USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=23 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 -88:sc= 1.6 USER MOD Set 1.2: A 51 THR OG1 : rot -93:sc= 1.3 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 172:sc= -2.17 (180deg=-2.49) USER MOD Set 2.2: A 37 MET CE :methyl -157:sc= -1.69 (180deg=-3.05) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.154 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=-0.00906 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0649 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.801 USER MOD Single : A 25 TYR OH : rot 180:sc=-0.00784 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00409 USER MOD Single : A 38 SER OG : rot 93:sc= 0.167 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+ 130:sc= -0.714 (180deg=-1.32) USER MOD Single : A 47 SER OG : rot 66:sc= 0.992 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 28:sc= 1.08 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.95! C(o=-1.9!,f=-1.8!) USER MOD Single : A 63 SER OG : rot 42:sc= 0.866 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 -21.959 -13.736 -1.369 1.00 0.00 N ATOM 2 CA GLY A 1 -22.112 -12.660 -2.331 1.00 0.00 C ATOM 3 C GLY A 1 -20.879 -11.783 -2.421 1.00 0.00 C ATOM 4 O GLY A 1 -20.282 -11.432 -1.402 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.828 -14.306 -1.345 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.157 -14.338 -1.646 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.781 -13.336 -0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.326 -13.082 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.970 -12.048 -2.053 1.00 0.00 H new ATOM 8 N SER A 2 -20.494 -11.428 -3.643 1.00 0.00 N ATOM 9 CA SER A 2 -19.321 -10.591 -3.862 1.00 0.00 C ATOM 10 C SER A 2 -19.720 -9.128 -4.029 1.00 0.00 C ATOM 11 O SER A 2 -20.620 -8.803 -4.803 1.00 0.00 O ATOM 12 CB SER A 2 -18.553 -11.066 -5.097 1.00 0.00 C ATOM 13 OG SER A 2 -19.284 -10.805 -6.283 1.00 0.00 O ATOM 0 H SER A 2 -20.978 -11.707 -4.496 1.00 0.00 H new ATOM 0 HA SER A 2 -18.677 -10.676 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.587 -10.564 -5.144 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.354 -12.135 -5.017 1.00 0.00 H new ATOM 0 HG SER A 2 -19.911 -10.068 -6.125 1.00 0.00 H new ATOM 19 N SER A 3 -19.044 -8.249 -3.296 1.00 0.00 N ATOM 20 CA SER A 3 -19.330 -6.820 -3.359 1.00 0.00 C ATOM 21 C SER A 3 -18.779 -6.212 -4.645 1.00 0.00 C ATOM 22 O SER A 3 -17.713 -6.600 -5.122 1.00 0.00 O ATOM 23 CB SER A 3 -18.732 -6.105 -2.146 1.00 0.00 C ATOM 24 OG SER A 3 -19.233 -4.784 -2.035 1.00 0.00 O ATOM 0 H SER A 3 -18.295 -8.501 -2.652 1.00 0.00 H new ATOM 0 HA SER A 3 -20.412 -6.690 -3.351 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.965 -6.663 -1.239 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.646 -6.079 -2.234 1.00 0.00 H new ATOM 0 HG SER A 3 -18.837 -4.349 -1.251 1.00 0.00 H new ATOM 30 N GLY A 4 -19.514 -5.254 -5.202 1.00 0.00 N ATOM 31 CA GLY A 4 -19.084 -4.607 -6.428 1.00 0.00 C ATOM 32 C GLY A 4 -17.621 -4.210 -6.392 1.00 0.00 C ATOM 33 O GLY A 4 -16.925 -4.287 -7.404 1.00 0.00 O ATOM 0 H GLY A 4 -20.399 -4.915 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.254 -5.279 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.694 -3.720 -6.600 1.00 0.00 H new ATOM 37 N SER A 5 -17.155 -3.783 -5.223 1.00 0.00 N ATOM 38 CA SER A 5 -15.767 -3.367 -5.060 1.00 0.00 C ATOM 39 C SER A 5 -15.297 -3.591 -3.625 1.00 0.00 C ATOM 40 O SER A 5 -16.101 -3.606 -2.693 1.00 0.00 O ATOM 41 CB SER A 5 -15.606 -1.893 -5.437 1.00 0.00 C ATOM 42 OG SER A 5 -14.257 -1.590 -5.746 1.00 0.00 O ATOM 0 H SER A 5 -17.718 -3.716 -4.375 1.00 0.00 H new ATOM 0 HA SER A 5 -15.152 -3.974 -5.724 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.239 -1.662 -6.294 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.944 -1.265 -4.613 1.00 0.00 H new ATOM 0 HG SER A 5 -14.181 -0.643 -5.985 1.00 0.00 H new ATOM 48 N SER A 6 -13.990 -3.764 -3.457 1.00 0.00 N ATOM 49 CA SER A 6 -13.412 -3.991 -2.138 1.00 0.00 C ATOM 50 C SER A 6 -12.016 -3.384 -2.045 1.00 0.00 C ATOM 51 O SER A 6 -11.474 -2.890 -3.033 1.00 0.00 O ATOM 52 CB SER A 6 -13.350 -5.489 -1.836 1.00 0.00 C ATOM 53 OG SER A 6 -13.138 -5.723 -0.454 1.00 0.00 O ATOM 0 H SER A 6 -13.311 -3.751 -4.218 1.00 0.00 H new ATOM 0 HA SER A 6 -14.051 -3.505 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.279 -5.965 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.546 -5.946 -2.413 1.00 0.00 H new ATOM 0 HG SER A 6 -13.104 -6.688 -0.287 1.00 0.00 H new ATOM 59 N GLY A 7 -11.438 -3.424 -0.847 1.00 0.00 N ATOM 60 CA GLY A 7 -10.111 -2.875 -0.645 1.00 0.00 C ATOM 61 C GLY A 7 -10.036 -1.969 0.568 1.00 0.00 C ATOM 62 O GLY A 7 -10.837 -1.045 0.712 1.00 0.00 O ATOM 0 H GLY A 7 -11.866 -3.827 -0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.397 -3.691 -0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.814 -2.315 -1.532 1.00 0.00 H new ATOM 66 N LYS A 8 -9.073 -2.233 1.443 1.00 0.00 N ATOM 67 CA LYS A 8 -8.896 -1.436 2.651 1.00 0.00 C ATOM 68 C LYS A 8 -8.066 -0.189 2.363 1.00 0.00 C ATOM 69 O LYS A 8 -7.261 -0.168 1.432 1.00 0.00 O ATOM 70 CB LYS A 8 -8.222 -2.269 3.743 1.00 0.00 C ATOM 71 CG LYS A 8 -9.180 -3.177 4.495 1.00 0.00 C ATOM 72 CD LYS A 8 -8.439 -4.263 5.256 1.00 0.00 C ATOM 73 CE LYS A 8 -8.247 -5.509 4.405 1.00 0.00 C ATOM 74 NZ LYS A 8 -7.634 -5.190 3.086 1.00 0.00 N ATOM 0 H LYS A 8 -8.402 -2.994 1.338 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.881 -1.124 2.997 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.437 -2.877 3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.738 -1.598 4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.773 -2.584 5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.876 -3.635 3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.467 -3.886 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.994 -4.520 6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.614 -6.219 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.210 -5.995 4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.395 -6.073 2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.308 -4.644 2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.770 -4.630 3.231 1.00 0.00 H new ATOM 88 N VAL A 9 -8.266 0.849 3.169 1.00 0.00 N ATOM 89 CA VAL A 9 -7.534 2.099 3.002 1.00 0.00 C ATOM 90 C VAL A 9 -6.634 2.373 4.202 1.00 0.00 C ATOM 91 O VAL A 9 -7.115 2.639 5.304 1.00 0.00 O ATOM 92 CB VAL A 9 -8.492 3.289 2.810 1.00 0.00 C ATOM 93 CG1 VAL A 9 -7.711 4.588 2.681 1.00 0.00 C ATOM 94 CG2 VAL A 9 -9.379 3.068 1.594 1.00 0.00 C ATOM 0 H VAL A 9 -8.929 0.849 3.944 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.920 1.989 2.108 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.132 3.363 3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.405 5.418 2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.123 4.750 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.045 4.528 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.050 3.919 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.758 2.967 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.966 2.160 1.732 1.00 0.00 H new ATOM 104 N PHE A 10 -5.326 2.308 3.981 1.00 0.00 N ATOM 105 CA PHE A 10 -4.357 2.549 5.044 1.00 0.00 C ATOM 106 C PHE A 10 -3.642 3.881 4.836 1.00 0.00 C ATOM 107 O PHE A 10 -3.353 4.273 3.706 1.00 0.00 O ATOM 108 CB PHE A 10 -3.336 1.412 5.100 1.00 0.00 C ATOM 109 CG PHE A 10 -3.826 0.201 5.841 1.00 0.00 C ATOM 110 CD1 PHE A 10 -4.816 -0.605 5.301 