USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 488 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 46 THR OG1 : rot -78:sc= 2.01 USER MOD Set 1.2: A 51 THR OG1 : rot -99:sc= 1.41 USER MOD Single : A 1 GLY N :NH3+ 153:sc=0.000889 (180deg=0) USER MOD Single : A 2 SER OG : rot 41:sc= 0.945 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 LYS NZ :NH3+ -116:sc= 0.554 (180deg=-1.45) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.728 USER MOD Single : A 20 THR OG1 : rot -176:sc= -0.365 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.000874 USER MOD Single : A 37 MET CE :methyl -178:sc= 0 (180deg=-0.00665) USER MOD Single : A 38 SER OG : rot 84:sc= 0.742 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 58:sc= 1.27 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -132:sc= 1.26 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= -3.83! C(o=-9.1!,f=-3.8!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.676 -6.578 -15.947 1.00 0.00 N ATOM 2 CA GLY A 1 -20.391 -6.118 -14.600 1.00 0.00 C ATOM 3 C GLY A 1 -20.823 -7.115 -13.543 1.00 0.00 C ATOM 4 O GLY A 1 -21.895 -7.712 -13.644 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.804 -5.758 -16.574 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.883 -7.157 -16.291 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.545 -7.149 -15.942 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.322 -5.930 -14.502 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.899 -5.169 -14.429 1.00 0.00 H new ATOM 8 N SER A 2 -19.985 -7.299 -12.528 1.00 0.00 N ATOM 9 CA SER A 2 -20.283 -8.235 -11.451 1.00 0.00 C ATOM 10 C SER A 2 -20.179 -7.551 -10.091 1.00 0.00 C ATOM 11 O SER A 2 -19.097 -7.457 -9.512 1.00 0.00 O ATOM 12 CB SER A 2 -19.329 -9.430 -11.507 1.00 0.00 C ATOM 13 OG SER A 2 -17.983 -9.016 -11.352 1.00 0.00 O ATOM 0 H SER A 2 -19.094 -6.812 -12.429 1.00 0.00 H new ATOM 0 HA SER A 2 -21.306 -8.588 -11.583 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.586 -10.142 -10.723 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.446 -9.948 -12.459 1.00 0.00 H new ATOM 0 HG SER A 2 -17.930 -8.329 -10.655 1.00 0.00 H new ATOM 19 N SER A 3 -21.313 -7.073 -9.588 1.00 0.00 N ATOM 20 CA SER A 3 -21.350 -6.393 -8.298 1.00 0.00 C ATOM 21 C SER A 3 -20.341 -7.005 -7.332 1.00 0.00 C ATOM 22 O SER A 3 -20.585 -8.059 -6.746 1.00 0.00 O ATOM 23 CB SER A 3 -22.756 -6.468 -7.700 1.00 0.00 C ATOM 24 OG SER A 3 -23.669 -5.676 -8.440 1.00 0.00 O ATOM 0 H SER A 3 -22.218 -7.144 -10.054 1.00 0.00 H new ATOM 0 HA SER A 3 -21.085 -5.348 -8.458 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.095 -7.504 -7.689 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.732 -6.129 -6.664 1.00 0.00 H new ATOM 0 HG SER A 3 -24.560 -5.743 -8.038 1.00 0.00 H new ATOM 30 N GLY A 4 -19.204 -6.335 -7.170 1.00 0.00 N ATOM 31 CA GLY A 4 -18.174 -6.827 -6.275 1.00 0.00 C ATOM 32 C GLY A 4 -16.949 -5.934 -6.254 1.00 0.00 C ATOM 33 O GLY A 4 -16.479 -5.488 -7.301 1.00 0.00 O ATOM 0 H GLY A 4 -18.978 -5.460 -7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.580 -6.905 -5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.882 -7.832 -6.580 1.00 0.00 H new ATOM 37 N SER A 5 -16.431 -5.670 -5.059 1.00 0.00 N ATOM 38 CA SER A 5 -15.256 -4.820 -4.906 1.00 0.00 C ATOM 39 C SER A 5 -14.765 -4.828 -3.461 1.00 0.00 C ATOM 40 O SER A 5 -15.542 -4.625 -2.528 1.00 0.00 O ATOM 41 CB SER A 5 -15.577 -3.388 -5.339 1.00 0.00 C ATOM 42 OG SER A 5 -14.459 -2.537 -5.154 1.00 0.00 O ATOM 0 H SER A 5 -16.806 -6.032 -4.183 1.00 0.00 H new ATOM 0 HA SER A 5 -14.465 -5.216 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.875 -3.380 -6.388 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.423 -3.012 -4.764 1.00 0.00 H new ATOM 0 HG SER A 5 -14.689 -1.628 -5.440 1.00 0.00 H new ATOM 48 N SER A 6 -13.468 -5.063 -3.285 1.00 0.00 N ATOM 49 CA SER A 6 -12.872 -5.101 -1.955 1.00 0.00 C ATOM 50 C SER A 6 -11.526 -4.385 -1.942 1.00 0.00 C ATOM 51 O SER A 6 -10.796 -4.393 -2.933 1.00 0.00 O ATOM 52 CB SER A 6 -12.697 -6.549 -1.493 1.00 0.00 C ATOM 53 OG SER A 6 -12.015 -7.317 -2.470 1.00 0.00 O ATOM 0 H SER A 6 -12.811 -5.230 -4.047 1.00 0.00 H new ATOM 0 HA SER A 6 -13.544 -4.586 -1.268 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.141 -6.570 -0.556 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.673 -6.991 -1.295 1.00 0.00 H new ATOM 0 HG SER A 6 -11.914 -8.238 -2.150 1.00 0.00 H new ATOM 59 N GLY A 7 -11.203 -3.764 -0.811 1.00 0.00 N ATOM 60 CA GLY A 7 -9.945 -3.051 -0.689 1.00 0.00 C ATOM 61 C GLY A 7 -9.876 -2.207 0.568 1.00 0.00 C ATOM 62 O GLY A 7 -10.731 -1.351 0.798 1.00 0.00 O ATOM 0 H GLY A 7 -11.790 -3.742 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.124 -3.768 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.808 -2.411 -1.561 1.00 0.00 H new ATOM 66 N LYS A 8 -8.858 -2.450 1.386 1.00 0.00 N ATOM 67 CA LYS A 8 -8.680 -1.707 2.628 1.00 0.00 C ATOM 68 C LYS A 8 -7.938 -0.398 2.378 1.00 0.00 C ATOM 69 O LYS A 8 -7.196 -0.270 1.404 1.00 0.00 O ATOM 70 CB LYS A 8 -7.914 -2.553 3.648 1.00 0.00 C ATOM 71 CG LYS A 8 -8.809 -3.433 4.503 1.00 0.00 C ATOM 72 CD LYS A 8 -9.641 -2.608 5.471 1.00 0.00 C ATOM 73 CE LYS A 8 -8.914 -2.393 6.789 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.080 -1.160 6.768 1.00 0.00 N ATOM 0 H LYS A 8 -8.143 -3.156 1.211 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.667 -1.474 3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.197 -3.182 3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.340 -1.892 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.469 -4.016 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.198 -4.143 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.874 -1.643 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.590 -3.111 5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.641 -2.326 7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.282 -3.255 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.077 -1.417 6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.223 -0.660 5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.357 -0.540 7.556 1.00 0.00 H new ATOM 88 N VAL A 9 -8.141 0.571 3.265 1.00 0.00 N ATOM 89 CA VAL A 9 -7.488 1.869 3.141 1.00 0.00 C ATOM 90 C VAL A 9 -6.561 2.133 4.322 1.00 0.00 C ATOM 91 O VAL A 9 -7.010 2.269 5.460 1.00 0.00 O ATOM 92 CB VAL A 9 -8.520 3.009 3.049 1.00 0.00 C ATOM 93 CG1 VAL A 9 -7.821 4.351 2.888 1.00 0.00 C ATOM 94 CG2 VAL A 9 -9.486 2.761 1.900 1.00 0.00 C ATOM 0 H VAL A 9 -8.752 0.482 4.077 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.903 1.842 2.222 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.092 3.033 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.566 5.144 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.173 4.529 3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.222 4.342 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.208 3.576 1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.931 2.709 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.012 1.820 2.063 1.00 0.00 H new ATOM 104 N PHE A 10 -5.263 2.204 4.043 1.00 0.00 N ATOM 105 CA PHE A 10 -4.271 2.451 5.083 1.00 0.00 C ATOM 106 C PHE A 10 -3.579 3.794 4.867 1.00 0.00 C ATOM 107 O PHE A 10 -3.310 4.190 3.732 1.00 0.00 O ATOM 108 CB PHE A 10 -3.232 1.327 5.103 1.00 0.00 C ATOM 109 CG PHE A 10 -3.697 0.094 5.824 1.00 0.00 C ATOM 110 CD1 PHE A 10 -4.607 -0.768 5.233 1.00 0.00 C ATOM 111 CD2 PHE A 10 -3.223 -0.203 7.091 1.00 0.00 C ATOM 112 CE1 PHE A 10 -5.036 -1.903 5.895 1.00 0.00 C ATOM 113 CE2 PHE A 10 -3.649 -1.337 7.757 1.00 0.00 C ATOM 114 CZ PHE A 10 -4.556 -2.188 7.158 1.00 0.00 C ATOM 0 H PHE A 10 -4.874 2.094 3.106 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.786 2.478 6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.974 1.063 4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.321 1.693 5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.985 -0.551 4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.513 0.459 7.564 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.746 -2.567 5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.273 -1.557 8.745 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.890 -3.075 7.676 1.00 0.00 H new ATOM 124 N ARG A 11 -3.296 4.490 5.963 1.00 0.00 N ATOM 125 CA ARG A 11 -2.638 5.789 5.894 1.00 0.00 C ATOM 126 C ARG A 11 -1.170 5.677 6.295 1.00 0.00 C ATOM 127 O ARG A 11 -0.801 4.827 7.105 1.00 0.00 O ATOM 128 CB ARG A 11 -3.351 6.794 6.801 1.00 0.00 C ATOM 129 CG ARG A 11 -2.650 8.140 6.888 1.00 0.00 C ATOM 130 CD ARG A 11 -3.509 9.170 7.603 1.00 0.00 C ATOM 131 NE ARG A 11 -3.284 9.164 9.046 1.00 0.00 N ATOM 132 CZ ARG A 11 -4.135 9.681 9.925 1.00 0.00 C ATOM 133 NH1 ARG A 11 -5.262 10.242 9.511 1.00 0.00 N ATOM 134 NH2 ARG A 11 -3.860 9.636 11.223 1.00 0.00 N ATOM 0 H ARG A 11 -3.512 4.176 6.909 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.689 6.140 4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.366 6.946 6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.434 6.372 7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.703 8.025 7.416 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.415 8.494 5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.291 10.162 7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.561 8.969 7.399 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.426 8.739 9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.478 10.278 8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.913 10.638 10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.994 9.204 11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.514 10.033 11.897 1.00 0.00 H new ATOM 148 N ALA A 12 -0.338 6.541 5.723 1.00 0.00 N ATOM 149 CA ALA A 12 1.089 6.540 6.022 1.00 0.00 C ATOM 150 C ALA A 12 1.391 7.380 7.259 1.00 0.00 C ATOM 151 O ALA A 12 1.331 8.609 7.216 1.00 0.00 O ATOM 152 CB ALA A 12 1.879 7.053 4.827 1.00 0.00 C ATOM 0 H ALA A 12 -0.627 7.251 5.050 1.00 0.00 H new ATOM 0 HA ALA A 12 1.391 5.513 6.229 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.943 7.047 5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.695 6.410 3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.565 8.070 4.593 1.00 0.00 H new ATOM 158 N LEU A 13 1.714 6.709 8.359 1.00 0.00 N ATOM 159 CA LEU A 13 2.026 7.394 9.609 1.00 0.00 C ATOM 160 C LEU A 13 3.224 8.322 9.437 1.00 0.00 C ATOM 161 O LEU A 13 3.346 9.330 10.133 1.00 0.00 O ATOM 162 CB LEU A 13 2.308 6.375 10.714 1.00 0.00 C ATOM 163 CG LEU A 13 1.220 5.329 10.957 1.00 0.00 C ATOM 164 CD1 LEU A 13 1.795 4.119 11.678 1.00 0.00 C ATOM 165 CD2 LEU A 13 0.070 5.929 11.751 1.00 0.00 C ATOM 0 H LEU A 13 1.767 5.692 8.411 1.00 0.00 H new ATOM 0 HA LEU A 13 1.162 7.996 9.891 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.236 5.856 10.473 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.478 6.916 11.645 1.00 0.00 H new ATOM 0 HG LEU A 13 0.835 5.002 9.991 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.006 3.385 11.843 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.584 3.675 11.071 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.208 4.430 12.638 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.695 5.170 11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.439 6.285 12.713 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.359 6.763 11.196 1.00 0.00 H new ATOM 177 N TYR A 14 4.105 7.975 8.506 1.00 0.00 N ATOM 178 CA TYR A 14 5.295 8.777 8.243 1.00 0.00 C ATOM 179 C TYR A 14 5.906 8.417 6.892 1.00 0.00 C ATOM 180 O TYR A 14 5.693 7.322 6.371 1.00 0.00 O ATOM 181 CB TYR A 14 6.328 8.574 9.353 1.00 0.00 C ATOM 182 CG TYR A 14 5.715 8.288 10.705 1.00 0.00 C ATOM 183 CD1 TYR A 14 5.331 7.000 11.057 1.00 0.00 C ATOM 184 CD2 TYR A 14 5.519 9.306 11.630 1.00 0.00 C ATOM 185 CE1 TYR A 14 4.770 6.734 12.292 1.00 0.00 C ATOM 186 CE2 TYR A 14 4.960 9.049 12.867 1.00 0.00 C ATOM 187 CZ TYR A 14 4.587 7.761 13.193 1.00 0.00 C ATOM 188 OH TYR A 14 4.029 7.502 14.424 1.00 0.00 O ATOM 0 H TYR A 14 4.018 7.144 7.921 1.00 0.00 H new ATOM 0 HA TYR A 14 4.998 9.826 8.220 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.985 7.749 9.080 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.950 9.466 9.427 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.473 6.193 10.354 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.809 10.315 11.378 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.477 5.727 12.550 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.816 9.852 13.575 1.00 0.00 H new ATOM 0 HH TYR A 14 3.971 8.334 14.939 1.00 0.00 H new ATOM 198 N THR A 15 6.669 9.349 6.328 1.00 0.00 N ATOM 199 CA THR A 15 7.312 9.133 5.038 1.00 0.00 C ATOM 200 C THR A 15 8.262 7.942 5.090 1.00 0.00 C ATOM 201 O THR A 15 9.290 7.984 5.767 1.00 0.00 O ATOM 202 CB THR A 15 8.094 10.380 4.585 1.00 0.00 C ATOM 203 OG1 THR A 15 7.212 11.504 4.491 1.00 0.00 O ATOM 204 CG2 THR A 15 8.762 10.140 3.239 1.00 0.00 C ATOM 0 H THR A 15 6.856 10.261 6.745 1.00 0.00 H new ATOM 0 HA THR A 15 6.518 8.930 4.319 1.00 0.00 H new ATOM 0 HB THR A 15 8.867 10.586 5.325 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.717 12.293 4.204 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.308 11.034 2.939 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.454 9.302 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.002 9.911 2.491 1.00 0.00 H new ATOM 212 N PHE A 16 7.913 6.881 4.371 1.00 0.00 N ATOM 213 CA PHE A 16 8.735 5.677 4.335 1.00 0.00 C ATOM 214 C PHE A 16 9.513 5.589 3.025 1.00 0.00 C ATOM 215 O PHE A 16 9.042 6.036 1.981 1.00 0.00 O ATOM 216 CB PHE A 16 7.863 4.432 4.508 1.00 0.00 C ATOM 217 CG PHE A 16 8.587 3.148 4.222 1.00 0.00 C ATOM 218 CD1 PHE A 16 9.545 2.667 5.100 1.00 0.00 C ATOM 219 CD2 PHE A 16 8.311 2.422 3.074 1.00 0.00 C ATOM 220 CE1 PHE A 16 10.213 1.485 4.840 1.00 0.00 C ATOM 221 CE2 PHE A 16 8.975 1.240 2.809 1.00 0.00 C ATOM 222 CZ PHE A 16 9.928 0.771 3.692 1.00 0.00 C ATOM 0 H PHE A 16 7.066 6.830 3.805 1.00 0.00 H new ATOM 0 HA PHE A 16 9.448 5.729 5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.481 4.405 5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.000 4.508 3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.772 3.222 5.998 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.568 2.785 2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.957 1.120 5.533 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.749 0.683 1.912 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.449 -0.152 3.485 1.00 0.00 H new ATOM 232 N GLU A 17 10.708 5.009 3.092 1.00 0.00 N ATOM 233 CA GLU A 17 11.552 4.863 1.912 1.00 0.00 C ATOM 234 C GLU A 17 11.819 3.391 1.612 1.00 0.00 C ATOM 235 O GLU A 17 12.452 2.677 2.390 1.00 0.00 O ATOM 236 CB GLU A 17 12.877 5.603 2.111 1.00 0.00 C ATOM 237 CG GLU A 17 12.710 7.087 2.390 1.00 0.00 C ATOM 238 CD GLU A 17 14.034 7.822 2.447 1.00 0.00 C ATOM 239 OE1 GLU A 17 14.837 7.673 1.502 1.00 0.00 O ATOM 240 OE2 GLU A 17 14.269 8.547 3.437 1.00 0.00 O ATOM 0 H GLU A 17 11.112 4.633 3.950 1.00 0.00 H