.682 8.588 -4.377 1.00 0.00 S ATOM 945 CE MET A 65 10.333 9.970 -3.292 1.00 0.00 C ATOM 0 H MET A 65 9.335 6.683 0.389 1.00 0.00 H new ATOM 0 HA MET A 65 10.204 5.016 -1.840 1.00 0.00 H new ATOM 0 HB2 MET A 65 10.900 7.953 -1.530 1.00 0.00 H new ATOM 0 HB3 MET A 65 11.958 6.838 -2.373 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.141 6.293 -3.959 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.058 7.373 -3.104 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.834 10.758 -3.856 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.686 9.640 -2.479 1.00 0.00 H new ATOM 0 HE3 MET A 65 11.266 10.354 -2.880 1.00 0.00 H new ATOM 955 N CYS A 66 12.412 4.623 -0.633 1.00 0.00 N ATOM 956 CA CYS A 66 13.497 4.170 0.229 1.00 0.00 C ATOM 957 C CYS A 66 14.640 5.182 0.241 1.00 0.00 C ATOM 958 O CYS A 66 14.973 5.769 -0.789 1.00 0.00 O ATOM 959 CB CYS A 66 14.013 2.807 -0.237 1.00 0.00 C ATOM 960 SG CYS A 66 14.915 2.855 -1.819 1.00 0.00 S ATOM 0 H CYS A 66 12.419 4.216 -1.568 1.00 0.00 H new ATOM 0 HA CYS A 66 13.107 4.075 1.242 1.00 0.00 H new ATOM 0 HB2 CYS A 66 14.669 2.397 0.531 1.00 0.00 H new ATOM 0 HB3 CYS A 66 13.169 2.124 -0.333 1.00 0.00 H new ATOM 965 N GLN A 67 15.237 5.378 1.412 1.00 0.00 N ATOM 966 CA GLN A 67 16.342 6.318 1.557 1.00 0.00 C ATOM 967 C GLN A 67 17.233 6.307 0.319 1.00 0.00 C ATOM 968 O GLN A 67 17.621 7.359 -0.189 1.00 0.00 O ATOM 969 CB GLN A 67 17.169 5.978 2.798 1.00 0.00 C ATOM 970 CG GLN A 67 16.490 6.355 4.105 1.00 0.00 C ATOM 971 CD GLN A 67 17.463 6.450 5.263 1.00 0.00 C ATOM 972 OE1 GLN A 67 17.093 5.866 6.397 1.00 0.00 O flip ATOM 973 NE2 GLN A 67 18.536 7.042 5.140 1.00 0.00 N flip ATOM 0 H GLN A 67 14.974 4.899 2.273 1.00 0.00 H new ATOM 0 HA GLN A 67 15.923 7.318 1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 67 17.379 4.908 2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 67 18.129 6.491 2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.982 7.312 3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.724 5.615 4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.780 7.476 4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.181 7.098 5.928 1.00 0.00 H new ATOM 982 N LYS A 68 17.555 5.111 -0.161 1.00 0.00 N ATOM 983 CA LYS A 68 18.399 4.961 -1.340 1.00 0.00 C ATOM 984 C LYS A 68 17.901 5.842 -2.482 1.00 0.00 C ATOM 985 O LYS A 68 18.622 6.714 -2.967 1.00 0.00 O ATOM 986 CB LYS A 68 18.431 3.498 -1.788 1.00 0.00 C ATOM 987 CG LYS A 68 19.545 2.690 -1.145 1.00 0.00 C ATOM 988 CD LYS A 68 19.183 2.266 0.269 1.00 0.00 C ATOM 989 CE LYS A 68 18.236 1.076 0.269 1.00 0.00 C ATOM 990 NZ LYS A 68 18.941 -0.194 -0.054 1.00 0.00 N ATOM 0 H LYS A 68 17.244 4.230 0.249 1.00 0.00 H new ATOM 0 HA LYS A 68 19.408 5.276 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.474 3.033 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.545 3.461 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.750 1.806 -1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.460 3.282 -1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 68 20.090 2.010 0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.719 3.102 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.762 0.989 