USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 309 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 Single : A 1 GLY N :NH3+ -123:sc= 0.0782 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0093 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 0.955 (180deg=0.732) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 31 SER OG : rot -95:sc= 0.154 USER MOD Single : A 34 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.2) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.474 -8.316 7.012 1.00 62.42 N ATOM 2 CA GLY A 1 -17.854 -7.054 7.623 1.00 44.23 C ATOM 3 C GLY A 1 -17.500 -5.862 6.757 1.00 50.31 C ATOM 4 O GLY A 1 -16.910 -6.015 5.687 1.00 63.51 O ATOM 0 H1 GLY A 1 -18.312 -8.926 6.925 1.00 62.42 H new ATOM 0 H2 GLY A 1 -17.076 -8.139 6.068 1.00 62.42 H new ATOM 0 H3 GLY A 1 -16.762 -8.788 7.605 1.00 62.42 H new ATOM 0 HA2 GLY A 1 -18.927 -7.055 7.814 1.00 44.23 H new ATOM 0 HA3 GLY A 1 -17.358 -6.958 8.589 1.00 44.23 H new ATOM 8 N THR A 2 -17.861 -4.668 7.218 1.00 34.41 N ATOM 9 CA THR A 2 -17.583 -3.444 6.477 1.00 54.52 C ATOM 10 C THR A 2 -16.083 -3.257 6.272 1.00 21.14 C ATOM 11 O THR A 2 -15.658 -2.490 5.408 1.00 61.54 O ATOM 12 CB THR A 2 -18.147 -2.208 7.201 1.00 4.04 C ATOM 13 OG1 THR A 2 -17.872 -2.291 8.603 1.00 72.33 O ATOM 14 CG2 THR A 2 -19.649 -2.091 6.980 1.00 42.41 C ATOM 0 H THR A 2 -18.347 -4.523 8.103 1.00 34.41 H new ATOM 0 HA THR A 2 -18.072 -3.542 5.508 1.00 54.52 H new ATOM 0 HB THR A 2 -17.663 -1.322 6.789 1.00 4.04 H new ATOM 0 HG1 THR A 2 -18.233 -1.500 9.055 1.00 72.33 H new ATOM 0 HG21 THR A 2 -20.026 -1.211 7.501 1.00 42.41 H new ATOM 0 HG22 THR A 2 -19.854 -1.997 5.913 1.00 42.41 H new ATOM 0 HG23 THR A 2 -20.144 -2.981 7.367 1.00 42.41 H new ATOM 22 N TRP A 3 -15.290 -3.963 7.068 1.00 11.21 N ATOM 23 CA TRP A 3 -13.837 -3.874 6.971 1.00 40.42 C ATOM 24 C TRP A 3 -13.373 -4.073 5.532 1.00 50.41 C ATOM 25 O TRP A 3 -12.340 -3.544 5.124 1.00 73.43 O ATOM 26 CB TRP A 3 -13.180 -4.914 7.881 1.00 32.31 C ATOM 27 CG TRP A 3 -13.660 -4.849 9.300 1.00 3.14 C ATOM 28 CD1 TRP A 3 -14.636 -5.617 9.870 1.00 2.34 C ATOM 29 CD2 TRP A 3 -13.187 -3.970 10.324 1.00 42.45 C ATOM 30 NE1 TRP A 3 -14.797 -5.266 11.189 1.00 61.44 N ATOM 31 CE2 TRP A 3 -13.920 -4.259 11.493 1.00 3.13 C ATOM 32 CE3 TRP A 3 -12.213 -2.967 10.371 1.00 14.04 C ATOM 33 CZ2 TRP A 3 -13.710 -3.580 12.690 1.00 44.45 C ATOM 34 CZ3 TRP A 3 -12.006 -2.295 11.561 1.00 0.02 C ATOM 35 CH2 TRP A 3 -12.752 -2.604 12.708 1.00 5.52 C ATOM 0 H TRP A 3 -15.627 -4.603 7.787 1.00 11.21 H new ATOM 0 HA TRP A 3 -13.537 -2.877 7.294 1.00 40.42 H new ATOM 0 HB2 TRP A 3 -13.376 -5.910 7.484 1.00 32.31 H new ATOM 0 HB3 TRP A 3 -12.100 -4.771 7.863 1.00 32.31 H new ATOM 0 HD1 TRP A 3 -15.197 -6.386 9.360 1.00 2.34 H new ATOM 0 HE1 TRP A 3 -15.462 -5.688 11.837 1.00 61.44 H new ATOM 0 HE3 TRP A 3 -11.633 -2.722 9.493 1.00 14.04 H new ATOM 0 HZ2 TRP A 3 -14.284 -3.816 13.574 1.00 44.45 H new ATOM 0 HZ3 TRP A 3 -11.257 -1.519 11.609 1.00 0.02 H new ATOM 0 HH2 TRP A 3 -12.566 -2.061 13.623 1.00 5.52 H new ATOM 46 N ASP A 4 -14.144 -4.841 4.769 1.00 0.02 N ATOM 47 CA ASP A 4 -13.812 -5.109 3.374 1.00 14.24 C ATOM 48 C ASP A 4 -13.798 -3.819 2.561 1.00 22.23 C ATOM 49 O ASP A 4 -12.848 -3.547 1.826 1.00 74.53 O ATOM 50 CB ASP A 4 -14.813 -6.096 2.771 1.00 14.23 C ATOM 51 CG ASP A 4 -14.788 -6.091 1.254 1.00 14.31 C ATOM 52 OD1 ASP A 4 -15.792 -5.666 0.646 1.00 73.14 O ATOM 53 OD2 ASP A 4 -13.765 -6.514 0.677 1.00 50.13 O ATOM 0 H ASP A 4 -15.002 -5.288 5.092 1.00 0.02 H new ATOM 0 HA ASP A 4 -12.815 -5.548 3.341 1.00 14.24 H new ATOM 0 HB2 ASP A 4 -14.591 -7.100 3.132 1.00 14.23 H new ATOM 0 HB3 ASP A 4 -15.817 -5.848 3.116 1.00 14.23 H new ATOM 59 N ASP A 5 -14.856 -3.028 2.695 1.00 52.13 N ATOM 60 CA ASP A 5 -14.966 -1.767 1.973 1.00 61.01 C ATOM 61 C ASP A 5 -14.126 -0.684 2.642 1.00 61.53 C ATOM 62 O ASP A 5 -13.410 0.060 1.972 1.00 43.55 O ATOM 63 CB ASP A 5 -16.427 -1.322 1.899 1.00 33.14 C ATOM 64 CG ASP A 5 -16.632 -0.158 0.951 1.00 72.44 C ATOM 65 OD1 ASP A 5 -15.622 0.394 0.463 1.00 32.21 O ATOM 66 OD2 ASP A 5 -17.799 0.204 0.695 1.00 13.32 O ATOM 0 H ASP A 5 -15.651 -3.238 3.298 1.00 52.13 H new ATOM 0 HA ASP A 5 -14.590 -1.922 0.962 1.00 61.01 H new ATOM 0 HB2 ASP A 5 -17.043 -2.161 1.577 1.00 33.14 H new ATOM 0 HB3 ASP A 5 -16.768 -1.040 2.895 1.00 33.14 H new ATOM 72 N ILE A 6 -14.220 -0.600 3.965 1.00 53.31 N ATOM 73 CA ILE A 6 -13.469 0.391 4.724 1.00 23.25 C ATOM 74 C ILE A 6 -11.967 0.197 4.544 1.00 33.00 C ATOM 75 O ILE A 6 -11.193 1.151 4.632 1.00 2.13 O ATOM 76 CB ILE A 6 -13.808 0.328 6.224 1.00 43.02 C ATOM 77 CG1 ILE A 6 -15.318 0.460 6.435 1.00 3.15 C ATOM 78 CG2 ILE A 6 -13.066 1.419 6.981 1.00 75.04 C ATOM 79 CD1 ILE A 6 -15.759 0.157 7.848 1.00 73.53 C ATOM 0 H ILE A 6 -14.810 -1.208 4.534 1.00 53.31 H new ATOM 0 HA ILE A 6 -13.756 1.369 4.337 1.00 23.25 H new ATOM 0 HB ILE A 6 -13.489 -0.639 6.612 1.00 43.02 H new ATOM 0 HG12 ILE A 6 -15.626 1.473 6.176 1.00 3.15 H new ATOM 0 HG13 ILE A 6 -15.833 -0.214 5.750 1.00 3.15 H new ATOM 0 HG21 ILE A 6 -13.316 1.361 8.040 1.00 75.04 H new ATOM 0 HG22 ILE A 6 -11.992 1.284 6.854 1.00 75.04 H new ATOM 0 HG23 ILE A 6 -13.358 2.395 6.592 1.00 75.04 H new ATOM 0 HD11 ILE A 6 -16.840 0.271 7.924 1.00 73.53 H new ATOM 0 HD12 ILE A 6 -15.483 -0.866 8.104 1.00 73.53 H new ATOM 0 HD13 ILE A 6 -15.272 0.847 8.537 1.00 73.53 H new ATOM 91 N GLY A 7 -11.561 -1.043 4.292 1.00 3.41 N ATOM 92 CA GLY A 7 -10.153 -1.339 4.103 1.00 22.41 C ATOM 93 C GLY A 7 -9.664 -0.970 2.716 1.00 2.01 C ATOM 94 O GLY A 7 -8.502 -0.609 2.538 1.00 25.02 O ATOM 0 H GLY A 7 -12.182 -1.848 4.215 1.00 3.41 H new ATOM 0 HA2 GLY A 7 -9.568 -0.798 4.847 1.00 22.41 H new ATOM 0 HA3 GLY A 7 -9.982 -2.402 4.274 1.00 22.41 H new ATOM 98 N GLN A 8 -10.553 -1.062 1.732 1.00 51.24 N ATOM 99 CA GLN A 8 -10.205 -0.737 0.354 1.00 11.24 C ATOM 100 C GLN A 8 -9.851 0.742 0.216 1.00 31.04 C ATOM 101 O GLN A 8 -9.079 1.127 -0.659 1.00 11.35 O ATOM 102 CB GLN A 8 -11.361 -1.086 -0.584 1.00 72.13 C ATOM 103 CG GLN A 8 -11.255 -2.477 -1.187 1.00 73.22 C ATOM 104 CD GLN A 8 -10.356 -2.516 -2.407 1.00 0.41 C ATOM 105 OE1 GLN A 8 -9.153 -2.756 -2.298 1.00 3.42 O ATOM 106 NE2 GLN A 8 -10.936 -2.281 -3.579 1.00 32.42 N ATOM 0 H GLN A 8 -11.520 -1.359 1.864 1.00 51.24 H new ATOM 0 HA GLN A 8 -9.332 -1.329 0.078 1.00 11.24 H new ATOM 0 HB2 GLN A 8 -12.300 -1.007 -0.036 1.00 72.13 H new ATOM 0 HB3 GLN A 8 -11.399 -0.352 -1.389 1.00 72.13 H new ATOM 0 HG2 GLN A 8 -10.871 -3.167 -0.435 1.00 73.22 H new ATOM 0 HG3 GLN A 8 -12.250 -2.827 -1.462 1.00 73.22 H new ATOM 0 HE21 GLN A 8 -11.936 -2.086 -3.623 1.00 32.42 H new ATOM 0 HE22 GLN A 8 -10.381 -2.295 -4.435 1.00 32.42 H new ATOM 115 N GLY A 9 -10.425 1.564 1.089 1.00 23.42 N ATOM 116 CA GLY A 9 -10.159 2.990 1.048 1.00 5.33 C ATOM 117 C GLY A 9 -8.767 3.336 1.539 1.00 22.02 C ATOM 118 O GLY A 9 -8.065 4.137 0.922 1.00 64.43 O ATOM 0 H GLY A 9 -11.069 1.268 1.823 1.00 23.42 H new ATOM 0 HA2 GLY A 9 -10.280 3.350 0.026 1.00 5.33 H new ATOM 0 HA3 GLY A 9 -10.896 3.511 1.659 1.00 5.33 H new ATOM 122 N ILE A 10 -8.367 2.730 2.651 1.00 35.42 N ATOM 123 CA ILE A 10 -7.049 2.980 3.225 1.00 33.03 C ATOM 124 C ILE A 10 -5.952 2.785 2.186 1.00 24.55 C ATOM 125 O ILE A 10 -4.900 3.419 2.253 1.00 64.30 O ATOM 126 CB ILE A 10 -6.775 2.053 4.424 1.00 70.14 C ATOM 127 CG1 ILE A 10 -7.844 2.246 5.502 1.00 14.01 C ATOM 128 CG2 ILE A 10 -5.388 2.319 4.992 1.00 35.21 C ATOM 129 CD1 ILE A 10 -7.775 1.220 6.611 1.00 70.41 C ATOM 0 H ILE A 10 -8.935 2.063 3.173 1.00 35.42 H new ATOM 0 HA ILE A 10 -7.043 4.015 3.566 1.00 33.03 H new ATOM 0 HB ILE A 10 -6.815 1.019 4.081 1.00 70.14 H new ATOM 0 HG12 ILE A 10 -7.739 3.242 5.932 1.00 14.01 H new ATOM 0 HG13 ILE A 10 -8.829 2.202 5.038 1.00 14.01 H new ATOM 0 HG21 ILE A 10 -5.208 1.657 5.839 1.00 35.21 H new ATOM 0 HG22 ILE A 10 -4.638 2.136 4.222 1.00 35.21 H new ATOM 0 HG23 ILE A 10 -5.323 3.356 5.322 1.00 35.21 H new ATOM 0 HD11 ILE A 10 -8.562 1.418 7.339 1.00 70.41 H new ATOM 0 HD12 ILE A 10 -7.910 0.223 6.193 1.00 70.41 H new ATOM 0 HD13 ILE A 10 -6.803 1.279 7.101 1.00 70.41 H new ATOM 141 N GLY A 11 -6.206 1.907 1.220 1.00 13.40 N ATOM 142 CA GLY A 11 -5.231 1.646 0.179 1.00 3.43 C ATOM 143 C GLY A 11 -4.956 2.866 -0.677 1.00 62.43 C ATOM 144 O GLY A 11 -3.804 3.253 -0.868 1.00 45.25 O ATOM 0 H GLY A 11 -7.071 1.372 1.141 1.00 13.40 H new ATOM 0 HA2 GLY A 11 -4.300 1.308 0.634 1.00 3.43 H new ATOM 0 HA3 GLY A 11 -5.589 0.835 -0.455 1.00 3.43 H new ATOM 148 N ARG A 12 -6.019 