USER MOD reduce.3.24.130724 H: found=0, std=0, add=352, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 349 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 32 HIS : no HD1:sc= -17.4! C(o=-18!,f=-27!) USER MOD Set 1.2: A 35 THR OG1 : rot -143:sc= -0.152 USER MOD Set 1.3: A 37 THR OG1 : rot 180:sc= 0.00196 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -1.45 K(o=-1.4,f=-4.2!) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 167:sc= -2.6! USER MOD Single : A 20 MET CE :methyl 149:sc= 0 (180deg=-0.0188) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00506 USER MOD Single : A 39 GLN : amide:sc= -0.838 K(o=-0.84,f=-1.9) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0355 X(o=-0.035,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -16.121 -3.965 -3.900 1.00 0.00 N ATOM 2 CA ASP A 1 -17.235 -4.562 -3.109 1.00 0.00 C ATOM 3 C ASP A 1 -18.150 -3.460 -2.569 1.00 0.00 C ATOM 4 O ASP A 1 -18.182 -2.359 -3.082 1.00 0.00 O ATOM 5 CB ASP A 1 -16.551 -5.304 -1.961 1.00 0.00 C ATOM 6 CG ASP A 1 -16.817 -6.805 -2.090 1.00 0.00 C ATOM 7 OD1 ASP A 1 -17.282 -7.216 -3.141 1.00 0.00 O ATOM 8 OD2 ASP A 1 -16.552 -7.519 -1.137 1.00 0.00 O ATOM 0 H1 ASP A 1 -15.507 -4.723 -4.261 1.00 0.00 H new ATOM 0 H2 ASP A 1 -16.512 -3.426 -4.699 1.00 0.00 H new ATOM 0 H3 ASP A 1 -15.566 -3.329 -3.292 1.00 0.00 H new ATOM 0 HA ASP A 1 -17.859 -5.225 -3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -15.478 -5.112 -1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -16.925 -4.939 -1.004 1.00 0.00 H new ATOM 13 N SER A 2 -18.894 -3.746 -1.535 1.00 0.00 N ATOM 14 CA SER A 2 -19.804 -2.713 -0.964 1.00 0.00 C ATOM 15 C SER A 2 -19.015 -1.449 -0.617 1.00 0.00 C ATOM 16 O SER A 2 -18.254 -1.420 0.331 1.00 0.00 O ATOM 17 CB SER A 2 -20.385 -3.349 0.298 1.00 0.00 C ATOM 18 OG SER A 2 -21.728 -3.742 0.050 1.00 0.00 O ATOM 0 H SER A 2 -18.911 -4.649 -1.062 1.00 0.00 H new ATOM 0 HA SER A 2 -20.585 -2.417 -1.665 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.789 -4.213 0.591 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.348 -2.641 1.126 1.00 0.00 H new ATOM 0 HG SER A 2 -22.103 -4.152 0.857 1.00 0.00 H new ATOM 24 N PHE A 3 -19.190 -0.402 -1.377 1.00 0.00 N ATOM 25 CA PHE A 3 -18.450 0.860 -1.093 1.00 0.00 C ATOM 26 C PHE A 3 -18.694 1.303 0.354 1.00 0.00 C ATOM 27 O PHE A 3 -17.859 1.940 0.966 1.00 0.00 O ATOM 28 CB PHE A 3 -19.027 1.883 -2.072 1.00 0.00 C ATOM 29 CG PHE A 3 -18.597 3.272 -1.664 1.00 0.00 C ATOM 30 CD1 PHE A 3 -17.246 3.541 -1.411 1.00 0.00 C ATOM 31 CD2 PHE A 3 -19.548 4.291 -1.541 1.00 0.00 C ATOM 32 CE1 PHE A 3 -16.847 4.829 -1.034 1.00 0.00 C ATOM 33 CE2 PHE A 3 -19.150 5.579 -1.163 1.00 0.00 C ATOM 34 CZ PHE A 3 -17.799 5.847 -0.910 1.00 0.00 C ATOM 0 H PHE A 3 -19.814 -0.366 -2.183 1.00 0.00 H new ATOM 0 HA PHE A 3 -17.373 0.744 -1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -18.683 1.667 -3.084 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -20.115 1.817 -2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -16.512 2.755 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -20.590 4.084 -1.738 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -15.805 5.037 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -19.884 6.365 -1.067 1.00 0.00 H new ATOM 0 HZ PHE A 3 -17.492 6.841 -0.619 1.00 0.00 H new ATOM 44 N TRP A 4 -19.831 0.974 0.901 1.00 0.00 N ATOM 45 CA TRP A 4 -20.131 1.377 2.302 1.00 0.00 C ATOM 46 C TRP A 4 -19.216 0.634 3.281 1.00 0.00 C ATOM 47 O TRP A 4 -19.502 -0.471 3.697 1.00 0.00 O ATOM 48 CB TRP A 4 -21.590 0.983 2.523 1.00 0.00 C ATOM 49 CG TRP A 4 -22.439 2.213 2.547 1.00 0.00 C ATOM 50 CD1 TRP A 4 -23.444 2.479 1.681 1.00 0.00 C ATOM 51 CD2 TRP A 4 -22.375 3.345 3.461 1.00 0.00 C ATOM 52 NE1 TRP A 4 -24.001 3.703 2.007 1.00 0.00 N ATOM 53 CE2 TRP A 4 -23.376 4.276 3.097 1.00 0.00 C ATOM 54 CE3 TRP A 4 -21.553 3.651 4.561 1.00 0.00 C ATOM 55 CZ2 TRP A 4 -23.557 5.468 3.799 1.00 0.00 C ATOM 56 CZ3 TRP A 4 -21.732 4.849 5.270 1.00 0.00 C ATOM 57 CH2 TRP A 4 -22.731 5.756 4.890 1.00 0.00 C ATOM 0 H TRP A 4 -20.567 0.442 0.436 1.00 0.00 H new ATOM 0 HA TRP A 4 -19.967 2.442 2.468 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -21.922 0.314 1.729 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -21.693 0.439 3.462 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -23.760 1.841 0.869 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -24.779 4.130 1.504 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -20.780 2.960 4.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -24.329 6.163 3.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -21.096 5.073 6.114 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -22.863 6.676 5.439 1.00 0.00 H new ATOM 68 N ASN A 5 -18.116 1.233 3.652 1.00 0.00 N ATOM 69 CA ASN A 5 -17.185 0.564 4.606 1.00 0.00 C ATOM 70 C ASN A 5 -15.944 1.433 4.828 1.00 0.00 C ATOM 71 O ASN A 5 -15.027 1.424 4.031 1.00 0.00 O ATOM 72 CB ASN A 5 -16.803 -0.753 3.931 1.00 0.00 C ATOM 73 CG ASN A 5 -16.828 -1.881 4.964 1.00 0.00 C ATOM 74 OD1 ASN A 5 -17.018 -1.640 6.140 1.00 0.00 O ATOM 75 ND2 ASN A 5 -16.639 -3.113 4.572 1.00 0.00 N ATOM 0 H ASN A 5 -17.822 2.157 3.335 1.00 0.00 H new ATOM 0 HA ASN A 5 -17.640 0.403 5.583 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -17.497 -0.973 3.120 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -15.810 -0.673 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -16.651 -3.872 5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -16.480 -3.315 3.585 1.00 0.00 H new ATOM 82 N PRO A 6 -15.962 2.162 5.911 1.00 0.00 N ATOM 83 CA PRO A 6 -14.826 3.055 6.250 1.00 0.00 C ATOM 84 