1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.441 1.245 -0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.294 -0.996 0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.256 -0.174 -1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.767 -0.301 0.569 1.00 0.00 H new ATOM 1004 N CYS A 69 16.663 5.608 -2.906 1.00 0.00 N ATOM 1005 CA CYS A 69 16.067 6.381 -3.990 1.00 0.00 C ATOM 1006 C CYS A 69 15.808 7.820 -3.553 1.00 0.00 C ATOM 1007 O CYS A 69 16.176 8.766 -4.249 1.00 0.00 O ATOM 1008 CB CYS A 69 14.760 5.732 -4.447 1.00 0.00 C ATOM 1009 SG CYS A 69 14.969 4.080 -5.188 1.00 0.00 S ATOM 0 H CYS A 69 16.053 4.890 -2.516 1.00 0.00 H new ATOM 0 HA CYS A 69 16.769 6.394 -4.823 1.00 0.00 H new ATOM 0 HB2 CYS A 69 14.088 5.653 -3.592 1.00 0.00 H new ATOM 0 HB3 CYS A 69 14.277 6.386 -5.173 1.00 0.00 H new ATOM 1014 N SER A 70 15.172 7.976 -2.397 1.00 0.00 N ATOM 1015 CA SER A 70 14.861 9.299 -1.869 1.00 0.00 C ATOM 1016 C SER A 70 16.052 10.240 -2.021 1.00 0.00 C ATOM 1017 O SER A 70 15.902 11.389 -2.440 1.00 0.00 O ATOM 1018 CB SER A 70 14.459 9.202 -0.395 1.00 0.00 C ATOM 1019 OG SER A 70 13.064 8.989 -0.260 1.00 0.00 O ATOM 0 H SER A 70 14.862 7.203 -1.808 1.00 0.00 H new ATOM 0 HA SER A 70 14.026 9.703 -2.441 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.002 8.386 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.742 10.118 0.124 1.00 0.00 H new ATOM 0 HG SER A 70 12.669 9.725 0.252 1.00 0.00 H new ATOM 1025 N LEU A 71 17.236 9.745 -1.679 1.00 0.00 N ATOM 1026 CA LEU A 71 18.455 10.540 -1.778 1.00 0.00 C ATOM 1027 C LEU A 71 18.885 10.700 -3.233 1.00 0.00 C ATOM 1028 O LEU A 71 18.448 9.966 -4.119 1.00 0.00 O ATOM 1029 CB LEU A 71 19.580 9.887 -0.972 1.00 0.00 C ATOM 1030 CG LEU A 71 19.748 10.380 0.466 1.00 0.00 C ATOM 1031 CD1 LEU A 71 18.862 9.582 1.411 1.00 0.00 C ATOM 1032 CD2 LEU A 71 21.205 10.289 0.894 1.00 0.00 C ATOM 0 H LEU A 71 17.378 8.797 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 71 18.248 11.529 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.406 8.811 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 71 20.519 10.046 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 71 19.442 11.425 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 71 18.995 9.947 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 71 17.819 9.698 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.137 8.528 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 71 21.306 10.644 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.538 9.253 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 71 21.817 10.905 0.235 1.00 0.00 H new ATOM 1044 N PRO A 72 19.763 11.682 -3.486 1.00 0.00 N ATOM 1045 CA PRO A 72 20.272 11.960 -4.832 1.00 0.00 C ATOM 1046 C PRO A 72 21.204 10.864 -5.337 1.00 0.00 C ATOM 1047 O PRO A 72 22.332 10.727 -4.864 1.00 0.00 O ATOM 1048 CB PRO A 72 21.039 13.274 -4.657 1.00 0.00 C ATOM 1049 CG PRO A 72 21.432 13.294 -3.220 1.00 0.00 C ATOM 1050 CD PRO A 72 20.326 12.596 -2.478 1.00 0.00 C ATOM 0 HA PRO A 72 19.470 12.013 -5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 72 21.913 13.312 -5.307 1.00 0.00 H new ATOM 0 HB3 PRO A 72 20.417 14.132 -4.909 1.00 0.00 H new ATOM 0 HG2 PRO A 72 22.384 12.786 -3.069 