3.476 -1.194 1.00 10.14 N ATOM 149 CA ARG A 12 -5.886 4.658 -2.036 1.00 1.21 C ATOM 150 C ARG A 12 -5.614 5.899 -1.192 1.00 71.41 C ATOM 151 O ARG A 12 -4.912 6.815 -1.622 1.00 30.42 O ATOM 152 CB ARG A 12 -7.154 4.863 -2.869 1.00 44.55 C ATOM 153 CG ARG A 12 -7.492 3.681 -3.762 1.00 3.44 C ATOM 154 CD ARG A 12 -6.920 3.859 -5.159 1.00 3.43 C ATOM 155 NE ARG A 12 -5.649 3.158 -5.324 1.00 63.34 N ATOM 156 CZ ARG A 12 -4.942 3.171 -6.449 1.00 14.52 C ATOM 157 NH1 ARG A 12 -5.381 3.844 -7.503 1.00 11.04 N ATOM 158 NH2 ARG A 12 -3.795 2.507 -6.520 1.00 60.13 N ATOM 0 H ARG A 12 -6.981 3.171 -1.044 1.00 10.14 H new ATOM 0 HA ARG A 12 -5.040 4.502 -2.706 1.00 1.21 H new ATOM 0 HB2 ARG A 12 -7.992 5.053 -2.199 1.00 44.55 H new ATOM 0 HB3 ARG A 12 -7.033 5.752 -3.488 1.00 44.55 H new ATOM 0 HG2 ARG A 12 -7.099 2.765 -3.320 1.00 3.44 H new ATOM 0 HG3 ARG A 12 -8.574 3.567 -3.822 1.00 3.44 H new ATOM 0 HD2 ARG A 12 -7.636 3.490 -5.893 1.00 3.43 H new ATOM 0 HD3 ARG A 12 -6.777 4.921 -5.359 1.00 3.43 H new ATOM 0 HE ARG A 12 -5.284 2.629 -4.532 1.00 63.34 H new ATOM 0 HH11 ARG A 12 -6.263 4.353 -7.452 1.00 11.04 H new ATOM 0 HH12 ARG A 12 -4.837 3.853 -8.366 1.00 11.04 H new ATOM 0 HH21 ARG A 12 -3.456 1.987 -5.711 1.00 60.13 H new ATOM 0 HH22 ARG A 12 -3.252 2.517 -7.384 1.00 60.13 H new ATOM 172 N VAL A 13 -6.175 5.924 0.013 1.00 53.32 N ATOM 173 CA VAL A 13 -5.992 7.052 0.919 1.00 20.22 C ATOM 174 C VAL A 13 -4.556 7.121 1.428 1.00 55.23 C ATOM 175 O VAL A 13 -3.981 8.201 1.547 1.00 14.25 O ATOM 176 CB VAL A 13 -6.949 6.966 2.122 1.00 62.14 C ATOM 177 CG1 VAL A 13 -6.720 8.132 3.071 1.00 72.24 C ATOM 178 CG2 VAL A 13 -8.395 6.926 1.650 1.00 40.14 C ATOM 0 H VAL A 13 -6.760 5.176 0.384 1.00 53.32 H new ATOM 0 HA VAL A 13 -6.216 7.955 0.350 1.00 20.22 H new ATOM 0 HB VAL A 13 -6.743 6.043 2.664 1.00 62.14 H new ATOM 0 HG11 VAL A 13 -7.405 8.054 3.915 1.00 72.24 H new ATOM 0 HG12 VAL A 13 -5.693 8.109 3.434 1.00 72.24 H new ATOM 0 HG13 VAL A 13 -6.898 9.070 2.545 1.00 72.24 H new ATOM 0 HG21 VAL A 13 -9.058 6.865 2.513 1.00 40.14 H new ATOM 0 HG22 VAL A 13 -8.618 7.830 1.084 1.00 40.14 H new ATOM 0 HG23 VAL A 13 -8.546 6.054 1.014 1.00 40.14 H new ATOM 188 N ALA A 14 -3.984 5.958 1.728 1.00 33.34 N ATOM 189 CA ALA A 14 -2.616 5.887 2.223 1.00 51.12 C ATOM 190 C ALA A 14 -1.657 6.625 1.295 1.00 74.15 C ATOM 191 O ALA A 14 -0.663 7.200 1.743 1.00 15.15 O ATOM 192 CB ALA A 14 -2.186 4.436 2.380 1.00 75.02 C ATOM 0 H ALA A 14 -4.447 5.054 1.636 1.00 33.34 H new ATOM 0 HA ALA A 14 -2.584 6.373 3.198 1.00 51.12 H new ATOM 0 HB1 ALA A 14 -1.162 4.398 2.751 1.00 75.02 H new ATOM 0 HB2 ALA A 14 -2.847 3.935 3.088 1.00 75.02 H new ATOM 0 HB3 ALA A 14 -2.241 3.934 1.414 1.00 75.02 H new ATOM 198 N TYR A 15 -1.961 6.609 0.003 1.00 44.42 N ATOM 199 CA TYR A 15 -1.124 7.274 -0.989 1.00 74.22 C ATOM 200 C TYR A 15 -1.271 8.788 -0.896 1.00 63.15 C ATOM 201 O TYR A 15 -0.333 9.534 -1.184 1.00 31.55 O ATOM 202 CB TYR A 15 -1.489 6.801 -2.396 1.00 35.21 C ATOM 203 CG TYR A 15 -0.679 7.464 -3.488 1.00 21.52 C ATOM 204 CD1 TYR A 15 0.701 7.324 -3.536 1.00 50.41 C ATOM 205 CD2 TYR A 15 -1.295 8.231 -4.469 1.00 55.21 C ATOM 206 CE1 TYR A 15 1.446 7.927 -4.530 1.00 21.21 C ATOM 207 CE2 TYR A 15 -0.559 8.837 -5.468 1.00 55.32 C ATOM 208 CZ TYR A 15 0.812 8.683 -5.495 1.00 52.33 C ATOM 209 OH TYR A 15 1.549 9.285 -6.489 1.00 74.45 O ATOM 0 H TYR A 15 -2.782 6.142 -0.383 1.00 44.42 H new ATOM 0 HA TYR A 15 -0.086 7.014 -0.784 1.00 74.22 H new ATOM 0 HB2 TYR A 15 -1.348 5.722 -2.455 1.00 35.21 H new ATOM 0 HB3 TYR A 15 -2.547 6.994 -2.572 1.00 35.21 H new ATOM 0 HD1 TYR A 15 1.201 6.733 -2.783 1.00 50.41 H new ATOM 0 HD2 TYR A 15 -2.368 8.355 -4.450 1.00 55.21 H new ATOM 0 HE1 TYR A 15 2.519 7.808 -4.552 1.00 21.21 H new ATOM 0 HE2 TYR A 15 -1.054 9.428 -6.224 1.00 55.32 H new ATOM 0 HH TYR A 15 0.950 9.778 -7.087 1.00 74.45 H new ATOM 219 N TRP A 16 -2.453 9.239 -0.490 1.00 42.12 N ATOM 220 CA TRP A 16 -2.724 10.667 -0.358 1.00 15.23 C ATOM 221 C TRP A 16 -2.083 11.226 0.907 1.00 61.13 C ATOM 222 O TRP A 16 -1.468 12.293 0.882 1.00 52.23 O ATOM 223 CB TRP A 16 -4.232 10.920 -0.336 1.00 12.22 C ATOM 224 CG TRP A 16 -4.830 11.067 -1.702 1.00 42.43 C ATOM 225 CD1 TRP A 16 -5.281 10.065 -2.512 1.00 12.54 C ATOM 226 