USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 403 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 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 49 MET CE :methyl -177:sc= 0 (180deg=-0.00475) USER MOD Set 2.1: A 15 HIS : no HD1:sc= 0.481 K(o=0.62,f=-3.5!) USER MOD Set 2.2: A 20 ASN : amide:sc= 0.137 K(o=0.62,f=-1.1) USER MOD Single : A 1 SER N :NH3+ 143:sc= 0.0107 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl -123:sc= -0.0035 (180deg=-0.18) USER MOD Single : A 4 ASN : amide:sc= -0.0446 K(o=-0.045,f=-3.2!) USER MOD Single : A 5 THR OG1 : rot 72:sc= 0.254 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.386 K(o=0.39,f=-7.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0387 K(o=-0.039,f=-0.67) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -65:sc= 0.459 USER MOD Single : A 42 MET CE :methyl -175:sc= 0 (180deg=-0.013) USER MOD Single : A 44 THR OG1 : rot 99:sc= 1.27 USER MOD Single : A 46 LYS NZ :NH3+ 136:sc= 0.261 (180deg=0) USER MOD Single : A 47 MET CE :methyl 164:sc=-0.00845 (180deg=-0.416) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0518 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc=-0.00418 X(o=-0.0042,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 26.461 41.458 28.764 1.00 0.00 N ATOM 2 CA SER A 1 27.614 41.681 27.869 1.00 0.00 C ATOM 3 C SER A 1 28.393 40.391 27.662 1.00 0.00 C ATOM 4 O SER A 1 28.600 39.631 28.615 1.00 0.00 O ATOM 5 CB SER A 1 28.542 42.793 28.360 1.00 0.00 C ATOM 6 OG SER A 1 29.509 43.047 27.360 1.00 0.00 O ATOM 0 H1 SER A 1 26.330 42.289 29.375 1.00 0.00 H new ATOM 0 H2 SER A 1 25.604 41.308 28.195 1.00 0.00 H new ATOM 0 H3 SER A 1 26.636 40.619 29.353 1.00 0.00 H new ATOM 0 HA SER A 1 27.206 42.010 26.913 1.00 0.00 H new ATOM 0 HB2 SER A 1 27.971 43.697 28.572 1.00 0.00 H new ATOM 0 HB3 SER A 1 29.028 42.497 29.290 1.00 0.00 H new ATOM 0 HG SER A 1 30.111 43.760 27.660 1.00 0.00 H new ATOM 12 N MET A 2 28.815 40.149 26.417 1.00 0.00 N ATOM 13 CA MET A 2 29.459 38.913 25.947 1.00 0.00 C ATOM 14 C MET A 2 30.867 38.658 26.513 1.00 0.00 C ATOM 15 O MET A 2 31.488 39.564 27.075 1.00 0.00 O ATOM 16 CB MET A 2 29.450 38.912 24.409 1.00 0.00 C ATOM 17 CG MET A 2 30.419 39.916 23.771 1.00 0.00 C ATOM 18 SD MET A 2 31.992 39.199 23.239 1.00 0.00 S ATOM 19 CE MET A 2 31.377 38.312 21.783 1.00 0.00 C ATOM 0 H MET A 2 28.713 40.840 25.673 1.00 0.00 H new ATOM 0 HA MET A 2 28.875 38.078 26.334 1.00 0.00 H new ATOM 0 HB2 MET A 2 29.698 37.911 24.057 1.00 0.00 H new ATOM 0 HB3 MET A 2 28.440 39.130 24.063 1.00 0.00 H new ATOM 0 HG2 MET A 2 29.933 40.375 22.910 1.00 0.00 H new ATOM 0 HG3 MET A 2 30.620 40.713 24.486 1.00 0.00 H new ATOM 0 HE1 MET A 2 31.619 37.253 21.873 1.00 0.00 H new ATOM 0 HE2 MET A 2 30.296 38.433 21.713 1.00 0.00 H new ATOM 0 HE3 MET A 2 31.846 38.716 20.886 1.00 0.00 H new ATOM 29 N VAL A 3 31.373 37.432 26.345 1.00 0.00 N ATOM 30 CA VAL A 3 32.715 37.010 26.800 1.00 0.00 C ATOM 31 C VAL A 3 33.402 36.046 25.823 1.00 0.00 C ATOM 32 O VAL A 3 32.749 35.200 25.208 1.00 0.00 O ATOM 33 CB VAL A 3 32.701 36.367 28.213 1.00 0.00 C ATOM 34 CG1 VAL A 3 32.367 37.393 29.306 1.00 0.00 C ATOM 35 CG2 VAL A 3 31.746 35.165 28.330 1.00 0.00 C ATOM 0 H VAL A 3 30.856 36.685 25.880 1.00 0.00 H new ATOM 0 HA VAL A 3 33.289 37.936 26.842 1.00 0.00 H new ATOM 0 HB VAL A 3 33.716 35.998 28.363 1.00 0.00 H new ATOM 0 HG11 VAL A 3 32.368 36.901 30.279 1.00 0.00 H new ATOM 0 HG12 VAL A 3 33.114 38.187 29.300 1.00 0.00 H new ATOM 0 HG13 VAL A 3 31.382 37.820 29.116 1.00 0.00 H new ATOM 0 HG21 VAL A 3 31.787 34.765 29.343 1.00 0.00 H new ATOM 0 HG22 VAL A 3 30.728 35.486 28.107 1.00 0.00 H new ATOM 0 HG23 VAL A 3 32.046 34.392 27.623 1.00 0.00 H new ATOM 45 N ASN A 4 34.733 36.150 25.740 1.00 0.00 N ATOM 46 CA ASN A 4 35.633 35.105 25.230 1.00 0.00 C ATOM 47 C ASN A 4 36.177 34.267 26.404 1.00 0.00 C ATOM 48 O ASN A 4 36.292 34.767 27.524 1.00 0.00 O ATOM 49 CB ASN A 4 36.801 35.757 24.461 1.00 0.00 C ATOM 50 CG ASN A 4 37.587 34.811 23.550 1.00 0.00 C ATOM 51 OD1 ASN A 4 37.318 33.618 23.458 1.00 0.00 O ATOM 52 ND2 ASN A 4 38.582 35.313 22.843 1.00 0.00 N ATOM 0 H ASN A 4 35.231 36.990 26.035 1.00 0.00 H new ATOM 0 HA ASN A 4 35.081 34.452 24.554 1.00 0.00 H new ATOM 0 HB2 ASN A 4 36.407 36.574 23.857 1.00 0.00 H new ATOM 0 HB3 ASN A 4 37.490 36.197 25.182 1.00 0.00 H new ATOM 0 HD21 ASN A 4 39.123 34.709 22.224 1.00 0.00 H new ATOM 0 HD22 ASN A 4 38.810 36.305 22.916 1.00 0.00 H new ATOM 59 N THR A 5 36.563 33.013 26.151 1.00 0.00 N ATOM 60 CA THR A 5 37.286 32.152 27.098 1.00 0.00 C ATOM 61 C THR A 5 38.429 31.478 26.380 1.00 0.00 C ATOM 62 O THR A 5 38.272 30.892 25.310 1.00 0.00 O ATOM 63 CB THR A 5 36.387 31.100 27.748 1.00 0.00 C ATOM 64 OG1 THR A 5 35.786 30.250 26.809 1.00 0.00 O ATOM 65 CG2 THR A 5 35.323 31.796 28.571 1.00 0.00 C ATOM 0 H THR A 5 36.377 32.554 25.259 1.00 0.00 H new ATOM 0 HA THR A 5 37.659 32.787 27.902 1.00 0.00 H new ATOM 0 HB THR A 5 37.014 30.475 28.384 1.00 0.00 H new ATOM 0 HG1 THR A 5 36.462 29.650 26.431 1.00 0.00 H new ATOM 0 HG21 THR A 5 34.678 31.051 29.037 1.00 0.00 H new ATOM 0 HG22 THR A 5 35.798 32.400 29.344 1.00 0.00 H new ATOM 0 HG23 THR A 5 34.726 32.439 27.925 1.00 0.00 H new ATOM 73 N GLY A 6 39.573 31.480 27.045 1.00 0.00 N ATOM 74 CA GLY A 6 40.622 30.504 26.826 1.00 0.00 C ATOM 75 C GLY A 6 40.346 29.195 27.560 1.00 0.00 C ATOM 76 O GLY A 6 41.234 28.711 28.253 1.00 0.00 O ATOM 0 H GLY A 6 39.800 32.170 27.761 1.00 0.00 H new ATOM 0 HA2 GLY A 6 40.718 30.308 25.758 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.575 30.914 27.161 1.00 0.00 H new ATOM 80 N LEU A 7 39.126 28.650 27.512 1.00 0.00 N ATOM 81 CA LEU A 7 38.807 27.330 28.080 1.00 0.00 C ATOM 82 C LEU A 7 38.938 26.230 26.991 1.00 0.00 C ATOM 83 O LEU A 7 39.043 26.584 25.810 1.00 0.00 O ATOM 84 CB LEU A 7 37.442 27.382 28.801 1.00 0.00 C ATOM 85 CG LEU A 7 37.556 27.771 30.296 1.00 0.00 C ATOM 86 CD1 LEU A 7 36.169 28.151 30.835 1.00 0.00 C ATOM 87 CD2 LEU A 7 38.144 26.650 31.179 1.00 0.00 C ATOM 0 H LEU A 7 38.327 29.111 