USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 3 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00715) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.138 X(o=0.14,f=-0.16) USER MOD Single : A 13 ASN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -137:sc= 1.07 (180deg=0.135) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -3.29 X(o=-3.3,f=-3!) USER MOD Single : A 21 HIS : no HD1:sc= -0.0413 X(o=-0.041,f=0) USER MOD Single : A 23 THR OG1 : rot 78:sc= 0.0992 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.47 F(o=-3.8!,f=-1.5) USER MOD Single : A 25 MET CE :methyl -138:sc= 0 (180deg=-0.632) USER MOD Single : A 28 THR OG1 : rot 73:sc= 0.601 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.98! C(o=-2!,f=-1.7!) USER MOD Single : B 103 LYS NZ :NH3+ 159:sc= -0.0395 (180deg=-0.325) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= -0.0393 X(o=-0.039,f=-0.11) USER MOD Single : B 113 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.037) USER MOD Single : B 115 LYS NZ :NH3+ -158:sc= 0.736 (180deg=0.454) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 119 GLN : amide:sc= -1.91! X(o=-1.9!,f=-1.7) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 THR OG1 : rot 74:sc= 1.04 USER MOD Single : B 124 ASN :FLIP amide:sc= -1.45 F(o=-3.8!,f=-1.5) USER MOD Single : B 125 MET CE :methyl -145:sc= -0.122 (180deg=-0.492) USER MOD Single : B 128 THR OG1 : rot 77:sc= 0.713 USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 11.588 -6.494 22.924 1.00 42.55 N ATOM 36 CA LYS A 3 10.613 -5.380 22.928 1.00 55.41 C ATOM 37 C LYS A 3 10.749 -4.569 21.615 1.00 35.43 C ATOM 38 O LYS A 3 9.748 -4.219 20.968 1.00 24.24 O ATOM 39 CB LYS A 3 10.766 -4.454 24.184 1.00 63.13 C ATOM 40 CG LYS A 3 11.887 -3.374 24.134 1.00 73.51 C ATOM 41 CD LYS A 3 13.337 -3.918 24.309 1.00 61.11 C ATOM 42 CE LYS A 3 13.869 -3.749 25.747 1.00 32.22 C ATOM 43 NZ LYS A 3 12.977 -4.333 26.791 1.00 13.03 N ATOM 0 HA LYS A 3 9.613 -5.809 22.986 1.00 55.41 H new ATOM 0 HB2 LYS A 3 9.815 -3.948 24.349 1.00 63.13 H new ATOM 0 HB3 LYS A 3 10.945 -5.088 25.052 1.00 63.13 H new ATOM 0 HG2 LYS A 3 11.824 -2.851 23.180 1.00 73.51 H new ATOM 0 HG3 LYS A 3 11.695 -2.637 24.914 1.00 73.51 H new ATOM 0 HD2 LYS A 3 13.359 -4.974 24.040 1.00 61.11 H new ATOM 0 HD3 LYS A 3 14.001 -3.399 23.617 1.00 61.11 H new ATOM 0 HE2 LYS A 3 14.851 -4.216 25.818 1.00 32.22 H new ATOM 0 HE3 LYS A 3 14.006 -2.687 25.952 1.00 32.22 H new ATOM 0 HZ1 LYS A 3 13.421 -4.228 27.726 1.00 13.03 H new ATOM 0 