CD2 TRP A 16 -5.038 12.289 -2.419 1.00 43.20 C ATOM 227 NE1 TRP A 16 -5.758 10.587 -3.689 1.00 71.43 N ATOM 228 CE2 TRP A 16 -5.621 11.951 -3.656 1.00 4.13 C ATOM 229 CE3 TRP A 16 -4.792 13.635 -2.136 1.00 40.20 C ATOM 230 CZ2 TRP A 16 -5.959 12.911 -4.607 1.00 21.05 C ATOM 231 CZ3 TRP A 16 -5.127 14.586 -3.080 1.00 43.04 C ATOM 232 CH2 TRP A 16 -5.706 14.222 -4.302 1.00 2.54 C ATOM 0 H TRP A 16 -3.239 8.637 -0.246 1.00 42.12 H new ATOM 0 HA TRP A 16 -2.290 11.176 -1.219 1.00 15.23 H new ATOM 0 HB2 TRP A 16 -4.724 10.096 0.181 1.00 12.22 H new ATOM 0 HB3 TRP A 16 -4.433 11.823 0.240 1.00 12.22 H new ATOM 0 HD1 TRP A 16 -5.265 9.014 -2.263 1.00 12.54 H new ATOM 0 HE1 TRP A 16 -6.150 10.048 -4.461 1.00 71.43 H new ATOM 0 HE3 TRP A 16 -4.348 13.927 -1.196 1.00 40.20 H new ATOM 0 HZ2 TRP A 16 -6.404 12.632 -5.550 1.00 21.05 H new ATOM 0 HZ3 TRP A 16 -4.939 15.629 -2.872 1.00 43.04 H new ATOM 0 HH2 TRP A 16 -5.958 14.990 -5.018 1.00 2.54 H new ATOM 243 N VAL A 17 -2.230 10.500 2.011 1.00 71.24 N ATOM 244 CA VAL A 17 -1.663 10.927 3.286 1.00 52.33 C ATOM 245 C VAL A 17 -0.140 10.887 3.250 1.00 54.12 C ATOM 246 O VAL A 17 0.527 11.722 3.860 1.00 51.22 O ATOM 247 CB VAL A 17 -2.160 10.042 4.444 1.00 15.42 C ATOM 248 CG1 VAL A 17 -1.756 8.592 4.221 1.00 12.22 C ATOM 249 CG2 VAL A 17 -1.627 10.554 5.773 1.00 72.01 C ATOM 0 H VAL A 17 -2.736 9.615 2.049 1.00 71.24 H new ATOM 0 HA VAL A 17 -1.994 11.952 3.453 1.00 52.33 H new ATOM 0 HB VAL A 17 -3.249 10.090 4.473 1.00 15.42 H new ATOM 0 HG11 VAL A 17 -2.116 7.982 5.050 1.00 12.22 H new ATOM 0 HG12 VAL A 17 -2.192 8.232 3.289 1.00 12.22 H new ATOM 0 HG13 VAL A 17 -0.670 8.522 4.164 1.00 12.22 H new ATOM 0 HG21 VAL A 17 -1.988 9.916 6.580 1.00 72.01 H new ATOM 0 HG22 VAL A 17 -0.537 10.538 5.758 1.00 72.01 H new ATOM 0 HG23 VAL A 17 -1.973 11.575 5.935 1.00 72.01 H new ATOM 259 N GLY A 18 0.406 9.912 2.530 1.00 73.31 N ATOM 260 CA GLY A 18 1.848 9.783 2.429 1.00 4.20 C ATOM 261 C GLY A 18 2.484 10.949 1.700 1.00 40.03 C ATOM 262 O GLY A 18 3.516 11.468 2.126 1.00 63.43 O ATOM 0 H GLY A 18 -0.124 9.209 2.015 1.00 73.31 H new ATOM 0 HA2 GLY A 18 2.274 9.708 3.429 1.00 4.20 H new ATOM 0 HA3 GLY A 18 2.091 8.857 1.909 1.00 4.20 H new ATOM 266 N LYS A 19 1.870 11.362 0.596 1.00 75.44 N ATOM 267 CA LYS A 19 2.382 12.476 -0.194 1.00 41.05 C ATOM 268 C LYS A 19 2.149 13.802 0.521 1.00 1.21 C ATOM 269 O LYS A 19 2.947 14.733 0.399 1.00 33.34 O ATOM 270 CB LYS A 19 1.713 12.500 -1.570 1.00 75.00 C ATOM 271 CG LYS A 19 0.208 12.695 -1.511 1.00 30.02 C ATOM 272 CD LYS A 19 -0.386 12.875 -2.899 1.00 64.14 C ATOM 273 CE LYS A 19 -0.675 11.535 -3.560 1.00 60.42 C ATOM 274 NZ LYS A 19 -1.552 11.684 -4.753 1.00 1.24 N ATOM 0 H LYS A 19 1.017 10.942 0.228 1.00 75.44 H new ATOM 0 HA LYS A 19 3.456 12.337 -0.321 1.00 41.05 H new ATOM 0 HB2 LYS A 19 2.152 13.302 -2.164 1.00 75.00 H new ATOM 0 HB3 LYS A 19 1.930 11.565 -2.087 1.00 75.00 H new ATOM 0 HG2 LYS A 19 -0.253 11.834 -1.026 1.00 30.02 H new ATOM 0 HG3 LYS A 19 -0.023 13.567 -0.899 1.00 30.02 H new ATOM 0 HD2 LYS A 19 -1.307 13.454 -2.829 1.00 64.14 H new ATOM 0 HD3 LYS A 19 0.304 13.447 -3.520 1.00 64.14 H new ATOM 0 HE2 LYS A 19 0.263 11.066 -3.855 1.00 60.42 H new ATOM 0 HE3 LYS A 19 -1.151 10.870 -2.840 1.00 60.42 H new ATOM 0 HZ1 LYS A 19 -1.496 10.824 -5.335 1.00 1.24 H new ATOM 0 HZ2 LYS A 19 -2.535 11.830 -4.445 1.00 1.24 H new ATOM 0 HZ3 LYS A 19 -1.239 12.502 -5.314 1.00 1.24 H new ATOM 288 N ALA A 20 1.052 13.883 1.265 1.00 75.24 N ATOM 289 CA ALA A 20 0.716 15.095 2.002 1.00 60.14 C ATOM 290 C ALA A 20 1.714 15.351 3.125 1.00 41.32 C ATOM 291 O ALA A 20 1.978 16.498 3.488 1.00 14.42 O ATOM 292 CB ALA A 20 -0.696 15.000 2.560 1.00 62.31 C ATOM 0 H ALA A 20 0.380 13.123 1.374 1.00 75.24 H new ATOM 0 HA ALA A 20 0.766 15.935 1.310 1.00 60.14 H new ATOM 0 HB1 ALA A 20 -0.933 15.912 3.108 1.00 62.31 H new ATOM 0 HB2 ALA A 20 -1.404 14.875 1.740 1.00 62.31 H new ATOM 0 HB3 ALA A 20 -0.765 14.145 3.232 1.00 62.31 H new ATOM 298 N LEU A 21 2.268 14.274 3.675 1.00 5.02 N ATOM 299 CA LEU A 21 3.238 14.380 4.757 1.00 73.15 C ATOM 300 C LEU A 21 4.601 14.816 4.228 1.00 32.22 C ATOM 301 O LEU A 21 5.396 15.417 4.949 1.00 70.12 O ATOM 302 CB LEU A 21 3.367 13.043 5.488 1.00 10.15 C ATOM 303 CG LEU A 21 