1.00 0.00 H new ATOM 0 HG3 PRO A 72 21.556 14.317 -2.864 1.00 0.00 H new ATOM 0 HD2 PRO A 72 20.703 12.054 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 72 19.579 13.301 -2.113 1.00 0.00 H new ATOM 1058 N VAL A 73 20.724 10.084 -6.301 1.00 0.00 N ATOM 1059 CA VAL A 73 21.515 9.000 -6.872 1.00 0.00 C ATOM 1060 C VAL A 73 21.613 9.131 -8.388 1.00 0.00 C ATOM 1061 O VAL A 73 20.647 9.505 -9.053 1.00 0.00 O ATOM 1062 CB VAL A 73 20.915 7.625 -6.524 1.00 0.00 C ATOM 1063 CG1 VAL A 73 21.802 6.507 -7.052 1.00 0.00 C ATOM 1064 CG2 VAL A 73 20.718 7.495 -5.021 1.00 0.00 C ATOM 0 H VAL A 73 19.792 10.183 -6.703 1.00 0.00 H new ATOM 0 HA VAL A 73 22.513 9.073 -6.439 1.00 0.00 H new ATOM 0 HB VAL A 73 19.940 7.541 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 73 21.363 5.543 -6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 73 21.888 6.591 -8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 73 22.792 6.585 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 73 20.293 6.517 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 73 21.679 7.599 -4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.040 8.275 -4.674 1.00 0.00 H new ATOM 1074 N SER A 74 22.786 8.819 -8.929 1.00 0.00 N ATOM 1075 CA SER A 74 23.012 8.904 -10.367 1.00 0.00 C ATOM 1076 C SER A 74 22.472 7.666 -11.076 1.00 0.00 C ATOM 1077 O SER A 74 23.134 7.094 -11.943 1.00 0.00 O ATOM 1078 CB SER A 74 24.505 9.064 -10.661 1.00 0.00 C ATOM 1079 OG SER A 74 24.730 9.306 -12.039 1.00 0.00 O ATOM 0 H SER A 74 23.595 8.505 -8.393 1.00 0.00 H new ATOM 0 HA SER A 74 22.479 9.778 -10.743 1.00 0.00 H new ATOM 0 HB2 SER A 74 24.908 9.888 -10.073 1.00 0.00 H new ATOM 0 HB3 SER A 74 25.038 8.164 -10.355 1.00 0.00 H new ATOM 0 HG SER A 74 24.276 8.619 -12.570 1.00 0.00 H new ATOM 1085 N VAL A 75 21.265 7.256 -10.701 1.00 0.00 N ATOM 1086 CA VAL A 75 20.634 6.086 -11.300 1.00 0.00 C ATOM 1087 C VAL A 75 19.363 6.471 -12.050 1.00 0.00 C ATOM 1088 O VAL A 75 18.355 5.768 -11.985 1.00 0.00 O ATOM 1089 CB VAL A 75 20.288 5.028 -10.237 1.00 0.00 C ATOM 1090 CG1 VAL A 75 21.556 4.438 -9.639 1.00 0.00 C ATOM 1091 CG2 VAL A 75 19.408 5.630 -9.152 1.00 0.00 C ATOM 0 H VAL A 75 20.704 7.717 -9.985 1.00 0.00 H new ATOM 0 HA VAL A 75 21.353 5.663 -12.001 1.00 0.00 H new ATOM 0 HB VAL A 75 19.732 4.223 -10.718 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.292 3.692 -8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 75 22.145 3.968 -10.427 1.00 0.00 H new ATOM 0 HG13 VAL A 75 22.141 5.230 -9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.173 4.868 -8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 75 19.935 6.454 -8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.484 6.000 -9.597 1.00 0.00 H new ATOM 1101 N SER A 76 19.419 7.592 -12.763 1.00 0.00 N ATOM 1102 CA SER A 76 18.272 8.073 -13.523 1.00 0.00 C ATOM 1103 C SER A 76 18.683 8.465 -14.938 1.00 0.00 C ATOM 1104 O SER A 76 19.870 8.532 -15.256 1.00 0.00 O ATOM 1105 CB SER A 76 17.630 9.269 -12.816 1.00 0.00 C ATOM 1106 OG SER A 76 17.152 8.906 -11.533 1.00 0.00 O ATOM 0 H SER A 76 20.247 8.184 -12.830 1.00 0.00 H new ATOM 0 HA SER A 76 17.544 7.264 -13.586 1.00 0.00 H new ATOM 0 HB2 SER A 76 18.359 10.074 -12.722 1.00 