HZ2 LYS A 3 12.063 -3.837 26.784 1.00 13.03 H new ATOM 0 HZ3 LYS A 3 12.824 -5.342 26.592 1.00 13.03 H new ATOM 57 N LYS A 4 12.015 -4.329 21.205 1.00 21.35 N ATOM 58 CA LYS A 4 12.319 -3.566 19.994 1.00 14.34 C ATOM 59 C LYS A 4 12.221 -4.463 18.762 1.00 72.11 C ATOM 60 O LYS A 4 11.971 -3.957 17.689 1.00 33.23 O ATOM 61 CB LYS A 4 13.706 -2.861 20.100 1.00 25.11 C ATOM 62 CG LYS A 4 14.957 -3.787 20.146 1.00 10.24 C ATOM 63 CD LYS A 4 15.639 -4.038 18.772 1.00 62.44 C ATOM 64 CE LYS A 4 16.056 -2.739 18.042 1.00 31.02 C ATOM 65 NZ LYS A 4 17.029 -1.916 18.813 1.00 34.05 N ATOM 0 H LYS A 4 12.840 -4.659 21.705 1.00 21.35 H new ATOM 0 HA LYS A 4 11.576 -2.776 19.887 1.00 14.34 H new ATOM 0 HB2 LYS A 4 13.812 -2.188 19.249 1.00 25.11 H new ATOM 0 HB3 LYS A 4 13.706 -2.243 20.998 1.00 25.11 H new ATOM 0 HG2 LYS A 4 15.690 -3.349 20.824 1.00 10.24 H new ATOM 0 HG3 LYS A 4 14.664 -4.747 20.570 1.00 10.24 H new ATOM 0 HD2 LYS A 4 16.521 -4.660 18.922 1.00 62.44 H new ATOM 0 HD3 LYS A 4 14.957 -4.600 18.134 1.00 62.44 H new ATOM 0 HE2 LYS A 4 16.493 -2.997 17.077 1.00 31.02 H new ATOM 0 HE3 LYS A 4 15.166 -2.143 17.840 1.00 31.02 H new ATOM 0 HZ1 LYS A 4 17.268 -1.061 18.270 1.00 34.05 H new ATOM 0 HZ2 LYS A 4 16.607 -1.642 19.723 1.00 34.05 H new ATOM 0 HZ3 LYS A 4 17.893 -2.469 18.984 1.00 34.05 H new ATOM 79 N LEU A 5 12.421 -5.796 18.936 1.00 23.23 N ATOM 80 CA LEU A 5 12.226 -6.793 17.842 1.00 40.14 C ATOM 81 C LEU A 5 10.833 -6.627 17.199 1.00 10.50 C ATOM 82 O LEU A 5 10.688 -6.598 15.956 1.00 1.51 O ATOM 83 CB LEU A 5 12.349 -8.249 18.368 1.00 62.13 C ATOM 84 CG LEU A 5 12.379 -9.353 17.256 1.00 2.14 C ATOM 85 CD1 LEU A 5 13.758 -9.400 16.575 1.00 64.53 C ATOM 86 CD2 LEU A 5 11.963 -10.741 17.782 1.00 42.15 C ATOM 0 H LEU A 5 12.717 -6.208 19.821 1.00 23.23 H new ATOM 0 HA LEU A 5 13.007 -6.610 17.104 1.00 40.14 H new ATOM 0 HB2 LEU A 5 13.259 -8.329 18.963 1.00 62.13 H new ATOM 0 HB3 LEU A 5 11.512 -8.450 19.036 1.00 62.13 H new ATOM 0 HG LEU A 5 11.634 -9.075 16.510 1.00 2.14 H new ATOM 0 HD11 LEU A 5 13.758 -10.173 15.806 1.00 64.53 H new ATOM 0 HD12 LEU A 5 13.971 -8.434 16.118 1.00 64.53 H new ATOM 0 HD13 LEU A 5 14.523 -9.627 17.318 1.00 64.53 H new ATOM 0 HD21 LEU A 5 12.002 -11.465 16.968 1.00 42.15 H new ATOM 0 HD22 LEU A 5 12.644 -11.049 18.575 1.00 42.15 H new ATOM 0 HD23 LEU A 5 10.947 -10.692 18.175 1.00 42.15 H new ATOM 98 N TYR A 6 9.827 -6.503 18.095 1.00 1.44 N ATOM 99 CA TYR A 6 8.440 -6.198 17.738 1.00 10.41 C ATOM 100 C TYR A 6 8.388 -4.880 