2.992 13.048 6.970 1.00 54.12 C ATOM 304 CD1 LEU A 21 1.586 12.500 7.167 1.00 74.25 C ATOM 305 CD2 LEU A 21 3.999 12.243 7.779 1.00 11.34 C ATOM 0 H LEU A 21 2.060 13.318 3.388 1.00 5.02 H new ATOM 0 HA LEU A 21 2.881 15.136 5.456 1.00 73.15 H new ATOM 0 HB2 LEU A 21 2.740 12.311 4.978 1.00 10.15 H new ATOM 0 HB3 LEU A 21 4.397 12.700 5.396 1.00 10.15 H new ATOM 0 HG LEU A 21 3.012 14.078 7.326 1.00 54.12 H new ATOM 0 HD11 LEU A 21 1.336 12.511 8.228 1.00 74.25 H new ATOM 0 HD12 LEU A 21 0.874 13.119 6.620 1.00 74.25 H new ATOM 0 HD13 LEU A 21 1.539 11.477 6.794 1.00 74.25 H new ATOM 0 HD21 LEU A 21 3.716 12.258 8.831 1.00 11.34 H new ATOM 0 HD22 LEU A 21 4.013 11.213 7.422 1.00 11.34 H new ATOM 0 HD23 LEU A 21 4.991 12.680 7.664 1.00 11.34 H new ATOM 317 N GLY A 22 4.862 14.510 2.961 1.00 63.02 N ATOM 318 CA GLY A 22 6.129 14.880 2.355 1.00 14.22 C ATOM 319 C GLY A 22 7.303 14.150 2.977 1.00 2.32 C ATOM 320 O GLY A 22 7.122 13.175 3.705 1.00 61.33 O ATOM 0 H GLY A 22 4.220 14.013 2.343 1.00 63.02 H new ATOM 0 HA2 GLY A 22 6.095 14.664 1.287 1.00 14.22 H new ATOM 0 HA3 GLY A 22 6.277 15.955 2.458 1.00 14.22 H new ATOM 324 N ASN A 23 8.512 14.622 2.686 1.00 35.24 N ATOM 325 CA ASN A 23 9.721 14.005 3.219 1.00 70.53 C ATOM 326 C ASN A 23 9.844 12.557 2.754 1.00 61.44 C ATOM 327 O ASN A 23 10.456 11.727 3.429 1.00 5.40 O ATOM 328 CB ASN A 23 9.716 14.063 4.748 1.00 1.45 C ATOM 329 CG ASN A 23 11.076 14.417 5.318 1.00 30.23 C ATOM 330 OD1 ASN A 23 11.752 13.574 5.907 1.00 62.12 O ATOM 331 ND2 ASN A 23 11.482 15.670 5.145 1.00 13.11 N ATOM 0 H ASN A 23 8.680 15.429 2.085 1.00 35.24 H new ATOM 0 HA ASN A 23 10.579 14.562 2.843 1.00 70.53 H new ATOM 0 HB2 ASN A 23 8.984 14.800 5.078 1.00 1.45 H new ATOM 0 HB3 ASN A 23 9.399 13.098 5.144 1.00 1.45 H new ATOM 0 HD21 ASN A 23 12.388 15.967 5.507 1.00 13.11 H new ATOM 0 HD22 ASN A 23 10.888 16.335 4.650 1.00 13.11 H new ATOM 338 N LEU A 24 9.260 12.261 1.599 1.00 72.11 N ATOM 339 CA LEU A 24 9.306 10.914 1.041 1.00 54.02 C ATOM 340 C LEU A 24 9.124 9.867 2.136 1.00 31.10 C ATOM 341 O LEU A 24 10.068 9.170 2.505 1.00 41.02 O ATOM 342 CB LEU A 24 10.633 10.684 0.316 1.00 5.24 C ATOM 343 CG LEU A 24 10.688 11.143 -1.142 1.00 34.11 C ATOM 344 CD1 LEU A 24 10.912 12.646 -1.219 1.00 25.25 C ATOM 345 CD2 LEU A 24 11.782 10.399 -1.894 1.00 32.12 C ATOM 0 H LEU A 24 8.749 12.936 1.030 1.00 72.11 H new ATOM 0 HA LEU A 24 8.488 10.815 0.327 1.00 54.02 H new ATOM 0 HB2 LEU A 24 11.420 11.198 0.868 1.00 5.24 H new ATOM 0 HB3 LEU A 24 10.863 9.619 0.350 1.00 5.24 H new ATOM 0 HG LEU A 24 9.732 10.914 -1.612 1.00 34.11 H new ATOM 0 HD11 LEU A 24 10.949 12.955 -2.264 1.00 25.25 H new ATOM 0 HD12 LEU A 24 10.094 13.162 -0.716 1.00 25.25 H new ATOM 0 HD13 LEU A 24 11.854 12.899 -0.733 1.00 25.25 H new ATOM 0 HD21 LEU A 24 11.807 10.738 -2.930 1.00 32.12 H new ATOM 0 HD22 LEU A 24 12.745 10.597 -1.424 1.00 32.12 H new ATOM 0 HD23 LEU A 24 11.578 9.329 -1.868 1.00 32.12 H new ATOM 357 N SER A 25 7.902 9.760 2.648 1.00 54.12 N ATOM 358 CA SER A 25 7.596 8.798 3.702 1.00 5.22 C ATOM 359 C SER A 25 7.059 7.498 3.111 1.00 44.13 C ATOM 360 O SER A 25 7.534 6.411 3.441 1.00 41.14 O ATOM 361 CB SER A 25 6.576 9.387 4.678 1.00 14.55 C ATOM 362 OG SER A 25 7.111 9.465 5.986 1.00 72.45 O ATOM 0 H SER A 25 7.108 10.327 2.351 1.00 54.12 H new ATOM 0 HA SER A 25 8.519 8.579 4.240 1.00 5.22 H new ATOM 0 HB2 SER A 25 6.279 10.381 4.343 1.00 14.55 H new ATOM 0 HB3 SER A 25 5.677 8.771 4.685 1.00 14.55 H new ATOM 0 HG SER A 25 6.441 9.846 6.591 1.00 72.45 H new ATOM 368 N ASP A 26 6.070 7.618 2.234 1.00 20.42 N ATOM 369 CA ASP A 26 5.468 6.453 1.595 1.00 24.11 C ATOM 370 C ASP A 26 6.504 5.684 0.781 1.00 5.03 C ATOM 371 O ASP A 26 6.444 4.459 0.677 1.00 42.22 O ATOM 372 CB ASP A 26 4.308 6.882 0.694 1.00 3.21 C ATOM 373 CG ASP A 26 3.311 5.762 0.465 1.00 1.14 C ATOM 374 OD1 ASP A 26 2.546 5.448 1.401 1.00 64.23 O ATOM 375 OD2 ASP A 26 3.294 5.201 -0.649 1.00 4.11 O ATOM 0 H ASP A 26 5.667 8.511 1.948 1.00 20.42 H new ATOM 0 HA ASP A 26 5.087 5.796 2.377 1.00 24.11 H new ATOM 0 HB2 ASP A 26 3.797 7.733 1.144 1.00 3.21 H new ATOM 0 HB3 ASP A 26 4.701 7.217 -0.266 1.00 3.21 H new ATOM 381 N VAL A 27 7.454 6.412 0.203 1.00 60.42 N ATOM 382 CA VAL A 27 8.504 5.800 -0.603 1.00 