27.077 1.00 0.00 H new ATOM 0 HA LEU A 7 39.529 27.055 28.849 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.798 28.100 28.294 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.959 26.408 28.721 1.00 0.00 H new ATOM 0 HG LEU A 7 38.244 28.615 30.345 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.250 28.425 31.887 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.778 28.997 30.269 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.493 27.302 30.732 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.195 26.991 32.213 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.507 25.768 31.119 1.00 0.00 H new ATOM 0 HD23 LEU A 7 39.146 26.399 30.830 1.00 0.00 H new ATOM 99 N PRO A 8 38.979 24.925 27.343 1.00 0.00 N ATOM 100 CA PRO A 8 39.114 23.823 26.381 1.00 0.00 C ATOM 101 C PRO A 8 37.774 23.530 25.664 1.00 0.00 C ATOM 102 O PRO A 8 36.915 24.405 25.554 1.00 0.00 O ATOM 103 CB PRO A 8 39.611 22.658 27.254 1.00 0.00 C ATOM 104 CG PRO A 8 38.790 22.871 28.514 1.00 0.00 C ATOM 105 CD PRO A 8 38.991 24.370 28.698 1.00 0.00 C ATOM 0 HA PRO A 8 39.800 24.035 25.561 1.00 0.00 H new ATOM 0 HB2 PRO A 8 39.419 21.688 26.796 1.00 0.00 H new ATOM 0 HB3 PRO A 8 40.683 22.714 27.445 1.00 0.00 H new ATOM 0 HG2 PRO A 8 37.742 22.603 28.381 1.00 0.00 H new ATOM 0 HG3 PRO A 8 39.163 22.292 29.359 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.198 24.802 29.308 1.00 0.00 H new ATOM 0 HD3 PRO A 8 39.933 24.582 29.203 1.00 0.00 H new ATOM 113 N ALA A 9 37.567 22.294 25.191 1.00 0.00 N ATOM 114 CA ALA A 9 36.309 21.810 24.603 1.00 0.00 C ATOM 115 C ALA A 9 35.092 21.844 25.559 1.00 0.00 C ATOM 116 O ALA A 9 33.948 21.748 25.102 1.00 0.00 O ATOM 117 CB ALA A 9 36.560 20.380 24.105 1.00 0.00 C ATOM 0 H ALA A 9 38.294 21.579 25.207 1.00 0.00 H new ATOM 0 HA ALA A 9 36.037 22.488 23.794 1.00 0.00 H new ATOM 0 HB1 ALA A 9 35.647 19.984 23.660 1.00 0.00 H new ATOM 0 HB2 ALA A 9 37.353 20.389 23.358 1.00 0.00 H new ATOM 0 HB3 ALA A 9 36.858 19.750 24.943 1.00 0.00 H new ATOM 123 N GLY A 10 35.327 21.980 26.868 1.00 0.00 N ATOM 124 CA GLY A 10 34.325 22.165 27.918 1.00 0.00 C ATOM 125 C GLY A 10 34.369 23.588 28.454 1.00 0.00 C ATOM 126 O GLY A 10 35.013 23.846 29.471 1.00 0.00 O ATOM 0 H GLY A 10 36.276 21.963 27.242 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.332 21.950 27.523 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.505 21.459 28.729 1.00 0.00 H new ATOM 130 N TRP A 11 33.696 24.507 27.756 1.00 0.00 N ATOM 131 CA TRP A 11 33.628 25.931 28.117 1.00 0.00 C ATOM 132 C TRP A 11 32.208 26.495 28.287 1.00 0.00 C ATOM 133 O TRP A 11 32.057 27.687 28.550 1.00 0.00 O ATOM 134 CB TRP A 11 34.463 26.757 27.122 1.00 0.00 C ATOM 135 CG TRP A 11 34.014 27.023 25.709 1.00 0.00 C ATOM 136 CD1 TRP A 11 32.783 26.877 25.161 1.00 0.00 C ATOM 137 CD2 TRP A 11 34.838 27.601 24.651 1.00 0.00 C ATOM 138 NE1 TRP A 11 32.807 27.282 23.837 1.00 0.00 N ATOM 139 CE2 TRP A 11 34.039 27.777 23.485 1.00 0.00 C ATOM 140 CE3 TRP A 11 36.184 28.023 24.574 1.00 0.00 C ATOM 141 CZ2 TRP A 11 34.544 28.359 22.313 1.00 0.00 C ATOM 142 CZ3 TRP A 11 36.705 28.593 23.401 1.00 0.00 C ATOM 143 CH2 TRP A 11 35.884 28.775 22.273 1.00 0.00 C ATOM 0 H TRP A 11 33.173 24.281 26.910 1.00 0.00 H new ATOM 0 HA TRP A 11 34.056 26.014 29.116 1.00 0.00 H new ATOM 0 HB2 TRP A 11 34.626 27.730 27.585 1.00 0.00 H new ATOM 0 HB3 TRP A 11 35.436 26.270 27.053 1.00 0.00 H new ATOM 0 HD1 TRP A 11 31.913 26.501 25.679 1.00 0.00 H new ATOM 0 HE1 TRP A 11 32.010 27.220 23.203 1.00 0.00 H new ATOM 0 HE3 TRP A 11 36.825 27.905 25.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 33.908 28.486 21.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 37.742 28.893 23.365 1.00 0.00 H new ATOM 0 HH2 TRP A 11 36.283 29.233 21.380 1.00 0.00 H new ATOM 154 N GLU A 12 31.167 25.679 28.110 1.00 0.00 N ATOM 155 CA GLU A 12 29.779 26.146 28.090 1.00 0.00 C ATOM 156 C GLU A 12 29.258 26.345 29.525 1.00 0.00 C ATOM 157 O GLU A 12 28.946 25.369 30.202 1.00 0.00 O ATOM 158 CB GLU A 12 28.943 25.132 27.286 1.00 0.00 C ATOM 159 CG GLU A 12 27.534 25.632 26.949 1.00 0.00 C ATOM 160 CD GLU A 12 27.588 26.869 26.057 1.00 0.00 C ATOM 161 OE1 GLU A 12 28.085 26.776 24.913 1.00 0.00 O ATOM 162 OE2 GLU A 12 27.151 27.952 26.509 1.00 0.00 O ATOM 0 H GLU A 12 31.263 24.672 27.976 1.00 0.00 H new ATOM 0 HA GLU A 12 29.703 27.119 27.604 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.467 24.894 26.360 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.865 24.205 27.855 1.00 0.00 H new ATOM 0 HG2 GLU A 12 26.975 24.842 26.447 1.00 0.00 H new ATOM 0 HG3 GLU A 12 26.998 25.866 27.869 1.00 0.00 H new ATOM 169 N VAL A 13 29.181 27.589 30.012 1.00 0.00 N ATOM 170 CA VAL A 13 28.853 27.875 31.426 1.00 0.00 C ATOM 171 C VAL A 13 27.417 27.461 31.762 1.00 0.00 C ATOM 172 O VAL A 13 26.473 27.846 31.066 1.00 0.00 O ATOM 173 CB VAL A 13 29.063 29.365 31.779 1.00 0.00 C ATOM 174 CG1 VAL A 13 28.576 29.760 33.184 1.00 0.00 C ATOM 175 CG2 VAL A 13 30.555 29.729 31.682 1.00 0.00 C ATOM 0 H VAL A 13 29.342 28.424 29.448 1.00 0.00 H new ATOM 0 HA VAL A 13 29.541 27.282 32.028 1.00 0.00 H new ATOM 0 HB VAL A 13 28.461 29.913 31.055 1.00 0.00 H new ATOM 0 HG11 VAL A 13 28.762 30.821 33.348 1.00 0.00 H new ATOM 0 HG12 VAL A 13 27.508 29.561 33.268 1.00 0.00 H new ATOM 0 HG13 VAL A 13 29.113 29.178 33.932 1.00 0.00 H new ATOM 0 HG21 VAL A 13 30.690 30.781 31.933 1.00 0.00 H new ATOM 0 HG22 VAL A 13 31.126 29.114 32.378 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.908 29.550 30.666 1.00 0.00 H new ATOM 185 N ARG A 14 27.268 26.726 32.868 1.00 0.00 N ATOM 186 CA ARG A 14 25.999 26.331 33.483 1.00 0.00 C ATOM 187 C ARG A 14 26.045 26.642 34.990 1.00 0.00 C ATOM 188 O ARG A 14 26.868 26.089 35.715 1.00 0.00 O ATOM 189 CB ARG A 14 25.809 24.814 33.308 1.00 0.00 C ATOM 190 CG ARG A 14 25.602 24.278 31.879 1.00 0.00 C ATOM 191 CD ARG A 14 24.128 24.048 31.515 1.00 0.00 C ATOM 192 NE ARG A 14 23.997 23.117 30.379 1.00 0.00 N ATOM 193 CZ ARG A 14 23.930 23.400 29.084 1.00 0.00 C ATOM 194 NH1 ARG