new ATOM 0 HA GLU A 17 11.024 5.298 1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.418 5.145 2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.491 5.476 1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.086 7.531 1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.185 7.218 3.336 1.00 0.00 H new ATOM 247 N PRO A 18 11.324 2.924 0.456 1.00 0.00 N ATOM 248 CA PRO A 18 11.495 1.533 0.026 1.00 0.00 C ATOM 249 C PRO A 18 12.938 1.217 -0.351 1.00 0.00 C ATOM 250 O PRO A 18 13.473 1.767 -1.314 1.00 0.00 O ATOM 251 CB PRO A 18 10.586 1.427 -1.201 1.00 0.00 C ATOM 252 CG PRO A 18 10.490 2.818 -1.723 1.00 0.00 C ATOM 253 CD PRO A 18 10.559 3.718 -0.520 1.00 0.00 C ATOM 0 HA PRO A 18 11.247 0.827 0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.006 0.752 -1.947 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.604 1.036 -0.934 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.303 3.031 -2.417 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.558 2.967 -2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.057 4.660 -0.751 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.566 3.966 -0.146 1.00 0.00 H new ATOM 261 N ARG A 19 13.563 0.327 0.413 1.00 0.00 N ATOM 262 CA ARG A 19 14.945 -0.062 0.159 1.00 0.00 C ATOM 263 C ARG A 19 15.041 -0.952 -1.077 1.00 0.00 C ATOM 264 O ARG A 19 16.078 -1.004 -1.740 1.00 0.00 O ATOM 265 CB ARG A 19 15.524 -0.792 1.372 1.00 0.00 C ATOM 266 CG ARG A 19 15.943 0.138 2.499 1.00 0.00 C ATOM 267 CD ARG A 19 14.749 0.582 3.329 1.00 0.00 C ATOM 268 NE ARG A 19 14.133 -0.533 4.043 1.00 0.00 N ATOM 269 CZ ARG A 19 13.419 -0.389 5.154 1.00 0.00 C ATOM 270 NH1 ARG A 19 13.231 0.816 5.674 1.00 0.00 N ATOM 271 NH2 ARG A 19 12.890 -1.452 5.746 1.00 0.00 N ATOM 0 H ARG A 19 13.134 -0.138 1.213 1.00 0.00 H new ATOM 0 HA ARG A 19 15.523 0.844 -0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.783 -1.496 1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.387 -1.377 1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.665 -0.368 3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.444 1.012 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.067 1.339 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 19 14.009 1.049 2.679 1.00 0.00 H new ATOM 0 HE ARG A 19 14.258 -1.473 3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.635 1.636 5.221 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.682 0.923 6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.031 -2.380 5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.342 -1.341 6.599 1.00 0.00 H new ATOM 285 N THR A 20 13.953 -1.652 -1.381 1.00 0.00 N ATOM 286 CA THR A 20 13.914 -2.542 -2.536 1.00 0.00 C ATOM 287 C THR A 20 13.092 -1.937 -3.668 1.00 0.00 C ATOM 288 O THR A 20 12.132 -1.199 -3.445 1.00 0.00 O ATOM 289 CB THR A 20 13.326 -3.917 -2.166 1.00 0.00 C ATOM 290 OG1 THR A 20 11.905 -3.818 -2.019 1.00 0.00 O ATOM 291 CG2 THR A 20 13.940 -4.438 -0.875 1.00 0.00 C ATOM 0 H THR A 20 13.087 -1.620 -0.844 1.00 0.00 H new ATOM 0 HA THR A 20 14.943 -2.674 -2.869 1.00 0.00 H new ATOM 0 HB THR A 20 13.560 -4.616 -2.969 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.546 -4.680 -1.723 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.510 -5.410 -0.634 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.018 -4.539 -1.000 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.733 -3.738 -0.065 1.00 0.00 H new ATOM 299 N PRO A 21 13.473 -2.257 -4.913 1.00 0.00 N ATOM 300 CA PRO A 21 12.782 -1.757 -6.106 1.00 0.00 C ATOM 301 C PRO A 21 11.394 -2.366 -6.270 1.00 0.00 C ATOM 302 O PRO A 21 10.644 -1.991 -7.171 1.00 0.00 O ATOM 303 CB PRO A 21 13.696 -2.193 -7.254 1.00 0.00 C ATOM 304 CG PRO A 21 14.429 -3.378 -6.726 1.00 0.00 C ATOM 305 CD PRO A 21 14.608 -3.132 -5.254 1.00 0.00 C ATOM 0 HA PRO A 21 12.616 -0.681 -6.060 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.120 -2.448 -8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.384 -1.396 -7.537 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.867 -4.295 -6.903 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.393 -3.494 -7.222 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.583 -4.062 -4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.563 -2.653 -5.040 1.00 0.00 H new ATOM 313 N ASP A 22 11.058 -3.306 -5.393 1.00 0.00 N ATOM 314 CA ASP A 22 9.759 -3.966 -5.440 1.00 0.00 C ATOM 315 C ASP A 22 8.786 -3.321 -4.458 1.00 0.00 C ATOM 316 O ASP A 22 7.572 -3.489 -4.571 1.00 0.00 O ATOM 317 CB ASP A 22 9.908 -5.455 -5.125 1.00 0.00 C ATOM 318 CG ASP A 22 10.216 -6.280 -6.360 1.00 0.00 C ATOM 319 OD1 ASP A 22 9.785 -5.881 -7.462 1.00 0.00 O ATOM 320 OD2 ASP A 22 10.886 -7.325 -6.224 1.00 0.00 O ATOM 0 H ASP A 22 11.668 -3.628 -4.641 1.00 0.00 H new ATOM 0 HA ASP A 22 9.358 -3.854 -6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.704 -5.591 -4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.989 -5.820 -4.667 1.00 0.00 H new ATOM 325 N GLU A 23 9.328 -2.583 -3.494 1.00 0.00 N ATOM 326 CA GLU A 23 8.507 -1.915 -2.491 1.00 0.00 C ATOM 327 C GLU A 23 7.904 -0.630 -3.050 1.00 0.00 C ATOM 328 O GLU A 23 8.249 -0.196 -4.150 1.00 0.00 O ATOM 329 CB GLU A 23 9.339 -1.602 -1.245 1.00 0.00 C ATOM 330 CG GLU A 23 9.572 -2.807 -0.350 1.00 0.00 C ATOM 331 CD GLU A 23 10.716 -2.598 0.623 1.00 0.00 C ATOM 332 OE1 GLU A 23 11.125 -1.434 0.818 1.00 0.00 O ATOM 333 OE2 GLU A 23 11.203 -3.599 1.190 1.00 0.00 O ATOM 0 H GLU A 23 10.331 -2.433 -3.387 1.00 0.00 H new ATOM 0 HA GLU A 23 7.694 -2.588 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.303 -1.198 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.837 -0.824 -0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.661 -3.023 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.781 -3.680 -0.969 1.00 0.00 H new ATOM 340 N LEU A 24 7.001 -0.026 -2.286 1.00 0.00 N ATOM 341 CA LEU A 24 6.349 1.210 -2.704 1.00 0.00 C ATOM 342 C LEU A 24 6.787 2.381 -1.829 1.00 0.00 C ATOM 343 O LEU A 24 6.995 2.226 -0.625 1.00 0.00 O ATOM 344 CB LEU A 24 4.828 1.054 -2.641 1.00 0.00 C ATOM 345 CG LEU A 24 4.010 2.283 -3.039 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.165 2.569 -4.524 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.544 2.086 -2.682 1.00 0.00 C ATOM 0 H LEU A 24 6.704 -0.372 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 24 6.646 1.418 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.541 0.226 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.553 0.773 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 24 4.386 3.142 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.576 3.447 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.215 2.754 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.816 1.711 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.977 2.970 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.155 1.216 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.449 1.931 -1.607 1.00 0.00 H new ATOM 359 N TYR A 25 6.925 3.551 -2.442 1.00 0.00 N ATOM 360 CA TYR A 25 7.339 4.748 -1.720 1.00 0.00 C ATOM 361 C TYR A 25 6.155 5.681 -1.487 1.00 0.00 C ATOM 362 O TYR A 25 5.368 5.944 -2.397 1.00 0.00 O ATOM 363 CB TYR A 25 8.437 5.481 -2.493 1.00 0.00 C ATOM 364 CG TYR A 25 8.674 6.895 -2.012 1.00 0.00 C ATOM 365 CD1 TYR A 25 9.424 7.145 -0.870 1.00 0.00 C ATOM 366 CD2 TYR A 25 8.147 7.982 -2.700 1.00 0.00 C ATOM 367 CE1 TYR A 25 9.643 8.435 -0.427 1.00 0.00 C ATOM 368 CE2 TYR A 25 8.362 9.275 -2.265 1.00 0.00 C ATOM 369 CZ TYR A 25 9.110 9.497 -1.128 1.00 0.00 C ATOM 