1.00 0.00 C ATOM 111 CD2 PHE A 10 -3.297 -0.132 7.078 1.00 0.00 C ATOM 112 CE1 PHE A 10 -5.269 -1.718 5.982 1.00 0.00 C ATOM 113 CE2 PHE A 10 -3.747 -1.245 7.763 1.00 0.00 C ATOM 114 CZ PHE A 10 -4.734 -2.040 7.214 1.00 0.00 C ATOM 0 H PHE A 10 -4.912 2.090 3.075 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.896 2.590 5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.070 1.123 4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.425 1.775 5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.238 -0.360 4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.524 0.485 7.512 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.042 -2.337 5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.327 -1.493 8.727 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.086 -2.911 7.747 1.00 0.00 H new ATOM 124 N ARG A 11 -3.359 4.572 5.936 1.00 0.00 N ATOM 125 CA ARG A 11 -2.680 5.860 5.876 1.00 0.00 C ATOM 126 C ARG A 11 -1.225 5.729 6.319 1.00 0.00 C ATOM 127 O ARG A 11 -0.915 4.989 7.253 1.00 0.00 O ATOM 128 CB ARG A 11 -3.402 6.883 6.754 1.00 0.00 C ATOM 129 CG ARG A 11 -2.925 8.311 6.543 1.00 0.00 C ATOM 130 CD ARG A 11 -3.553 8.931 5.305 1.00 0.00 C ATOM 131 NE ARG A 11 -3.605 10.388 5.389 1.00 0.00 N ATOM 132 CZ ARG A 11 -4.499 11.051 6.115 1.00 0.00 C ATOM 133 NH1 ARG A 11 -5.410 10.390 6.816 1.00 0.00 N ATOM 134 NH2 ARG A 11 -4.482 12.378 6.141 1.00 0.00 N ATOM 0 H ARG A 11 -3.590 4.261 6.879 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.697 6.204 4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.472 6.833 6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.263 6.613 7.801 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.173 8.912 7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.839 8.323 6.446 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.982 8.639 4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.562 8.539 5.175 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.918 10.926 4.862 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.426 9.370 6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.095 10.901 7.372 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.782 12.890 5.603 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.169 12.886 6.699 1.00 0.00 H new ATOM 148 N ALA A 12 -0.338 6.451 5.643 1.00 0.00 N ATOM 149 CA ALA A 12 1.082 6.416 5.968 1.00 0.00 C ATOM 150 C ALA A 12 1.390 7.295 7.175 1.00 0.00 C ATOM 151 O ALA A 12 1.383 8.523 7.080 1.00 0.00 O ATOM 152 CB ALA A 12 1.909 6.855 4.768 1.00 0.00 C ATOM 0 H ALA A 12 -0.578 7.067 4.867 1.00 0.00 H new ATOM 0 HA ALA A 12 1.347 5.389 6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.968 6.824 5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.719 6.184 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.633 7.872 4.488 1.00 0.00 H new ATOM 158 N LEU A 13 1.660 6.660 8.310 1.00 0.00 N ATOM 159 CA LEU A 13 1.971 7.385 9.537 1.00 0.00 C ATOM 160 C LEU A 13 3.203 8.265 9.353 1.00 0.00 C ATOM 161 O LEU A 13 3.330 9.313 9.987 1.00 0.00 O ATOM 162 CB LEU A 13 2.199 6.404 10.689 1.00 0.00 C ATOM 163 CG LEU A 13 1.060 5.422 10.969 1.00 0.00 C ATOM 164 CD1 LEU A 13 1.556 4.255 11.808 1.00 0.00 C ATOM 165 CD2 LEU A 13 -0.093 6.129 11.666 1.00 0.00 C ATOM 0 H LEU A 13 1.670 5.645 8.406 1.00 0.00 H new ATOM 0 HA LEU A 13 1.122 8.026 9.776 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.102 5.831 10.479 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.389 6.978 11.596 1.00 0.00 H new ATOM 0 HG LEU A 13 0.700 5.032 10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.732 3.567 11.997 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.349 3.733 11.273 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.943 4.627 12.757 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.895 5.416 11.858 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.254 6.547 12.611 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.466 6.931 11.029 1.00 0.00 H new ATOM 177 N TYR A 14 4.106 7.834 8.480 1.00 0.00 N ATOM 178 CA TYR A 14 5.328 8.583 8.212 1.00 0.00 C ATOM 179 C TYR A 14 5.937 8.172 6.874 1.00 0.00 C ATOM 180 O TYR A 14 5.616 7.115 6.331 1.00 0.00 O ATOM 181 CB TYR A 14 6.343 8.362 9.335 1.00 0.00 C ATOM 182 CG TYR A 14 5.708 8.108 10.684 1.00 0.00 C ATOM 183 CD1 TYR A 14 5.285 6.834 11.044 1.00 0.00 C ATOM 184 CD2 TYR A 14 5.530 9.140 11.596 1.00 0.00 C ATOM 185 CE1 TYR A 14 4.703 6.597 12.275 1.00 0.00 C ATOM 186 CE2 TYR A 14 4.950 8.911 12.829 1.00 0.00 C ATOM 187 CZ TYR A 14 4.539 7.638 13.164 1.00 0.00 C ATOM 188 OH TYR A 14 3.960 7.407 14.391 1.00 0.00 O ATOM 0 H TYR A 14 4.015 6.970 7.946 1.00 0.00 H new ATOM 0 HA TYR A 14 5.072 9.641 8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.979 7.515 9.077 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.990 9.237 9.406 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.413 6.016 10.351 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.850 10.138 11.337 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.378 5.601 12.539 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.819 9.725 13.527 1.00 0.00 H new ATOM 0 HH TYR A 14 3.920 8.245 14.897 1.00 0.00 H new ATOM 198 N THR A 15 6.819 9.016 6.349 1.00 0.00 N ATOM 199 CA THR A 15 7.473 8.744 5.075 1.00 0.00 C ATOM 200 C THR A 15 8.319 7.478 5.152 1.00 0.00 C ATOM 201 O THR A 15 9.232 7.378 5.973 1.00 0.00 O ATOM 202 CB THR A 15 8.367 9.920 4.639 1.00 0.00 C ATOM 203 OG1 THR A 15 7.613 11.138 4.650 1.00 0.00 O ATOM 204 CG2 THR A 15 8.935 9.681 3.249 1.00 0.00 C ATOM 0 H THR A 15 7.097 9.894 6.787 1.00 0.00 H new ATOM 0 HA THR A 15 6.683 8.606 4.337 1.00 0.00 H new ATOM 0 HB THR A 15 9.195 10.000 5.343 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.188 11.881 4.373 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.563 10.525 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.532 8.769 3.252 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.118 9.578 2.535 1.00 0.00 H new ATOM 212 N PHE A 16 8.012 6.513 4.291 1.00 0.00 N ATOM 213 CA PHE A 16 8.745 5.253 4.262 1.00 0.00 C ATOM 214 C PHE A 16 9.791 5.258 3.150 1.00 0.00 C ATOM 215 O PHE A 16 9.566 5.812 2.075 1.00 0.00 O ATOM 216 CB PHE A 16 7.781 4.082 4.065 1.00 0.00 C ATOM 217 CG PHE A 16 8.456 2.818 3.615 1.00 0.00 C ATOM 218 CD1 PHE A 16 9.338 2.153 4.451 1.00 0.00 C ATOM 219 CD2 PHE A 16 8.210 2.296 2.355 1.00 0.00 C ATOM 220 CE1 PHE A 16 9.961 0.989 4.040 1.00 0.00 C ATOM 221 CE2 PHE A 16 8.830 1.133 1.939 1.00 0.00 C ATOM 222 CZ PHE A 16 9.707 0.479 2.782 1.00 0.00 C ATOM 0 H PHE A 16 7.261 6.580 3.604 1.00 0.00 H new ATOM 0 HA PHE A 16 9.256 5.137 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.258 3.891 5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.027 4.363 3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.541 2.548 5.435 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.526 2.804 1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.645 0.479 4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.629 0.736 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.193 -0.429 2.458 1.00 0.00 H new ATOM 232 N GLU A 17 10.935 4.637 3.420 1.00 0.00 N ATOM 233 CA GLU A 17 12.016 4.571 2.443 1.00 0.00 C ATOM 234 C GLU A 17 12.247 3.134 1.983 1.00 0.00 C ATOM 235 O GLU A 17 12.911 2.341 2.652 1.00 0.00 O ATOM 236 CB GLU A 17 13.305 5.142 3.037 1.00 0.00 C ATOM 237 CG GLU A 17 13.251 6.640 3.282 1.00 0.00 C ATOM 238 CD GLU A 17 14.628 7.274 3.326 1.00 0.00 C ATOM 239 OE1 GLU A 17 15.565 6.625 3.837 1.00 0.00 O ATOM 240 OE2 GLU A 17 14.769 8.420 