A 14 23.931 24.631 28.619 1.00 0.00 N ATOM 195 NH2 ARG A 14 23.859 22.396 28.244 1.00 0.00 N ATOM 0 H ARG A 14 28.073 26.372 33.385 1.00 0.00 H new ATOM 0 HA ARG A 14 25.181 26.875 33.012 1.00 0.00 H new ATOM 0 HB2 ARG A 14 26.682 24.316 33.730 1.00 0.00 H new ATOM 0 HB3 ARG A 14 24.950 24.512 33.907 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.037 24.982 31.170 1.00 0.00 H new ATOM 0 HG3 ARG A 14 26.145 23.339 31.770 1.00 0.00 H new ATOM 0 HD2 ARG A 14 23.596 23.649 32.378 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.660 25.000 31.264 1.00 0.00 H new ATOM 0 HE ARG A 14 23.952 22.127 30.620 1.00 0.00 H new ATOM 0 HH11 ARG A 14 23.985 25.420 29.264 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.878 24.797 27.614 1.00 0.00 H new ATOM 0 HH21 ARG A 14 23.857 21.438 28.594 1.00 0.00 H new ATOM 0 HH22 ARG A 14 23.806 22.573 27.241 1.00 0.00 H new ATOM 209 N HIS A 15 25.137 27.477 35.498 1.00 0.00 N ATOM 210 CA HIS A 15 25.142 27.905 36.914 1.00 0.00 C ATOM 211 C HIS A 15 24.282 27.023 37.858 1.00 0.00 C ATOM 212 O HIS A 15 23.954 27.417 38.977 1.00 0.00 O ATOM 213 CB HIS A 15 24.799 29.401 36.991 1.00 0.00 C ATOM 214 CG HIS A 15 25.443 30.101 38.160 1.00 0.00 C ATOM 215 ND1 HIS A 15 26.762 30.563 38.183 1.00 0.00 N ATOM 216 CD2 HIS A 15 24.847 30.410 39.348 1.00 0.00 C ATOM 217 CE1 HIS A 15 26.925 31.127 39.389 1.00 0.00 C ATOM 218 NE2 HIS A 15 25.795 31.049 40.113 1.00 0.00 N ATOM 0 H HIS A 15 24.377 27.879 34.949 1.00 0.00 H new ATOM 0 HA HIS A 15 26.150 27.755 37.300 1.00 0.00 H new ATOM 0 HB2 HIS A 15 25.114 29.887 36.067 1.00 0.00 H new ATOM 0 HB3 HIS A 15 23.717 29.516 37.059 1.00 0.00 H new ATOM 0 HD2 HIS A 15 23.828 30.194 39.633 1.00 0.00 H new ATOM 0 HE1 HIS A 15 27.842 31.583 39.733 1.00 0.00 H new ATOM 0 HE2 HIS A 15 25.664 31.401 41.061 1.00 0.00 H new ATOM 226 N SER A 16 23.865 25.838 37.407 1.00 0.00 N ATOM 227 CA SER A 16 23.036 24.897 38.178 1.00 0.00 C ATOM 228 C SER A 16 23.856 24.221 39.289 1.00 0.00 C ATOM 229 O SER A 16 24.697 23.363 39.013 1.00 0.00 O ATOM 230 CB SER A 16 22.416 23.836 37.255 1.00 0.00 C ATOM 231 OG SER A 16 21.999 24.382 36.013 1.00 0.00 O ATOM 0 H SER A 16 24.097 25.494 36.475 1.00 0.00 H new ATOM 0 HA SER A 16 22.232 25.466 38.644 1.00 0.00 H new ATOM 0 HB2 SER A 16 23.143 23.044 37.076 1.00 0.00 H new ATOM 0 HB3 SER A 16 21.562 23.378 37.754 1.00 0.00 H new ATOM 0 HG SER A 16 21.613 23.673 35.457 1.00 0.00 H new ATOM 237 N ASN A 17 23.599 24.619 40.538 1.00 0.00 N ATOM 238 CA ASN A 17 24.303 24.275 41.768 1.00 0.00 C ATOM 239 C ASN A 17 23.673 25.109 42.900 1.00 0.00 C ATOM 240 O ASN A 17 23.414 26.304 42.748 1.00 0.00 O ATOM 241 CB ASN A 17 25.832 24.509 41.668 1.00 0.00 C ATOM 242 CG ASN A 17 26.620 23.897 42.828 1.00 0.00 C ATOM 243 OD1 ASN A 17 26.078 23.515 43.857 1.00 0.00 O ATOM 244 ND2 ASN A 17 27.917 23.727 42.685 1.00 0.00 N ATOM 0 H ASN A 17 22.819 25.249 40.727 1.00 0.00 H new ATOM 0 HA ASN A 17 24.194 23.209 41.967 1.00 0.00 H new ATOM 0 HB2 ASN A 17 26.195 24.088 40.730 1.00 0.00 H new ATOM 0 HB3 ASN A 17 26.026 25.581 41.633 1.00 0.00 H new ATOM 0 HD21 ASN A 17 28.458 23.282 43.426 1.00 0.00 H new ATOM 0 HD22 ASN A 17 28.382 24.040 41.833 1.00 0.00 H new ATOM 251 N SER A 18 23.416 24.484 44.039 1.00 0.00 N ATOM 252 CA SER A 18 23.042 25.144 45.301 1.00 0.00 C ATOM 253 C SER A 18 24.100 26.139 45.806 1.00 0.00 C ATOM 254 O SER A 18 23.785 27.058 46.565 1.00 0.00 O ATOM 255 CB SER A 18 22.865 24.071 46.381 1.00 0.00 C ATOM 256 OG SER A 18 21.900 23.103 46.013 1.00 0.00 O ATOM 0 H SER A 18 23.461 23.468 44.123 1.00 0.00 H new ATOM 0 HA SER A 18 22.125 25.700 45.106 1.00 0.00 H new ATOM 0 HB2 SER A 18 23.820 23.579 46.564 1.00 0.00 H new ATOM 0 HB3 SER A 18 22.566 24.544 47.316 1.00 0.00 H new ATOM 0 HG SER A 18 21.817 22.436 46.726 1.00 0.00 H new ATOM 262 N LYS A 19 25.365 25.950 45.416 1.00 0.00 N ATOM 263 CA LYS A 19 26.494 26.811 45.772 1.00 0.00 C ATOM 264 C LYS A 19 26.875 27.722 44.586 1.00 0.00 C ATOM 265 O LYS A 19 26.807 27.309 43.431 1.00 0.00 O ATOM 266 CB LYS A 19 27.664 25.942 46.275 1.00 0.00 C ATOM 267 CG LYS A 19 27.288 24.823 47.269 1.00 0.00 C ATOM 268 CD LYS A 19 26.497 25.304 48.498 1.00 0.00 C ATOM 269 CE LYS A 19 25.989 24.093 49.289 1.00 0.00 C ATOM 270 NZ LYS A 19 24.971 24.479 50.293 1.00 0.00 N ATOM 0 H LYS A 19 25.639 25.166 44.824 1.00 0.00 H new ATOM 0 HA LYS A 19 26.215 27.479 46.587 1.00 0.00 H new ATOM 0 HB2 LYS A 19 28.152 25.488 45.413 1.00 0.00 H new ATOM 0 HB3 LYS A 19 28.398 26.593 46.750 1.00 0.00 H new ATOM 0 HG2 LYS A 19 26.699 24.071 46.745 1.00 0.00 H new ATOM 0 HG3 LYS A 19 28.201 24.333 47.608 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.131 25.925 49.131 1.00 0.00 H new ATOM 0 HD3 LYS A 19 25.657 25.924 48.183 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.563 23.363 48.601 1.00 0.00 H new ATOM 0 HE3 LYS A 19 26.827 23.608 49.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 24.652 23.633 50.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 25.385 25.157 50.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 24.160 24.919 49.813 1.00 0.00 H new ATOM 284 N ASN A 20 27.230 28.983 44.845 1.00 0.00 N ATOM 285 CA ASN A 20 27.100 30.084 43.871 1.00 0.00 C ATOM 286 C ASN A 20 28.197 30.181 42.772 1.00 0.00 C ATOM 287 O ASN A 20 28.423 31.262 42.218 1.00 0.00 O ATOM 288 CB ASN A 20 26.928 31.396 44.663 1.00 0.00 C ATOM 289 CG ASN A 20 26.386 32.555 43.829 1.00 0.00 C ATOM 290 OD1 ASN A 20 25.698 32.380 42.827 1.00 0.00 O ATOM 291 ND2 ASN A 20 26.687 33.778 44.220 1.00 0.00 N ATOM 0 H ASN A 20 27.619 29.277 45.741 1.00 0.00 H new ATOM 0 HA ASN A 20 26.219 29.868 43.267 1.00 0.00 H new ATOM 0 HB2 ASN A 20 26.254 31.218 45.501 1.00 0.00 H new ATOM 0 HB3 ASN A 20 27.891 31.684 45.084 1.00 0.00 H new ATOM 0 HD21 ASN A 20 26.348 34.581 43.690 1.00 0.00 H new ATOM 0 HD22 ASN A 20 27.259 33.921 45.053 1.00 0.00 H new ATOM 298 N LEU A 21 28.875 29.076 42.432 1.00 0.00 N ATOM 299 CA LEU A 21 29.813 28.977 41.301 1.00 0.00 C ATOM 300 C LEU A 21 29.243 28.051 40.205 1.00 0.00 C ATOM 301 O LEU A 