370 OH TYR A 25 9.325 10.784 -0.691 1.00 0.00 O ATOM 0 H TYR A 25 6.756 3.696 -3.437 1.00 0.00 H new ATOM 0 HA TYR A 25 7.731 4.440 -0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.366 4.917 -2.410 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.172 5.505 -3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.843 6.316 -0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.559 7.812 -3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.228 8.611 0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.946 10.108 -2.813 1.00 0.00 H new ATOM 0 HH TYR A 25 8.882 11.414 -1.298 1.00 0.00 H new ATOM 380 N PHE A 26 6.034 6.179 -0.261 1.00 0.00 N ATOM 381 CA PHE A 26 4.946 7.083 0.094 1.00 0.00 C ATOM 382 C PHE A 26 5.430 8.165 1.055 1.00 0.00 C ATOM 383 O PHE A 26 6.531 8.080 1.598 1.00 0.00 O ATOM 384 CB PHE A 26 3.792 6.303 0.725 1.00 0.00 C ATOM 385 CG PHE A 26 4.242 5.229 1.674 1.00 0.00 C ATOM 386 CD1 PHE A 26 4.649 3.993 1.200 1.00 0.00 C ATOM 387 CD2 PHE A 26 4.257 5.457 3.041 1.00 0.00 C ATOM 388 CE1 PHE A 26 5.064 3.003 2.071 1.00 0.00 C ATOM 389 CE2 PHE A 26 4.672 4.471 3.916 1.00 0.00 C ATOM 390 CZ PHE A 26 5.075 3.242 3.431 1.00 0.00 C ATOM 0 H PHE A 26 6.676 5.972 0.504 1.00 0.00 H new ATOM 0 HA PHE A 26 4.594 7.564 -0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.142 6.998 1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.194 5.850 -0.066 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.642 3.800 0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.941 6.415 3.426 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.379 2.044 1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.681 4.661 4.979 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.398 2.470 4.114 1.00 0.00 H new ATOM 400 N GLU A 27 4.597 9.181 1.260 1.00 0.00 N ATOM 401 CA GLU A 27 4.940 10.280 2.154 1.00 0.00 C ATOM 402 C GLU A 27 3.960 10.358 3.321 1.00 0.00 C ATOM 403 O GLU A 27 2.841 9.854 3.239 1.00 0.00 O ATOM 404 CB GLU A 27 4.947 11.606 1.390 1.00 0.00 C ATOM 405 CG GLU A 27 6.159 11.784 0.491 1.00 0.00 C ATOM 406 CD GLU A 27 6.103 13.066 -0.317 1.00 0.00 C ATOM 407 OE1 GLU A 27 5.126 13.246 -1.075 1.00 0.00 O ATOM 408 OE2 GLU A 27 7.034 13.888 -0.193 1.00 0.00 O ATOM 0 H GLU A 27 3.681 9.265 0.819 1.00 0.00 H new ATOM 0 HA GLU A 27 5.938 10.093 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.043 11.671 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.912 12.428 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.062 11.783 1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.231 10.934 -0.188 1.00 0.00 H new ATOM 415 N GLU A 28 4.391 10.994 4.407 1.00 0.00 N ATOM 416 CA GLU A 28 3.552 11.136 5.591 1.00 0.00 C ATOM 417 C GLU A 28 2.221 11.795 5.238 1.00 0.00 C ATOM 418 O GLU A 28 2.182 12.940 4.792 1.00 0.00 O ATOM 419 CB GLU A 28 4.274 11.960 6.659 1.00 0.00 C ATOM 420 CG GLU A 28 3.462 12.156 7.929 1.00 0.00 C ATOM 421 CD GLU A 28 4.123 13.112 8.902 1.00 0.00 C ATOM 422 OE1 GLU A 28 4.818 14.042 8.441 1.00 0.00 O ATOM 423 OE2 GLU A 28 3.945 12.931 10.125 1.00 0.00 O ATOM 0 H GLU A 28 5.315 11.418 4.491 1.00 0.00 H new ATOM 0 HA GLU A 28 3.352 10.140 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.214 11.469 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.526 12.936 6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.473 12.534 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.317 11.191 8.415 1.00 0.00 H new ATOM 430 N GLY A 29 1.131 11.060 5.443 1.00 0.00 N ATOM 431 CA GLY A 29 -0.186 11.588 5.141 1.00 0.00 C ATOM 432 C GLY A 29 -0.619 11.290 3.719 1.00 0.00 C ATOM 433 O GLY A 29 -1.076 12.181 3.002 1.00 0.00 O ATOM 0 H GLY A 29 1.137 10.109 5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.912 11.164 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.187 12.666 5.299 1.00 0.00 H new ATOM 437 N ASP A 30 -0.473 10.035 3.309 1.00 0.00 N ATOM 438 CA ASP A 30 -0.851 9.622 1.962 1.00 0.00 C ATOM 439 C ASP A 30 -1.716 8.366 2.002 1.00 0.00 C ATOM 440 O ASP A 30 -1.354 7.371 2.630 1.00 0.00 O ATOM 441 CB ASP A 30 0.396 9.370 1.114 1.00 0.00 C ATOM 442 CG ASP A 30 0.939 10.642 0.491 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.429 11.044 -0.575 1.00 0.00 O ATOM 444 OD2 ASP A 30 1.875 11.233 1.069 1.00 0.00 O ATOM 0 H ASP A 30 -0.096 9.286 3.890 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.431 10.427 1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.168 8.914 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.158 8.656 0.326 1.00 0.00 H new ATOM 449 N ILE A 31 -2.861 8.421 1.329 1.00 0.00 N ATOM 450 CA ILE A 31 -3.777 7.288 1.288 1.00 0.00 C ATOM 451 C ILE A 31 -3.169 6.117 0.525 1.00 0.00 C ATOM 452 O ILE A 31 -2.408 6.309 -0.425 1.00 0.00 O ATOM 453 CB ILE A 31 -5.118 7.672 0.634 1.00 0.00 C ATOM 454 CG1 ILE A 31 -5.768 8.830 1.395 1.00 0.00 C ATOM 455 CG2 ILE A 31 -6.049 6.470 0.591 1.00 0.00 C ATOM 456 CD1 ILE A 31 -6.131 8.487 2.822 1.00 0.00 C ATOM 0 H ILE A 31 -3.176 9.238 0.805 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.958 6.991 2.321 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.928 7.996 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.087 9.681 1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.668 9.143 0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.992 6.757 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.586 5.672 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.237 6.119 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.587 9.354 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.837 7.656 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.231 8.203 3.368 1.00 0.00 H new ATOM 468 N ILE A 32 -3.510 4.903 0.944 1.00 0.00 N ATOM 469 CA ILE A 32 -3.000 3.700 0.298 1.00 0.00 C ATOM 470 C ILE A 32 -4.063 2.608 0.252 1.00 0.00 C ATOM 471 O ILE A 32 -4.862 2.466 1.178 1.00 0.00 O ATOM 472 CB ILE A 32 -1.753 3.158 1.022 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.746 4.285 1.263 1.00 0.00 C ATOM 474 CG2 ILE A 32 -1.118 2.036 0.214 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.304 3.945 2.297 1.00 0.00 C ATOM 0 H ILE A 32 -4.138 4.727 1.728 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.726 3.980 -0.719 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.058 2.756 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.253 4.528 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.282 5.179 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.238 1.663 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.836 1.226 0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.824 2.414 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.984 4.789 2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.180 3.731 3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.866 3.070 1.971 1.00 0.00 H new ATOM 487 N TYR A 33 -4.065 1.837 -0.830 1.00 0.00 N ATOM 488 CA TYR A 33 -5.030 0.757 -0.997 1.00 0.00 C ATOM 489 C TYR A 33 -4.389 -0.596 -0.703 1.00 0.00 C ATOM 490 O TYR A 33 -3.501 -1.044 -1.428 1.00 0.00 O ATOM 491 CB TYR A 33 -5.598 0.768 -2.417 1.00 0.00 C ATOM 492 CG TYR A 33 -6.842 1.615 -2.565 1.00 0.00 C ATOM 493 CD1 TYR A 33 -6.753 2.969 -2.864 1.00 0.00 C ATOM 494 CD2 TYR A 33 -8.106 1.061 -2.408 1.00 0.00 C ATOM 495 CE1 TYR A 33 -7.886 3.746 -2.999 1.00 0.00 C ATOM 496 CE2 TYR A 33 -9.245 1.830 -2.543 1.00 0.00 C ATOM 497 CZ TYR A 33 -9.130 3.173 -2.838 1.00 0.00 C ATOM 498 OH TYR A 33 -10.262 3.944 -2.974 1.00 0.00 O ATOM 0 H TYR A 33 -3.409 1.940 -1.604 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.842 