74.44 C ATOM 383 C VAL A 27 9.385 4.889 0.244 1.00 21.14 C ATOM 384 O VAL A 27 10.020 3.970 -0.272 1.00 5.02 O ATOM 385 CB VAL A 27 9.388 6.866 -1.278 1.00 72.01 C ATOM 386 CG1 VAL A 27 10.461 6.208 -2.131 1.00 55.21 C ATOM 387 CG2 VAL A 27 8.538 7.813 -2.111 1.00 1.22 C ATOM 0 H VAL A 27 7.518 7.427 0.278 1.00 60.42 H new ATOM 0 HA VAL A 27 8.008 5.209 -1.373 1.00 74.44 H new ATOM 0 HB VAL A 27 9.883 7.448 -0.501 1.00 72.01 H new ATOM 0 HG11 VAL A 27 11.075 6.977 -2.600 1.00 55.21 H new ATOM 0 HG12 VAL A 27 11.088 5.575 -1.503 1.00 55.21 H new ATOM 0 HG13 VAL A 27 9.990 5.600 -2.903 1.00 55.21 H new ATOM 0 HG21 VAL A 27 9.179 8.559 -2.581 1.00 1.22 H new ATOM 0 HG22 VAL A 27 8.013 7.248 -2.882 1.00 1.22 H new ATOM 0 HG23 VAL A 27 7.812 8.311 -1.468 1.00 1.22 H new ATOM 397 N ASN A 28 9.415 5.148 1.547 1.00 44.05 N ATOM 398 CA ASN A 28 10.218 4.350 2.466 1.00 24.22 C ATOM 399 C ASN A 28 9.680 2.925 2.561 1.00 14.32 C ATOM 400 O ASN A 28 10.447 1.965 2.648 1.00 60.33 O ATOM 401 CB ASN A 28 10.235 4.993 3.854 1.00 34.21 C ATOM 402 CG ASN A 28 11.337 4.441 4.736 1.00 0.43 C ATOM 403 OD1 ASN A 28 12.523 4.609 4.445 1.00 14.32 O ATOM 404 ND2 ASN A 28 10.953 3.776 5.818 1.00 2.11 N ATOM 0 H ASN A 28 8.893 5.904 1.990 1.00 44.05 H new ATOM 0 HA ASN A 28 11.236 4.311 2.079 1.00 24.22 H new ATOM 0 HB2 ASN A 28 10.363 6.071 3.750 1.00 34.21 H new ATOM 0 HB3 ASN A 28 9.272 4.831 4.338 1.00 34.21 H new ATOM 0 HD21 ASN A 28 11.651 3.380 6.448 1.00 2.11 H new ATOM 0 HD22 ASN A 28 9.960 3.661 6.020 1.00 2.11 H new ATOM 411 N GLN A 29 8.358 2.795 2.543 1.00 0.52 N ATOM 412 CA GLN A 29 7.717 1.488 2.628 1.00 44.33 C ATOM 413 C GLN A 29 7.763 0.771 1.282 1.00 74.25 C ATOM 414 O GLN A 29 7.808 -0.457 1.223 1.00 23.32 O ATOM 415 CB GLN A 29 6.269 1.635 3.093 1.00 14.24 C ATOM 416 CG GLN A 29 5.913 0.742 4.271 1.00 41.02 C ATOM 417 CD GLN A 29 4.472 0.275 4.235 1.00 53.03 C ATOM 418 OE1 GLN A 29 4.017 -0.296 3.243 1.00 13.23 O ATOM 419 NE2 GLN A 29 3.744 0.512 5.321 1.00 31.20 N ATOM 0 H GLN A 29 7.709 3.579 2.470 1.00 0.52 H new ATOM 0 HA GLN A 29 8.264 0.890 3.356 1.00 44.33 H new ATOM 0 HB2 GLN A 29 6.089 2.674 3.368 1.00 14.24 H new ATOM 0 HB3 GLN A 29 5.604 1.406 2.260 1.00 14.24 H new ATOM 0 HG2 GLN A 29 6.572 -0.126 4.276 1.00 41.02 H new ATOM 0 HG3 GLN A 29 6.092 1.284 5.200 1.00 41.02 H new ATOM 0 HE21 GLN A 29 4.161 0.988 6.121 1.00 31.20 H new ATOM 0 HE22 GLN A 29 2.768 0.218 5.355 1.00 31.20 H new ATOM 428 N ALA A 30 7.750 1.548 0.204 1.00 73.13 N ATOM 429 CA ALA A 30 7.790 0.988 -1.141 1.00 0.15 C ATOM 430 C ALA A 30 9.090 0.227 -1.381 1.00 41.14 C ATOM 431 O ALA A 30 9.137 -0.701 -2.188 1.00 45.41 O ATOM 432 CB ALA A 30 7.623 2.090 -2.177 1.00 14.11 C ATOM 0 H ALA A 30 7.712 2.567 0.236 1.00 73.13 H new ATOM 0 HA ALA A 30 6.964 0.284 -1.239 1.00 0.15 H new ATOM 0 HB1 ALA A 30 7.655 1.657 -3.177 1.00 14.11 H new ATOM 0 HB2 ALA A 30 6.665 2.588 -2.027 1.00 14.11 H new ATOM 0 HB3 ALA A 30 8.429 2.815 -2.070 1.00 14.11 H new ATOM 438 N SER A 31 10.142 0.628 -0.673 1.00 14.12 N ATOM 439 CA SER A 31 11.445 -0.014 -0.813 1.00 52.23 C ATOM 440 C SER A 31 11.343 -1.513 -0.545 1.00 53.04 C ATOM 441 O SER A 31 12.177 -2.293 -1.004 1.00 43.50 O ATOM 442 CB SER A 31 12.453 0.619 0.148 1.00 3.22 C ATOM 443 OG SER A 31 12.456 -0.047 1.399 1.00 23.44 O ATOM 0 H SER A 31 10.118 1.393 0.002 1.00 14.12 H new ATOM 0 HA SER A 31 11.787 0.132 -1.837 1.00 52.23 H new ATOM 0 HB2 SER A 31 13.450 0.581 -0.290 1.00 3.22 H new ATOM 0 HB3 SER A 31 12.209 1.671 0.294 1.00 3.22 H new ATOM 0 HG SER A 31 11.859 0.421 2.020 1.00 23.44 H new ATOM 449 N ARG A 32 10.316 -1.906 0.200 1.00 10.24 N ATOM 450 CA ARG A 32 10.104 -3.311 0.530 1.00 65.31 C ATOM 451 C ARG A 32 9.696 -4.105 -0.708 1.00 35.51 C ATOM 452 O ARG A 32 9.757 -5.334 -0.716 1.00 32.32 O ATOM 453 CB ARG A 32 9.033 -3.446 1.614 1.00 2.35 C ATOM 454 CG ARG A 32 9.544 -3.157 3.015 1.00 65.44 C ATOM 455 CD ARG A 32 9.028 -4.175 4.019 1.00 70.12 C ATOM 456 NE ARG A 32 9.697 -5.466 3.882 1.00 12.21 N ATOM 457 CZ ARG A 32 9.544 -6.469 4.740 1.00 51.24 C ATOM 458 NH1 ARG A 32 8.748 -6.329 5.792 1.00 14.00 N ATOM 459 NH2 ARG A 32 10.187 -7.614 4.548 1.00 62.43 N ATOM 0 H ARG A 32 9.617 -1.272 0.587 1.00 10.24 H new ATOM 0 HA ARG A 32 11.043 -3.716 0.906 1.00 65.31 