21 28.608 27.044 40.535 1.00 0.00 O ATOM 302 CB LEU A 21 31.181 28.440 41.779 1.00 0.00 C ATOM 303 CG LEU A 21 32.247 29.487 42.166 1.00 0.00 C ATOM 304 CD1 LEU A 21 32.759 30.293 40.965 1.00 0.00 C ATOM 305 CD2 LEU A 21 31.778 30.440 43.273 1.00 0.00 C ATOM 0 H LEU A 21 28.785 28.201 42.949 1.00 0.00 H new ATOM 0 HA LEU A 21 29.950 29.975 40.884 1.00 0.00 H new ATOM 0 HB2 LEU A 21 31.010 27.796 42.641 1.00 0.00 H new ATOM 0 HB3 LEU A 21 31.593 27.812 40.989 1.00 0.00 H new ATOM 0 HG LEU A 21 33.078 28.900 42.557 1.00 0.00 H new ATOM 0 HD11 LEU A 21 33.506 31.012 41.301 1.00 0.00 H new ATOM 0 HD12 LEU A 21 33.208 29.617 40.238 1.00 0.00 H new ATOM 0 HD13 LEU A 21 31.927 30.823 40.502 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.571 31.152 43.500 1.00 0.00 H new ATOM 0 HD22 LEU A 21 30.892 30.979 42.938 1.00 0.00 H new ATOM 0 HD23 LEU A 21 31.537 29.867 44.168 1.00 0.00 H new ATOM 317 N PRO A 22 29.512 28.328 38.916 1.00 0.00 N ATOM 318 CA PRO A 22 29.095 27.482 37.806 1.00 0.00 C ATOM 319 C PRO A 22 29.973 26.235 37.667 1.00 0.00 C ATOM 320 O PRO A 22 31.063 26.145 38.232 1.00 0.00 O ATOM 321 CB PRO A 22 29.218 28.368 36.563 1.00 0.00 C ATOM 322 CG PRO A 22 30.410 29.261 36.907 1.00 0.00 C ATOM 323 CD PRO A 22 30.261 29.472 38.416 1.00 0.00 C ATOM 0 HA PRO A 22 28.082 27.110 37.957 1.00 0.00 H new ATOM 0 HB2 PRO A 22 29.398 27.781 35.663 1.00 0.00 H new ATOM 0 HB3 PRO A 22 28.313 28.950 36.388 1.00 0.00 H new ATOM 0 HG2 PRO A 22 31.357 28.782 36.658 1.00 0.00 H new ATOM 0 HG3 PRO A 22 30.377 30.205 36.363 1.00 0.00 H new ATOM 0 HD2 PRO A 22 31.237 29.539 38.898 1.00 0.00 H new ATOM 0 HD3 PRO A 22 29.736 30.403 38.629 1.00 0.00 H new ATOM 331 N TYR A 23 29.491 25.287 36.862 1.00 0.00 N ATOM 332 CA TYR A 23 30.332 24.322 36.145 1.00 0.00 C ATOM 333 C TYR A 23 30.367 24.657 34.640 1.00 0.00 C ATOM 334 O TYR A 23 29.478 25.332 34.119 1.00 0.00 O ATOM 335 CB TYR A 23 29.830 22.888 36.394 1.00 0.00 C ATOM 336 CG TYR A 23 28.491 22.528 35.768 1.00 0.00 C ATOM 337 CD1 TYR A 23 27.290 22.771 36.462 1.00 0.00 C ATOM 338 CD2 TYR A 23 28.443 21.910 34.501 1.00 0.00 C ATOM 339 CE1 TYR A 23 26.051 22.407 35.899 1.00 0.00 C ATOM 340 CE2 TYR A 23 27.208 21.545 33.931 1.00 0.00 C ATOM 341 CZ TYR A 23 26.005 21.793 34.628 1.00 0.00 C ATOM 342 OH TYR A 23 24.815 21.449 34.059 1.00 0.00 O ATOM 0 H TYR A 23 28.494 25.165 36.686 1.00 0.00 H new ATOM 0 HA TYR A 23 31.352 24.388 36.524 1.00 0.00 H new ATOM 0 HB2 TYR A 23 30.581 22.192 36.020 1.00 0.00 H new ATOM 0 HB3 TYR A 23 29.758 22.732 37.470 1.00 0.00 H new ATOM 0 HD1 TYR A 23 27.319 23.240 37.434 1.00 0.00 H new ATOM 0 HD2 TYR A 23 29.360 21.715 33.964 1.00 0.00 H new ATOM 0 HE1 TYR A 23 25.136 22.598 36.440 1.00 0.00 H new ATOM 0 HE2 TYR A 23 27.181 21.075 32.959 1.00 0.00 H new ATOM 0 HH TYR A 23 24.977 21.039 33.184 1.00 0.00 H new ATOM 352 N TYR A 24 31.380 24.173 33.923 1.00 0.00 N ATOM 353 CA TYR A 24 31.462 24.259 32.462 1.00 0.00 C ATOM 354 C TYR A 24 31.053 22.900 31.868 1.00 0.00 C ATOM 355 O TYR A 24 31.603 21.856 32.235 1.00 0.00 O ATOM 356 CB TYR A 24 32.877 24.658 31.993 1.00 0.00 C ATOM 357 CG TYR A 24 33.707 25.554 32.907 1.00 0.00 C ATOM 358 CD1 TYR A 24 33.140 26.671 33.554 1.00 0.00 C ATOM 359 CD2 TYR A 24 35.070 25.256 33.112 1.00 0.00 C ATOM 360 CE1 TYR A 24 33.910 27.445 34.444 1.00 0.00 C ATOM 361 CE2 TYR A 24 35.849 26.028 33.992 1.00 0.00 C ATOM 362 CZ TYR A 24 35.265 27.117 34.675 1.00 0.00 C ATOM 363 OH TYR A 24 36.010 27.844 35.551 1.00 0.00 O ATOM 0 H TYR A 24 32.180 23.702 34.345 1.00 0.00 H new ATOM 0 HA TYR A 24 30.784 25.038 32.113 1.00 0.00 H new ATOM 0 HB2 TYR A 24 33.442 23.742 31.820 1.00 0.00 H new ATOM 0 HB3 TYR A 24 32.781 25.160 31.030 1.00 0.00 H new ATOM 0 HD1 TYR A 24 32.110 26.935 33.366 1.00 0.00 H new ATOM 0 HD2 TYR A 24 35.520 24.426 32.588 1.00 0.00 H new ATOM 0 HE1 TYR A 24 33.465 28.289 34.950 1.00 0.00 H new ATOM 0 HE2 TYR A 24 36.891 25.789 34.145 1.00 0.00 H new ATOM 0 HH TYR A 24 36.919 27.480 35.588 1.00 0.00 H new ATOM 373 N PHE A 25 30.075 22.889 30.966 1.00 0.00 N ATOM 374 CA PHE A 25 29.623 21.681 30.285 1.00 0.00 C ATOM 375 C PHE A 25 30.510 21.355 29.076 1.00 0.00 C ATOM 376 O PHE A 25 30.937 22.250 28.343 1.00 0.00 O ATOM 377 CB PHE A 25 28.144 21.852 29.908 1.00 0.00 C ATOM 378 CG PHE A 25 27.560 20.750 29.045 1.00 0.00 C ATOM 379 CD1 PHE A 25 27.679 19.403 29.437 1.00 0.00 C ATOM 380 CD2 PHE A 25 26.907 21.064 27.837 1.00 0.00 C ATOM 381 CE1 PHE A 25 27.171 18.385 28.616 1.00 0.00 C ATOM 382 CE2 PHE A 25 26.333 20.047 27.058 1.00 0.00 C ATOM 383 CZ PHE A 25 26.473 18.702 27.440 1.00 0.00 C ATOM 0 H PHE A 25 29.569 23.729 30.685 1.00 0.00 H new ATOM 0 HA PHE A 25 29.711 20.824 30.953 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.559 21.921 30.825 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.028 22.801 29.384 1.00 0.00 H new ATOM 0 HD1 PHE A 25 28.162 19.153 30.370 1.00 0.00 H new ATOM 0 HD2 PHE A 25 26.848 22.091 27.509 1.00 0.00 H new ATOM 0 HE1 PHE A 25 27.318 17.351 28.891 1.00 0.00 H new ATOM 0 HE2 PHE A 25 25.783 20.299 26.163 1.00 0.00 H new ATOM 0 HZ PHE A 25 26.046 17.917 26.833 1.00 0.00 H new ATOM 393 N ASN A 26 30.744 20.057 28.864 1.00 0.00 N ATOM 394 CA ASN A 26 31.393 19.482 27.690 1.00 0.00 C ATOM 395 C ASN A 26 30.328 18.997 26.677 1.00 0.00 C ATOM 396 O ASN A 26 29.890 17.849 26.784 1.00 0.00 O ATOM 397 CB ASN A 26 32.298 18.322 28.148 1.00 0.00 C ATOM 398 CG ASN A 26 33.583 18.810 28.804 1.00 0.00 C ATOM 399 OD1 ASN A 26 33.594 19.284 29.933 1.00 0.00 O ATOM 400 ND2 ASN A 26 34.690 18.729 28.087 1.00 0.00 N ATOM 0 H ASN A 26 30.471 19.346 29.542 1.00 0.00 H new ATOM 0 HA ASN A 26 32.003 20.234 27.190 1.00 0.00 H new ATOM 0 HB2 ASN A 26 31.751 17.694 28.851 1.00 0.00 H new ATOM 0 HB3 ASN A 26 32.546 17.698 27.289 1.00 0.00 H new ATOM 0 HD21 ASN A 26 35.573 19.064 28.472 1.00 0.00 H new ATOM 0 HD22 ASN A 26 34.662 18.331 27.148 1.00 0.00 H new ATOM 407 N PRO A 27 29.900 19.816 25.690 1.00 0.00 N ATOM 408 CA PRO A 27 28.851 19.456 24.733 1.00 0.00 C ATOM 409 C PRO A 27 29.074 18.152 