2.848 1.00 0.00 O ATOM 0 H GLU A 17 11.137 4.173 4.306 1.00 0.00 H new ATOM 0 HA GLU A 17 11.727 5.169 1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.516 4.636 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.134 4.922 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.663 7.112 2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.736 6.832 4.223 1.00 0.00 H new ATOM 247 N PRO A 18 11.686 2.790 0.815 1.00 0.00 N ATOM 248 CA PRO A 18 11.817 1.448 0.239 1.00 0.00 C ATOM 249 C PRO A 18 13.234 1.160 -0.244 1.00 0.00 C ATOM 250 O PRO A 18 13.736 1.819 -1.155 1.00 0.00 O ATOM 251 CB PRO A 18 10.844 1.473 -0.942 1.00 0.00 C ATOM 252 CG PRO A 18 10.739 2.911 -1.317 1.00 0.00 C ATOM 253 CD PRO A 18 10.882 3.684 -0.035 1.00 0.00 C ATOM 0 HA PRO A 18 11.602 0.668 0.970 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.215 0.873 -1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.873 1.065 -0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.518 3.187 -2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.782 3.121 -1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.380 4.640 -0.196 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.913 3.901 0.414 1.00 0.00 H new ATOM 261 N ARG A 19 13.875 0.171 0.371 1.00 0.00 N ATOM 262 CA ARG A 19 15.235 -0.203 0.004 1.00 0.00 C ATOM 263 C ARG A 19 15.248 -0.991 -1.303 1.00 0.00 C ATOM 264 O ARG A 19 16.234 -0.976 -2.041 1.00 0.00 O ATOM 265 CB ARG A 19 15.877 -1.032 1.117 1.00 0.00 C ATOM 266 CG ARG A 19 16.381 -0.199 2.284 1.00 0.00 C ATOM 267 CD ARG A 19 15.235 0.293 3.154 1.00 0.00 C ATOM 268 NE ARG A 19 15.711 0.923 4.382 1.00 0.00 N ATOM 269 CZ ARG A 19 16.127 0.242 5.444 1.00 0.00 C ATOM 270 NH1 ARG A 19 16.126 -1.083 5.427 1.00 0.00 N ATOM 271 NH2 ARG A 19 16.546 0.887 6.525 1.00 0.00 N ATOM 0 H ARG A 19 13.474 -0.385 1.126 1.00 0.00 H new ATOM 0 HA ARG A 19 15.811 0.712 -0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.149 -1.755 1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.709 -1.600 0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 19 17.068 -0.793 2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.945 0.654 1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 19 14.633 1.006 2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 19 14.585 -0.545 3.405 1.00 0.00 H new ATOM 0 HE ARG A 19 15.725 1.942 4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.805 -1.582 4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.446 -1.604 6.244 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.549 1.907 6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.865 0.363 7.340 1.00 0.00 H new ATOM 285 N THR A 20 14.146 -1.679 -1.584 1.00 0.00 N ATOM 286 CA THR A 20 14.030 -2.474 -2.800 1.00 0.00 C ATOM 287 C THR A 20 13.107 -1.803 -3.811 1.00 0.00 C ATOM 288 O THR A 20 12.146 -1.122 -3.453 1.00 0.00 O ATOM 289 CB THR A 20 13.500 -3.889 -2.499 1.00 0.00 C ATOM 290 OG1 THR A 20 12.106 -3.831 -2.176 1.00 0.00 O ATOM 291 CG2 THR A 20 14.267 -4.520 -1.346 1.00 0.00 C ATOM 0 H THR A 20 13.320 -1.702 -0.985 1.00 0.00 H new ATOM 0 HA THR A 20 15.032 -2.551 -3.222 1.00 0.00 H new ATOM 0 HB THR A 20 13.642 -4.503 -3.388 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.776 -4.734 -1.988 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.875 -5.518 -1.152 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.323 -4.589 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.153 -3.905 -0.453 1.00 0.00 H new ATOM 299 N PRO A 21 13.403 -1.997 -5.104 1.00 0.00 N ATOM 300 CA PRO A 21 12.610 -1.419 -6.193 1.00 0.00 C ATOM 301 C PRO A 21 11.232 -2.061 -6.311 1.00 0.00 C ATOM 302 O PRO A 21 10.417 -1.657 -7.140 1.00 0.00 O ATOM 303 CB PRO A 21 13.448 -1.718 -7.439 1.00 0.00 C ATOM 304 CG PRO A 21 14.253 -2.918 -7.076 1.00 0.00 C ATOM 305 CD PRO A 21 14.535 -2.797 -5.604 1.00 0.00 C ATOM 0 HA PRO A 21 12.416 -0.358 -6.037 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.815 -1.913 -8.304 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.089 -0.875 -7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.706 -3.835 -7.295 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.179 -2.955 -7.649 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.581 -3.774 -5.122 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.489 -2.304 -5.417 1.00 0.00 H new ATOM 313 N ASP A 22 10.978 -3.063 -5.476 1.00 0.00 N ATOM 314 CA ASP A 22 9.697 -3.760 -5.486 1.00 0.00 C ATOM 315 C ASP A 22 8.730 -3.134 -4.485 1.00 0.00 C ATOM 316 O ASP A 22 7.528 -3.390 -4.527 1.00 0.00 O ATOM 317 CB ASP A 22 9.896 -5.241 -5.163 1.00 0.00 C ATOM 318 CG ASP A 22 10.285 -6.053 -6.383 1.00 0.00 C ATOM 319 OD1 ASP A 22 11.224 -5.640 -7.096 1.00 0.00 O ATOM 320 OD2 ASP A 22 9.650 -7.101 -6.624 1.00 0.00 O ATOM 0 H ASP A 22 11.642 -3.411 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 22 9.269 -3.668 -6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.669 -5.343 -4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.976 -5.644 -4.740 1.00 0.00 H new ATOM 325 N GLU A 23 9.266 -2.313 -3.586 1.00 0.00 N ATOM 326 CA GLU A 23 8.450 -1.653 -2.574 1.00 0.00 C ATOM 327 C GLU A 23 7.849 -0.360 -3.119 1.00 0.00 C ATOM 328 O GLU A 23 8.273 0.146 -4.159 1.00 0.00 O ATOM 329 CB GLU A 23 9.286 -1.355 -1.328 1.00 0.00 C ATOM 330 CG GLU A 23 9.743 -2.601 -0.589 1.00 0.00 C ATOM 331 CD GLU A 23 8.658 -3.186 0.294 1.00 0.00 C ATOM 332 OE1 GLU A 23 7.789 -2.416 0.754 1.00 0.00 O ATOM 333 OE2 GLU A 23 8.679 -4.413 0.527 1.00 0.00 O ATOM 0 H GLU A 23 10.260 -2.090 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 23 7.636 -2.326 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.161 -0.774 -1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.702 -0.734 -0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.062 -3.352 -1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.612 -2.358 0.022 1.00 0.00 H new ATOM 340 N LEU A 24 6.859 0.170 -2.409 1.00 0.00 N ATOM 341 CA LEU A 24 6.198 1.404 -2.820 1.00 0.00 C ATOM 342 C LEU A 24 6.558 2.552 -1.883 1.00 0.00 C ATOM 343 O LEU A 24 6.355 2.466 -0.672 1.00 0.00 O ATOM 344 CB LEU A 24 4.681 1.209 -2.847 1.00 0.00 C ATOM 345 CG LEU A 24 3.849 2.456 -3.147 1.00 0.00 C ATOM 346 CD1 LEU A 24 3.881 2.774 -4.634 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.416 2.269 -2.671 1.00 0.00 C ATOM 0 H LEU A 24 6.496 -0.235 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 24 6.543 1.656 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.446 0.451 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.369 0.812 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 24 4.283 3.297 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.283 3.665 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.910 2.952 -4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.472 1.933 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.839 3.167 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.971 1.416 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.410 2.091 -1.596 1.00 0.00 H new ATOM 359 N TYR A 25 7.091 3.628 -2.452 1.00 0.00 N ATOM 360 CA TYR A 25 7.479 4.794 -1.668 1.00 0.00 C ATOM 361 C TYR A 25 6.292 5.729 -1.457 1.00 0.00 C ATOM 362 O TYR A 25 5.592 6.086 -2.405 1.00 0.00 O ATOM 363 CB TYR A 25 8.617 5.545 -2.362 1.00 0.00 C ATOM 364 CG TYR A 25 8.734 6.992 -1.938 1.00 0.00 C ATOM 365 CD1 TYR A 25 9.439 7.346 -0.794 1.00 0.00 C ATOM 366 CD2 TYR A 25 8.140 8.004 -2.681 1.00 0.00 C ATOM 367 CE1 TYR A 25 9.549 8.666 -0.403 1.00 0.00 C ATOM 368 CE2 TYR A 25 8.245 9.327 -2.298 1.00 0.00 C