0.916 -0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.834 1.136 -3.102 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.827 -0.255 -2.716 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.781 3.421 -2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -8.200 0.010 -2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.799 4.797 -3.230 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.220 1.383 -2.418 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.056 3.388 -2.831 1.00 0.00 H new ATOM 508 N ILE A 34 -4.848 -1.241 0.364 1.00 0.00 N ATOM 509 CA ILE A 34 -4.322 -2.544 0.753 1.00 0.00 C ATOM 510 C ILE A 34 -5.328 -3.652 0.464 1.00 0.00 C ATOM 511 O ILE A 34 -6.312 -3.817 1.186 1.00 0.00 O ATOM 512 CB ILE A 34 -3.952 -2.578 2.248 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.985 -1.441 2.583 1.00 0.00 C ATOM 514 CG2 ILE A 34 -3.344 -3.924 2.612 1.00 0.00 C ATOM 515 CD1 ILE A 34 -1.676 -1.520 1.829 1.00 0.00 C ATOM 0 H ILE A 34 -5.583 -0.883 0.974 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.422 -2.711 0.161 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.860 -2.441 2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.466 -0.488 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.780 -1.453 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.088 -3.933 3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.064 -4.716 2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.444 -4.089 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.040 -0.683 2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.173 -2.457 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.870 -1.477 0.757 1.00 0.00 H new ATOM 527 N THR A 35 -5.075 -4.412 -0.597 1.00 0.00 N ATOM 528 CA THR A 35 -5.958 -5.506 -0.982 1.00 0.00 C ATOM 529 C THR A 35 -5.329 -6.858 -0.665 1.00 0.00 C ATOM 530 O THR A 35 -6.016 -7.791 -0.250 1.00 0.00 O ATOM 531 CB THR A 35 -6.300 -5.450 -2.483 1.00 0.00 C ATOM 532 OG1 THR A 35 -5.118 -5.661 -3.263 1.00 0.00 O ATOM 533 CG2 THR A 35 -6.921 -4.110 -2.847 1.00 0.00 C ATOM 0 H THR A 35 -4.265 -4.290 -1.205 1.00 0.00 H new ATOM 0 HA THR A 35 -6.875 -5.391 -0.404 1.00 0.00 H new ATOM 0 HB THR A 35 -7.022 -6.238 -2.698 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.344 -5.626 -4.216 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.154 -4.094 -3.912 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.836 -3.965 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.218 -3.309 -2.617 1.00 0.00 H new ATOM 541 N ASP A 36 -4.019 -6.957 -0.864 1.00 0.00 N ATOM 542 CA ASP A 36 -3.297 -8.195 -0.598 1.00 0.00 C ATOM 543 C ASP A 36 -2.410 -8.052 0.635 1.00 0.00 C ATOM 544 O ASP A 36 -1.554 -7.170 0.697 1.00 0.00 O ATOM 545 CB ASP A 36 -2.449 -8.586 -1.809 1.00 0.00 C ATOM 546 CG ASP A 36 -2.269 -10.087 -1.930 1.00 0.00 C ATOM 547 OD1 ASP A 36 -3.160 -10.747 -2.505 1.00 0.00 O ATOM 548 OD2 ASP A 36 -1.238 -10.601 -1.450 1.00 0.00 O ATOM 0 H ASP A 36 -3.436 -6.194 -1.209 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.029 -8.980 -0.408 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.919 -8.205 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.471 -8.111 -1.733 1.00 0.00 H new ATOM 553 N MET A 37 -2.621 -8.926 1.614 1.00 0.00 N ATOM 554 CA MET A 37 -1.840 -8.897 2.846 1.00 0.00 C ATOM 555 C MET A 37 -1.055 -10.192 3.022 1.00 0.00 C ATOM 556 O MET A 37 -0.866 -10.667 4.142 1.00 0.00 O ATOM 557 CB MET A 37 -2.757 -8.674 4.051 1.00 0.00 C ATOM 558 CG MET A 37 -3.461 -7.327 4.038 1.00 0.00 C ATOM 559 SD MET A 37 -4.943 -7.308 5.064 1.00 0.00 S ATOM 560 CE MET A 37 -5.128 -5.551 5.360 1.00 0.00 C ATOM 0 H MET A 37 -3.326 -9.663 1.578 1.00 0.00 H new ATOM 0 HA MET A 37 -1.132 -8.071 2.779 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.506 -9.466 4.079 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.169 -8.759 4.965 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.772 -6.558 4.387 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.730 -7.072 3.013 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.985 -5.380 6.012 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.227 -5.165 5.836 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.286 -5.037 4.412 1.00 0.00 H new ATOM 570 N SER A 38 -0.600 -10.760 1.909 1.00 0.00 N ATOM 571 CA SER A 38 0.161 -12.003 1.941 1.00 0.00 C ATOM 572 C SER A 38 1.086 -12.043 3.154 1.00 0.00 C ATOM 573 O SER A 38 1.044 -12.981 3.950 1.00 0.00 O ATOM 574 CB SER A 38 0.978 -12.158 0.657 1.00 0.00 C ATOM 575 OG SER A 38 0.231 -12.825 -0.345 1.00 0.00 O ATOM 0 H SER A 38 -0.745 -10.379 0.974 1.00 0.00 H new ATOM 0 HA SER A 38 -0.544 -12.830 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.282 -11.176 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.890 -12.717 0.868 1.00 0.00 H new ATOM 0 HG SER A 38 -0.333 -12.178 -0.818 1.00 0.00 H new ATOM 581 N ASP A 39 1.920 -11.017 3.288 1.00 0.00 N ATOM 582 CA ASP A 39 2.855 -10.933 4.404 1.00 0.00 C ATOM 583 C ASP A 39 2.412 -9.871 5.405 1.00 0.00 C ATOM 584 O ASP A 39 2.197 -8.713 5.045 1.00 0.00 O ATOM 585 CB ASP A 39 4.262 -10.616 3.895 1.00 0.00 C ATOM 586 CG ASP A 39 5.344 -11.181 4.794 1.00 0.00 C ATOM 587 OD1 ASP A 39 5.146 -12.288 5.335 1.00 0.00 O ATOM 588 OD2 ASP A 39 6.388 -10.516 4.956 1.00 0.00 O ATOM 0 H ASP A 39 1.967 -10.232 2.638 1.00 0.00 H new ATOM 0 HA ASP A 39 2.868 -11.899 4.908 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.381 -11.020 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.383 -9.535 3.820 1.00 0.00 H new ATOM 593 N THR A 40 2.275 -10.272 6.665 1.00 0.00 N ATOM 594 CA THR A 40 1.856 -9.357 7.718 1.00 0.00 C ATOM 595 C THR A 40 2.766 -8.136 7.780 1.00 0.00 C ATOM 596 O THR A 40 2.322 -7.035 8.104 1.00 0.00 O ATOM 597 CB THR A 40 1.849 -10.048 9.094 1.00 0.00 C ATOM 598 OG1 THR A 40 1.027 -11.220 9.050 1.00 0.00 O ATOM 599 CG2 THR A 40 1.338 -9.104 10.172 1.00 0.00 C ATOM 0 H THR A 40 2.449 -11.226 6.981 1.00 0.00 H new ATOM 0 HA THR A 40 0.842 -9.039 7.475 1.00 0.00 H new ATOM 0 HB THR A 40 2.873 -10.332 9.338 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.029 -11.654 9.928 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.342 -9.615 11.135 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.983 -8.227 10.224 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.322 -8.793 9.931 1.00 0.00 H new ATOM 607 N ASN A 41 4.042 -8.338 7.466 1.00 0.00 N ATOM 608 CA ASN A 41 5.015 -7.252 7.486 1.00 0.00 C ATOM 609 C ASN A 41 5.018 -6.499 6.159 1.00 0.00 C ATOM 610 O ASN A 41 5.105 -5.272 6.130 1.00 0.00 O ATOM 611 CB ASN A 41 6.414 -7.798 7.779 1.00 0.00 C ATOM 612 CG ASN A 41 6.557 -8.287 9.207 1.00 0.00 C ATOM 613 OD1 ASN A 41 7.065 -7.572 10.071 1.00 0.00 O ATOM 614 ND2 ASN A 41 6.108 -9.510 9.461 1.00 0.00 N ATOM 0 H ASN A 41 4.426 -9.243 7.195 1.00 0.00 H new ATOM 0 HA ASN A 41 4.731 -6.557 8.276 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.632 -8.617 7.094 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.152 -7.019 7.589 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.177 -9.893 10.404 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.694 -10.067 8.713 1.00 0.00 H new ATOM 621 N TRP A 42 4.921 -7.244 5.063 1.00 0.00 N ATOM 622 CA TRP A 42 4.912 -6.647 3.733 1.00 0.00 C ATOM 623 C TRP A 42 3.555 -6.833 3.062 1.00 0.00 C ATOM 624 O TRP A 42 3.121 -7.959 2.821 1.00 0.00 O ATOM 625 CB TRP A 42 6.011 -7.264 2.867 1.00 0.00 C ATOM 626 CG TRP A 42 7.389 -6.804 3.239 1.00 0.00 C ATOM 627 CD1 TRP A 42 8.389 -7.563 3.774 1.00 0.00 C ATOM 628 CD2 TRP A 42 7.915 -5.479 3.104 1.00 0.00 C ATOM 629 NE1 TRP A 42 9.507 -6.790 3.981 1.00 0.00 N ATOM 630 CE2 TRP A 42 9.242 -5.509 3.577 1.00 0.00 C ATOM 631 CE3 TRP A 42 7.396 -4.272 2.628 1.00 0.00 C ATOM 632 CZ2 TRP A 42 10.053 -4.377 3.588 1.00 0.00 C ATOM 633 CZ3 TRP A 42 8.202 -3.150 2.639 1.00 0.00 C ATOM 634 CH2 TRP A 42 9.519 -3.208 3.116 1.00 0.00 C ATOM 0 H TRP A 42 4.848 -8.261 5.070 1.00 0.00 H new ATOM 0 HA TRP A 42 5.100 -5.579 3.840 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.963 -8.350 2.951 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.823 -7.016 1.822 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.313 -8.616 4.001 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.390 -7.118 4.372 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.383 -4.217 2.