0.00 H new ATOM 0 HB3 SER A 76 16.807 9.653 -13.419 1.00 0.00 H new ATOM 0 HG SER A 76 16.748 9.688 -11.101 1.00 0.00 H new ATOM 1112 N GLY A 77 17.692 8.724 -15.786 1.00 0.00 N ATOM 1113 CA GLY A 77 17.971 9.106 -17.158 1.00 0.00 C ATOM 1114 C GLY A 77 16.725 9.546 -17.902 1.00 0.00 C ATOM 1115 O GLY A 77 15.646 8.974 -17.742 1.00 0.00 O ATOM 0 H GLY A 77 16.701 8.676 -15.547 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.700 9.916 -17.165 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.425 8.264 -17.681 1.00 0.00 H new ATOM 1119 N PRO A 78 16.865 10.588 -18.734 1.00 0.00 N ATOM 1120 CA PRO A 78 15.753 11.129 -19.521 1.00 0.00 C ATOM 1121 C PRO A 78 15.309 10.178 -20.627 1.00 0.00 C ATOM 1122 O PRO A 78 16.104 9.795 -21.485 1.00 0.00 O ATOM 1123 CB PRO A 78 16.332 12.413 -20.119 1.00 0.00 C ATOM 1124 CG PRO A 78 17.803 12.180 -20.164 1.00 0.00 C ATOM 1125 CD PRO A 78 18.122 11.318 -18.973 1.00 0.00 C ATOM 0 HA PRO A 78 14.864 11.291 -18.912 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.930 12.602 -21.115 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.087 13.281 -19.506 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.092 11.686 -21.092 1.00 0.00 H new ATOM 0 HG3 PRO A 78 18.349 13.122 -20.121 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.949 10.638 -19.179 1.00 0.00 H new ATOM 0 HD3 PRO A 78 18.409 11.917 -18.109 1.00 0.00 H new ATOM 1133 N SER A 79 14.034 9.802 -20.602 1.00 0.00 N ATOM 1134 CA SER A 79 13.486 8.894 -21.602 1.00 0.00 C ATOM 1135 C SER A 79 12.337 9.551 -22.362 1.00 0.00 C ATOM 1136 O SER A 79 11.373 10.025 -21.762 1.00 0.00 O ATOM 1137 CB SER A 79 13.001 7.603 -20.938 1.00 0.00 C ATOM 1138 OG SER A 79 12.865 6.561 -21.888 1.00 0.00 O ATOM 0 H SER A 79 13.362 10.112 -19.900 1.00 0.00 H new ATOM 0 HA SER A 79 14.278 8.654 -22.312 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.705 7.302 -20.162 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.044 7.780 -20.448 1.00 0.00 H new ATOM 0 HG SER A 79 12.556 5.747 -21.439 1.00 0.00 H new ATOM 1144 N SER A 80 12.449 9.575 -23.686 1.00 0.00 N ATOM 1145 CA SER A 80 11.423 10.177 -24.529 1.00 0.00 C ATOM 1146 C SER A 80 10.414 9.129 -24.990 1.00 0.00 C ATOM 1147 O SER A 80 9.998 9.118 -26.147 1.00 0.00 O ATOM 1148 CB SER A 80 12.063 10.854 -25.743 1.00 0.00 C ATOM 1149 OG SER A 80 12.653 9.899 -26.607 1.00 0.00 O ATOM 0 H SER A 80 13.240 9.185 -24.198 1.00 0.00 H new ATOM 0 HA SER A 80 10.897 10.927 -23.939 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.308 11.423 -26.286 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.820 11.565 -25.410 1.00 0.00 H new ATOM 0 HG SER A 80 13.053 10.357 -27.376 1.00 0.00 H new ATOM 1155 N GLY A 81 10.026 8.247 -24.073 1.00 0.00 N ATOM 1156 CA GLY A 81 9.070 7.206 -24.403 1.00 0.00 C ATOM 1157 C GLY A 81 8.085 6.947 -23.281 1.00 0.00 C ATOM 1158 O GLY A 81 8.472 7.022 -22.115 1.00 0.00 O ATOM 0 H GLY A 81 10.357 8.235 -23.108 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.524 7.490 -25.303 1.00 0.00 H new ATOM 0 HA3 GLY A 81 9.605 6.285 -24.632 1.00 0.00 H new TER 1162 GLY A 81 HETATM 1163 ZN ZN A 201 -2.799 -2.625 -4.105 1.00 0.00 ZN HETATM 1164 ZN ZN A 401 13.642 2.742 -3.746 1.00 0.00 ZN