C PRO A 6 -13.627 2.239 6.739 1.00 0.00 C ATOM 85 O PRO A 6 -12.490 2.649 6.611 1.00 0.00 O ATOM 86 CB PRO A 6 -15.382 3.930 7.370 1.00 0.00 C ATOM 87 CG PRO A 6 -16.477 3.121 7.989 1.00 0.00 C ATOM 88 CD PRO A 6 -17.032 2.223 6.912 1.00 0.00 C ATOM 0 HA PRO A 6 -14.469 3.634 5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.610 4.173 8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.762 4.875 6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -16.095 2.531 8.823 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -17.256 3.770 8.388 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -17.270 1.233 7.302 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -17.951 2.629 6.489 1.00 0.00 H new ATOM 96 N ASN A 7 -13.872 1.087 7.300 1.00 0.00 N ATOM 97 CA ASN A 7 -12.744 0.246 7.798 1.00 0.00 C ATOM 98 C ASN A 7 -12.739 -1.109 7.086 1.00 0.00 C ATOM 99 O ASN A 7 -12.944 -2.142 7.694 1.00 0.00 O ATOM 100 CB ASN A 7 -13.014 0.068 9.293 1.00 0.00 C ATOM 101 CG ASN A 7 -12.185 1.080 10.085 1.00 0.00 C ATOM 102 OD1 ASN A 7 -11.958 2.184 9.633 1.00 0.00 O ATOM 103 ND2 ASN A 7 -11.719 0.747 11.259 1.00 0.00 N ATOM 0 H ASN A 7 -14.802 0.691 7.436 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.773 0.704 7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.075 0.208 9.501 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.760 -0.946 9.601 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -11.165 1.414 11.796 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -11.909 -0.180 11.639 1.00 0.00 H new ATOM 110 N ALA A 8 -12.505 -1.114 5.801 1.00 0.00 N ATOM 111 CA ALA A 8 -12.485 -2.402 5.050 1.00 0.00 C ATOM 112 C ALA A 8 -11.063 -2.715 4.576 1.00 0.00 C ATOM 113 O ALA A 8 -10.252 -1.830 4.389 1.00 0.00 O ATOM 114 CB ALA A 8 -13.413 -2.178 3.855 1.00 0.00 C ATOM 0 H ALA A 8 -12.327 -0.282 5.239 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.807 -3.244 5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.452 -3.084 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.414 -1.936 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.035 -1.354 3.250 1.00 0.00 H new ATOM 120 N PHE A 9 -10.752 -3.970 4.382 1.00 0.00 N ATOM 121 CA PHE A 9 -9.381 -4.337 3.922 1.00 0.00 C ATOM 122 C PHE A 9 -8.941 -3.421 2.776 1.00 0.00 C ATOM 123 O PHE A 9 -9.262 -3.652 1.627 1.00 0.00 O ATOM 124 CB PHE A 9 -9.495 -5.783 3.437 1.00 0.00 C ATOM 125 CG PHE A 9 -8.186 -6.210 2.819 1.00 0.00 C ATOM 126 CD1 PHE A 9 -6.976 -5.831 3.412 1.00 0.00 C ATOM 127 CD2 PHE A 9 -8.181 -6.983 1.651 1.00 0.00 C ATOM 128 CE1 PHE A 9 -5.760 -6.225 2.838 1.00 0.00 C ATOM 129 CE2 PHE A 9 -6.966 -7.377 1.078 1.00 0.00 C ATOM 130 CZ PHE A 9 -5.756 -6.998 1.672 1.00 0.00 C ATOM 0 H PHE A 9 -11.388 -4.755 4.522 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.641 -4.231 4.715 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.747 -6.439 4.270 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.300 -5.871 2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.980 -5.235 4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.114 -7.275 1.193 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.827 -5.932 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.962 -7.973 0.178 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.819 -7.303 1.230 1.00 0.00 H new ATOM 140 N GLU A 10 -8.206 -2.386 3.079 1.00 0.00 N ATOM 141 CA GLU A 10 -7.746 -1.460 2.007 1.00 0.00 C ATOM 142 C GLU A 10 -6.733 -2.160 1.098 1.00 0.00 C ATOM 143 O GLU A 10 -6.660 -3.372 1.050 1.00 0.00 O ATOM 144 CB GLU A 10 -7.085 -0.298 2.748 1.00 0.00 C ATOM 145 CG GLU A 10 -5.878 -0.812 3.534 1.00 0.00 C ATOM 146 CD GLU A 10 -5.376 0.286 4.473 1.00 0.00 C ATOM 147 OE1 GLU A 10 -5.065 1.360 3.985 1.00 0.00 O ATOM 148 OE2 GLU A 10 -5.310 0.035 5.665 1.00 0.00 O ATOM 0 H GLU A 10 -7.905 -2.142 4.022 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.565 -1.127 1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.771 0.467 2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.800 0.169 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.154 -1.697 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.084 -1.110 2.849 1.00 0.00 H new ATOM 155 N THR A 11 -5.952 -1.403 0.380 1.00 0.00 N ATOM 156 CA THR A 11 -4.941 -2.021 -0.527 1.00 0.00 C ATOM 157 C THR A 11 -3.556 -1.995 0.125 1.00 0.00 C ATOM 158 O THR A 11 -3.426 -1.831 1.322 1.00 0.00 O ATOM 159 CB THR A 11 -4.957 -1.153 -1.787 1.00 0.00 C ATOM 160 OG1 THR A 11 -6.242 -0.567 -1.941 1.00 0.00 O ATOM 161 CG2 THR A 11 -4.638 -2.017 -3.008 1.00 0.00 C ATOM 0 H THR A 11 -5.969 -0.383 0.381 1.00 0.00 H new ATOM 0 HA THR A 11 -5.167 -3.064 -0.747 1.00 0.00 H new ATOM 0 HB THR A 11 -4.208 -0.366 -1.696 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.253 -0.009 -2.747 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.650 -1.398 -3.905 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.651 -2.465 -2.889 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.385 -2.805 -3.101 1.00 0.00 H new ATOM 169 N ASP A 12 -2.521 -2.157 -0.652 1.00 0.00 N ATOM 170 CA ASP A 12 -1.146 -2.143 -0.077 1.00 0.00 C ATOM 171 C ASP A 12 -0.859 -0.791 0.581 1.00 0.00 C ATOM 172 O ASP A 12 -1.722 0.060 0.673 1.00 0.00 O ATOM 173 CB ASP A 12 -0.216 -2.367 -1.270 1.00 0.00 C ATOM 174 CG ASP A 12 -0.333 -1.188 -2.238 1.00 0.00 C ATOM 175 OD1 ASP A 12 -0.110 -0.069 -1.808 1.00 0.00 O ATOM 176 OD2 ASP A 12 -0.643 -1.425 -3.395 1.00 0.00 O ATOM 0 H ASP A 12 -2.568 -2.299 -1.661 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.013 -2.903 0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.814 -2.469 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.476 -3.295 -1.778 1.00 0.00 H new ATOM 181 N SER A 13 0.345 -0.587 1.041 1.00 0.00 N ATOM 182 CA SER A 13 0.684 0.709 1.695 1.00 0.00 C ATOM 183 C SER A 13 1.822 1.402 0.944 1.00 0.00 C ATOM 184 O SER A 13 1.783 2.590 0.696 1.00 0.00 O ATOM 185 CB SER A 13 1.127 0.336 3.108 1.00 0.00 C ATOM 186 OG SER A 13 1.679 -0.973 3.096 1.00 0.00 O ATOM 0 H SER A 13 1.109 -1.261 0.992 1.00 0.00 H new ATOM 0 HA SER A 13 -0.159 1.400 1.700 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.865 1.051 3.471 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.279 0.379 3.791 1.00 0.00 H new ATOM 0 HG SER A 13 2.150 -1.137 3.940 1.00 0.00 H new ATOM 192 N ASP A 14 2.835 0.667 0.582 1.00 0.00 N ATOM 193 CA ASP A 14 3.977 1.284 -0.151 1.00 0.00 C ATOM 194 C ASP A 14 4.986 0.213 -0.576 1.00 0.00 C ATOM 195 O ASP A 14 6.120 0.209 -0.141 1.00 0.00 O ATOM 196 CB ASP A 14 4.612 2.251 0.849 1.00 0.00 C ATOM 197 CG ASP A 14 4.817 1.539 2.188 1.00 0.00 C ATOM 198 OD1 ASP A 14 5.564 0.575 2.215 1.00 0.00 O ATOM 199 OD2 ASP A 14 4.225 1.971 3.163 1.00 0.00 O ATOM 0 H ASP A 14 2.923 -0.333 0.761 1.00 0.00 H new ATOM 0 HA ASP A 14 3.654 1.788 -1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.567 2.611 0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.973 3.124 0.983 1.00 0.00 H new ATOM 204 N LEU A 15 4.585 -0.690 -1.428 1.00 0.00 N ATOM 205 CA LEU A 15 5.527 -1.753 -1.886 1.00 0.00 C ATOM 206 C LEU A 15 6.214 -1.315 -3.181 1.00 0.00 C ATOM 207 O LEU A 15 5.805 -0.357 -3.805 1.00 0.00 O ATOM 208 CB LEU A 15 4.651 -2.981 -2.144 1.00 0.00 C ATOM 209 CG LEU A 15 4.319 -3.661 -0.816 1.00 0.00 C ATOM 210 CD1 LEU A 15 5.611 -3.954 -0.054 1.00 0.00 C ATOM 211 CD2 LEU A 15 3.432 -2.736 0.022 1.00 0.00 C ATOM 0 H LEU A 15 3.648 -0.739 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 15 6.308 -1.956 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.733 -2.685 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.169 -3.679 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 15 3.792 -4.596 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.373 -4.439 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.244 -4.612 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.139 -3.020 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.194 -3.220 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.960 -1.802 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.510 -2.527 -0.520 1.00 0.00 H new ATOM 223 N PRO A 16 7.233 -2.042 -3.547 1.00 0.00 N ATOM 224 CA PRO A 16 7.977 -1.729 -4.791 1.00 0.00 C ATOM 225 C PRO A 16 7.095 -2.016 -6.009 1.00 0.00 C ATOM 226 O PRO A 16 5.889 -2.098 -5.905 1.00 0.00 O ATOM 227 CB PRO A 16 9.177 -2.671 -4.738 1.00 0.00 C ATOM 228 CG PRO A 16 8.737 -3.798 -3.862 1.00 0.00 C ATOM 229 CD PRO A 16 7.786 -3.210 -2.854 1.00 0.00 C ATOM 0 HA PRO A 16 8.277 -0.684 -4.871 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.447 -3.025 -5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.055 -2.171 -4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.249 -4.577 -4.448 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.591 -4.260 -3.366 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.006 -3.919 -2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.300 -2.926 -1.935 1.00 0.00 H new ATOM 237 N ALA A 17 7.683 -2.161 -7.161 1.00 0.00 N ATOM 238 CA ALA A 17 6.864 -2.434 -8.376 1.00 0.00 C ATOM 239 C ALA A 17 6.876 -3.926 -8.712 1.00 0.00 C ATOM 240 O ALA A 17 7.905 -4.501 -9.005 1.00 0.00 O ATOM 241 CB ALA A 17 7.526 -1.626 -9.492 1.00 0.00 C ATOM 0 H ALA A 17 8.690 -2.103 -7.316 1.00 0.00 H new ATOM 0 HA ALA A 17 5.820 -2.156 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.979 -1.775 -10.423 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.516 -0.568 -9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.556 -1.958 -9.620 1.00 0.00 H new ATOM 247 N GLY A 18 5.733 -4.553 -8.676 1.00 0.00 N ATOM 248 CA GLY A 18 5.666 -6.005 -8.999 1.00 0.00 C ATOM 249 C GLY A 18 5.328 -6.799 -7.738 1.00 0.00 C ATOM 250 O GLY A 18 5.004 -7.964 -7.805 1.00 0.00 O ATOM 0 H GLY A 18 4.841 -4.121 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.911 -6.182 -9.765 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.619 -6.341 -9.407 1.00 0.00 H new ATOM 254 N TRP A 19 5.392 -6.185 -6.588 1.00 0.00 N ATOM 255 CA TRP A 19 5.065 -6.934 -5.338 1.00 0.00 C ATOM 256 C TRP A 19 3.625 -6.635 -4.912 1.00 0.00 C ATOM 257 O TRP A 19 3.158 -5.517 -5.012 1.00 0.00 O ATOM 258 CB TRP A 19 6.063 -6.431 -4.296 1.00 0.00 C ATOM 259 CG TRP A 19 7.300 -7.270 -4.353 1.00 0.00 C ATOM 260 CD1 TRP A 19 8.444 -6.924 -4.989 1.00 0.00 C ATOM 261 CD2 TRP A 19 7.540 -8.586 -3.771 1.00 0.00 C ATOM 262 NE1 TRP A 19 9.370 -7.939 -4.831 1.00 0.00 N ATOM 263 CE2 TRP A 19 8.860 -8.985 -4.089 1.00 0.00 C ATOM 264 CE3 TRP A 19 6.749 -9.463 -3.005 1.00 0.00 C ATOM 265 CZ2 TRP A 19 9.377 -10.209 -3.663 1.00 0.00 C ATOM 266 CZ3 TRP A 19 7.269 -10.697 -2.575 1.00 0.00 C ATOM 267 CH2 TRP A 19 8.580 -11.068 -2.903 1.00 0.00 C ATOM 0 H TRP A 19 5.653 -5.208 -6.458 1.00 0.00 H new ATOM 0 HA TRP A 19 5.137 -8.014 -5.468 1.00 0.00 H new ATOM 0 HB2 TRP A 19 6.309 -5.386 -4.486 1.00 0.00 H new ATOM 0 HB3 TRP A 19 5.622 -6.479 -3.300 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.607 -6.005 -5.532 1.00 0.00 H new ATOM 0 HE1 TRP A 19 10.314 -7.917 -5.216 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.738 -9.187 -2.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 10.388 -10.491 -3.