ATOM 369 CZ TYR A 25 8.950 9.653 -1.158 1.00 0.00 C ATOM 370 OH TYR A 25 9.056 10.970 -0.773 1.00 0.00 O ATOM 0 H TYR A 25 7.264 3.716 -3.453 1.00 0.00 H new ATOM 0 HA TYR A 25 7.822 4.447 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.558 5.036 -2.152 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.465 5.502 -3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.909 6.576 -0.201 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.587 7.752 -3.574 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.101 8.924 0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.778 10.102 -2.888 1.00 0.00 H new ATOM 0 HH TYR A 25 8.579 11.538 -1.414 1.00 0.00 H new ATOM 380 N PHE A 26 6.072 6.123 -0.207 1.00 0.00 N ATOM 381 CA PHE A 26 4.970 7.016 0.130 1.00 0.00 C ATOM 382 C PHE A 26 5.420 8.084 1.123 1.00 0.00 C ATOM 383 O PHE A 26 6.429 7.922 1.809 1.00 0.00 O ATOM 384 CB PHE A 26 3.801 6.220 0.715 1.00 0.00 C ATOM 385 CG PHE A 26 4.227 5.156 1.685 1.00 0.00 C ATOM 386 CD1 PHE A 26 4.670 3.924 1.232 1.00 0.00 C ATOM 387 CD2 PHE A 26 4.182 5.387 3.051 1.00 0.00 C ATOM 388 CE1 PHE A 26 5.063 2.942 2.123 1.00 0.00 C ATOM 389 CE2 PHE A 26 4.573 4.410 3.946 1.00 0.00 C ATOM 390 CZ PHE A 26 5.013 3.185 3.482 1.00 0.00 C ATOM 0 H PHE A 26 6.642 5.838 0.589 1.00 0.00 H new ATOM 0 HA PHE A 26 4.643 7.510 -0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.119 6.907 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.244 5.756 -0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.709 3.728 0.171 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.837 6.342 3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.409 1.987 1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.535 4.604 5.008 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.317 2.419 4.180 1.00 0.00 H new ATOM 400 N GLU A 27 4.663 9.174 1.194 1.00 0.00 N ATOM 401 CA GLU A 27 4.985 10.269 2.101 1.00 0.00 C ATOM 402 C GLU A 27 3.977 10.342 3.245 1.00 0.00 C ATOM 403 O GLU A 27 2.833 9.913 3.105 1.00 0.00 O ATOM 404 CB GLU A 27 5.010 11.599 1.344 1.00 0.00 C ATOM 405 CG GLU A 27 5.900 11.581 0.113 1.00 0.00 C ATOM 406 CD GLU A 27 5.165 11.128 -1.133 1.00 0.00 C ATOM 407 OE1 GLU A 27 4.175 11.788 -1.511 1.00 0.00 O ATOM 408 OE2 GLU A 27 5.580 10.112 -1.730 1.00 0.00 O ATOM 0 H GLU A 27 3.823 9.322 0.635 1.00 0.00 H new ATOM 0 HA GLU A 27 5.973 10.080 2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.994 11.856 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.352 12.385 2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.305 12.579 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.747 10.918 0.292 1.00 0.00 H new ATOM 415 N GLU A 28 4.413 10.886 4.377 1.00 0.00 N ATOM 416 CA GLU A 28 3.550 11.013 5.545 1.00 0.00 C ATOM 417 C GLU A 28 2.202 11.618 5.162 1.00 0.00 C ATOM 418 O GLU A 28 2.138 12.694 4.569 1.00 0.00 O ATOM 419 CB GLU A 28 4.224 11.877 6.613 1.00 0.00 C ATOM 420 CG GLU A 28 3.339 12.159 7.816 1.00 0.00 C ATOM 421 CD GLU A 28 4.082 12.861 8.935 1.00 0.00 C ATOM 422 OE1 GLU A 28 5.036 13.609 8.637 1.00 0.00 O ATOM 423 OE2 GLU A 28 3.708 12.662 10.110 1.00 0.00 O ATOM 0 H GLU A 28 5.358 11.246 4.510 1.00 0.00 H new ATOM 0 HA GLU A 28 3.380 10.015 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.133 11.379 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.526 12.824 6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.494 12.773 7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.930 11.220 8.189 1.00 0.00 H new ATOM 430 N GLY A 29 1.126 10.916 5.506 1.00 0.00 N ATOM 431 CA GLY A 29 -0.206 11.398 5.190 1.00 0.00 C ATOM 432 C GLY A 29 -0.593 11.129 3.749 1.00 0.00 C ATOM 433 O GLY A 29 -1.067 12.024 3.050 1.00 0.00 O ATOM 0 H GLY A 29 1.153 10.023 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.928 10.921 5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.257 12.470 5.383 1.00 0.00 H new ATOM 437 N ASP A 30 -0.389 9.894 3.305 1.00 0.00 N ATOM 438 CA ASP A 30 -0.720 9.509 1.937 1.00 0.00 C ATOM 439 C ASP A 30 -1.615 8.274 1.921 1.00 0.00 C ATOM 440 O ASP A 30 -1.266 7.236 2.483 1.00 0.00 O ATOM 441 CB ASP A 30 0.556 9.240 1.138 1.00 0.00 C ATOM 442 CG ASP A 30 1.168 10.510 0.580 1.00 0.00 C ATOM 443 OD1 ASP A 30 1.290 11.494 1.340 1.00 0.00 O ATOM 444 OD2 ASP A 30 1.526 10.519 -0.616 1.00 0.00 O ATOM 0 H ASP A 30 0.004 9.142 3.872 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.262 10.334 1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.283 8.740 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.331 8.558 0.318 1.00 0.00 H new ATOM 449 N ILE A 31 -2.770 8.395 1.275 1.00 0.00 N ATOM 450 CA ILE A 31 -3.715 7.289 1.187 1.00 0.00 C ATOM 451 C ILE A 31 -3.096 6.094 0.469 1.00 0.00 C ATOM 452 O ILE A 31 -2.371 6.255 -0.514 1.00 0.00 O ATOM 453 CB ILE A 31 -5.002 7.705 0.451 1.00 0.00 C ATOM 454 CG1 ILE A 31 -5.619 8.937 1.116 1.00 0.00 C ATOM 455 CG2 ILE A 31 -5.996 6.554 0.431 1.00 0.00 C ATOM 456 CD1 ILE A 31 -6.066 8.695 2.540 1.00 0.00 C ATOM 0 H ILE A 31 -3.074 9.248 0.805 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.966 7.006 2.209 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.749 7.959 -0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.891 9.748 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.474 9.268 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.901 6.863 -0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.554 5.700 -0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.247 6.272 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.493 9.611 2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.817 7.906 2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.210 8.394 3.144 1.00 0.00 H new ATOM 468 N ILE A 32 -3.389 4.896 0.965 1.00 0.00 N ATOM 469 CA ILE A 32 -2.863 3.674 0.369 1.00 0.00 C ATOM 470 C ILE A 32 -3.923 2.578 0.338 1.00 0.00 C ATOM 471 O ILE A 32 -4.671 2.396 1.300 1.00 0.00 O ATOM 472 CB ILE A 32 -1.630 3.159 1.134 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.611 4.286 1.320 1.00 0.00 C ATOM 474 CG2 ILE A 32 -1.002 1.985 0.398 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.609 3.872 2.113 1.00 0.00 C ATOM 0 H ILE A 32 -3.987 4.746 1.777 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.569 3.922 -0.651 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.948 2.816 2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.294 4.643 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.095 5.123 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.132 1.632 0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.729 1.178 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.694 2.303 -0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.288 4.720 2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.303 3.542 3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.117 3.055 1.600 1.00 0.00 H new ATOM 487 N TYR A 33 -3.981 1.849 -0.771 1.00 0.00 N ATOM 488 CA TYR A 33 -4.949 0.771 -0.927 1.00 0.00 C ATOM 489 C TYR A 33 -4.310 -0.583 -0.632 1.00 0.00 C ATOM 490 O TYR A 33 -3.411 -1.026 -1.347 1.00 0.00 O ATOM 491 CB TYR A 33 -5.526 0.776 -2.344 1.00 0.00 C ATOM 492 CG TYR A 33 -6.767 1.629 -2.489 1.00 0.00 C ATOM 493 CD1 TYR A 33 -6.671 2.995 -2.724 1.00 0.00 C ATOM 494 CD2 TYR A 33 -8.034 1.067 -2.392 1.00 0.00 C ATOM 495 CE1 TYR A 33 -7.802 3.777 -2.856 1.00 0.00 C ATOM 496 CE2 TYR A 33 -9.170 1.842 -2.525 1.00 0.00 C ATOM 497 CZ TYR A 33 -9.049 3.196 -2.756 1.00 0.00 C ATOM 498 OH TYR A 33 -10.178 3.972 -2.889 1.00 0.00 O ATOM 0 H TYR A 33 -3.369 1.985 -1.575 