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 11.068 -4.420 3.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.811 -2.212 2.274 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.124 -2.313 3.111 1.00 0.00 H new ATOM 645 N TRP A 43 2.891 -5.722 2.764 1.00 0.00 N ATOM 646 CA TRP A 43 1.583 -5.764 2.120 1.00 0.00 C ATOM 647 C TRP A 43 1.657 -5.214 0.700 1.00 0.00 C ATOM 648 O TRP A 43 2.489 -4.359 0.397 1.00 0.00 O ATOM 649 CB TRP A 43 0.564 -4.967 2.937 1.00 0.00 C ATOM 650 CG TRP A 43 0.120 -5.671 4.183 1.00 0.00 C ATOM 651 CD1 TRP A 43 0.208 -7.009 4.444 1.00 0.00 C ATOM 652 CD2 TRP A 43 -0.483 -5.074 5.336 1.00 0.00 C ATOM 653 NE1 TRP A 43 -0.304 -7.279 5.690 1.00 0.00 N ATOM 654 CE2 TRP A 43 -0.733 -6.109 6.258 1.00 0.00 C ATOM 655 CE3 TRP A 43 -0.833 -3.766 5.680 1.00 0.00 C ATOM 656 CZ2 TRP A 43 -1.319 -5.874 7.499 1.00 0.00 C ATOM 657 CZ3 TRP A 43 -1.415 -3.534 6.912 1.00 0.00 C ATOM 658 CH2 TRP A 43 -1.652 -4.584 7.810 1.00 0.00 C ATOM 0 H TRP A 43 3.236 -4.782 2.958 1.00 0.00 H new ATOM 0 HA TRP A 43 1.264 -6.805 2.070 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.999 -4.005 3.207 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.307 -4.760 2.315 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.619 -7.746 3.770 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.356 -8.201 6.122 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.652 -2.951 4.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.504 -6.682 8.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.692 -2.527 7.187 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.106 -4.370 8.766 1.00 0.00 H new ATOM 669 N LYS A 44 0.780 -5.708 -0.168 1.00 0.00 N ATOM 670 CA LYS A 44 0.745 -5.265 -1.557 1.00 0.00 C ATOM 671 C LYS A 44 -0.416 -4.305 -1.792 1.00 0.00 C ATOM 672 O LYS A 44 -1.579 -4.704 -1.771 1.00 0.00 O ATOM 673 CB LYS A 44 0.623 -6.469 -2.494 1.00 0.00 C ATOM 674 CG LYS A 44 1.274 -6.252 -3.849 1.00 0.00 C ATOM 675 CD LYS A 44 1.158 -7.487 -4.727 1.00 0.00 C ATOM 676 CE LYS A 44 2.170 -7.461 -5.863 1.00 0.00 C ATOM 677 NZ LYS A 44 1.682 -8.203 -7.058 1.00 0.00 N ATOM 0 H LYS A 44 0.084 -6.416 0.066 1.00 0.00 H new ATOM 0 HA LYS A 44 1.676 -4.740 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.077 -7.338 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.432 -6.700 -2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.804 -5.404 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.325 -5.999 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.312 -8.381 -4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.150 -7.549 -5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.380 -6.428 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.109 -7.898 -5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.400 -8.162 -7.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.505 -9.195 -6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.799 -7.771 -7.398 1.00 0.00 H new ATOM 691 N GLY A 45 -0.092 -3.035 -2.017 1.00 0.00 N ATOM 692 CA GLY A 45 -1.119 -2.038 -2.254 1.00 0.00 C ATOM 693 C GLY A 45 -0.679 -0.976 -3.243 1.00 0.00 C ATOM 694 O GLY A 45 0.501 -0.884 -3.584 1.00 0.00 O ATOM 0 H GLY A 45 0.864 -2.679 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.018 -2.528 -2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.385 -1.563 -1.310 1.00 0.00 H new ATOM 698 N THR A 46 -1.630 -0.171 -3.707 1.00 0.00 N ATOM 699 CA THR A 46 -1.335 0.888 -4.664 1.00 0.00 C ATOM 700 C THR A 46 -1.728 2.253 -4.112 1.00 0.00 C ATOM 701 O THR A 46 -2.885 2.480 -3.756 1.00 0.00 O ATOM 702 CB THR A 46 -2.066 0.657 -6.000 1.00 0.00 C ATOM 703 OG1 THR A 46 -1.346 -0.293 -6.794 1.00 0.00 O ATOM 704 CG2 THR A 46 -2.213 1.961 -6.769 1.00 0.00 C ATOM 0 H THR A 46 -2.611 -0.233 -3.435 1.00 0.00 H new ATOM 0 HA THR A 46 -0.259 0.866 -4.838 1.00 0.00 H new ATOM 0 HB THR A 46 -3.061 0.268 -5.782 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.580 0.148 -7.217 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.732 1.773 -7.709 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.786 2.672 -6.174 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.226 2.374 -6.976 1.00 0.00 H new ATOM 712 N SER A 47 -0.759 3.161 -4.045 1.00 0.00 N ATOM 713 CA SER A 47 -1.005 4.504 -3.533 1.00 0.00 C ATOM 714 C SER A 47 -0.903 5.538 -4.650 1.00 0.00 C ATOM 715 O SER A 47 -1.914 6.035 -5.146 1.00 0.00 O ATOM 716 CB SER A 47 -0.009 4.839 -2.421 1.00 0.00 C ATOM 717 OG SER A 47 -0.239 6.138 -1.904 1.00 0.00 O ATOM 0 H SER A 47 0.203 2.991 -4.339 1.00 0.00 H new ATOM 0 HA SER A 47 -2.016 4.532 -3.126 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.094 4.105 -1.620 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.008 4.773 -2.808 1.00 0.00 H new ATOM 0 HG SER A 47 -1.155 6.196 -1.560 1.00 0.00 H new ATOM 723 N LYS A 48 0.326 5.857 -5.042 1.00 0.00 N ATOM 724 CA LYS A 48 0.563 6.831 -6.101 1.00 0.00 C ATOM 725 C LYS A 48 0.841 6.133 -7.429 1.00 0.00 C ATOM 726 O LYS A 48 1.961 5.694 -7.688 1.00 0.00 O ATOM 727 CB LYS A 48 1.738 7.739 -5.734 1.00 0.00 C ATOM 728 CG LYS A 48 1.330 8.976 -4.952 1.00 0.00 C ATOM 729 CD LYS A 48 2.521 9.876 -4.671 1.00 0.00 C ATOM 730 CE LYS A 48 2.095 11.325 -4.491 1.00 0.00 C ATOM 731 NZ LYS A 48 3.033 12.074 -3.610 1.00 0.00 N ATOM 0 H LYS A 48 1.174 5.455 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.336 7.438 -6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.457 7.169 -5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.246 8.048 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.578 9.531 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.869 8.677 -4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.034 9.532 -3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.234 9.805 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.044 11.812 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.092 11.358 -4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.708 13.057 -3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.062 11.625 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.985 12.064 -4.029 1.00 0.00 H new ATOM 745 N GLY A 49 -0.185 6.036 -8.268 1.00 0.00 N ATOM 746 CA GLY A 49 -0.029 5.392 -9.559 1.00 0.00 C ATOM 747 C GLY A 49 1.066 4.344 -9.556 1.00 0.00 C ATOM 748 O GLY A 49 1.855 4.258 -10.497 1.00 0.00 O ATOM 0 H GLY A 49 -1.122 6.392 -8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.972 4.927 -9.846 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.196 6.146 -10.313 1.00 0.00 H new ATOM 752 N ARG A 50 1.116 3.546 -8.495 1.00 0.00 N ATOM 753 CA ARG A 50 2.125 2.501 -8.372 1.00 0.00 C ATOM 754 C ARG A 50 1.584 1.313 -7.581 1.00 0.00 C ATOM 755 O ARG A 50 