16.949 1.00 43.05 C ATOM 101 O TYR A 6 7.928 -4.864 15.815 1.00 42.22 O ATOM 102 CB TYR A 6 7.575 -6.128 19.037 1.00 12.44 C ATOM 103 CG TYR A 6 6.053 -6.242 18.812 1.00 64.04 C ATOM 104 CD1 TYR A 6 5.372 -7.447 19.034 1.00 10.03 C ATOM 105 CD2 TYR A 6 5.300 -5.157 18.357 1.00 23.44 C ATOM 106 CE1 TYR A 6 4.007 -7.552 18.818 1.00 23.32 C ATOM 107 CE2 TYR A 6 3.939 -5.261 18.142 1.00 30.45 C ATOM 108 CZ TYR A 6 3.299 -6.458 18.372 1.00 3.42 C ATOM 109 OH TYR A 6 1.941 -6.561 18.160 1.00 1.21 O ATOM 0 H TYR A 6 9.968 -6.615 19.099 1.00 1.44 H new ATOM 0 HA TYR A 6 8.033 -6.984 17.102 1.00 10.41 H new ATOM 0 HB2 TYR A 6 7.889 -6.927 19.708 1.00 12.44 H new ATOM 0 HB3 TYR A 6 7.783 -5.186 19.544 1.00 12.44 H new ATOM 0 HD1 TYR A 6 5.921 -8.310 19.380 1.00 10.03 H new ATOM 0 HD2 TYR A 6 5.793 -4.215 18.169 1.00 23.44 H new ATOM 0 HE1 TYR A 6 3.500 -8.488 18.999 1.00 23.32 H new ATOM 0 HE2 TYR A 6 3.379 -4.406 17.794 1.00 30.45 H new ATOM 0 HH TYR A 6 1.592 -5.700 17.847 1.00 1.21 H new ATOM 119 N GLU A 7 8.975 -3.822 17.546 1.00 31.04 N ATOM 120 CA GLU A 7 9.012 -2.451 16.986 1.00 52.31 C ATOM 121 C GLU A 7 9.657 -2.387 15.591 1.00 14.30 C ATOM 122 O GLU A 7 9.282 -1.538 14.792 1.00 63.43 O ATOM 123 CB GLU A 7 9.781 -1.517 17.962 1.00 41.34 C ATOM 124 CG GLU A 7 9.022 -1.200 19.272 1.00 45.32 C ATOM 125 CD GLU A 7 9.838 -0.315 20.225 1.00 1.41 C ATOM 126 OE1 GLU A 7 10.500 -0.854 21.138 1.00 12.11 O ATOM 127 OE2 GLU A 7 9.847 0.928 20.042 1.00 72.21 O ATOM 0 H GLU A 7 9.446 -3.896 18.448 1.00 31.04 H new ATOM 0 HA GLU A 7 7.979 -2.122 16.871 1.00 52.31 H new ATOM 0 HB2 GLU A 7 10.736 -1.980 18.212 1.00 41.34 H new ATOM 0 HB3 GLU A 7 10.005 -0.581 17.450 1.00 41.34 H new ATOM 0 HG2 GLU A 7 8.083 -0.701 19.032 1.00 45.32 H new ATOM 0 HG3 GLU A 7 8.768 -2.133 19.776 1.00 45.32 H new ATOM 134 N GLN A 8 10.634 -3.275 15.324 1.00 50.54 N ATOM 135 CA GLN A 8 11.349 -3.309 14.027 1.00 41.30 C ATOM 136 C GLN A 8 10.409 -3.700 12.890 1.00 62.43 C ATOM 137 O GLN A 8 10.083 -2.848 12.050 1.00 72.22 O ATOM 138 CB GLN A 8 12.579 -4.258 14.051 1.00 23.44 C ATOM 139 CG GLN A 8 13.639 -3.920 15.116 1.00 61.25 C ATOM 140 CD GLN A 8 13.906 -2.418 15.271 1.00 60.42 C ATOM 141 OE1 GLN A 8 14.783 -1.847 14.614 1.00 11.30 O ATOM 142 NE2 GLN A 8 13.129 -1.772 16.146 1.00 74.32 N ATOM 0 H GLN A 8 10.949 -3.981 15.989 1.00 50.54 H new ATOM 0 HA GLN A 8 11.717 -2.298 13.852 1.00 41.30 H new ATOM 0 HB2 GLN A 8 12.230 -5.277 14.218 1.00 23.44 H new ATOM 0 HB3 GLN A 8 13.053 -4.240 13.069 1.00 23.44 