H new ATOM 0 HB2 ARG A 32 8.212 -2.765 1.388 1.00 2.35 H new ATOM 0 HB3 ARG A 32 8.626 -4.457 1.586 1.00 2.35 H new ATOM 0 HG2 ARG A 32 10.634 -3.166 3.014 1.00 65.44 H new ATOM 0 HG3 ARG A 32 9.233 -2.157 3.317 1.00 65.44 H new ATOM 0 HD2 ARG A 32 9.177 -3.795 5.030 1.00 70.12 H new ATOM 0 HD3 ARG A 32 7.955 -4.307 3.883 1.00 70.12 H new ATOM 0 HE ARG A 32 10.316 -5.605 3.083 1.00 12.21 H new ATOM 0 HH11 ARG A 32 8.252 -5.450 5.943 1.00 14.00 H new ATOM 0 HH12 ARG A 32 8.632 -7.100 6.450 1.00 14.00 H new ATOM 0 HH21 ARG A 32 10.800 -7.725 3.741 1.00 62.43 H new ATOM 0 HH22 ARG A 32 10.068 -8.383 5.208 1.00 62.43 H new ATOM 473 N ILE A 33 9.278 -3.393 -1.750 1.00 33.41 N ATOM 474 CA ILE A 33 8.859 -4.030 -2.991 1.00 42.55 C ATOM 475 C ILE A 33 9.409 -3.287 -4.204 1.00 70.41 C ATOM 476 O ILE A 33 8.990 -3.529 -5.335 1.00 50.34 O ATOM 477 CB ILE A 33 7.325 -4.102 -3.099 1.00 63.24 C ATOM 478 CG1 ILE A 33 6.713 -4.454 -1.742 1.00 71.43 C ATOM 479 CG2 ILE A 33 6.914 -5.120 -4.151 1.00 60.34 C ATOM 480 CD1 ILE A 33 6.352 -3.243 -0.909 1.00 5.01 C ATOM 0 H ILE A 33 9.221 -2.375 -1.758 1.00 33.41 H new ATOM 0 HA ILE A 33 9.261 -5.043 -2.975 1.00 42.55 H new ATOM 0 HB ILE A 33 6.951 -3.124 -3.403 1.00 63.24 H new ATOM 0 HG12 ILE A 33 5.818 -5.055 -1.901 1.00 71.43 H new ATOM 0 HG13 ILE A 33 7.417 -5.072 -1.184 1.00 71.43 H new ATOM 0 HG21 ILE A 33 5.827 -5.159 -4.215 1.00 60.34 H new ATOM 0 HG22 ILE A 33 7.324 -4.829 -5.118 1.00 60.34 H new ATOM 0 HG23 ILE A 33 7.296 -6.103 -3.875 1.00 60.34 H new ATOM 0 HD11 ILE A 33 5.924 -3.568 0.039 1.00 5.01 H new ATOM 0 HD12 ILE A 33 7.248 -2.652 -0.719 1.00 5.01 H new ATOM 0 HD13 ILE A 33 5.624 -2.635 -1.447 1.00 5.01 H new ATOM 492 N ASN A 34 10.351 -2.382 -3.959 1.00 52.34 N ATOM 493 CA ASN A 34 10.961 -1.604 -5.031 1.00 32.41 C ATOM 494 C ASN A 34 12.428 -1.982 -5.213 1.00 71.33 C ATOM 495 O ASN A 34 12.990 -1.823 -6.295 1.00 44.31 O ATOM 496 CB ASN A 34 10.840 -0.109 -4.734 1.00 3.15 C ATOM 497 CG ASN A 34 9.680 0.535 -5.470 1.00 71.11 C ATOM 498 OD1 ASN A 34 9.874 1.255 -6.450 1.00 42.24 O ATOM 499 ND2 ASN A 34 8.466 0.279 -4.999 1.00 74.50 N ATOM 0 H ASN A 34 10.708 -2.169 -3.028 1.00 52.34 H new ATOM 0 HA ASN A 34 10.431 -1.829 -5.957 1.00 32.41 H new ATOM 0 HB2 ASN A 34 10.712 0.036 -3.661 1.00 3.15 H new ATOM 0 HB3 ASN A 34 11.767 0.391 -5.015 1.00 3.15 H new ATOM 0 HD21 ASN A 34 7.647 0.685 -5.452 1.00 74.50 H new ATOM 0 HD22 ASN A 34 8.352 -0.324 -4.184 1.00 74.50 H new ATOM 506 N ARG A 35 13.040 -2.482 -4.144 1.00 52.21 N ATOM 507 CA ARG A 35 14.442 -2.880 -4.184 1.00 0.21 C ATOM 508 C ARG A 35 14.657 -4.005 -5.193 1.00 24.34 C ATOM 509 O ARG A 35 15.751 -4.165 -5.737 1.00 51.24 O ATOM 510 CB ARG A 35 14.906 -3.330 -2.797 1.00 13.35 C ATOM 511 CG ARG A 35 16.345 -2.952 -2.485 1.00 21.12 C ATOM 512 CD ARG A 35 16.557 -2.756 -0.993 1.00 53.22 C ATOM 513 NE ARG A 35 17.774 -1.998 -0.707 1.00 11.31 N ATOM 514 CZ ARG A 35 18.117 -1.589 0.509 1.00 34.34 C ATOM 515 NH1 ARG A 35 17.338 -1.863 1.547 1.00 45.51 N ATOM 516 NH2 ARG A 35 19.239 -0.905 0.689 1.00 11.32 N ATOM 0 H ARG A 35 12.587 -2.621 -3.241 1.00 52.21 H new ATOM 0 HA ARG A 35 15.031 -2.017 -4.495 1.00 0.21 H new ATOM 0 HB2 ARG A 35 14.252 -2.890 -2.044 1.00 13.35 H new ATOM 0 HB3 ARG A 35 14.798 -4.412 -2.720 1.00 13.35 H new ATOM 0 HG2 ARG A 35 17.014 -3.731 -2.850 1.00 21.12 H new ATOM 0 HG3 ARG A 35 16.605 -2.035 -3.014 1.00 21.12 H new ATOM 0 HD2 ARG A 35 15.698 -2.235 -0.570 1.00 53.22 H new ATOM 0 HD3 ARG A 35 16.612 -3.729 -0.504 1.00 53.22 H new ATOM 0 HE ARG A 35 18.394 -1.771 -1.484 1.00 11.31 H new ATOM 0 HH11 ARG A 35 16.474 -2.388 1.412 1.00 45.51 H new ATOM 0 HH12 ARG A 35 17.603 -1.548 2.480 1.00 45.51 H new ATOM 0 HH21 ARG A 35 19.840 -0.692 -0.107 1.00 11.32 H new ATOM 0 HH22 ARG A 35 19.501 -0.592 1.624 1.00 11.32 H new ATOM 530 N LYS A 36 13.608 -4.782 -5.441 1.00 73.22 N ATOM 531 CA LYS A 36 13.681 -5.891 -6.385 1.00 72.13 C ATOM 532 C LYS A 36 12.316 -6.167 -7.005 1.00 41.42 C ATOM 533 O LYS A 36 11.547 -6.987 -6.502 1.00 73.51 O ATOM 534 CB LYS A 36 14.200 -7.150 -5.685 1.00 73.11 C ATOM 535 CG LYS A 36 15.705 -7.326 -5.784 1.00 31.32 C ATOM 536 CD LYS A 36 16.143 -7.572 -7.218 1.00 24.30 C ATOM 537 CE LYS A 36 17.520 -8.218 -7.276 1.00 55.15 C ATOM 538 