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.654 -11.363 -1.988 1.00 0.00 H new ATOM 0 HH2 TRP A 19 8.973 -12.017 -2.569 1.00 0.00 H new ATOM 278 N MET A 20 2.913 -7.626 -4.453 1.00 0.00 N ATOM 279 CA MET A 20 1.498 -7.396 -4.038 1.00 0.00 C ATOM 280 C MET A 20 1.318 -7.663 -2.542 1.00 0.00 C ATOM 281 O MET A 20 2.155 -8.262 -1.898 1.00 0.00 O ATOM 282 CB MET A 20 0.679 -8.402 -4.849 1.00 0.00 C ATOM 283 CG MET A 20 1.062 -8.312 -6.327 1.00 0.00 C ATOM 284 SD MET A 20 0.242 -6.883 -7.076 1.00 0.00 S ATOM 285 CE MET A 20 -1.329 -7.697 -7.456 1.00 0.00 C ATOM 0 H MET A 20 3.247 -8.584 -4.347 1.00 0.00 H new ATOM 0 HA MET A 20 1.190 -6.366 -4.215 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.857 -9.412 -4.479 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.385 -8.201 -4.727 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.143 -8.219 -6.429 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.771 -9.225 -6.846 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.138 -6.969 -7.402 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.287 -8.119 -8.460 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.510 -8.494 -6.735 1.00 0.00 H new ATOM 295 N ARG A 21 0.217 -7.230 -1.995 1.00 0.00 N ATOM 296 CA ARG A 21 -0.047 -7.461 -0.546 1.00 0.00 C ATOM 297 C ARG A 21 -1.340 -8.266 -0.389 1.00 0.00 C ATOM 298 O ARG A 21 -2.417 -7.787 -0.685 1.00 0.00 O ATOM 299 CB ARG A 21 -0.200 -6.066 0.061 1.00 0.00 C ATOM 300 CG ARG A 21 -0.187 -6.170 1.587 1.00 0.00 C ATOM 301 CD ARG A 21 -0.084 -4.771 2.196 1.00 0.00 C ATOM 302 NE ARG A 21 0.645 -4.966 3.480 1.00 0.00 N ATOM 303 CZ ARG A 21 0.628 -4.031 4.389 1.00 0.00 C ATOM 304 NH1 ARG A 21 0.382 -2.796 4.048 1.00 0.00 N ATOM 305 NH2 ARG A 21 0.857 -4.331 5.637 1.00 0.00 N ATOM 0 H ARG A 21 -0.516 -6.723 -2.491 1.00 0.00 H new ATOM 0 HA ARG A 21 0.749 -8.022 -0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.610 -5.420 -0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.132 -5.612 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.094 -6.663 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.654 -6.782 1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.454 -4.091 1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.071 -4.339 2.363 1.00 0.00 H new ATOM 0 HE ARG A 21 1.158 -5.831 3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.203 -2.563 3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.368 -2.064 4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.049 -5.297 5.902 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.844 -3.600 6.348 1.00 0.00 H new ATOM 319 N VAL A 22 -1.247 -9.488 0.057 1.00 0.00 N ATOM 320 CA VAL A 22 -2.478 -10.317 0.210 1.00 0.00 C ATOM 321 C VAL A 22 -2.770 -10.599 1.686 1.00 0.00 C ATOM 322 O VAL A 22 -1.922 -10.441 2.541 1.00 0.00 O ATOM 323 CB VAL A 22 -2.166 -11.619 -0.524 1.00 0.00 C ATOM 324 CG1 VAL A 22 -3.458 -12.408 -0.741 1.00 0.00 C ATOM 325 CG2 VAL A 22 -1.525 -11.303 -1.879 1.00 0.00 C ATOM 0 H VAL A 22 -0.376 -9.948 0.322 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.358 -9.812 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.475 -12.214 0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.233 -13.337 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.911 -12.636 0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.151 -11.814 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.303 -12.233 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.214 -10.706 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.602 -10.745 -1.723 1.00 0.00 H new ATOM 335 N GLN A 23 -3.967 -11.026 1.983 1.00 0.00 N ATOM 336 CA GLN A 23 -4.330 -11.335 3.395 1.00 0.00 C ATOM 337 C GLN A 23 -4.751 -12.803 3.515 1.00 0.00 C ATOM 338 O GLN A 23 -5.910 -13.138 3.370 1.00 0.00 O ATOM 339 CB GLN A 23 -5.504 -10.411 3.719 1.00 0.00 C ATOM 340 CG GLN A 23 -5.904 -10.589 5.185 1.00 0.00 C ATOM 341 CD GLN A 23 -7.013 -9.597 5.539 1.00 0.00 C ATOM 342 OE1 GLN A 23 -8.181 -9.896 5.390 1.00 0.00 O ATOM 343 NE2 GLN A 23 -6.696 -8.420 6.004 1.00 0.00 N ATOM 0 H GLN A 23 -4.713 -11.175 1.304 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.496 -11.182 4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.227 -9.374 3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.350 -10.639 3.070 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.246 -11.609 5.358 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.040 -10.429 5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.716 -8.168 6.129 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.429 -7.752 6.242 1.00 0.00 H new ATOM 352 N ASP A 24 -3.819 -13.681 3.771 1.00 0.00 N ATOM 353 CA ASP A 24 -4.171 -15.125 3.892 1.00 0.00 C ATOM 354 C ASP A 24 -4.545 -15.471 5.336 1.00 0.00 C ATOM 355 O ASP A 24 -4.520 -14.632 6.213 1.00 0.00 O ATOM 356 CB ASP A 24 -2.911 -15.874 3.471 1.00 0.00 C ATOM 357 CG ASP A 24 -3.221 -16.758 2.262 1.00 0.00 C ATOM 358 OD1 ASP A 24 -4.369 -17.148 2.117 1.00 0.00 O ATOM 359 OD2 ASP A 24 -2.308 -17.029 1.501 1.00 0.00 O ATOM 0 H ASP A 24 -2.831 -13.462 3.901 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.031 -15.389 3.276 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.120 -15.166 3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.545 -16.484 4.297 1.00 0.00 H new ATOM 364 N THR A 25 -4.894 -16.705 5.585 1.00 0.00 N ATOM 365 CA THR A 25 -5.273 -17.110 6.970 1.00 0.00 C ATOM 366 C THR A 25 -4.083 -16.943 7.918 1.00 0.00 C ATOM 367 O THR A 25 -4.243 -16.623 9.079 1.00 0.00 O ATOM 368 CB THR A 25 -5.666 -18.583 6.857 1.00 0.00 C ATOM 369 OG1 THR A 25 -4.666 -19.282 6.129 1.00 0.00 O ATOM 370 CG2 THR A 25 -7.006 -18.704 6.132 1.00 0.00 C ATOM 0 H THR A 25 -4.933 -17.450 4.889 1.00 0.00 H new ATOM 0 HA THR A 25 -6.083 -16.500 7.370 1.00 0.00 H new