23.956 1.00 0.00 C ATOM 410 O PRO A 27 28.099 17.575 23.474 1.00 0.00 O ATOM 411 CB PRO A 27 28.711 20.640 23.771 1.00 0.00 C ATOM 412 CG PRO A 27 29.937 21.510 24.034 1.00 0.00 C ATOM 413 CD PRO A 27 30.285 21.203 25.483 1.00 0.00 C ATOM 0 HA PRO A 27 27.942 19.257 25.301 1.00 0.00 H new ATOM 0 HB2 PRO A 27 28.680 20.305 22.734 1.00 0.00 H new ATOM 0 HB3 PRO A 27 27.789 21.191 23.955 1.00 0.00 H new ATOM 0 HG2 PRO A 27 30.758 21.260 23.362 1.00 0.00 H new ATOM 0 HG3 PRO A 27 29.717 22.568 23.889 1.00 0.00 H new ATOM 0 HD2 PRO A 27 31.349 21.347 25.670 1.00 0.00 H new ATOM 0 HD3 PRO A 27 29.749 21.865 26.164 1.00 0.00 H new ATOM 421 N ALA A 28 30.318 17.680 23.822 1.00 0.00 N ATOM 422 CA ALA A 28 30.650 16.452 23.099 1.00 0.00 C ATOM 423 C ALA A 28 30.757 15.177 23.970 1.00 0.00 C ATOM 424 O ALA A 28 30.985 14.095 23.413 1.00 0.00 O ATOM 425 CB ALA A 28 31.955 16.718 22.342 1.00 0.00 C ATOM 0 H ALA A 28 31.133 18.148 24.219 1.00 0.00 H new ATOM 0 HA ALA A 28 29.822 16.226 22.427 1.00 0.00 H new ATOM 0 HB1 ALA A 28 32.242 15.825 21.786 1.00 0.00 H new ATOM 0 HB2 ALA A 28 31.811 17.546 21.648 1.00 0.00 H new ATOM 0 HB3 ALA A 28 32.742 16.972 23.052 1.00 0.00 H new ATOM 431 N THR A 29 30.645 15.272 25.308 1.00 0.00 N ATOM 432 CA THR A 29 31.051 14.208 26.259 1.00 0.00 C ATOM 433 C THR A 29 30.095 14.141 27.452 1.00 0.00 C ATOM 434 O THR A 29 29.569 15.164 27.882 1.00 0.00 O ATOM 435 CB THR A 29 32.484 14.477 26.762 1.00 0.00 C ATOM 436 OG1 THR A 29 33.342 14.789 25.686 1.00 0.00 O ATOM 437 CG2 THR A 29 33.107 13.286 27.493 1.00 0.00 C ATOM 0 H THR A 29 30.266 16.099 25.770 1.00 0.00 H new ATOM 0 HA THR A 29 31.016 13.253 25.735 1.00 0.00 H new ATOM 0 HB THR A 29 32.386 15.310 27.458 1.00 0.00 H new ATOM 0 HG1 THR A 29 34.245 14.958 26.026 1.00 0.00 H new ATOM 0 HG21 THR A 29 34.114 13.546 27.819 1.00 0.00 H new ATOM 0 HG22 THR A 29 32.498 13.033 28.361 1.00 0.00 H new ATOM 0 HG23 THR A 29 33.153 12.430 26.820 1.00 0.00 H new ATOM 445 N ARG A 30 29.889 12.958 28.043 1.00 0.00 N ATOM 446 CA ARG A 30 29.143 12.812 29.309 1.00 0.00 C ATOM 447 C ARG A 30 30.073 13.065 30.511 1.00 0.00 C ATOM 448 O ARG A 30 30.424 12.136 31.245 1.00 0.00 O ATOM 449 CB ARG A 30 28.424 11.449 29.367 1.00 0.00 C ATOM 450 CG ARG A 30 27.318 11.317 28.304 1.00 0.00 C ATOM 451 CD ARG A 30 26.812 9.879 28.128 1.00 0.00 C ATOM 452 NE ARG A 30 26.196 9.320 29.343 1.00 0.00 N ATOM 453 CZ ARG A 30 25.431 8.235 29.399 1.00 0.00 C ATOM 454 NH1 ARG A 30 25.276 7.437 28.364 1.00 0.00 N ATOM 455 NH2 ARG A 30 24.809 7.935 30.518 1.00 0.00 N ATOM 0 H ARG A 30 30.231 12.075 27.663 1.00 0.00 H new ATOM 0 HA ARG A 30 28.360 13.569 29.357 1.00 0.00 H new ATOM 0 HB2 ARG A 30 29.154 10.651 29.228 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.989 11.314 30.357 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.481 11.958 28.580 1.00 0.00 H new ATOM 0 HG3 ARG A 30 27.697 11.681 27.349 1.00 0.00 H new ATOM 0 HD2 ARG A 30 26.084 9.855 27.317 1.00 0.00 H new ATOM 0 HD3 ARG A 30 27.645 9.243 27.827 1.00 0.00 H new ATOM 0 HE ARG A 30 26.372 9.810 30.220 1.00 0.00 H new ATOM 0 HH11 ARG A 30 25.751 7.644 27.485 1.00 0.00 H new ATOM 0 HH12 ARG A 30 24.681 6.612 28.441 1.00 0.00 H new ATOM 0 HH21 ARG A 30 24.915 8.534 31.337 1.00 0.00 H new ATOM 0 HH22 ARG A 30 24.220 7.103 30.567 1.00 0.00 H new ATOM 469 N GLU A 31 30.519 14.314 30.663 1.00 0.00 N ATOM 470 CA GLU A 31 31.470 14.792 31.680 1.00 0.00 C ATOM 471 C GLU A 31 31.325 16.322 31.854 1.00 0.00 C ATOM 472 O GLU A 31 30.634 16.974 31.068 1.00 0.00 O ATOM 473 CB GLU A 31 32.900 14.364 31.270 1.00 0.00 C ATOM 474 CG GLU A 31 34.048 14.695 32.239 1.00 0.00 C ATOM 475 CD GLU A 31 33.869 14.114 33.641 1.00 0.00 C ATOM 476 OE1 GLU A 31 32.965 14.563 34.379 1.00 0.00 O ATOM 477 OE2 GLU A 31 34.673 13.242 34.054 1.00 0.00 O ATOM 0 H GLU A 31 30.211 15.065 30.046 1.00 0.00 H new ATOM 0 HA GLU A 31 31.258 14.345 32.651 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.895 13.286 31.111 1.00 0.00 H new ATOM 0 HB3 GLU A 31 33.127 14.827 30.310 1.00 0.00 H new ATOM 0 HG2 GLU A 31 34.982 14.322 31.819 1.00 0.00 H new ATOM 0 HG3 GLU A 31 34.143 15.778 32.316 1.00 0.00 H new ATOM 484 N SER A 32 31.938 16.912 32.878 1.00 0.00 N ATOM 485 CA SER A 32 32.013 18.371 33.073 1.00 0.00 C ATOM 486 C SER A 32 33.379 18.848 33.604 1.00 0.00 C ATOM 487 O SER A 32 34.157 18.072 34.172 1.00 0.00 O ATOM 488 CB SER A 32 30.890 18.837 34.017 1.00 0.00 C ATOM 489 OG SER A 32 31.072 18.321 35.325 1.00 0.00 O ATOM 0 H SER A 32 32.408 16.385 33.614 1.00 0.00 H new ATOM 0 HA SER A 32 31.887 18.821 32.088 1.00 0.00 H new ATOM 0 HB2 SER A 32 30.870 19.926 34.053 1.00 0.00 H new ATOM 0 HB3 SER A 32 29.925 18.513 33.626 1.00 0.00 H new ATOM 0 HG SER A 32 30.346 18.634 35.904 1.00 0.00 H new ATOM 495 N ARG A 33 33.658 20.148 33.438 1.00 0.00 N ATOM 496 CA ARG A 33 34.873 20.844 33.880 1.00 0.00 C ATOM 497 C ARG A 33 34.511 21.976 34.865 1.00 0.00 C ATOM 498 O ARG A 33 33.375 22.442 34.904 1.00 0.00 O ATOM 499 CB ARG A 33 35.608 21.347 32.621 1.00 0.00 C ATOM 500 CG ARG A 33 37.083 21.745 32.818 1.00 0.00 C ATOM 501 CD ARG A 33 38.009 20.575 33.179 1.00 0.00 C ATOM 502 NE ARG A 33 38.046 19.522 32.146 1.00 0.00 N ATOM 503 CZ ARG A 33 37.707 18.244 32.283 1.00 0.00 C ATOM 504 NH1 ARG A 33 37.026 17.785 33.310 1.00 0.00 N ATOM 505 NH2 ARG A 33 38.080 17.391 31.357 1.00 0.00 N ATOM 0 H ARG A 33 33.007 20.776 32.966 1.00 0.00 H new ATOM 0 HA ARG A 33 35.540 20.177 34.426 1.00 0.00 H new ATOM 0 HB2 ARG A 33 35.560 20.568 31.860 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.068 22.209 32.229 1.00 0.00 H new ATOM 0 HG2 ARG A 33 37.447 22.212 31.903 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.143 22.497 33.605 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.018 20.955 33.338 1.00 0.00 H new ATOM 0 HD3 ARG A 33 37.681 20.138 34.122 1.00 0.00 H new ATOM 0 HE ARG A 33 38.368 19.807 31.221 1.00 0.00 H new ATOM 0 HH11 ARG A 33 36.731 18.420 34.052 1.00 0.00 H new ATOM 0 HH12 ARG A 33 36.792 16.794 33.365 1.00 0.00 H new ATOM 0 HH21 ARG A 33 