0.607 1.438 -6.842 1.00 0.00 O ATOM 756 CB ARG A 50 3.380 3.051 -7.691 1.00 0.00 C ATOM 757 CG ARG A 50 4.204 3.967 -8.581 1.00 0.00 C ATOM 758 CD ARG A 50 5.341 4.617 -7.809 1.00 0.00 C ATOM 759 NE ARG A 50 6.113 5.536 -8.643 1.00 0.00 N ATOM 760 CZ ARG A 50 6.952 5.138 -9.593 1.00 0.00 C ATOM 761 NH1 ARG A 50 7.126 3.845 -9.829 1.00 0.00 N ATOM 762 NH2 ARG A 50 7.618 6.034 -10.309 1.00 0.00 N ATOM 0 H ARG A 50 0.470 3.603 -7.708 1.00 0.00 H new ATOM 0 HA ARG A 50 2.383 2.161 -9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.087 3.597 -6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.002 2.217 -7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.609 3.396 -9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.562 4.739 -9.004 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.936 5.157 -6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.000 3.844 -7.415 1.00 0.00 H new ATOM 0 HE ARG A 50 6.001 6.538 -8.487 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.615 3.153 -9.281 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.771 3.542 -10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.486 7.030 -10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.262 5.728 -11.038 1.00 0.00 H new ATOM 776 N THR A 51 2.225 0.160 -7.743 1.00 0.00 N ATOM 777 CA THR A 51 1.808 -1.051 -7.046 1.00 0.00 C ATOM 778 C THR A 51 3.012 -1.845 -6.553 1.00 0.00 C ATOM 779 O THR A 51 3.720 -2.471 -7.341 1.00 0.00 O ATOM 780 CB THR A 51 0.949 -1.953 -7.953 1.00 0.00 C ATOM 781 OG1 THR A 51 0.020 -1.157 -8.697 1.00 0.00 O ATOM 782 CG2 THR A 51 0.194 -2.985 -7.130 1.00 0.00 C ATOM 0 H THR A 51 3.035 0.039 -8.351 1.00 0.00 H new ATOM 0 HA THR A 51 1.211 -0.734 -6.191 1.00 0.00 H new ATOM 0 HB THR A 51 1.613 -2.475 -8.642 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.856 -1.180 -8.258 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.405 -3.610 -7.792 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.905 -3.608 -6.587 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.459 -2.477 -6.420 1.00 0.00 H new ATOM 790 N GLY A 52 3.239 -1.814 -5.243 1.00 0.00 N ATOM 791 CA GLY A 52 4.359 -2.536 -4.668 1.00 0.00 C ATOM 792 C GLY A 52 4.127 -2.905 -3.216 1.00 0.00 C ATOM 793 O GLY A 52 3.026 -2.729 -2.692 1.00 0.00 O ATOM 0 H GLY A 52 2.668 -1.302 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.538 -3.443 -5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.259 -1.926 -4.745 1.00 0.00 H new ATOM 797 N LEU A 53 5.164 -3.420 -2.565 1.00 0.00 N ATOM 798 CA LEU A 53 5.067 -3.818 -1.165 1.00 0.00 C ATOM 799 C LEU A 53 5.026 -2.595 -0.254 1.00 0.00 C ATOM 800 O LEU A 53 5.574 -1.543 -0.585 1.00 0.00 O ATOM 801 CB LEU A 53 6.250 -4.711 -0.786 1.00 0.00 C ATOM 802 CG LEU A 53 6.160 -6.170 -1.236 1.00 0.00 C ATOM 803 CD1 LEU A 53 7.351 -6.962 -0.719 1.00 0.00 C ATOM 804 CD2 LEU A 53 4.856 -6.795 -0.764 1.00 0.00 C ATOM 0 H LEU A 53 6.082 -3.572 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 53 4.141 -4.377 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.157 -4.277 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.361 -4.692 0.298 1.00 0.00 H new ATOM 0 HG LEU A 53 6.178 -6.196 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.270 -7.998 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.273 -6.528 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.365 -6.928 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.810 -7.833 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.807 -6.757 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.015 -6.243 -1.184 1.00 0.00 H new ATOM 816 N ILE A 54 4.375 -2.742 0.895 1.00 0.00 N ATOM 817 CA ILE A 54 4.266 -1.651 1.856 1.00 0.00 C ATOM 818 C ILE A 54 4.398 -2.163 3.286 1.00 0.00 C ATOM 819 O ILE A 54 3.794 -3.164 3.672 1.00 0.00 O ATOM 820 CB ILE A 54 2.926 -0.906 1.711 1.00 0.00 C ATOM 821 CG1 ILE A 54 2.601 -0.680 0.233 1.00 0.00 C ATOM 822 CG2 ILE A 54 2.974 0.419 2.456 1.00 0.00 C ATOM 823 CD1 ILE A 54 1.176 -0.234 -0.011 1.00 0.00 C ATOM 0 H ILE A 54 3.915 -3.606 1.183 1.00 0.00 H new ATOM 0 HA ILE A 54 5.082 -0.960 1.643 1.00 0.00 H new ATOM 0 HB ILE A 54 2.137 -1.518 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.282 0.070 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.783 -1.604 -0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.020 0.934 2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.166 0.235 3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.771 1.039 2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.017 -0.093 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.488 -0.993 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.995 0.706 0.510 1.00 0.00 H new ATOM 835 N PRO A 55 5.205 -1.459 4.094 1.00 0.00 N ATOM 836 CA PRO A 55 5.434 -1.822 5.496 1.00 0.00 C ATOM 837 C PRO A 55 4.201 -1.589 6.363 1.00 0.00 C ATOM 838 O PRO A 55 3.767 -0.453 6.549 1.00 0.00 O ATOM 839 CB PRO A 55 6.571 -0.890 5.922 1.00 0.00 C ATOM 840 CG PRO A 55 6.461 0.283 5.011 1.00 0.00 C ATOM 841 CD PRO A 55 5.957 -0.255 3.701 1.00 0.00 C ATOM 0 HA PRO A 55 5.667 -2.881 5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.468 -0.592 6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.541 -1.378 5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.776 1.028 5.416 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.427 0.772 4.886 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.321 0.467 3.188 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.776 -0.496 3.024 1.00 0.00 H new ATOM 849 N SER A 56 3.642 -2.673 6.892 1.00 0.00 N ATOM 850 CA SER A 56 2.457 -2.587 7.737 1.00 0.00 C ATOM 851 C SER A 56 2.779 -1.888 9.054 1.00 0.00 C ATOM 852 O SER A 56 1.887 -1.603 9.852 1.00 0.00 O ATOM 853 CB SER A 56 1.898 -3.984 8.011 1.00 0.00 C ATOM 854 OG SER A 56 2.561 -4.593 9.106 1.00 0.00 O ATOM 0 H SER A 56 3.991 -3.621 6.750 1.00 0.00 H new ATOM 0 HA SER A 56 1.706 -2.000 7.209 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.830 -3.917 8.220 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.011 -4.605 7.122 1.00 0.00 H new ATOM 0 HG SER A 56 2.816 -5.508 8.866 1.00 0.00 H new ATOM 860 N ASN A 57 4.061 -1.615 9.274 1.00 0.00 N ATOM 861 CA ASN A 57 4.503 -0.950 10.495 1.00 0.00 C ATOM 862 C ASN A 57 4.343 0.563 10.378 1.00 0.00 C ATOM 863 O ASN A 57 3.958 1.233 11.337 1.00 0.00 O ATOM 864 CB ASN A 57 5.963 -1.298 10.791 1.00 0.00 C ATOM 865 CG ASN A 57 6.145 -2.757 11.162 1.00 0.00 C ATOM 866 OD1 ASN A 57 5.825 -3.170 12.277 1.00 0.00 O ATOM 867 ND2 ASN A 57 6.663 -3.546 10.227 1.00 0.00 N ATOM 0 H ASN A 57 4.812 -1.844 8.623 1.00 0.00 H new ATOM 0 HA ASN A 57 3.879 -1.302 11.317 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.573 -1.069 9.917 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.325 -0.671 11.605 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.810 -4.537 10.420 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.914 -3.161 9.316 1.00 0.00 H new ATOM 874 N TYR A 58 4.640 1.094 9.198 1.00 0.00 N ATOM 875 CA TYR A 58 4.531 2.528 8.956 1.00 0.00 C ATOM 876 C TYR A 58 3.075 2.937 8.754 1.00 0.00 C ATOM 877 O TYR A 58 2.644 3.992 9.220 1.00 0.00 O ATOM 878 CB TYR A 58 5.358 2.924 7.732 1.00 0.00 C ATOM 879 CG TYR A 58 6.796 3.259 8.056 1.00 0.00 C ATOM 880 CD1 TYR A 58 7.747 2.258 8.208 1.00 0.00 C ATOM 881 CD2 TYR A 58 7.205 4.579 8.208 1.00 0.00 C ATOM 882 CE1 TYR A 58 9.062 2.560 8.505 1.00 0.00 C ATOM 883 CE2 TYR A 58 8.518 4.890 8.503 1.00 0.00 C ATOM 884 CZ TYR A 58 9.443 3.877 8.651 1.00 0.00 C ATOM 885 OH TYR A 