ATOM 0 HB THR A 25 -5.758 -19.012 7.855 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.915 -20.227 6.057 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.283 -19.755 6.053 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.772 -18.168 6.692 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.919 -18.276 5.133 1.00 0.00 H new ATOM 378 N SER A 26 -2.890 -17.156 7.434 1.00 0.00 N ATOM 379 CA SER A 26 -1.694 -17.007 8.312 1.00 0.00 C ATOM 380 C SER A 26 -1.427 -15.527 8.595 1.00 0.00 C ATOM 381 O SER A 26 -0.783 -15.177 9.564 1.00 0.00 O ATOM 382 CB SER A 26 -0.541 -17.618 7.516 1.00 0.00 C ATOM 383 OG SER A 26 -0.181 -18.866 8.096 1.00 0.00 O ATOM 0 H SER A 26 -2.691 -17.426 6.471 1.00 0.00 H new ATOM 0 HA SER A 26 -1.826 -17.495 9.278 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.836 -17.758 6.476 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.315 -16.943 7.516 1.00 0.00 H new ATOM 0 HG SER A 26 0.557 -19.262 7.588 1.00 0.00 H new ATOM 389 N GLY A 27 -1.918 -14.656 7.758 1.00 0.00 N ATOM 390 CA GLY A 27 -1.692 -13.200 7.979 1.00 0.00 C ATOM 391 C GLY A 27 -1.524 -12.497 6.631 1.00 0.00 C ATOM 392 O GLY A 27 -1.637 -13.106 5.585 1.00 0.00 O ATOM 0 H GLY A 27 -2.466 -14.889 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.533 -12.770 8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.804 -13.048 8.593 1.00 0.00 H new ATOM 396 N THR A 28 -1.255 -11.221 6.646 1.00 0.00 N ATOM 397 CA THR A 28 -1.079 -10.482 5.363 1.00 0.00 C ATOM 398 C THR A 28 0.365 -10.605 4.876 1.00 0.00 C ATOM 399 O THR A 28 1.283 -10.101 5.492 1.00 0.00 O ATOM 400 CB THR A 28 -1.411 -9.027 5.694 1.00 0.00 C ATOM 401 OG1 THR A 28 -2.610 -8.978 6.455 1.00 0.00 O ATOM 402 CG2 THR A 28 -1.595 -8.237 4.397 1.00 0.00 C ATOM 0 H THR A 28 -1.149 -10.658 7.490 1.00 0.00 H new ATOM 0 HA THR A 28 -1.716 -10.875 4.570 1.00 0.00 H new ATOM 0 HB THR A 28 -0.596 -8.590 6.271 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.823 -8.046 6.670 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.832 -7.200 4.633 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.675 -8.275 3.814 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.410 -8.672 3.818 1.00 0.00 H new ATOM 410 N TYR A 29 0.576 -11.269 3.772 1.00 0.00 N ATOM 411 CA TYR A 29 1.963 -11.418 3.251 1.00 0.00 C ATOM 412 C TYR A 29 2.107 -10.676 1.920 1.00 0.00 C ATOM 413 O TYR A 29 1.389 -9.736 1.643 1.00 0.00 O ATOM 414 CB TYR A 29 2.161 -12.923 3.061 1.00 0.00 C ATOM 415 CG TYR A 29 1.294 -13.416 1.928 1.00 0.00 C ATOM 416 CD1 TYR A 29 -0.051 -13.730 2.160 1.00 0.00 C ATOM 417 CD2 TYR A 29 1.836 -13.563 0.646 1.00 0.00 C ATOM 418 CE1 TYR A 29 -0.853 -14.191 1.110 1.00 0.00 C ATOM 419 CE2 TYR A 29 1.034 -14.025 -0.404 1.00 0.00 C ATOM 420 CZ TYR A 29 -0.311 -14.338 -0.172 1.00 0.00 C ATOM 421 OH TYR A 29 -1.101 -14.794 -1.208 1.00 0.00 O ATOM 0 H TYR A 29 -0.150 -11.713 3.210 1.00 0.00 H new ATOM 0 HA TYR A 29 2.707 -10.999 3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.208 -13.137 2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.908 -13.451 3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.469 -13.616 3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.873 -13.320 0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.890 -14.433 1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.452 -14.140 -1.393 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.570 -14.837 -2.030 1.00 0.00 H new ATOM 431 N TYR A 30 3.031 -11.085 1.097 1.00 0.00 N ATOM 432 CA TYR A 30 3.220 -10.393 -0.211 1.00 0.00 C ATOM 433 C TYR A 30 3.354 -11.414 -1.345 1.00 0.00 C ATOM 434 O TYR A 30 3.898 -12.486 -1.169 1.00 0.00 O ATOM 435 CB TYR A 30 4.513 -9.596 -0.048 1.00 0.00 C ATOM 436 CG TYR A 30 4.370 -8.635 1.109 1.00 0.00 C ATOM 437 CD1 TYR A 30 4.467 -9.105 2.426 1.00 0.00 C ATOM 438 CD2 TYR A 30 4.140 -7.276 0.867 1.00 0.00 C ATOM 439 CE1 TYR A 30 4.333 -8.215 3.497 1.00 0.00 C ATOM 440 CE2 TYR A 30 4.006 -6.386 1.938 1.00 0.00 C ATOM 441 CZ TYR A 30 4.102 -6.855 3.254 1.00 0.00 C ATOM 442 OH TYR A 30 3.970 -5.977 4.311 1.00 0.00 O ATOM 0 H TYR A 30 3.663 -11.866 1.271 1.00 0.00 H new ATOM 0 HA TYR A 30 2.374 -9.755 -0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.350 -10.272 0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 30 4.733 -9.048 -0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.645 -10.154 2.614 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.066 -6.914 -0.148 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.408 -8.577 4.512 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.829 -5.337 1.750 1.00 0.00 H new ATOM 0 HH TYR A 30 3.815 -5.072 3.967 1.00 0.00 H new ATOM 452 N TRP A 31 2.858 -11.086 -2.508 1.00 0.00 N ATOM 453 CA TRP A 31 2.953 -12.032 -3.658 1.00 0.00 C ATOM 454 C TRP A 31 3.838 -11.437 -4.758 1.00 0.00 C ATOM 455 O TRP A 31 3.544 -10.396 -5.311 1.00 0.00 O ATOM 456 CB TRP A 31 1.512 -12.195 -4.148 1.00 0.00 C ATOM 457 CG TRP A 31 1.508 -12.765 -5.532 1.00 0.00 C ATOM 458 CD1 TRP A 31 2.476 -13.555 -6.051 1.00 0.00 C ATOM 459 CD2 TRP A 31 0.507 -12.602 -6.578 1.00 0.00 C ATOM 460 NE1 TRP A 31 2.133 -13.887 -7.349 1.00 0.00 N ATOM 461 CE2 TRP A 31 0.928 -13.324 -7.720 1.00 0.00 C ATOM 462 CE3 TRP A 31 -0.713 -11.907 -6.645 1.00 0.00 C ATOM 463 CZ2 TRP A 31 0.165 -13.354 -8.888 1.00 0.00 C ATOM 464 CZ3 TRP A 31 -1.483 -11.934 -7.819 1.00 0.00 C ATOM 465 CH2 TRP A 31 -1.045 -12.656 -8.938 1.00 0.00 C ATOM 0 H TRP A 31 2.390 -10.203 -2.712 1.00 0.00 H new ATOM 0 HA TRP A 31 3.399 -12.987 -3.379 1.00 0.00 H new ATOM 0 HB2 TRP A 31 0.961 -12.850 -3.473 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.004 -11.230 -4.141 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.370 -13.874 -5.536 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.701 -14.476 -7.958 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -1.060 -11.349 -5.