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.755 0.936 -0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.765 1.136 -3.036 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.763 -0.248 -2.635 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.696 3.453 -2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -8.132 0.007 -2.210 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.710 4.838 -3.037 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.148 1.390 -2.448 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.975 3.409 -2.793 1.00 0.00 H new ATOM 508 N ILE A 34 -4.781 -1.234 0.426 1.00 0.00 N ATOM 509 CA ILE A 34 -4.257 -2.537 0.816 1.00 0.00 C ATOM 510 C ILE A 34 -5.304 -3.630 0.624 1.00 0.00 C ATOM 511 O ILE A 34 -6.287 -3.701 1.362 1.00 0.00 O ATOM 512 CB ILE A 34 -3.792 -2.541 2.284 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.758 -1.437 2.517 1.00 0.00 C ATOM 514 CG2 ILE A 34 -3.216 -3.900 2.654 1.00 0.00 C ATOM 515 CD1 ILE A 34 -1.416 -1.722 1.880 1.00 0.00 C ATOM 0 H ILE A 34 -5.524 -0.881 1.028 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.401 -2.738 0.172 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.654 -2.347 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.146 -0.498 2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.620 -1.300 3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.892 -3.887 3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.979 -4.667 2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.364 -4.121 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.733 -0.898 2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.006 -2.644 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.540 -1.830 0.802 1.00 0.00 H new ATOM 527 N THR A 35 -5.085 -4.482 -0.373 1.00 0.00 N ATOM 528 CA THR A 35 -6.008 -5.572 -0.663 1.00 0.00 C ATOM 529 C THR A 35 -5.382 -6.923 -0.337 1.00 0.00 C ATOM 530 O THR A 35 -6.054 -7.823 0.168 1.00 0.00 O ATOM 531 CB THR A 35 -6.442 -5.563 -2.141 1.00 0.00 C ATOM 532 OG1 THR A 35 -5.326 -5.882 -2.981 1.00 0.00 O ATOM 533 CG2 THR A 35 -7.005 -4.205 -2.531 1.00 0.00 C ATOM 0 H THR A 35 -4.276 -4.438 -0.993 1.00 0.00 H new ATOM 0 HA THR A 35 -6.885 -5.419 -0.034 1.00 0.00 H new ATOM 0 HB THR A 35 -7.222 -6.313 -2.273 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.610 -5.876 -3.919 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.305 -4.223 -3.579 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.871 -3.978 -1.910 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.243 -3.440 -2.384 1.00 0.00 H new ATOM 541 N ASP A 36 -4.093 -7.059 -0.627 1.00 0.00 N ATOM 542 CA ASP A 36 -3.376 -8.301 -0.363 1.00 0.00 C ATOM 543 C ASP A 36 -2.646 -8.232 0.975 1.00 0.00 C ATOM 544 O ASP A 36 -1.680 -7.486 1.128 1.00 0.00 O ATOM 545 CB ASP A 36 -2.380 -8.589 -1.487 1.00 0.00 C ATOM 546 CG ASP A 36 -2.034 -10.061 -1.591 1.00 0.00 C ATOM 547 OD1 ASP A 36 -1.515 -10.619 -0.602 1.00 0.00 O ATOM 548 OD2 ASP A 36 -2.283 -10.656 -2.661 1.00 0.00 O ATOM 0 H ASP A 36 -3.523 -6.324 -1.045 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.105 -9.110 -0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.798 -8.249 -2.435 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.469 -8.016 -1.317 1.00 0.00 H new ATOM 553 N MET A 37 -3.116 -9.016 1.940 1.00 0.00 N ATOM 554 CA MET A 37 -2.507 -9.044 3.265 1.00 0.00 C ATOM 555 C MET A 37 -1.968 -10.434 3.586 1.00 0.00 C ATOM 556 O MET A 37 -2.143 -10.937 4.696 1.00 0.00 O ATOM 557 CB MET A 37 -3.525 -8.621 4.327 1.00 0.00 C ATOM 558 CG MET A 37 -3.753 -7.120 4.387 1.00 0.00 C ATOM 559 SD MET A 37 -5.107 -6.666 5.488 1.00 0.00 S ATOM 560 CE MET A 37 -4.841 -4.901 5.642 1.00 0.00 C ATOM 0 H MET A 37 -3.916 -9.640 1.830 1.00 0.00 H new ATOM 0 HA MET A 37 -1.674 -8.341 3.270 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.475 -9.117 4.126 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.185 -8.968 5.303 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.838 -6.631 4.722 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.965 -6.748 3.384 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.300 -4.543 6.563 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.771 -4.695 5.666 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.290 -4.390 4.790 1.00 0.00 H new ATOM 570 N SER A 38 -1.312 -11.049 2.608 1.00 0.00 N ATOM 571 CA SER A 38 -0.750 -12.383 2.785 1.00 0.00 C ATOM 572 C SER A 38 0.524 -12.329 3.623 1.00 0.00 C ATOM 573 O SER A 38 0.778 -13.210 4.444 1.00 0.00 O ATOM 574 CB SER A 38 -0.454 -13.020 1.426 1.00 0.00 C ATOM 575 OG SER A 38 -1.653 -13.359 0.750 1.00 0.00 O ATOM 0 H SER A 38 -1.156 -10.645 1.684 1.00 0.00 H new ATOM 0 HA SER A 38 -1.485 -12.993 3.311 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.128 -12.329 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.154 -13.914 1.564 1.00 0.00 H new ATOM 0 HG SER A 38 -1.921 -12.617 0.168 1.00 0.00 H new ATOM 581 N ASP A 39 1.322 -11.289 3.407 1.00 0.00 N ATOM 582 CA ASP A 39 2.570 -11.118 4.142 1.00 0.00 C ATOM 583 C ASP A 39 2.476 -9.941 5.107 1.00 0.00 C ATOM 584 O ASP A 39 2.621 -8.784 4.711 1.00 0.00 O ATOM 585 CB ASP A 39 3.733 -10.905 3.171 1.00 0.00 C ATOM 586 CG ASP A 39 4.356 -12.211 2.718 1.00 0.00 C ATOM 587 OD1 ASP A 39 3.603 -13.182 2.497 1.00 0.00 O ATOM 588 OD2 ASP A 39 5.597 -12.262 2.585 1.00 0.00 O ATOM 0 H ASP A 39 1.127 -10.552 2.729 1.00 0.00 H new ATOM 0 HA ASP A 39 2.750 -12.025 4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.379 -10.353 2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.494 -10.290 3.650 1.00 0.00 H new ATOM 593 N THR A 40 2.229 -10.243 6.378 1.00 0.00 N ATOM 594 CA THR A 40 2.112 -9.211 7.401 1.00 0.00 C ATOM 595 C THR A 40 3.328 -8.291 7.394 1.00 0.00 C ATOM 596 O THR A 40 3.219 -7.102 7.694 1.00 0.00 O ATOM 597 CB THR A 40 1.956 -9.826 8.804 1.00 0.00 C ATOM 598 OG1 THR A 40 0.802 -10.673 8.843 1.00 0.00 O ATOM 599 CG2 THR A 40 1.828 -8.738 9.860 1.00 0.00 C ATOM 0 H THR A 40 2.106 -11.195 6.724 1.00 0.00 H new ATOM 0 HA THR A 40 1.219 -8.632 7.165 1.00 0.00 H new ATOM 0 HB THR A 40 2.847 -10.417 9.018 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.711 -11.061 9.738 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.719 -9.196 10.843 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.721 -8.113 9.848 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.953 -8.125 9.646 1.00 0.00 H new ATOM 607 N ASN A 41 4.484 -8.847 7.049 1.00 0.00 N ATOM 608 CA ASN A 41 5.720 -8.075 7.003 1.00 0.00 C ATOM 609 C ASN A 41 5.752 -7.171 5.775 1.00 0.00 C ATOM 610 O ASN A 41 6.239 -6.042 5.836 1.00 0.00 O ATOM 611 CB ASN A 41 6.931 -9.011 6.992 1.00 0.00 C ATOM 612 CG ASN A 41 6.967 -9.925 8.202 1.00 0.00 C ATOM 613 OD1 ASN A 41 7.073 -9.464 9.339 1.00 0.00 O ATOM 614 ND2 ASN A 41 6.878 -11.228 7.963 1.00 0.00 N ATOM 0 H ASN A 41 4.591 -9.830 6.797 1.00 0.00 H new ATOM 0 HA ASN A 41 5.761 -7.449 7.894 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.912 -9.615 6.085 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.845 -8.418 6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.896 -11.891 8.738 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.791 -11.566 7.005 1.00 0.00 H new ATOM 621 N TRP A 42 5.228 -7.674 4.664 1.00 0.00 N ATOM 622 CA TRP A 42 5.195 -6.911 3.421 1.00 0.00 C ATOM 623 C TRP A 42 3.820 -6.995 2.767 1.00 0.00 C ATOM 624 O TRP A 42 3.431 -8.044 2.253 1.00 0.00 O ATOM 625 CB TRP A 42 6.265 -7.423 2.456 1.00 0.00 C ATOM 626 CG TRP A 42 7.657 -7.025 2.847 1.00 0.00 C ATOM 627 CD1 TRP A 42 8.697 -7.861 3.136 1.00 0.00 C ATOM 628 CD2 TRP A 42 8.158 -5.692 2.993 1.00 0.00 C ATOM 629 NE1 TRP A 42 9.815 -7.128 3.453 1.00 0.00 N ATOM 630 CE2 TRP A 42 9.511 -5.795 3.372 1.00 0.00 C ATOM 631 CE3 TRP A 42 7.597 -4.422 2.838 1.00 0.00 C ATOM 632 CZ2 TRP A 42 10.307 -4.676 3.599 1.00 0.00 C ATOM 633 CZ3 TRP A 42 8.388 -3.312 3.064 1.00 0.00 C ATOM 634 CH2 TRP A 42 9.731 -3.444 3.440 1.00 0.00 C ATOM 0 H TRP A 42 4.820 -8.607 4.598 1.00 0.00 H new ATOM 0 HA TRP A 42 5.400 -5.867 3.659 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.207 -8.510 2.404 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.054 -7.044 1.456 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.648 -8.940 3.118 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.724 -7.514 3.707 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.563 -4.310 2.