H new ATOM 0 HG2 GLN A 8 13.317 -4.323 16.076 1.00 61.25 H new ATOM 0 HG3 GLN A 8 14.572 -4.420 14.857 1.00 61.25 H new ATOM 0 HE21 GLN A 8 12.416 -2.282 16.668 1.00 74.32 H new ATOM 0 HE22 GLN A 8 13.249 -0.770 16.291 1.00 74.32 H new ATOM 151 N ILE A 9 9.969 -4.980 12.866 1.00 70.34 N ATOM 152 CA ILE A 9 9.086 -5.475 11.791 1.00 23.14 C ATOM 153 C ILE A 9 7.767 -4.672 11.749 1.00 71.22 C ATOM 154 O ILE A 9 7.253 -4.388 10.672 1.00 43.41 O ATOM 155 CB ILE A 9 8.760 -7.006 11.916 1.00 20.13 C ATOM 156 CG1 ILE A 9 10.051 -7.855 12.115 1.00 55.32 C ATOM 157 CG2 ILE A 9 7.977 -7.503 10.664 1.00 11.23 C ATOM 158 CD1 ILE A 9 9.787 -9.348 12.176 1.00 61.13 C ATOM 0 H ILE A 9 10.209 -5.678 13.570 1.00 70.34 H new ATOM 0 HA ILE A 9 9.638 -5.332 10.862 1.00 23.14 H new ATOM 0 HB ILE A 9 8.136 -7.136 12.800 1.00 20.13 H new ATOM 0 HG12 ILE A 9 10.742 -7.649 11.298 1.00 55.32 H new ATOM 0 HG13 ILE A 9 10.544 -7.543 13.036 1.00 55.32 H new ATOM 0 HG21 ILE A 9 7.760 -8.566 10.769 1.00 11.23 H new ATOM 0 HG22 ILE A 9 7.042 -6.949 10.576 1.00 11.23 H new ATOM 0 HG23 ILE A 9 8.580 -7.342 9.770 1.00 11.23 H new ATOM 0 HD11 ILE A 9 10.729 -9.879 12.316 1.00 61.13 H new ATOM 0 HD12 ILE A 9 9.120 -9.566 13.011 1.00 61.13 H new ATOM 0 HD13 ILE A 9 9.322 -9.674 11.246 1.00 61.13 H new ATOM 170 N LEU A 10 7.261 -4.287 12.940 1.00 75.22 N ATOM 171 CA LEU A 10 5.998 -3.527 13.084 1.00 1.34 C ATOM 172 C LEU A 10 6.146 -2.107 12.509 1.00 52.43 C ATOM 173 O LEU A 10 5.186 -1.570 11.978 1.00 11.44 O ATOM 174 CB LEU A 10 5.533 -3.508 14.579 1.00 2.23 C ATOM 175 CG LEU A 10 3.999 -3.323 14.875 1.00 50.40 C ATOM 176 CD1 LEU A 10 3.492 -1.885 14.628 1.00 64.41 C ATOM 177 CD2 LEU A 10 3.156 -4.351 14.081 1.00 61.13 C ATOM 0 H LEU A 10 7.716 -4.494 13.829 1.00 75.22 H new ATOM 0 HA LEU A 10 5.221 -4.029 12.507 1.00 1.34 H new ATOM 0 HB2 LEU A 10 5.851 -4.444 15.039 1.00 2.23 H new ATOM 0 HB3 LEU A 10 6.070 -2.705 15.085 1.00 2.23 H new ATOM 0 HG LEU A 10 3.872 -3.508 15.942 1.00 50.40 H new ATOM 0 HD11 LEU A 10 2.427 -1.831 14.852 1.00 64.41 H new ATOM 0 HD12 LEU A 10 4.034 -1.192 15.272 1.00 64.41 H new ATOM 0 HD13 LEU A 10 3.657 -1.615 13.585 1.00 64.41 H new ATOM 0 HD21 LEU A 10 2.099 -4.203 14.302 1.00 61.13 H new ATOM 0 HD22 LEU A 10 3.326 -4.214 13.013 1.00 61.13 H new ATOM 0 HD23 LEU A 10 3.449 -5.361 14.368 1.00 61.13 H new ATOM 189 N ALA A 11 7.357 -1.521 12.587 1.00 14.42 N ATOM 190 CA ALA A 11 7.627 -0.185 12.005 1.00 65.32 C ATOM 191 C ALA A 11 7.391 -0.220 10.487 1.00 32.41 C ATOM 