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 0.507 -13.912 -9.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.418 -11.395 -7.860 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.642 -12.673 -9.838 1.00 0.00 H new ATOM 476 N HIS A 32 4.920 -12.092 -5.080 1.00 0.00 N ATOM 477 CA HIS A 32 5.825 -11.566 -6.143 1.00 0.00 C ATOM 478 C HIS A 32 5.267 -11.901 -7.531 1.00 0.00 C ATOM 479 O HIS A 32 5.239 -13.042 -7.947 1.00 0.00 O ATOM 480 CB HIS A 32 7.162 -12.267 -5.905 1.00 0.00 C ATOM 481 CG HIS A 32 8.288 -11.321 -6.225 1.00 0.00 C ATOM 482 ND1 HIS A 32 9.616 -11.658 -6.022 1.00 0.00 N ATOM 483 CD2 HIS A 32 8.299 -10.045 -6.732 1.00 0.00 C ATOM 484 CE1 HIS A 32 10.366 -10.607 -6.400 1.00 0.00 C ATOM 485 NE2 HIS A 32 9.612 -9.596 -6.842 1.00 0.00 N ATOM 0 H HIS A 32 5.217 -12.969 -4.653 1.00 0.00 H new ATOM 0 HA HIS A 32 5.926 -10.481 -6.104 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.233 -12.596 -4.868 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.233 -13.158 -6.528 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.422 -9.476 -7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.445 -10.583 -6.352 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.930 -8.690 -7.186 1.00 0.00 H new ATOM 493 N ILE A 33 4.814 -10.905 -8.235 1.00 0.00 N ATOM 494 CA ILE A 33 4.241 -11.121 -9.595 1.00 0.00 C ATOM 495 C ILE A 33 5.312 -11.527 -10.626 1.00 0.00 C ATOM 496 O ILE A 33 5.051 -12.348 -11.482 1.00 0.00 O ATOM 497 CB ILE A 33 3.635 -9.768 -9.969 1.00 0.00 C ATOM 498 CG1 ILE A 33 2.635 -9.344 -8.890 1.00 0.00 C ATOM 499 CG2 ILE A 33 2.913 -9.884 -11.314 1.00 0.00 C ATOM 500 CD1 ILE A 33 1.958 -8.036 -9.305 1.00 0.00 C ATOM 0 H ILE A 33 4.815 -9.934 -7.923 1.00 0.00 H new ATOM 0 HA ILE A 33 3.516 -11.935 -9.593 1.00 0.00 H new ATOM 0 HB ILE A 33 4.428 -9.024 -10.046 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.887 -10.123 -8.747 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.147 -9.214 -7.936 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.481 -8.919 -11.580 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.623 -10.188 -12.083 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.120 -10.628 -11.238 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.246 -7.735 -8.536 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.712 -7.258 -9.426 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.433 -8.182 -10.249 1.00 0.00 H new ATOM 512 N PRO A 34 6.475 -10.921 -10.542 1.00 0.00 N ATOM 513 CA PRO A 34 7.552 -11.223 -11.521 1.00 0.00 C ATOM 514 C PRO A 34 8.185 -12.597 -11.270 1.00 0.00 C ATOM 515 O PRO A 34 8.273 -13.417 -12.162 1.00 0.00 O ATOM 516 CB PRO A 34 8.565 -10.105 -11.298 1.00 0.00 C ATOM 517 CG PRO A 34 8.340 -9.642 -9.895 1.00 0.00 C ATOM 518 CD PRO A 34 6.899 -9.923 -9.551 1.00 0.00 C ATOM 0 HA PRO A 34 7.180 -11.266 -12.544 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.585 -10.465 -11.434 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.416 -9.292 -12.009 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.007 -10.163 -9.208 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.556 -8.577 -9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.800 -10.305 -8.535 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.292 -9.020 -9.612 1.00 0.00 H new ATOM 526 N THR A 35 8.636 -12.857 -10.075 1.00 0.00 N ATOM 527 CA THR A 35 9.271 -14.180 -9.798 1.00 0.00 C ATOM 528 C THR A 35 8.206 -15.212 -9.420 1.00 0.00 C ATOM 529 O THR A 35 8.417 -16.403 -9.527 1.00 0.00 O ATOM 530 CB THR A 35 10.217 -13.929 -8.623 1.00 0.00 C ATOM 531 OG1 THR A 35 9.457 -13.585 -7.474 1.00 0.00 O ATOM 532 CG2 THR A 35 11.172 -12.789 -8.972 1.00 0.00 C ATOM 0 H THR A 35 8.594 -12.217 -9.282 1.00 0.00 H new ATOM 0 HA THR A 35 9.797 -14.574 -10.667 1.00 0.00 H new ATOM 0 HB THR A 35 10.795 -14.830 -8.418 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.932 -12.899 -6.961 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.846 -12.610 -8.135 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.753 -13.058 -9.854 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.599 -11.884 -9.176 1.00 0.00 H new ATOM 540 N GLY A 36 7.065 -14.762 -8.980 1.00 0.00 N ATOM 541 CA GLY A 36 5.985 -15.715 -8.596 1.00 0.00 C ATOM 542 C GLY A 36 6.239 -16.242 -7.182 1.00 0.00 C ATOM 543 O GLY A 36 5.406 -16.907 -6.600 1.00 0.00 O ATOM 0 H GLY A 36 6.832 -13.775 -8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.016 -15.218 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.951 -16.544 -9.303 1.00 0.00 H new ATOM 547 N THR A 37 7.382 -15.950 -6.623 1.00 0.00 N ATOM 548 CA THR A 37 7.682 -16.437 -5.246 1.00 0.00 C ATOM 549 C THR A 37 6.821 -15.695 -4.226 1.00 0.00 C ATOM 550 O THR A 37 6.267 -14.654 -4.508 1.00 0.00 O ATOM 551 CB THR A 37 9.156 -16.110 -5.018 1.00 0.00 C ATOM 552 OG1 THR A 37 9.923 -16.582 -6.118 1.00 0.00 O ATOM 553 CG2 THR A 37 9.635 -16.777 -3.730 1.00 0.00 C ATOM 0 H THR A 37 8.120 -15.397 -7.059 1.00 0.00 H new ATOM 0 HA THR A 37 7.474 -17.501 -5.136 1.00 0.00 H new ATOM 0 HB THR A 37 9.279 -15.031 -4.930 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.869 -16.370 -5.972 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.687 -16.543 -3.569 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.048 -16.408 -2.889 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.512 -17.857 -3.812 1.00 0.00 H new ATOM 561 N THR A 38 6.714 -16.219 -3.040 1.00 0.00 N ATOM 562 CA THR A 38 5.896 -15.539 -1.996 1.00 0.00 C ATOM 563 C THR A 38 6.761 -15.213 -0.775 1.00 0.00 C ATOM 564 O THR A 38 7.690 -15.927 -0.453 1.00 0.00 O ATOM 565 CB THR A 38 4.797 -16.538 -1.629 1.00 0.00 C ATOM 566 OG1 THR A 38 5.170 -17.835 -2.075 1.00 0.00 O ATOM 567 CG2 THR A 38 3.486 -16.115 -2.296 1.00 0.00 C ATOM 0 H THR A 38 7.157 -17.089 -2.746 1.00 0.00 H new ATOM 0 HA THR A 38 5.480 -14.596 -2.350 1.00 0.00 H new ATOM 0 HB THR A 38 4.661 -16.556 -0.548 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.468 -18.477 -1.839 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.700 -16.825 -2.037 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.206 -15.120 -1.949 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.617 -16.098 -3.378 1.00 0.00 H new ATOM 575 N GLN A 39 6.461 -14.143 -0.095 1.00 0.00 N ATOM 576 CA GLN A 39 7.264 -13.774 1.107 1.00 0.00 C ATOM 577 C GLN A 39 6.346 -13.197 2.187 1.00 0.00 C ATOM 578 O GLN A 39 5.138 -13.243 2.074 1.00 0.00 O ATOM 579 CB GLN A 39 8.252 -12.718 0.611 1.00 0.00 C ATOM 580 CG GLN A 39 9.198 -13.350 -0.414 1.00 0.00 C ATOM 581 CD GLN A 39 10.437 -12.469 -0.581 1.00 0.00 C ATOM 582 OE1 GLN A 39 10.347 -11.258 -0.530 1.00 0.00 O ATOM 583 NE2 GLN A 39 11.599 -13.029 -0.783 1.00 0.00 N ATOM 0 H GLN A 39 5.695 -13.507 -0.318 1.00 0.00 H new ATOM 0 HA GLN A 39 7.776 -14.629 1.549 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.714 -11.884 0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.822 -12.315 1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.490 -14.348 -0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.689 -13.465 -1.371 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.675 -14.045 -0.826 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.431 -12.450 -0.898 1.00 0.00 H new ATOM 592 N TRP A 40 6.905 -12.656 3.236 1.00 0.00 N ATOM 593 CA TRP A 40 6.052 -12.084 4.318 1.00 0.00 C ATOM 594 C TRP A 40 6.609 -10.734 4.781 1.00 0.00 C ATOM 595 O TRP A 40 6.079 -10.112 5.680 1.00 0.00 O ATOM 596 CB TRP A 40 6.119 -13.104 5.455 1.00 0.00 C ATOM 597 CG TRP A 40 5.303 -14.306 5.099 1.00 0.00 C ATOM 598 CD1 TRP A 40 5.759 -15.379 4.413 1.00 0.00 C ATOM 599 CD2 TRP A 40 3.903 -14.576 5.400 1.00 0.00 C ATOM 600 NE1 TRP A 40 4.728 -16.290 4.272 1.00 0.00 N ATOM 601 CE2 TRP A 40 3.564 -15.842 4.863 1.00 0.00 C ATOM 602 CE3 TRP A 40 2.904 -13.854 6.077 1.00 0.00 C ATOM 603 CZ2 TRP A 40 2.279 -16.372 4.996 1.00 0.00 C ATOM 604 CZ3 TRP A 40 1.611 -14.384 6.212 1.00 0.00 C ATOM 605 CH2 TRP A 40 1.300 -15.641 5.673 1.00 0.00 C ATOM 0 H TRP A 40 7.911 -12.585 3.390 1.00 0.00 H new ATOM 0 HA TRP A 40 5.030 -11.907 3.983 1.00 0.00 H new ATOM 0 HB2 TRP A 40 7.154 -13.395 5.636 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.747 -12.660 6.378 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.764 -15.504 4.037 1.00 0.00 H new ATOM 0 HE1 TRP A 40 4.817 -17.184 3.790 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.133 -12.885 6.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.044 -17.340 4.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.852 -13.821 6.734 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.304 -16.044 5.781 1.00 0.00 H new ATOM 616 N GLU A 41 7.670 -10.276 4.176 1.00 0.00 N ATOM 617 CA GLU A 41 8.253 -8.967 4.586 1.00 0.00 C ATOM 618 C GLU A 41 8.241 -7.987 3.409 1.00 0.00 C ATOM 619 O GLU A 41 8.141 -8.387 2.266 1.00 0.00 O ATOM 620 CB GLU A 41 9.689 -9.285 5.003 1.00 0.00 C ATOM 621 CG GLU A 41 9.691 -10.480 5.958 1.00 0.00 C ATOM 622 CD GLU A 41 10.932 -10.415 6.851 1.00 0.00 C ATOM 623 OE1 GLU A 41 11.374 -9.315 7.137 1.00 0.00 O ATOM 624 OE2 GLU A 41 11.417 -11.467 7.234 1.00 0.00 O ATOM 0 H GLU A 41 8.158 -10.751 3.416 1.00 0.00 H new ATOM 0 HA GLU A 41 7.688 -8.500 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.293 -9.508 4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.139 -8.418 5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.789 -10.472 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.685 -11.412 5.392 1.00 0.00 H new ATOM 631 N PRO A 42 8.342 -6.728 3.737 1.00 0.00 N ATOM 632 CA PRO A 42 8.344 -5.665 2.702 1.00 0.00 C ATOM 633 C PRO A 42 9.674 -5.661 1.940 1.00 0.00 C ATOM 634 O PRO A 42 10.705 -5.334 2.493 1.00 0.00 O ATOM 635 CB PRO A 42 8.178 -4.381 3.510 1.00 0.00 C ATOM 636 CG PRO A 42 8.700 -4.710 4.873 1.00 0.00 C ATOM 637 CD PRO A 42 8.462 -6.182 5.093 1.00 0.00 C ATOM 0 HA PRO A 42 7.565 -5.796 1.951 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.735 -3.558 3.062 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.133 -4.073 3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.762 -4.476 4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.190 -4.119 5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.286 -6.643 5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.558 -6.358 5.676 1.00 0.00 H new ATOM 645 N PRO A 43 9.600 -6.023 0.688 1.00 0.00 N ATOM 646 CA PRO A 43 10.814 -6.060 -0.167 1.00 0.00 C ATOM 647 C PRO A 43 11.279 -4.639 -0.497 1.00 0.00 C ATOM 648 O PRO A 43 10.540 -3.845 -1.044 1.00 0.00 O ATOM 649 CB PRO A 43 10.342 -6.786 -1.424 1.00 0.00 C ATOM 650 CG PRO A 43 8.864 -6.558 -1.469 1.00 0.00 C ATOM 651 CD PRO A 43 8.396 -6.428 -0.042 1.00 0.00 C ATOM 0 HA PRO A 43 11.662 -6.552 0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.830 -6.391 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.576 -7.849 -1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.630 -5.657 -2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.361 -7.387 -1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.603 -5.686 