38.619 17.714 30.553 1.00 0.00 H new ATOM 0 HH22 ARG A 33 37.831 16.405 31.441 1.00 0.00 H new ATOM 519 N TRP A 34 35.470 22.407 35.691 1.00 0.00 N ATOM 520 CA TRP A 34 35.198 23.149 36.941 1.00 0.00 C ATOM 521 C TRP A 34 36.240 24.234 37.276 1.00 0.00 C ATOM 522 O TRP A 34 35.984 25.114 38.098 1.00 0.00 O ATOM 523 CB TRP A 34 35.099 22.131 38.105 1.00 0.00 C ATOM 524 CG TRP A 34 35.403 20.689 37.783 1.00 0.00 C ATOM 525 CD1 TRP A 34 34.487 19.699 37.743 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.659 20.082 37.332 1.00 0.00 C ATOM 527 NE1 TRP A 34 35.087 18.526 37.328 1.00 0.00 N ATOM 528 CE2 TRP A 34 36.412 18.712 37.020 1.00 0.00 C ATOM 529 CE3 TRP A 34 37.966 20.564 37.081 1.00 0.00 C ATOM 530 CZ2 TRP A 34 37.396 17.867 36.483 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.966 19.724 36.562 1.00 0.00 C ATOM 532 CH2 TRP A 34 38.683 18.378 36.258 1.00 0.00 C ATOM 0 H TRP A 34 36.463 22.254 35.517 1.00 0.00 H new ATOM 0 HA TRP A 34 34.260 23.685 36.796 1.00 0.00 H new ATOM 0 HB2 TRP A 34 35.779 22.452 38.894 1.00 0.00 H new ATOM 0 HB3 TRP A 34 34.090 22.181 38.514 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.443 19.807 37.997 1.00 0.00 H new ATOM 0 HE1 TRP A 34 34.604 17.630 37.259 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.199 21.597 37.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 37.166 16.839 36.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.959 20.114 36.395 1.00 0.00 H new ATOM 0 HH2 TRP A 34 39.455 17.741 35.853 1.00 0.00 H new ATOM 543 N GLU A 35 37.413 24.166 36.650 1.00 0.00 N ATOM 544 CA GLU A 35 38.608 24.985 36.874 1.00 0.00 C ATOM 545 C GLU A 35 39.414 24.982 35.558 1.00 0.00 C ATOM 546 O GLU A 35 39.177 24.084 34.742 1.00 0.00 O ATOM 547 CB GLU A 35 39.484 24.362 37.979 1.00 0.00 C ATOM 548 CG GLU A 35 38.851 24.222 39.364 1.00 0.00 C ATOM 549 CD GLU A 35 39.901 23.752 40.367 1.00 0.00 C ATOM 550 OE1 GLU A 35 40.244 22.547 40.377 1.00 0.00 O ATOM 551 OE2 GLU A 35 40.416 24.580 41.151 1.00 0.00 O ATOM 0 H GLU A 35 37.567 23.480 35.911 1.00 0.00 H new ATOM 0 HA GLU A 35 38.321 25.992 37.176 1.00 0.00 H new ATOM 0 HB2 GLU A 35 39.797 23.372 37.647 1.00 0.00 H new ATOM 0 HB3 GLU A 35 40.387 24.965 38.077 1.00 0.00 H new ATOM 0 HG2 GLU A 35 38.434 25.178 39.681 1.00 0.00 H new ATOM 0 HG3 GLU A 35 38.026 23.510 39.327 1.00 0.00 H new ATOM 558 N PRO A 36 40.351 25.926 35.323 1.00 0.00 N ATOM 559 CA PRO A 36 41.153 25.968 34.098 1.00 0.00 C ATOM 560 C PRO A 36 42.182 24.813 34.040 1.00 0.00 C ATOM 561 O PRO A 36 43.071 24.759 34.891 1.00 0.00 O ATOM 562 CB PRO A 36 41.824 27.347 34.097 1.00 0.00 C ATOM 563 CG PRO A 36 41.872 27.736 35.568 1.00 0.00 C ATOM 564 CD PRO A 36 40.613 27.101 36.145 1.00 0.00 C ATOM 0 HA PRO A 36 40.536 25.830 33.210 1.00 0.00 H new ATOM 0 HB2 PRO A 36 42.823 27.304 33.663 1.00 0.00 H new ATOM 0 HB3 PRO A 36 41.253 28.068 33.512 1.00 0.00 H new ATOM 0 HG2 PRO A 36 42.771 27.358 36.054 1.00 0.00 H new ATOM 0 HG3 PRO A 36 41.871 28.818 35.697 1.00 0.00 H new ATOM 0 HD2 PRO A 36 40.758 26.824 37.189 1.00 0.00 H new ATOM 0 HD3 PRO A 36 39.774 27.796 36.113 1.00 0.00 H new ATOM 572 N PRO A 37 42.095 23.895 33.051 1.00 0.00 N ATOM 573 CA PRO A 37 42.985 22.734 32.904 1.00 0.00 C ATOM 574 C PRO A 37 44.301 23.087 32.175 1.00 0.00 C ATOM 575 O PRO A 37 44.677 24.255 32.133 1.00 0.00 O ATOM 576 CB PRO A 37 42.120 21.712 32.163 1.00 0.00 C ATOM 577 CG PRO A 37 41.256 22.570 31.252 1.00 0.00 C ATOM 578 CD PRO A 37 41.000 23.806 32.093 1.00 0.00 C ATOM 0 HA PRO A 37 43.340 22.344 33.858 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.728 21.009 31.594 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.515 21.124 32.853 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.768 22.814 30.321 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.328 22.065 30.982 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.959 24.698 31.468 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.041 23.733 32.607 1.00 0.00 H new ATOM 586 N ALA A 38 45.042 22.112 31.624 1.00 0.00 N ATOM 587 CA ALA A 38 46.323 22.353 30.931 1.00 0.00 C ATOM 588 C ALA A 38 46.192 22.496 29.403 1.00 0.00 C ATOM 589 O ALA A 38 47.051 23.112 28.771 1.00 0.00 O ATOM 590 CB ALA A 38 47.305 21.238 31.302 1.00 0.00 C ATOM 0 H ALA A 38 44.770 21.129 31.646 1.00 0.00 H new ATOM 0 HA ALA A 38 46.700 23.318 31.270 1.00 0.00 H new ATOM 0 HB1 ALA A 38 48.255 21.406 30.795 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.464 21.237 32.380 1.00 0.00 H new ATOM 0 HB3 ALA A 38 46.896 20.276 30.995 1.00 0.00 H new ATOM 596 N ASP A 39 45.119 21.976 28.804 1.00 0.00 N ATOM 597 CA ASP A 39 44.714 22.199 27.398 1.00 0.00 C ATOM 598 C ASP A 39 44.051 23.584 27.174 1.00 0.00 C ATOM 599 O ASP A 39 43.630 23.924 26.067 1.00 0.00 O ATOM 600 CB ASP A 39 43.767 21.045 27.035 1.00 0.00 C ATOM 601 CG ASP A 39 43.372 20.890 25.561 1.00 0.00 C ATOM 602 OD1 ASP A 39 44.019 21.449 24.640 1.00 0.00 O ATOM 603 OD2 ASP A 39 42.398 20.135 25.332 1.00 0.00 O ATOM 0 H ASP A 39 44.475 21.360 29.300 1.00 0.00 H new ATOM 0 HA ASP A 39 45.590 22.210 26.750 1.00 0.00 H new ATOM 0 HB2 ASP A 39 44.232 20.114 27.358 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.853 21.164 27.617 1.00 0.00 H new ATOM 608 N THR A 40 43.937 24.375 28.248 1.00 0.00 N ATOM 609 CA THR A 40 43.331 25.712 28.300 1.00 0.00 C ATOM 610 C THR A 40 44.308 26.802 27.849 1.00 0.00 C ATOM 611 O THR A 40 45.498 26.549 27.662 1.00 0.00 O ATOM 612 CB THR A 40 42.805 25.895 29.727 1.00 0.00 C ATOM 613 OG1 THR A 40 41.556 26.504 29.712 1.00 0.00 O ATOM 614 CG2 THR A 40 43.685 26.702 30.674 1.00 0.00 C ATOM 0 H THR A 40 44.287 24.081 29.160 1.00 0.00 H new ATOM 0 HA THR A 40 42.504 25.805 27.596 1.00 0.00 H new ATOM 0 HB THR A 40 42.779 24.876 30.113 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.641 27.415 29.362 1.00 0.00 H new ATOM 0 HG21 THR A 40 43.207 26.762 31.652 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.655 26.215 30.773 1.00 0.00 H new ATOM 0 HG23 THR A 40 43.823 27.707 30.275 1.00 0.00 H new ATOM 622 N ASP A 41 43.832 