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 11.342 -4.776 3.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.964 -2.326 2.949 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.324 -2.557 3.608 1.00 0.00 H new ATOM 645 N TRP A 43 3.091 -5.886 2.789 1.00 0.00 N ATOM 646 CA TRP A 43 1.759 -5.836 2.197 1.00 0.00 C ATOM 647 C TRP A 43 1.820 -5.332 0.759 1.00 0.00 C ATOM 648 O TRP A 43 2.708 -4.558 0.399 1.00 0.00 O ATOM 649 CB TRP A 43 0.842 -4.936 3.027 1.00 0.00 C ATOM 650 CG TRP A 43 0.305 -5.606 4.255 1.00 0.00 C ATOM 651 CD1 TRP A 43 0.388 -6.933 4.567 1.00 0.00 C ATOM 652 CD2 TRP A 43 -0.400 -4.981 5.333 1.00 0.00 C ATOM 653 NE1 TRP A 43 -0.223 -7.171 5.775 1.00 0.00 N ATOM 654 CE2 TRP A 43 -0.714 -5.990 6.265 1.00 0.00 C ATOM 655 CE3 TRP A 43 -0.796 -3.668 5.603 1.00 0.00 C ATOM 656 CZ2 TRP A 43 -1.405 -5.724 7.445 1.00 0.00 C ATOM 657 CZ3 TRP A 43 -1.481 -3.406 6.774 1.00 0.00 C ATOM 658 CH2 TRP A 43 -1.780 -4.429 7.683 1.00 0.00 C ATOM 0 H TRP A 43 3.399 -5.009 3.210 1.00 0.00 H new ATOM 0 HA TRP A 43 1.354 -6.848 2.191 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.392 -4.042 3.321 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.008 -4.608 2.407 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.864 -7.685 3.955 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.299 -8.080 6.232 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.571 -2.872 4.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.637 -6.511 8.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.791 -2.395 6.992 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.317 -4.191 8.589 1.00 0.00 H new ATOM 669 N LYS A 44 0.872 -5.774 -0.060 1.00 0.00 N ATOM 670 CA LYS A 44 0.818 -5.367 -1.459 1.00 0.00 C ATOM 671 C LYS A 44 -0.342 -4.407 -1.701 1.00 0.00 C ATOM 672 O LYS A 44 -1.507 -4.797 -1.639 1.00 0.00 O ATOM 673 CB LYS A 44 0.676 -6.593 -2.363 1.00 0.00 C ATOM 674 CG LYS A 44 1.296 -6.410 -3.738 1.00 0.00 C ATOM 675 CD LYS A 44 1.734 -7.738 -4.334 1.00 0.00 C ATOM 676 CE LYS A 44 0.544 -8.544 -4.833 1.00 0.00 C ATOM 677 NZ LYS A 44 -0.024 -9.413 -3.766 1.00 0.00 N ATOM 0 H LYS A 44 0.130 -6.415 0.221 1.00 0.00 H new ATOM 0 HA LYS A 44 1.749 -4.853 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.141 -7.450 -1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.382 -6.828 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.576 -5.932 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.154 -5.742 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.424 -7.558 -5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.276 -8.314 -3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.227 -7.865 -5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.851 -9.160 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.053 -9.273 -3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.179 -10.409 -3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.405 -9.165 -2.851 1.00 0.00 H new ATOM 691 N GLY A 45 -0.015 -3.148 -1.979 1.00 0.00 N ATOM 692 CA GLY A 45 -1.041 -2.153 -2.227 1.00 0.00 C ATOM 693 C GLY A 45 -0.595 -1.094 -3.216 1.00 0.00 C ATOM 694 O GLY A 45 0.563 -1.073 -3.635 1.00 0.00 O ATOM 0 H GLY A 45 0.942 -2.800 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.936 -2.646 -2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.314 -1.675 -1.286 1.00 0.00 H new ATOM 698 N THR A 46 -1.516 -0.213 -3.594 1.00 0.00 N ATOM 699 CA THR A 46 -1.212 0.851 -4.543 1.00 0.00 C ATOM 700 C THR A 46 -1.577 2.217 -3.972 1.00 0.00 C ATOM 701 O THR A 46 -2.700 2.428 -3.513 1.00 0.00 O ATOM 702 CB THR A 46 -1.959 0.647 -5.874 1.00 0.00 C ATOM 703 OG1 THR A 46 -1.267 -0.311 -6.682 1.00 0.00 O ATOM 704 CG2 THR A 46 -2.084 1.960 -6.631 1.00 0.00 C ATOM 0 H THR A 46 -2.479 -0.215 -3.257 1.00 0.00 H new ATOM 0 HA THR A 46 -0.139 0.813 -4.728 1.00 0.00 H new ATOM 0 HB THR A 46 -2.960 0.278 -5.651 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.595 0.147 -7.229 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.615 1.791 -7.568 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.637 2.678 -6.025 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.090 2.354 -6.843 1.00 0.00 H new ATOM 712 N SER A 47 -0.622 3.141 -4.005 1.00 0.00 N ATOM 713 CA SER A 47 -0.843 4.486 -3.488 1.00 0.00 C ATOM 714 C SER A 47 -0.838 5.510 -4.619 1.00 0.00 C ATOM 715 O SER A 47 -1.889 5.992 -5.041 1.00 0.00 O ATOM 716 CB SER A 47 0.230 4.842 -2.457 1.00 0.00 C ATOM 717 OG SER A 47 0.051 6.160 -1.968 1.00 0.00 O ATOM 0 H SER A 47 0.312 2.983 -4.384 1.00 0.00 H new ATOM 0 HA SER A 47 -1.820 4.507 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.191 4.135 -1.628 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.218 4.750 -2.909 1.00 0.00 H new ATOM 0 HG SER A 47 -0.787 6.210 -1.462 1.00 0.00 H new ATOM 723 N LYS A 48 0.354 5.839 -5.105 1.00 0.00 N ATOM 724 CA LYS A 48 0.500 6.805 -6.188 1.00 0.00 C ATOM 725 C LYS A 48 0.684 6.097 -7.526 1.00 0.00 C ATOM 726 O LYS A 48 1.785 5.666 -7.865 1.00 0.00 O ATOM 727 CB LYS A 48 1.690 7.728 -5.919 1.00 0.00 C ATOM 728 CG LYS A 48 1.526 9.119 -6.507 1.00 0.00 C ATOM 729 CD LYS A 48 1.780 9.125 -8.005 1.00 0.00 C ATOM 730 CE LYS A 48 0.502 8.863 -8.788 1.00 0.00 C ATOM 731 NZ LYS A 48 -0.229 10.124 -9.092 1.00 0.00 N ATOM 0 H LYS A 48 1.234 5.451 -4.766 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.411 7.402 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.837 7.813 -4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.592 7.273 -6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.518 9.483 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.216 9.806 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.198 10.087 -8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.522 8.366 -8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.745 8.350 -9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.144 8.197 -8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.094 9.904 -9.