58 10.752 4.182 8.945 1.00 0.00 O ATOM 0 H TYR A 58 4.958 0.553 8.394 1.00 0.00 H new ATOM 0 HA TYR A 58 4.918 3.049 9.832 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.338 2.107 7.010 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.892 3.785 7.252 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.453 1.225 8.092 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.484 5.375 8.093 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.788 1.769 8.622 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.819 5.921 8.617 1.00 0.00 H new ATOM 0 HH TYR A 58 10.854 5.154 9.013 1.00 0.00 H new ATOM 895 N VAL A 59 2.321 2.094 8.056 1.00 0.00 N ATOM 896 CA VAL A 59 0.913 2.365 7.793 1.00 0.00 C ATOM 897 C VAL A 59 0.019 1.663 8.809 1.00 0.00 C ATOM 898 O VAL A 59 0.462 0.768 9.527 1.00 0.00 O ATOM 899 CB VAL A 59 0.511 1.917 6.375 1.00 0.00 C ATOM 900 CG1 VAL A 59 1.543 2.376 5.357 1.00 0.00 C ATOM 901 CG2 VAL A 59 0.334 0.407 6.324 1.00 0.00 C ATOM 0 H VAL A 59 2.662 1.217 7.662 1.00 0.00 H new ATOM 0 HA VAL A 59 0.777 3.443 7.878 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.443 2.380 6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.242 2.050 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.615 3.463 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.513 1.944 5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.050 0.108 5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.271 -0.079 6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.446 0.108 7.024 1.00 0.00 H new ATOM 911 N ALA A 60 -1.243 2.076 8.863 1.00 0.00 N ATOM 912 CA ALA A 60 -2.201 1.486 9.790 1.00 0.00 C ATOM 913 C ALA A 60 -3.627 1.629 9.270 1.00 0.00 C ATOM 914 O ALA A 60 -3.903 2.468 8.413 1.00 0.00 O ATOM 915 CB ALA A 60 -2.071 2.127 11.163 1.00 0.00 C ATOM 0 H ALA A 60 -1.626 2.817 8.276 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.978 0.422 9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.792 1.677 11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.063 1.968 11.545 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.265 3.197 11.085 1.00 0.00 H new ATOM 921 N GLU A 61 -4.529 0.804 9.794 1.00 0.00 N ATOM 922 CA GLU A 61 -5.927 0.840 9.380 1.00 0.00 C ATOM 923 C GLU A 61 -6.557 2.191 9.705 1.00 0.00 C ATOM 924 O GLU A 61 -6.404 2.707 10.812 1.00 0.00 O ATOM 925 CB GLU A 61 -6.713 -0.280 10.066 1.00 0.00 C ATOM 926 CG GLU A 61 -7.247 0.102 11.436 1.00 0.00 C ATOM 927 CD GLU A 61 -7.406 -1.094 12.354 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.442 -1.784 12.258 1.00 0.00 O ATOM 929 OE2 GLU A 61 -6.493 -1.340 13.170 1.00 0.00 O ATOM 0 H GLU A 61 -4.317 0.104 10.505 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.964 0.693 8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.548 -0.570 9.428 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.070 -1.154 10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.571 0.822 11.897 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.211 0.598 11.321 1.00 0.00 H new ATOM 936 N GLN A 62 -7.263 2.757 8.733 1.00 0.00 N ATOM 937 CA GLN A 62 -7.915 4.049 8.915 1.00 0.00 C ATOM 938 C GLN A 62 -9.330 3.873 9.457 1.00 0.00 C ATOM 939 O GLN A 62 -10.175 3.243 8.822 1.00 0.00 O ATOM 940 CB GLN A 62 -7.955 4.815 7.591 1.00 0.00 C ATOM 941 CG GLN A 62 -6.581 5.063 6.991 1.00 0.00 C ATOM 942 CD GLN A 62 -6.591 6.161 5.945 1.00 0.00 C ATOM 943 OE1 GLN A 62 -5.899 5.929 4.836 1.00 0.00 O flip ATOM 944 NE2 GLN A 62 -7.214 7.207 6.132 1.00 0.00 N flip ATOM 0 H GLN A 62 -7.399 2.342 7.811 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.336 4.621 9.640 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.559 4.257 6.876 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.452 5.772 7.749 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.884 5.330 7.786 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.213 4.141 6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.733 7.343 7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.211 7.937 5.419 1.00 0.00 H new ATOM 953 N SER A 63 -9.580 4.434 10.636 1.00 0.00 N ATOM 954 CA SER A 63 -10.892 4.336 11.266 1.00 0.00 C ATOM 955 C SER A 63 -11.686 5.625 11.072 1.00 0.00 C ATOM 956 O SER A 63 -11.261 6.698 11.496 1.00 0.00 O ATOM 957 CB SER A 63 -10.743 4.035 12.758 1.00 0.00 C ATOM 958 OG SER A 63 -12.005 4.013 13.402 1.00 0.00 O ATOM 0 H SER A 63 -8.892 4.961 11.174 1.00 0.00 H new ATOM 0 HA SER A 63 -11.436 3.520 10.790 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.247 3.074 12.890 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.107 4.789 13.223 1.00 0.00 H new ATOM 0 HG SER A 63 -11.883 3.817 14.354 1.00 0.00 H new ATOM 964 N GLY A 64 -12.843 5.508 10.427 1.00 0.00 N ATOM 965 CA GLY A 64 -13.678 6.671 10.188 1.00 0.00 C ATOM 966 C GLY A 64 -14.979 6.316 9.494 1.00 0.00 C ATOM 967 O GLY A 64 -15.271 5.149 9.235 1.00 0.00 O ATOM 0 H GLY A 64 -13.216 4.630 10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.897 7.159 11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.129 7.390 9.580 1.00 0.00 H new ATOM 971 N PRO A 65 -15.786 7.341 9.183 1.00 0.00 N ATOM 972 CA PRO A 65 -17.077 7.157 8.513 1.00 0.00 C ATOM 973 C PRO A 65 -16.918 6.715 7.062 1.00 0.00 C ATOM 974 O PRO A 65 -16.000 7.150 6.367 1.00 0.00 O ATOM 975 CB PRO A 65 -17.714 8.547 8.581 1.00 0.00 C ATOM 976 CG PRO A 65 -16.562 9.487 8.684 1.00 0.00 C ATOM 977 CD PRO A 65 -15.502 8.759 9.463 1.00 0.00 C ATOM 0 HA PRO A 65 -17.674 6.376 8.985 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.314 8.751 7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -18.377 8.637 9.442 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.197 9.767 7.696 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -16.854 10.408 9.189 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.500 9.040 9.138 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.565 8.979 10.529 1.00 0.00 H new ATOM 985 N SER A 66 -17.819 5.848 6.611 1.00 0.00 N ATOM 986 CA SER A 66 -17.776 5.344 5.243 1.00 0.00 C ATOM 987 C SER A 66 -18.682 6.168 4.332 1.00 0.00 C ATOM 988 O SER A 66 -18.228 6.741 3.342 1.00 0.00 O ATOM 989 CB SER A 66 -18.198 3.874 5.205 1.00 0.00 C ATOM 990 OG SER A 66 -18.181 3.372 3.880 1.00 0.00 O ATOM 0 H SER A 66 -18.587 5.480 7.172 1.00 0.00 H new ATOM 0 HA SER A 66 -16.751 5.430 4.882 1.00 0.00 H new ATOM 0 HB2 SER A 66 -17.527 3.284 5.829 1.00 0.00 H new ATOM 0 HB3 SER A 66 -19.199 3.769 5.624 1.00 0.00 H new ATOM 0 HG SER A 66 -18.453 2.430 3.883 1.00 0.00 H new ATOM 996 N SER A 67 -19.964 6.223 4.676 1.00 0.00 N ATOM 997 CA SER A 67 -20.935 6.973 3.888 1.00 0.00 C ATOM 998 C SER A 67 -21.088 8.393 4.424 1.00 0.00 C ATOM 999 O SER A 67 -21.635 8.606 5.505 1.00 0.00 O ATOM 1000 CB SER A 67 -22.291 6.263 3.900 1.00 0.00 C ATOM 1001 OG SER A 67 -23.175 6.836 2.952 1.00 0.00 O ATOM 0 H SER A 67 -20.355 5.757 5.495 1.00 0.00 H new ATOM 0 HA SER A 67 -20.570 7.027 2.862 1.00 0.00 H new ATOM 0 HB2 SER A 67 -22.153 5.204 3.680 1.00 0.00 H new ATOM 0 HB3 SER A 67 -22.730 6.327 4.896 1.00 0.00 H new ATOM 0 HG SER A 67 -24.033 6.364 2.978 1.00 0.00 H new ATOM 1007 N GLY A 68 -20.599 9.364 3.657 1.00 0.00 N ATOM 1008 CA GLY A 68 -20.690 10.752 4.070 1.00 0.00 C ATOM 1009 C GLY A 68 -19.405 11.256 4.697 1.00 0.00 C ATOM 1010 O GLY A 68 -18.499 11.706 3.995 1.00 0.00 O ATOM 0 H GLY A 68 -20.142 9.213 2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -20.936 11.370 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -21.507 10.863 4.783 1.00 0.00 H new TER 1014 GLY A 68