28.037 27.711 1.00 0.00 N ATOM 623 CA ASP A 41 44.559 29.185 27.173 1.00 0.00 C ATOM 624 C ASP A 41 44.449 30.401 28.106 1.00 0.00 C ATOM 625 O ASP A 41 43.837 31.409 27.765 1.00 0.00 O ATOM 626 CB ASP A 41 44.009 29.515 25.774 1.00 0.00 C ATOM 627 CG ASP A 41 44.928 30.445 24.981 1.00 0.00 C ATOM 628 OD1 ASP A 41 46.168 30.267 25.041 1.00 0.00 O ATOM 629 OD2 ASP A 41 44.402 31.323 24.257 1.00 0.00 O ATOM 0 H ASP A 41 42.879 28.277 27.986 1.00 0.00 H new ATOM 0 HA ASP A 41 45.617 28.933 27.097 1.00 0.00 H new ATOM 0 HB2 ASP A 41 43.868 28.589 25.216 1.00 0.00 H new ATOM 0 HB3 ASP A 41 43.028 29.980 25.874 1.00 0.00 H new ATOM 634 N MET A 42 45.018 30.316 29.308 1.00 0.00 N ATOM 635 CA MET A 42 45.112 31.407 30.283 1.00 0.00 C ATOM 636 C MET A 42 45.375 32.813 29.719 1.00 0.00 C ATOM 637 O MET A 42 44.755 33.743 30.222 1.00 0.00 O ATOM 638 CB MET A 42 46.105 31.064 31.398 1.00 0.00 C ATOM 639 CG MET A 42 45.549 29.952 32.301 1.00 0.00 C ATOM 640 SD MET A 42 46.164 29.999 34.004 1.00 0.00 S ATOM 641 CE MET A 42 47.904 29.624 33.670 1.00 0.00 C ATOM 0 H MET A 42 45.443 29.452 29.644 1.00 0.00 H new ATOM 0 HA MET A 42 44.103 31.479 30.689 1.00 0.00 H new ATOM 0 HB2 MET A 42 47.052 30.745 30.962 1.00 0.00 H new ATOM 0 HB3 MET A 42 46.311 31.953 31.994 1.00 0.00 H new ATOM 0 HG2 MET A 42 44.461 30.023 32.318 1.00 0.00 H new ATOM 0 HG3 MET A 42 45.799 28.985 31.863 1.00 0.00 H new ATOM 0 HE1 MET A 42 48.441 29.520 34.613 1.00 0.00 H new ATOM 0 HE2 MET A 42 47.974 28.693 33.107 1.00 0.00 H new ATOM 0 HE3 MET A 42 48.346 30.433 33.089 1.00 0.00 H new ATOM 651 N GLU A 43 46.166 33.003 28.657 1.00 0.00 N ATOM 652 CA GLU A 43 46.383 34.328 28.031 1.00 0.00 C ATOM 653 C GLU A 43 45.125 34.906 27.312 1.00 0.00 C ATOM 654 O GLU A 43 45.060 36.103 27.008 1.00 0.00 O ATOM 655 CB GLU A 43 47.602 34.211 27.097 1.00 0.00 C ATOM 656 CG GLU A 43 48.150 35.536 26.548 1.00 0.00 C ATOM 657 CD GLU A 43 48.653 36.483 27.643 1.00 0.00 C ATOM 658 OE1 GLU A 43 49.636 36.144 28.343 1.00 0.00 O ATOM 659 OE2 GLU A 43 48.095 37.596 27.813 1.00 0.00 O ATOM 0 H GLU A 43 46.677 32.247 28.201 1.00 0.00 H new ATOM 0 HA GLU A 43 46.579 35.058 28.816 1.00 0.00 H new ATOM 0 HB2 GLU A 43 48.402 33.704 27.636 1.00 0.00 H new ATOM 0 HB3 GLU A 43 47.331 33.574 26.255 1.00 0.00 H new ATOM 0 HG2 GLU A 43 48.966 35.325 25.856 1.00 0.00 H new ATOM 0 HG3 GLU A 43 47.368 36.036 25.976 1.00 0.00 H new ATOM 666 N THR A 44 44.090 34.082 27.098 1.00 0.00 N ATOM 667 CA THR A 44 42.709 34.437 26.698 1.00 0.00 C ATOM 668 C THR A 44 41.717 34.264 27.856 1.00 0.00 C ATOM 669 O THR A 44 40.540 34.580 27.718 1.00 0.00 O ATOM 670 CB THR A 44 42.288 33.576 25.488 1.00 0.00 C ATOM 671 OG1 THR A 44 43.269 33.717 24.489 1.00 0.00 O ATOM 672 CG2 THR A 44 40.951 33.999 24.863 1.00 0.00 C ATOM 0 H THR A 44 44.198 33.073 27.206 1.00 0.00 H new ATOM 0 HA THR A 44 42.694 35.491 26.419 1.00 0.00 H new ATOM 0 HB THR A 44 42.180 32.554 25.853 1.00 0.00 H new ATOM 0 HG1 THR A 44 43.880 32.952 24.520 1.00 0.00 H new ATOM 0 HG21 THR A 44 40.722 33.348 24.019 1.00 0.00 H new ATOM 0 HG22 THR A 44 40.160 33.919 25.608 1.00 0.00 H new ATOM 0 HG23 THR A 44 41.021 35.030 24.517 1.00 0.00 H new ATOM 680 N LEU A 45 42.147 33.791 29.030 1.00 0.00 N ATOM 681 CA LEU A 45 41.289 33.781 30.215 1.00 0.00 C ATOM 682 C LEU A 45 41.523 34.927 31.165 1.00 0.00 C ATOM 683 O LEU A 45 40.640 35.130 31.982 1.00 0.00 O ATOM 684 CB LEU A 45 41.416 32.500 31.035 1.00 0.00 C ATOM 685 CG LEU A 45 40.793 31.292 30.355 1.00 0.00 C ATOM 686 CD1 LEU A 45 41.217 30.041 31.145 1.00 0.00 C ATOM 687 CD2 LEU A 45 39.277 31.273 30.212 1.00 0.00 C ATOM 0 H LEU A 45 43.081 33.412 29.183 1.00 0.00 H new ATOM 0 HA LEU A 45 40.292 33.868 29.783 1.00 0.00 H new ATOM 0 HB2 LEU A 45 42.471 32.299 31.223 1.00 0.00 H new ATOM 0 HB3 LEU A 45 40.941 32.648 32.005 1.00 0.00 H new ATOM 0 HG LEU A 45 41.160 31.328 29.329 1.00 0.00 H new ATOM 0 HD11 LEU A 45 40.785 29.154 30.681 1.00 0.00 H new ATOM 0 HD12 LEU A 45 42.304 29.959 31.141 1.00 0.00 H new ATOM 0 HD13 LEU A 45 40.863 30.122 32.173 1.00 0.00 H new ATOM 0 HD21 LEU A 45 38.970 30.355 29.710 1.00 0.00 H new ATOM 0 HD22 LEU A 45 38.818 31.317 31.200 1.00 0.00 H new ATOM 0 HD23 LEU A 45 38.956 32.133 29.624 1.00 0.00 H new ATOM 699 N LYS A 46 42.632 35.667 31.163 1.00 0.00 N ATOM 700 CA LYS A 46 42.748 36.684 32.215 1.00 0.00 C ATOM 701 C LYS A 46 41.725 37.817 31.990 1.00 0.00 C ATOM 702 O LYS A 46 41.066 38.270 32.925 1.00 0.00 O ATOM 703 CB LYS A 46 44.166 37.261 32.352 1.00 0.00 C ATOM 704 CG LYS A 46 45.342 36.282 32.282 1.00 0.00 C ATOM 705 CD LYS A 46 45.459 35.229 33.393 1.00 0.00 C ATOM 706 CE LYS A 46 44.418 34.099 33.433 1.00 0.00 C ATOM 707 NZ LYS A 46 44.707 33.187 34.566 1.00 0.00 N ATOM 0 H LYS A 46 43.407 35.597 30.504 1.00 0.00 H new ATOM 0 HA LYS A 46 42.529 36.177 33.155 1.00 0.00 H new ATOM 0 HB2 LYS A 46 44.302 38.006 31.568 1.00 0.00 H new ATOM 0 HB3 LYS A 46 44.224 37.787 33.305 1.00 0.00 H new ATOM 0 HG2 LYS A 46 45.286 35.758 31.328 1.00 0.00 H new ATOM 0 HG3 LYS A 46 46.263 36.864 32.273 1.00 0.00 H new ATOM 0 HD2 LYS A 46 46.445 34.771 33.316 1.00 0.00 H new ATOM 0 HD3 LYS A 46 45.423 35.749 34.350 1.00 0.00 H new ATOM 0 HE2 LYS A 46 43.417 34.518 33.538 1.00 0.00 H new ATOM 0 HE3 LYS A 46 44.434 33.544 32.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 43.822 32.957 35.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 45.139 32.312 34.