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.483 10.601 -8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.378 10.749 -9.659 1.00 0.00 H new ATOM 745 N GLY A 49 -0.402 5.983 -8.285 1.00 0.00 N ATOM 746 CA GLY A 49 -0.338 5.328 -9.579 1.00 0.00 C ATOM 747 C GLY A 49 0.758 4.283 -9.646 1.00 0.00 C ATOM 748 O GLY A 49 1.469 4.183 -10.645 1.00 0.00 O ATOM 0 H GLY A 49 -1.325 6.332 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.298 4.858 -9.793 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.170 6.076 -10.354 1.00 0.00 H new ATOM 752 N ARG A 50 0.895 3.503 -8.579 1.00 0.00 N ATOM 753 CA ARG A 50 1.914 2.462 -8.519 1.00 0.00 C ATOM 754 C ARG A 50 1.434 1.277 -7.686 1.00 0.00 C ATOM 755 O ARG A 50 0.479 1.392 -6.917 1.00 0.00 O ATOM 756 CB ARG A 50 3.211 3.021 -7.931 1.00 0.00 C ATOM 757 CG ARG A 50 3.959 3.948 -8.875 1.00 0.00 C ATOM 758 CD ARG A 50 5.168 4.574 -8.199 1.00 0.00 C ATOM 759 NE ARG A 50 5.914 5.442 -9.106 1.00 0.00 N ATOM 760 CZ ARG A 50 7.150 5.866 -8.867 1.00 0.00 C ATOM 761 NH1 ARG A 50 7.776 5.503 -7.756 1.00 0.00 N ATOM 762 NH2 ARG A 50 7.763 6.654 -9.741 1.00 0.00 N ATOM 0 H ARG A 50 0.313 3.572 -7.744 1.00 0.00 H new ATOM 0 HA ARG A 50 2.103 2.116 -9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.980 3.561 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.863 2.191 -7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.281 3.391 -9.755 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.288 4.733 -9.223 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.841 5.150 -7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.825 3.787 -7.829 1.00 0.00 H new ATOM 0 HE ARG A 50 5.461 5.739 -9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.309 4.897 -7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.725 5.830 -7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.285 6.935 -10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.712 6.979 -9.557 1.00 0.00 H new ATOM 776 N THR A 51 2.101 0.139 -7.845 1.00 0.00 N ATOM 777 CA THR A 51 1.742 -1.067 -7.110 1.00 0.00 C ATOM 778 C THR A 51 2.984 -1.804 -6.621 1.00 0.00 C ATOM 779 O THR A 51 3.700 -2.422 -7.407 1.00 0.00 O ATOM 780 CB THR A 51 0.899 -2.023 -7.975 1.00 0.00 C ATOM 781 OG1 THR A 51 -0.114 -1.288 -8.671 1.00 0.00 O ATOM 782 CG2 THR A 51 0.253 -3.101 -7.118 1.00 0.00 C ATOM 0 H THR A 51 2.894 0.027 -8.477 1.00 0.00 H new ATOM 0 HA THR A 51 1.150 -0.749 -6.252 1.00 0.00 H new ATOM 0 HB THR A 51 1.560 -2.503 -8.697 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.938 -1.285 -8.141 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.337 -3.764 -7.751 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.028 -3.677 -6.612 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.396 -2.636 -6.376 1.00 0.00 H new ATOM 790 N GLY A 52 3.234 -1.734 -5.317 1.00 0.00 N ATOM 791 CA GLY A 52 4.390 -2.400 -4.746 1.00 0.00 C ATOM 792 C GLY A 52 4.171 -2.807 -3.303 1.00 0.00 C ATOM 793 O GLY A 52 3.064 -2.683 -2.776 1.00 0.00 O ATOM 0 H GLY A 52 2.656 -1.228 -4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.625 -3.285 -5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.254 -1.738 -4.806 1.00 0.00 H new ATOM 797 N LEU A 53 5.226 -3.295 -2.661 1.00 0.00 N ATOM 798 CA LEU A 53 5.144 -3.724 -1.269 1.00 0.00 C ATOM 799 C LEU A 53 5.070 -2.522 -0.332 1.00 0.00 C ATOM 800 O LEU A 53 5.554 -1.438 -0.658 1.00 0.00 O ATOM 801 CB LEU A 53 6.352 -4.591 -0.910 1.00 0.00 C ATOM 802 CG LEU A 53 6.244 -6.074 -1.268 1.00 0.00 C ATOM 803 CD1 LEU A 53 7.420 -6.849 -0.694 1.00 0.00 C ATOM 804 CD2 LEU A 53 4.928 -6.649 -0.766 1.00 0.00 C ATOM 0 H LEU A 53 6.149 -3.404 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 53 4.234 -4.312 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.230 -4.180 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.527 -4.509 0.163 1.00 0.00 H new ATOM 0 HG LEU A 53 6.268 -6.169 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.326 -7.902 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.350 -6.454 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.428 -6.747 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.868 -7.705 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.874 -6.542 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.098 -6.113 -1.226 1.00 0.00 H new ATOM 816 N ILE A 54 4.463 -2.723 0.832 1.00 0.00 N ATOM 817 CA ILE A 54 4.329 -1.657 1.817 1.00 0.00 C ATOM 818 C ILE A 54 4.445 -2.202 3.237 1.00 0.00 C ATOM 819 O ILE A 54 3.843 -3.215 3.590 1.00 0.00 O ATOM 820 CB ILE A 54 2.984 -0.921 1.671 1.00 0.00 C ATOM 821 CG1 ILE A 54 2.701 -0.619 0.198 1.00 0.00 C ATOM 822 CG2 ILE A 54 2.991 0.362 2.488 1.00 0.00 C ATOM 823 CD1 ILE A 54 1.261 -0.243 -0.076 1.00 0.00 C ATOM 0 H ILE A 54 4.056 -3.614 1.116 1.00 0.00 H new ATOM 0 HA ILE A 54 5.141 -0.954 1.632 1.00 0.00 H new ATOM 0 HB ILE A 54 2.191 -1.566 2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.349 0.194 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.960 -1.493 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.034 0.871 2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.153 0.123 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.792 1.013 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.133 -0.043 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.608 -1.064 0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.003 0.649 0.495 1.00 0.00 H new ATOM 835 N PRO A 55 5.237 -1.513 4.072 1.00 0.00 N ATOM 836 CA PRO A 55 5.450 -1.908 5.467 1.00 0.00 C ATOM 837 C PRO A 55 4.205 -1.704 6.324 1.00 0.00 C ATOM 838 O PRO A 55 3.639 -0.611 6.363 1.00 0.00 O ATOM 839 CB PRO A 55 6.576 -0.980 5.931 1.00 0.00 C ATOM 840 CG PRO A 55 6.470 0.215 5.047 1.00 0.00 C ATOM 841 CD PRO A 55 5.986 -0.295 3.718 1.00 0.00 C ATOM 0 HA PRO A 55 5.688 -2.968 5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.458 -0.708 6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.550 -1.460 5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.776 0.946 5.461 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.434 0.713 4.946 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.352 0.435 3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.815 -0.514 3.046 1.00 0.00 H new ATOM 849 N SER A 56 3.783 -2.762 7.008 1.00 0.00 N ATOM 850 CA SER A 56 2.602 -2.699 7.862 1.00 0.00 C ATOM 851 C SER A 56 2.918 -1.990 9.175 1.00 0.00 C ATOM 852 O SER A 56 2.055 -1.848 10.040 1.00 0.00 O ATOM 853 CB SER A 56 2.075 -4.108 8.143 1.00 0.00 C ATOM 854 OG SER A 56 1.428 -4.168 9.402 1.00 0.00 O ATOM 0 H SER A 56 4.241 -3.673 6.988 1.00 0.00 H new ATOM 0 HA SER A 56 1.834 -2.129 7.338 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.378 -4.402 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.900 -4.820 8.120 1.00 0.00 H new ATOM 0 HG SER A 56 1.064 -3.286 9.625 1.00 0.00 H new ATOM 860 N ASN A 57 4.163 -1.547 9.317 1.00 0.00 N ATOM 861 CA ASN A 57 4.595 -0.853 10.525 1.00 0.00 C ATOM 862 C ASN A 57 4.413 0.655 10.380 1.00 0.00 C ATOM 863 O ASN A 57 4.173 1.358 11.361 1.00 0.00 O ATOM 864 CB ASN A 57 6.060 -1.175 10.826 1.00 0.00 C ATOM 865 CG ASN A 57 6.332 -2.667 10.848 1.00 0.00 C ATOM 866 OD1 ASN A 57 5.541 -3.445 11.380 1.00 0.00 O ATOM 867 ND2 ASN A 57 7.456 -3.072 10.269 1.00 0.00 N ATOM 0 H ASN A 57 4.891 -1.656 8.611 1.00 0.00 H new ATOM 0 HA ASN A 57 3.977 -1.198 11.354 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.694 -0.704 10.075 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.333 -0.745 11.789 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.693 -4.064 10.253 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.083 -2.391 9.840 1.00 0.00 H new ATOM 874 N TYR A 58 4.529 1.144 9.151 1.00 0.00 N ATOM 875 CA TYR A 58 4.380 2.568 8.877 1.00 0.00 C ATOM 876 C TYR A 58 2.908 2.943 8.730 1.00 0.00 C ATOM 877 O TYR A 58 2.455 3.953 9.269 1.00 0.00 O ATOM 878 CB TYR A 58 5.144 2.948 7.608 1.00 0.00 C ATOM 879 CG TYR A 58 6.595 3.292 7.855 1.00 0.00 C ATOM 880 CD1 TYR A 58 7.576 2.308 7.838 1.00 0.00 C ATOM 881 CD2 TYR A 58 6.986 4.602 8.105 1.00 0.00 C ATOM 882 CE1 TYR A 58 8.903 2.617 8.065 1.00 0.00 C ATOM 883 CE2 TYR A 58 8.312 4.921 8.331 1.00 0.00 C ATOM 884 CZ TYR A 58 9.266 3.925 8.310 1.00 0.00 C ATOM 885 OH TYR A 58 10.587 4.238 8.534 1.00 0.00 O ATOM 