0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.998 -7.370 0.335 1.00 0.00 H new ATOM 659 N GLY A 44 12.500 -4.314 -0.170 1.00 0.00 N ATOM 660 CA GLY A 44 13.012 -2.946 -0.466 1.00 0.00 C ATOM 661 C GLY A 44 14.538 -2.933 -0.349 1.00 0.00 C ATOM 662 O GLY A 44 15.127 -1.972 0.103 1.00 0.00 O ATOM 0 H GLY A 44 13.165 -4.936 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.711 -2.643 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.578 -2.226 0.228 1.00 0.00 H new ATOM 666 N ARG A 45 15.182 -3.995 -0.752 1.00 0.00 N ATOM 667 CA ARG A 45 16.670 -4.042 -0.663 1.00 0.00 C ATOM 668 C ARG A 45 17.263 -4.610 -1.956 1.00 0.00 C ATOM 669 O ARG A 45 17.524 -5.792 -2.065 1.00 0.00 O ATOM 670 CB ARG A 45 16.966 -4.971 0.515 1.00 0.00 C ATOM 671 CG ARG A 45 18.094 -4.379 1.363 1.00 0.00 C ATOM 672 CD ARG A 45 19.376 -4.306 0.529 1.00 0.00 C ATOM 673 NE ARG A 45 20.446 -4.828 1.424 1.00 0.00 N ATOM 674 CZ ARG A 45 21.466 -5.466 0.918 1.00 0.00 C ATOM 675 NH1 ARG A 45 21.718 -5.384 -0.361 1.00 0.00 N ATOM 676 NH2 ARG A 45 22.235 -6.185 1.689 1.00 0.00 N ATOM 0 H ARG A 45 14.743 -4.831 -1.138 1.00 0.00 H new ATOM 0 HA ARG A 45 17.106 -3.053 -0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 45 16.070 -5.102 1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 45 17.251 -5.958 0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.817 -3.384 1.712 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.258 -4.993 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.292 -4.905 -0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.586 -3.283 0.217 1.00 0.00 H new ATOM 0 HE ARG A 45 20.382 -4.687 2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.118 -4.821 -0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.515 -5.882 -0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.039 -6.249 2.688 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.032 -6.683 1.293 1.00 0.00 H new ATOM 690 N ALA A 46 17.479 -3.776 -2.938 1.00 0.00 N ATOM 691 CA ALA A 46 18.056 -4.268 -4.222 1.00 0.00 C ATOM 692 C ALA A 46 17.257 -5.469 -4.738 1.00 0.00 C ATOM 693 O ALA A 46 16.296 -5.895 -4.128 1.00 0.00 O ATOM 694 CB ALA A 46 19.487 -4.684 -3.880 1.00 0.00 C ATOM 0 H ALA A 46 17.281 -2.776 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 46 18.027 -3.509 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.981 -5.059 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.035 -3.823 -3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.467 -5.467 -3.122 1.00 0.00 H new ATOM 700 N SER A 47 17.646 -6.018 -5.857 1.00 0.00 N ATOM 701 CA SER A 47 16.907 -7.189 -6.409 1.00 0.00 C ATOM 702 C SER A 47 17.257 -8.455 -5.624 1.00 0.00 C ATOM 703 O SER A 47 16.386 -9.124 -5.106 1.00 0.00 O ATOM 704 CB SER A 47 17.372 -7.306 -7.859 1.00 0.00 C ATOM 705 OG SER A 47 16.243 -7.234 -8.721 1.00 0.00 O ATOM 0 H SER A 47 18.443 -5.706 -6.412 1.00 0.00 H new ATOM 0 HA SER A 47 15.826 -7.065 -6.340 1.00 0.00 H new ATOM 0 HB2 SER A 47 18.075 -6.506 -8.093 1.00 0.00 H new ATOM 0 HB3 SER A 47 17.899 -8.248 -8.009 1.00 0.00 H new ATOM 0 HG SER A 47 16.538 -7.307 -9.653 1.00 0.00 H new ATOM 711 N PRO A 48 18.531 -8.743 -5.562 1.00 0.00 N ATOM 712 CA PRO A 48 19.003 -9.943 -4.829 1.00 0.00 C ATOM 713 C PRO A 48 18.916 -9.710 -3.318 1.00 0.00 C ATOM 714 O PRO A 48 19.493 -8.781 -2.790 1.00 0.00 O ATOM 715 CB PRO A 48 20.455 -10.086 -5.274 1.00 0.00 C ATOM 716 CG PRO A 48 20.874 -8.710 -5.685 1.00 0.00 C ATOM 717 CD PRO A 48 19.638 -7.988 -6.159 1.00 0.00 C ATOM 0 HA PRO A 48 18.410 -10.834 -5.035 1.00 0.00 H new ATOM 0 HB2 PRO A 48 21.080 -10.463 -4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 48 20.546 -10.790 -6.102 1.00 0.00 H new ATOM 0 HG2 PRO A 48 21.331 -8.181 -4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 48 21.620 -8.756 -6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 48 19.634 -6.948 -5.832 1.00 0.00 H new ATOM 0 HD3 PRO A 48 19.574 -7.980 -7.247 1.00 0.00 H new ATOM 725 N SER A 49 18.199 -10.546 -2.620 1.00 0.00 N ATOM 726 CA SER A 49 18.078 -10.370 -1.145 1.00 0.00 C ATOM 727 C SER A 49 17.969 -11.732 -0.457 1.00 0.00 C ATOM 728 O SER A 49 16.988 -12.435 -0.599 1.00 0.00 O ATOM 729 CB SER A 49 16.795 -9.563 -0.946 1.00 0.00 C ATOM 730 OG SER A 49 15.859 -9.914 -1.957 1.00 0.00 O ATOM 0 H SER A 49 17.692 -11.343 -3.006 1.00 0.00 H new ATOM 0 HA SER A 49 18.945 -9.868 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.375 -9.763 0.040 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.012 -8.496 -0.990 1.00 0.00 H new ATOM 0 HG SER A 49 15.034 -9.400 -1.832 1.00 0.00 H new ATOM 736 N GLN A 50 18.972 -12.113 0.287 1.00 0.00 N ATOM 737 CA GLN A 50 18.927 -13.430 0.985 1.00 0.00 C ATOM 738 C GLN A 50 19.340 -13.266 2.449 1.00 0.00 C ATOM 739 O GLN A 50 20.381 -13.788 2.813 1.00 0.00 O ATOM 740 CB GLN A 50 19.932 -14.307 0.238 1.00 0.00 C ATOM 741 CG GLN A 50 19.224 -15.041 -0.901 1.00 0.00 C ATOM 742 CD GLN A 50 19.999 -14.834 -2.203 1.00 0.00 C ATOM 743 OE1 GLN A 50 19.443 -14.402 -3.194 1.00 0.00 O ATOM 744 NE2 GLN A 50 21.270 -15.126 -2.245 1.00 0.00 N ATOM 745 OXT GLN A 50 18.609 -12.620 3.182 1.00 0.00 O ATOM 0 H GLN A 50 19.821 -11.569 0.442 1.00 0.00 H new ATOM 0 HA GLN A 50 17.928 -13.865 0.985 1.00 0.00 H new ATOM 0 HB2 GLN A 50 20.741 -13.694 -0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.383 -15.025 0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.153 -16.105 -0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.205 -14.669 -1.009 1.00 0.00 H new ATOM 0 HE21 GLN A 50 21.738 -15.489 -1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 50 21.796 -14.992 -3.109 1.00 0.00 H new TER 754 GLN A 50