192 O ALA A 11 6.683 0.627 9.935 1.00 22.45 O ATOM 193 CB ALA A 11 9.056 0.290 12.330 1.00 15.13 C ATOM 0 H ALA A 11 8.163 -1.947 13.045 1.00 14.42 H new ATOM 0 HA ALA A 11 6.938 0.532 12.452 1.00 65.32 H new ATOM 0 HB1 ALA A 11 9.222 1.273 11.889 1.00 15.13 H new ATOM 0 HB2 ALA A 11 9.182 0.352 13.411 1.00 15.13 H new ATOM 0 HB3 ALA A 11 9.777 -0.418 11.921 1.00 15.13 H new ATOM 199 N GLU A 12 7.953 -1.257 9.834 1.00 24.22 N ATOM 200 CA GLU A 12 7.806 -1.458 8.388 1.00 54.44 C ATOM 201 C GLU A 12 6.394 -1.973 8.048 1.00 54.24 C ATOM 202 O GLU A 12 5.860 -1.629 7.012 1.00 14.22 O ATOM 203 CB GLU A 12 8.891 -2.436 7.858 1.00 65.34 C ATOM 204 CG GLU A 12 8.886 -2.649 6.319 1.00 23.52 C ATOM 205 CD GLU A 12 9.363 -1.446 5.468 1.00 11.21 C ATOM 206 OE1 GLU A 12 9.465 -1.620 4.238 1.00 63.14 O ATOM 207 OE2 GLU A 12 9.628 -0.338 5.998 1.00 2.22 O ATOM 0 H GLU A 12 8.517 -1.971 10.295 1.00 24.22 H new ATOM 0 HA GLU A 12 7.943 -0.496 7.895 1.00 54.44 H new ATOM 0 HB2 GLU A 12 9.871 -2.063 8.155 1.00 65.34 H new ATOM 0 HB3 GLU A 12 8.757 -3.402 8.344 1.00 65.34 H new ATOM 0 HG2 GLU A 12 9.519 -3.506 6.088 1.00 23.52 H new ATOM 0 HG3 GLU A 12 7.873 -2.908 6.011 1.00 23.52 H new ATOM 214 N ASN A 13 5.789 -2.756 8.957 1.00 54.23 N ATOM 215 CA ASN A 13 4.450 -3.373 8.763 1.00 13.42 C ATOM 216 C ASN A 13 3.359 -2.283 8.712 1.00 61.30 C ATOM 217 O ASN A 13 2.526 -2.250 7.798 1.00 1.14 O ATOM 218 CB ASN A 13 4.177 -4.357 9.927 1.00 64.10 C ATOM 219 CG ASN A 13 2.865 -5.126 9.806 1.00 21.12 C ATOM 220 OD1 ASN A 13 2.903 -6.309 9.205 1.00 45.04 O flip ATOM 221 ND2 ASN A 13 1.818 -4.668 10.260 1.00 1.31 N flip ATOM 0 H ASN A 13 6.212 -2.985 9.856 1.00 54.23 H new ATOM 0 HA ASN A 13 4.431 -3.914 7.817 1.00 13.42 H new ATOM 0 HB2 ASN A 13 4.999 -5.071 9.984 1.00 64.10 H new ATOM 0 HB3 ASN A 13 4.173 -3.800 10.864 1.00 64.10 H new ATOM 0 HD21 ASN A 13 1.816 -3.756 10.717 1.00 1.31 H new ATOM 0 HD22 ASN A 13 0.951 -5.200 10.179 1.00 1.31 H new ATOM 228 N GLU A 14 3.409 -1.393 9.723 1.00 21.22 N ATOM 229 CA GLU A 14 2.600 -0.164 9.801 1.00 5.01 C ATOM 230 C GLU A 14 2.782 0.679 8.532 1.00 33.54 C ATOM 231 O GLU A 14 1.800 1.140 7.938 1.00 15.33 O ATOM 232 CB GLU A 14 3.016 0.653 11.073 1.00 14.22 C ATOM 233 CG GLU A 14 2.896 2.184 10.924 1.00 51.02 C ATOM 234 CD GLU A 14 3.110 2.963 12.226 1.00 31.33 C ATOM 235 OE1 GLU A 14 4.280 3.258 12.564 1.00 34.34 O ATOM 236 OE2 GLU A 14 2.120 3.284 12.922 1.00 62.15 O ATOM 0 H GLU A 14 4.027 -1.513 10.525 1.00 21.22 H new ATOM 0 HA GLU A 14 1.546 -0.431 9.879 1.00 5.01 H new ATOM 0 HB2 GLU A 14 2.397 0.334 11.912 1.00 14.22 H new ATOM 0 HB3 GLU A 14 4.047 0.406 11.326 1.00 14.22 H new ATOM 0 HG2 GLU A 14 3.624 2.524 10.187 1.00 51.02 H new ATOM 0 HG3 GLU A 14 1.908 2.423 10.530 1.00 51.02 H new ATOM 243 N LYS A 15 4.060 0.870 8.147 1.00 23.20 N ATOM 244 CA LYS A 15 4.429 1.665 6.973 1.00 32.24 C ATOM 245 C LYS A 15 3.829 1.063 5.692 1.00 63.52 C ATOM 246 O LYS A 15 3.302 1.793 4.865 1.00 53.24 O ATOM 247 CB LYS A 15 5.968 1.760 6.820 1.00 60.42 C ATOM 248 CG LYS A 15 6.435 2.779 5.733 1.00 24.43 C ATOM 249 CD LYS A 15 7.602 2.279 4.846 1.00 51.33 C ATOM 250 CE LYS A 15 7.178 1.145 3.900 1.00 21.32 C ATOM 251 NZ LYS A 15 8.315 0.686 3.053 1.00 22.33 N ATOM 0 H LYS A 15 4.859 0.476 8.644 1.00 23.20 H new ATOM 0 HA LYS A 15 4.026 2.667 7.123 1.00 32.24 H new ATOM 0 HB2 LYS A 15 6.402 2.043 7.779 1.00 60.42 H new ATOM 0 HB3 LYS A 15 6.360 0.774 6.571 1.00 60.42 H new ATOM 0 HG2 LYS A 15 5.587 3.023 5.093 1.00 24.43 H new ATOM 0 HG3 LYS A 15 6.739 3.703 6.225 1.00 24.43 H new ATOM 0 HD2 LYS A 15 7.990 3.111 4.259 1.00 51.33 H new ATOM 0 HD3 LYS A 15 8.415 1.931 5.483 1.00 51.33 H new ATOM 0 HE2 LYS A 15 6.796 0.307 4.483 1.00 21.32 H new ATOM 0 HE3 LYS A 15 6.363 1.487 3.262 1.00 21.32 H new ATOM 0 HZ1 LYS A 15 7.986 0.548 2.076 1.00 22.33 H new ATOM 0 HZ2 LYS A 15 9.069 1.402 3.067 1.00 22.33 H new ATOM 0 HZ3 LYS A 15 8.684 -0.213 3.425 1.00 22.33 H new ATOM 265 N LEU A 16 3.882 -0.284 5.578 1.00 40.13 N ATOM 266 CA LEU A 16 3.373 -1.022 4.405 1.00 32.40 C ATOM 267 C LEU A 16 1.841 -0.930 4.322 1.00 53.41 C ATOM 268 O LEU A 16 1.266 -0.961 3.232 1.00 14.32 O ATOM 269 CB LEU A 16 3.841 -2.502 4.415 1.00 10.22 C ATOM 270 CG LEU A 16 5.367 -2.739 4.182 1.00 54.54 C ATOM 271 CD1 LEU A 16 5.721 -4.238 4.248 1.00 22.13 C ATOM 272 CD2 LEU A 16 5.843 -2.121 2.857 1.00 65.40 C ATOM 0 H LEU A 16 4.279 -0.887 6.298 1.00 40.13 H new ATOM 0 HA LEU A 16 3.791 -0.553 3.514 1.00 32.40 H new ATOM 0 HB2 LEU A 16 3.567 -2.942 5.374 1.00 10.22 H new ATOM 0 HB3 LEU A 16 3.288 -3.042 3.647 1.00 10.22 H new ATOM 0 HG LEU A 16 5.896 -2.234 4.990 1.00 54.54 H new ATOM 0 HD11 LEU A 16 6.790 -4.367 4.082 1.00 22.13 H new ATOM 0 HD12 LEU A 16 5.456 -4.631 5.229 1.00 22.13 H new ATOM 0 HD13 LEU A 16 5.167 -4.777 3.480 1.00 22.13 H new ATOM 0 HD21 LEU A 16 6.910 -2.307 2.731 1.00 65.40 H new ATOM 0 HD22 LEU A 16 5.296 -2.571 2.028 1.00 65.40 H new ATOM 0 HD23 LEU A 16 5.661 -1.046 2.871 1.00 65.40 H new ATOM 284 N LYS A 17 1.203 -0.794 5.488 