0 H TYR A 58 4.726 0.575 8.328 1.00 0.00 H new ATOM 0 HA TYR A 58 4.795 3.120 9.721 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.091 2.121 6.901 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.652 3.800 7.139 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.296 1.283 7.644 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.241 5.384 8.123 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.652 1.839 8.051 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.599 5.944 8.523 1.00 0.00 H new ATOM 0 HH TYR A 58 10.673 5.202 8.689 1.00 0.00 H new ATOM 895 N VAL A 59 2.165 2.120 7.996 1.00 0.00 N ATOM 896 CA VAL A 59 0.744 2.362 7.778 1.00 0.00 C ATOM 897 C VAL A 59 -0.106 1.581 8.774 1.00 0.00 C ATOM 898 O VAL A 59 0.360 0.617 9.380 1.00 0.00 O ATOM 899 CB VAL A 59 0.322 1.978 6.347 1.00 0.00 C ATOM 900 CG1 VAL A 59 1.323 2.512 5.334 1.00 0.00 C ATOM 901 CG2 VAL A 59 0.179 0.469 6.222 1.00 0.00 C ATOM 0 H VAL A 59 2.524 1.280 7.542 1.00 0.00 H new ATOM 0 HA VAL A 59 0.579 3.430 7.923 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.647 2.431 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.009 2.231 4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.372 3.598 5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.307 2.090 5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.120 0.215 5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.133 -0.007 6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.579 0.116 6.922 1.00 0.00 H new ATOM 911 N ALA A 60 -1.355 2.004 8.937 1.00 0.00 N ATOM 912 CA ALA A 60 -2.271 1.342 9.857 1.00 0.00 C ATOM 913 C ALA A 60 -3.716 1.484 9.390 1.00 0.00 C ATOM 914 O ALA A 60 -4.035 2.360 8.587 1.00 0.00 O ATOM 915 CB ALA A 60 -2.111 1.909 11.260 1.00 0.00 C ATOM 0 H ALA A 60 -1.756 2.802 8.444 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.024 0.280 9.875 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.801 1.405 11.937 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.088 1.751 11.602 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.329 2.977 11.248 1.00 0.00 H new ATOM 921 N GLU A 61 -4.585 0.615 9.897 1.00 0.00 N ATOM 922 CA GLU A 61 -5.996 0.643 9.529 1.00 0.00 C ATOM 923 C GLU A 61 -6.608 2.010 9.825 1.00 0.00 C ATOM 924 O GLU A 61 -6.726 2.411 10.982 1.00 0.00 O ATOM 925 CB GLU A 61 -6.764 -0.445 10.282 1.00 0.00 C ATOM 926 CG GLU A 61 -8.220 -0.562 9.864 1.00 0.00 C ATOM 927 CD GLU A 61 -8.853 -1.864 10.313 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.214 -2.924 10.146 1.00 0.00 O ATOM 929 OE2 GLU A 61 -9.989 -1.824 10.832 1.00 0.00 O ATOM 0 H GLU A 61 -4.337 -0.117 10.563 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.070 0.455 8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.271 -1.404 10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.717 -0.237 11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.782 0.274 10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.290 -0.483 8.779 1.00 0.00 H new ATOM 936 N GLN A 62 -6.994 2.719 8.769 1.00 0.00 N ATOM 937 CA GLN A 62 -7.592 4.041 8.915 1.00 0.00 C ATOM 938 C GLN A 62 -8.839 3.980 9.790 1.00 0.00 C ATOM 939 O GLN A 62 -9.922 3.630 9.321 1.00 0.00 O ATOM 940 CB GLN A 62 -7.945 4.618 7.543 1.00 0.00 C ATOM 941 CG GLN A 62 -6.801 5.377 6.890 1.00 0.00 C ATOM 942 CD GLN A 62 -6.790 6.848 7.258 1.00 0.00 C ATOM 943 OE1 GLN A 62 -7.343 7.683 6.542 1.00 0.00 O ATOM 944 NE2 GLN A 62 -6.159 7.173 8.381 1.00 0.00 N ATOM 0 H GLN A 62 -6.903 2.401 7.804 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.863 4.691 9.398 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.254 3.806 6.885 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.800 5.286 7.648 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.854 4.925 7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.876 5.278 5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.714 6.448 8.944 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.119 8.147 8.680 1.00 0.00 H new ATOM 953 N SER A 63 -8.680 4.323 11.064 1.00 0.00 N ATOM 954 CA SER A 63 -9.792 4.304 12.007 1.00 0.00 C ATOM 955 C SER A 63 -10.432 5.684 12.120 1.00 0.00 C ATOM 956 O SER A 63 -9.938 6.553 12.838 1.00 0.00 O ATOM 957 CB SER A 63 -9.315 3.836 13.383 1.00 0.00 C ATOM 958 OG SER A 63 -8.320 4.702 13.899 1.00 0.00 O ATOM 0 H SER A 63 -7.791 4.618 11.467 1.00 0.00 H new ATOM 0 HA SER A 63 -10.540 3.605 11.633 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.160 3.797 14.071 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.918 2.824 13.309 1.00 0.00 H new ATOM 0 HG SER A 63 -8.574 5.632 13.724 1.00 0.00 H new ATOM 964 N GLY A 64 -11.537 5.878 11.406 1.00 0.00 N ATOM 965 CA GLY A 64 -12.227 7.154 11.440 1.00 0.00 C ATOM 966 C GLY A 64 -13.631 7.069 10.874 1.00 0.00 C ATOM 967 O GLY A 64 -14.131 5.989 10.556 1.00 0.00 O ATOM 0 H GLY A 64 -11.966 5.174 10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.274 7.511 12.469 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.654 7.889 10.874 1.00 0.00 H new ATOM 971 N PRO A 65 -14.292 8.229 10.743 1.00 0.00 N ATOM 972 CA PRO A 65 -15.656 8.307 10.213 1.00 0.00 C ATOM 973 C PRO A 65 -15.718 7.990 8.722 1.00 0.00 C ATOM 974 O PRO A 65 -16.658 7.350 8.252 1.00 0.00 O ATOM 975 CB PRO A 65 -16.053 9.763 10.467 1.00 0.00 C ATOM 976 CG PRO A 65 -14.761 10.505 10.512 1.00 0.00 C ATOM 977 CD PRO A 65 -13.758 9.553 11.102 1.00 0.00 C ATOM 0 HA PRO A 65 -16.319 7.582 10.685 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.699 10.141 9.675 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.602 9.866 11.403 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.458 10.822 9.514 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.849 11.406 11.120 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.762 9.711 10.687 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.676 9.674 12.182 1.00 0.00 H new ATOM 985 N SER A 66 -14.709 8.442 7.984 1.00 0.00 N ATOM 986 CA SER A 66 -14.651 8.210 6.546 1.00 0.00 C ATOM 987 C SER A 66 -14.791 6.724 6.229 1.00 0.00 C ATOM 988 O SER A 66 -13.797 6.017 6.062 1.00 0.00 O ATOM 989 CB SER A 66 -13.335 8.743 5.974 1.00 0.00 C ATOM 990 OG SER A 66 -13.264 8.531 4.575 1.00 0.00 O ATOM 0 H SER A 66 -13.921 8.971 8.358 1.00 0.00 H new ATOM 0 HA SER A 66 -15.482 8.742 6.084 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.247 9.808 6.188 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.496 8.249 6.463 1.00 0.00 H new ATOM 0 HG SER A 66 -12.415 8.882 4.234 1.00 0.00 H new ATOM 996 N SER A 67 -16.033 6.257 6.149 1.00 0.00 N ATOM 997 CA SER A 67 -16.305 4.855 5.857 1.00 0.00 C ATOM 998 C SER A 67 -15.734 4.462 4.497 1.00 0.00 C ATOM 999 O SER A 67 -15.022 3.467 4.374 1.00 0.00 O ATOM 1000 CB SER A 67 -17.811 4.588 5.887 1.00 0.00 C ATOM 1001 OG SER A 67 -18.115 3.318 5.336 1.00 0.00 O ATOM 0 H SER A 67 -16.867 6.829 6.282 1.00 0.00 H new ATOM 0 HA SER A 67 -15.821 4.250 6.623 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.172 4.638 6.914 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.332 5.365 5.328 1.00 0.00 H new ATOM 0 HG SER A 67 -19.083 3.171 5.368 1.00 0.00 H new ATOM 1007 N GLY A 68 -16.054 5.254 3.478 1.00 0.00 N ATOM 1008 CA GLY A 68 -15.566 4.974 2.140 1.00 0.00 C ATOM 1009 C GLY A 68 -15.754 3.522 1.746 1.00 0.00 C ATOM 1010 O GLY A 68 -14.797 2.748 1.730 1.00 0.00 O ATOM 0 H GLY A 68 -16.642 6.084 3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.087 5.611 1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -14.508 5.229 2.082 1.00 0.00 H new TER 1014 GLY A 68