NZ LYS A 36 17.592 -9.278 -8.318 1.00 12.52 N ATOM 0 H LYS A 36 12.696 -4.664 -5.000 1.00 73.22 H new ATOM 0 HA LYS A 36 14.373 -5.614 -7.181 1.00 72.13 H new ATOM 0 HB2 LYS A 36 13.916 -7.114 -4.633 1.00 73.11 H new ATOM 0 HB3 LYS A 36 13.712 -8.023 -6.118 1.00 73.11 H new ATOM 0 HG2 LYS A 36 16.203 -6.436 -5.398 1.00 31.32 H new ATOM 0 HG3 LYS A 36 16.017 -8.163 -5.159 1.00 31.32 H new ATOM 0 HD2 LYS A 36 15.417 -8.214 -7.716 1.00 24.30 H new ATOM 0 HD3 LYS A 36 16.159 -6.628 -7.762 1.00 24.30 H new ATOM 0 HE2 LYS A 36 18.271 -7.455 -7.482 1.00 55.15 H new ATOM 0 HE3 LYS A 36 17.761 -8.648 -6.304 1.00 55.15 H new ATOM 0 HZ1 LYS A 36 18.546 -9.693 -8.326 1.00 12.52 H new ATOM 0 HZ2 LYS A 36 16.893 -10.019 -8.108 1.00 12.52 H new ATOM 0 HZ3 LYS A 36 17.388 -8.863 -9.250 1.00 12.52 H new ATOM 552 N LYS A 37 12.020 -5.481 -8.104 1.00 64.13 N ATOM 553 CA LYS A 37 10.749 -5.654 -8.797 1.00 61.01 C ATOM 554 C LYS A 37 10.841 -5.151 -10.234 1.00 23.45 C ATOM 555 O LYS A 37 9.878 -4.607 -10.776 1.00 0.50 O ATOM 556 CB LYS A 37 9.636 -4.910 -8.056 1.00 63.34 C ATOM 557 CG LYS A 37 8.300 -5.633 -8.082 1.00 24.01 C ATOM 558 CD LYS A 37 7.257 -4.845 -8.857 1.00 33.32 C ATOM 559 CE LYS A 37 5.850 -5.158 -8.371 1.00 14.13 C ATOM 560 NZ LYS A 37 4.888 -4.075 -8.719 1.00 64.11 N ATOM 0 H LYS A 37 12.644 -4.799 -8.534 1.00 64.13 H new ATOM 0 HA LYS A 37 10.516 -6.719 -8.817 1.00 61.01 H new ATOM 0 HB2 LYS A 37 9.938 -4.760 -7.020 1.00 63.34 H new ATOM 0 HB3 LYS A 37 9.514 -3.922 -8.499 1.00 63.34 H new ATOM 0 HG2 LYS A 37 8.426 -6.616 -8.535 1.00 24.01 H new ATOM 0 HG3 LYS A 37 7.952 -5.794 -7.062 1.00 24.01 H new ATOM 0 HD2 LYS A 37 7.451 -3.778 -8.750 1.00 33.32 H new ATOM 0 HD3 LYS A 37 7.337 -5.079 -9.919 1.00 33.32 H new ATOM 0 HE2 LYS A 37 5.514 -6.097 -8.811 1.00 14.13 H new ATOM 0 HE3 LYS A 37 5.862 -5.299 -7.290 1.00 14.13 H new ATOM 0 HZ1 LYS A 37 3.941 -4.327 -8.370 1.00 64.11 H new ATOM 0 HZ2 LYS A 37 5.194 -3.184 -8.278 1.00 64.11 H new ATOM 0 HZ3 LYS A 37 4.857 -3.957 -9.752 1.00 64.11 H new ATOM 574 N LYS A 38 12.005 -5.336 -10.849 1.00 54.34 N ATOM 575 CA LYS A 38 12.222 -4.905 -12.225 1.00 52.14 C ATOM 576 C LYS A 38 11.891 -3.425 -12.390 1.00 74.41 C ATOM 577 O LYS A 38 10.788 -3.068 -12.804 1.00 24.24 O ATOM 578 CB LYS A 38 11.368 -5.740 -13.182 1.00 41.21 C ATOM 579 CG LYS A 38 11.948 -7.114 -13.475 1.00 54.24 C ATOM 580 CD LYS A 38 11.161 -7.832 -14.557 1.00 1.24 C ATOM 581 CE LYS A 38 9.948 -8.547 -13.982 1.00 34.30 C ATOM 582 NZ LYS A 38 9.069 -9.096 -15.051 1.00 44.41 N ATOM 0 H LYS A 38 12.813 -5.782 -10.415 1.00 54.34 H new ATOM 0 HA LYS A 38 13.275 -5.052 -12.465 1.00 52.14 H new ATOM 0 HB2 LYS A 38 10.372 -5.859 -12.757 1.00 41.21 H new ATOM 0 HB3 LYS A 38 11.252 -5.197 -14.120 1.00 41.21 H new ATOM 0 HG2 LYS A 38 12.987 -7.012 -13.787 1.00 54.24 H new ATOM 0 HG3 LYS A 38 11.946 -7.713 -12.564 1.00 54.24 H new ATOM 0 HD2 LYS A 38 10.838 -7.114 -15.311 1.00 1.24 H new ATOM 0 HD3 LYS A 38 11.806 -8.553 -15.059 1.00 1.24 H new ATOM 0 HE2 LYS A 38 10.278 -9.357 -13.332 1.00 34.30 H new ATOM 0 HE3 LYS A 38 9.378 -7.854 -13.363 1.00 34.30 H new ATOM 0 HZ1 LYS A 38 8.254 -9.575 -14.618 1.00 44.41 H new ATOM 0 HZ2 LYS A 38 8.733 -8.320 -15.657 1.00 44.41 H new ATOM 0 HZ3 LYS A 38 9.605 -9.776 -15.626 1.00 44.41 H new ATOM 596 N HIS A 39 12.852 -2.568 -12.062 1.00 4.43 N ATOM 597 CA HIS A 39 12.663 -1.126 -12.177 1.00 44.34 C ATOM 598 C HIS A 39 13.881 -0.468 -12.819 1.00 22.33 C ATOM 599 O HIS A 39 13.748 0.355 -13.724 1.00 31.34 O ATOM 600 CB HIS A 39 12.404 -0.514 -10.801 1.00 53.15 C ATOM 601 CG HIS A 39 13.488 -0.796 -9.806 1.00 63.34 C ATOM 602 ND1 HIS A 39 14.299 0.187 -9.278 1.00 44.13 N ATOM 603 CD2 HIS A 39 13.892 -1.958 -9.242 1.00 15.23 C ATOM 604 CE1 HIS A 39 15.156 -0.359 -8.433 1.00 23.43 C ATOM 605 NE2 HIS A 39 14.930 -1.660 -8.392 1.00 13.23 N ATOM 0 H HIS A 39 13.770 -2.847 -11.714 1.00 4.43 H new ATOM 0 HA HIS A 39 11.797 -0.947 -12.815 1.00 44.34 H new ATOM 0 HB2 HIS A 39 12.292 0.565 -10.908 1.00 53.15 H new ATOM 0 HB3 HIS A 39 11.459 -0.896 -10.415 1.00 53.15 H new ATOM 0 HD2 HIS A 39 13.476 -2.938 -9.426 1.00 15.23 H new ATOM 0 HE1 HIS A 39 15.913 0.169 -7.871 1.00 23.43 H new ATOM 0 HE2 HIS A 39 15.442 -2.333 -7.822 1.00 13.23 H new TER 614 HIS A 39