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 45.363 33.651 35.226 1.00 0.00 H new ATOM 721 N MET A 47 41.497 38.173 30.719 1.00 0.00 N ATOM 722 CA MET A 47 40.369 38.982 30.225 1.00 0.00 C ATOM 723 C MET A 47 38.983 38.470 30.674 1.00 0.00 C ATOM 724 O MET A 47 38.023 39.235 30.722 1.00 0.00 O ATOM 725 CB MET A 47 40.466 39.056 28.686 1.00 0.00 C ATOM 726 CG MET A 47 40.269 37.715 27.965 1.00 0.00 C ATOM 727 SD MET A 47 40.215 37.818 26.155 1.00 0.00 S ATOM 728 CE MET A 47 41.904 38.394 25.836 1.00 0.00 C ATOM 0 H MET A 47 42.125 37.891 29.967 1.00 0.00 H new ATOM 0 HA MET A 47 40.451 39.975 30.667 1.00 0.00 H new ATOM 0 HB2 MET A 47 39.719 39.762 28.322 1.00 0.00 H new ATOM 0 HB3 MET A 47 41.443 39.458 28.416 1.00 0.00 H new ATOM 0 HG2 MET A 47 41.078 37.043 28.252 1.00 0.00 H new ATOM 0 HG3 MET A 47 39.341 37.264 28.316 1.00 0.00 H new ATOM 0 HE1 MET A 47 42.147 38.245 24.784 1.00 0.00 H new ATOM 0 HE2 MET A 47 41.979 39.454 26.079 1.00 0.00 H new ATOM 0 HE3 MET A 47 42.603 37.830 26.453 1.00 0.00 H new ATOM 738 N TYR A 48 38.878 37.188 31.029 1.00 0.00 N ATOM 739 CA TYR A 48 37.658 36.498 31.445 1.00 0.00 C ATOM 740 C TYR A 48 37.596 36.266 32.974 1.00 0.00 C ATOM 741 O TYR A 48 36.817 36.902 33.677 1.00 0.00 O ATOM 742 CB TYR A 48 37.593 35.183 30.644 1.00 0.00 C ATOM 743 CG TYR A 48 36.452 34.291 31.070 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.112 34.713 30.981 1.00 0.00 C ATOM 745 CD2 TYR A 48 36.755 33.018 31.573 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.077 33.855 31.399 1.00 0.00 C ATOM 747 CE2 TYR A 48 35.728 32.139 31.948 1.00 0.00 C ATOM 748 CZ TYR A 48 34.382 32.563 31.888 1.00 0.00 C ATOM 749 OH TYR A 48 33.390 31.724 32.292 1.00 0.00 O ATOM 0 H TYR A 48 39.689 36.569 31.034 1.00 0.00 H new ATOM 0 HA TYR A 48 36.785 37.115 31.232 1.00 0.00 H new ATOM 0 HB2 TYR A 48 37.490 35.414 29.584 1.00 0.00 H new ATOM 0 HB3 TYR A 48 38.533 34.644 30.763 1.00 0.00 H new ATOM 0 HD1 TYR A 48 34.878 35.693 30.593 1.00 0.00 H new ATOM 0 HD2 TYR A 48 37.786 32.712 31.672 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.049 34.183 31.346 1.00 0.00 H new ATOM 0 HE2 TYR A 48 35.966 31.140 32.282 1.00 0.00 H new ATOM 0 HH TYR A 48 33.781 30.878 32.597 1.00 0.00 H new ATOM 759 N MET A 49 38.443 35.373 33.497 1.00 0.00 N ATOM 760 CA MET A 49 38.514 34.894 34.885 1.00 0.00 C ATOM 761 C MET A 49 38.927 35.955 35.928 1.00 0.00 C ATOM 762 O MET A 49 38.721 35.733 37.124 1.00 0.00 O ATOM 763 CB MET A 49 39.474 33.682 34.930 1.00 0.00 C ATOM 764 CG MET A 49 38.942 32.478 34.143 1.00 0.00 C ATOM 765 SD MET A 49 39.552 30.873 34.718 1.00 0.00 S ATOM 766 CE MET A 49 38.228 29.834 34.049 1.00 0.00 C ATOM 0 H MET A 49 39.154 34.930 32.915 1.00 0.00 H new ATOM 0 HA MET A 49 37.500 34.617 35.174 1.00 0.00 H new ATOM 0 HB2 MET A 49 40.443 33.976 34.526 1.00 0.00 H new ATOM 0 HB3 MET A 49 39.636 33.390 35.968 1.00 0.00 H new ATOM 0 HG2 MET A 49 37.853 32.478 34.196 1.00 0.00 H new ATOM 0 HG3 MET A 49 39.210 32.599 33.094 1.00 0.00 H new ATOM 0 HE1 MET A 49 38.393 28.798 34.345 1.00 0.00 H new ATOM 0 HE2 MET A 49 37.268 30.173 34.437 1.00 0.00 H new ATOM 0 HE3 MET A 49 38.225 29.904 32.961 1.00 0.00 H new ATOM 776 N ALA A 50 39.485 37.100 35.512 1.00 0.00 N ATOM 777 CA ALA A 50 39.964 38.175 36.396 1.00 0.00 C ATOM 778 C ALA A 50 40.141 39.499 35.625 1.00 0.00 C ATOM 779 O ALA A 50 41.262 40.006 35.517 1.00 0.00 O ATOM 780 CB ALA A 50 41.260 37.709 37.076 1.00 0.00 C ATOM 0 H ALA A 50 39.620 37.311 34.523 1.00 0.00 H new ATOM 0 HA ALA A 50 39.222 38.381 37.167 1.00 0.00 H new ATOM 0 HB1 ALA A 50 41.628 38.495 37.735 1.00 0.00 H new ATOM 0 HB2 ALA A 50 41.062 36.810 37.659 1.00 0.00 H new ATOM 0 HB3 ALA A 50 42.011 37.491 36.317 1.00 0.00 H new ATOM 786 N THR A 51 39.023 39.983 35.054 1.00 0.00 N ATOM 787 CA THR A 51 38.892 40.952 33.943 1.00 0.00 C ATOM 788 C THR A 51 40.068 41.916 33.778 1.00 0.00 C ATOM 789 O THR A 51 40.090 43.013 34.335 1.00 0.00 O ATOM 790 CB THR A 51 37.567 41.720 34.051 1.00 0.00 C ATOM 791 OG1 THR A 51 36.505 40.846 34.366 1.00 0.00 O ATOM 792 CG2 THR A 51 37.226 42.424 32.739 1.00 0.00 C ATOM 0 H THR A 51 38.106 39.682 35.385 1.00 0.00 H new ATOM 0 HA THR A 51 38.899 40.347 33.036 1.00 0.00 H new ATOM 0 HB THR A 51 37.694 42.459 34.843 1.00 0.00 H new ATOM 0 HG1 THR A 51 35.671 41.356 34.432 1.00 0.00 H new ATOM 0 HG21 THR A 51 36.282 42.959 32.848 1.00 0.00 H new ATOM 0 HG22 THR A 51 38.017 43.131 32.489 1.00 0.00 H new ATOM 0 HG23 THR A 51 37.135 41.685 31.943 1.00 0.00 H new ATOM 800 N TYR A 52 41.030 41.507 32.954 1.00 0.00 N ATOM 801 CA TYR A 52 42.231 42.282 32.631 1.00 0.00 C ATOM 802 C TYR A 52 41.886 43.613 31.927 1.00 0.00 C ATOM 803 O TYR A 52 41.213 43.614 30.890 1.00 0.00 O ATOM 804 CB TYR A 52 43.144 41.392 31.775 1.00 0.00 C ATOM 805 CG TYR A 52 44.587 41.841 31.709 1.00 0.00 C ATOM 806 CD1 TYR A 52 45.450 41.533 32.776 1.00 0.00 C ATOM 807 CD2 TYR A 52 45.082 42.516 30.575 1.00 0.00 C ATOM 808 CE1 TYR A 52 46.813 41.873 32.706 1.00 0.00 C ATOM 809 CE2 TYR A 52 46.448 42.847 30.491 1.00 0.00 C ATOM 810 CZ TYR A 52 47.319 42.516 31.556 1.00 0.00 C ATOM 811 OH TYR A 52 48.653 42.769 31.470 1.00 0.00 O ATOM 0 H TYR A 52 40.997 40.605 32.479 1.00 0.00 H new ATOM 0 HA TYR A 52 42.749 42.567 33.547 1.00 0.00 H new ATOM 0 HB2 TYR A 52 43.112 40.377 32.170 1.00 0.00 H new ATOM 0 HB3 TYR A 52 42.744 41.353 30.762 1.00 0.00 H new ATOM 0 HD1 TYR A 52 45.065 41.033 33.653 1.00 0.00 H new ATOM 0 HD2 TYR A 52 44.413 42.780 29.769 1.00 0.00 H new ATOM 0 HE1 TYR A 52 47.471 41.642 33.531 1.00 0.00 H new ATOM 0 HE2 TYR A 52 46.830 43.352 29.616 1.00 0.00 H new ATOM 0 HH TYR A 52 48.847 43.215 30.619 1.00 0.00 H new ATOM 821 N HIS A 53 42.318 44.751 32.493 1.00 0.00 N ATOM 822 CA HIS A 53 41.815 46.094 32.136 1.00 0.00 C ATOM 823 C HIS A 53 42.718 47.224 32.619 1.00 0.00 C ATOM 824 O HIS A 53 43.172 47.180 33.781 1.00 0.00 O ATOM 825 CB HIS A 53 40.400 46.245 32.729 1.00 0.00 C ATOM 826 CG HIS A 53 39.559 47.343 32.138 1.00 0.00 C ATOM 827 ND1 HIS A 53 38.453 47.124 31.316 1.00 0.00 N ATOM 828 CD2 HIS A 53 39.668 48.677 32.391 1.00 0.00 C ATOM 829 CE1 HIS A 53 37.928 48.339 31.080 1.00 0.00 C ATOM 830 NE2 HIS A 53 38.638 49.289 31.711 1.00 0.00 N ATOM 831 OXT HIS A 53 42.981 48.162 31.840 1.00 0.00 O ATOM 0 H HIS A 53 43.034 44.769 33.219 1.00 0.00 H new ATOM 0 HA HIS A 53 41.798 46.174 31.049 1.00 0.00 H new ATOM 0 HB2 HIS A 53 39.871 45.300 32.604 1.00 0.00 H new ATOM 0 HB3 HIS A 53 40.492 46.420 33.801 1.00 0.00 H new ATOM 0 HD2 HIS A 53 40.415 49.160 33.004 1.00 0.00 H new ATOM 0 HE1 HIS A 53 37.057 48.525 30.469 1.00 0.00 H new ATOM 0 HE2 HIS A 53 38.447 50.291 31.690 1.00 0.00 H new TER 839 HIS A 53