1.00 11.41 N ATOM 285 CA LYS A 17 -0.242 -0.556 5.599 1.00 34.33 C ATOM 286 C LYS A 17 -0.580 0.912 5.221 1.00 25.05 C ATOM 287 O LYS A 17 -1.634 1.188 4.627 1.00 65.23 O ATOM 288 CB LYS A 17 -0.688 -0.948 7.037 1.00 64.32 C ATOM 289 CG LYS A 17 -2.173 -0.653 7.420 1.00 50.32 C ATOM 290 CD LYS A 17 -2.349 0.680 8.192 1.00 31.01 C ATOM 291 CE LYS A 17 -1.434 0.761 9.435 1.00 13.01 C ATOM 292 NZ LYS A 17 -1.716 1.961 10.264 1.00 53.23 N ATOM 0 H LYS A 17 1.677 -0.846 6.390 1.00 11.41 H new ATOM 0 HA LYS A 17 -0.800 -1.174 4.895 1.00 34.33 H new ATOM 0 HB2 LYS A 17 -0.509 -2.015 7.169 1.00 64.32 H new ATOM 0 HB3 LYS A 17 -0.045 -0.427 7.746 1.00 64.32 H new ATOM 0 HG2 LYS A 17 -2.777 -0.623 6.513 1.00 50.32 H new ATOM 0 HG3 LYS A 17 -2.554 -1.472 8.030 1.00 50.32 H new ATOM 0 HD2 LYS A 17 -2.129 1.515 7.526 1.00 31.01 H new ATOM 0 HD3 LYS A 17 -3.389 0.784 8.501 1.00 31.01 H new ATOM 0 HE2 LYS A 17 -1.567 -0.136 10.040 1.00 13.01 H new ATOM 0 HE3 LYS A 17 -0.392 0.779 9.116 1.00 13.01 H new ATOM 0 HZ1 LYS A 17 -1.079 1.973 11.086 1.00 53.23 H new ATOM 0 HZ2 LYS A 17 -1.564 2.819 9.696 1.00 53.23 H new ATOM 0 HZ3 LYS A 17 -2.703 1.933 10.592 1.00 53.23 H new ATOM 306 N ALA A 18 0.358 1.828 5.504 1.00 72.35 N ATOM 307 CA ALA A 18 0.189 3.268 5.245 1.00 22.43 C ATOM 308 C ALA A 18 0.321 3.570 3.739 1.00 32.31 C ATOM 309 O ALA A 18 -0.496 4.300 3.168 1.00 15.30 O ATOM 310 CB ALA A 18 1.215 4.063 6.074 1.00 42.43 C ATOM 0 H ALA A 18 1.259 1.591 5.920 1.00 72.35 H new ATOM 0 HA ALA A 18 -0.812 3.575 5.549 1.00 22.43 H new ATOM 0 HB1 ALA A 18 1.090 5.129 5.882 1.00 42.43 H new ATOM 0 HB2 ALA A 18 1.059 3.864 7.134 1.00 42.43 H new ATOM 0 HB3 ALA A 18 2.223 3.760 5.793 1.00 42.43 H new ATOM 316 N GLN A 19 1.340 2.972 3.100 1.00 45.31 N ATOM 317 CA GLN A 19 1.635 3.172 1.669 1.00 53.33 C ATOM 318 C GLN A 19 0.675 2.382 0.776 1.00 41.23 C ATOM 319 O GLN A 19 0.441 2.780 -0.373 1.00 23.23 O ATOM 320 CB GLN A 19 3.110 2.796 1.376 1.00 71.50 C ATOM 321 CG GLN A 19 3.536 1.394 1.872 1.00 51.41 C ATOM 322 CD GLN A 19 3.585 0.294 0.818 1.00 63.31 C ATOM 323 OE1 GLN A 19 4.588 0.129 0.120 1.00 13.44 O ATOM 324 NE2 GLN A 19 2.535 -0.512 0.737 1.00 42.14 N ATOM 0 H GLN A 19 1.986 2.333 3.563 1.00 45.31 H new ATOM 0 HA GLN A 19 1.488 4.227 1.436 1.00 53.33 H new ATOM 0 HB2 GLN A 19 3.277 2.851 0.300 1.00 71.50 H new ATOM 0 HB3 GLN A 19 3.758 3.541 1.837 1.00 71.50 H new ATOM 0 HG2 GLN A 19 4.523 1.477 2.327 1.00 51.41 H new ATOM 0 HG3 GLN A 19 2.847 1.085 2.658 1.00 51.41 H new ATOM 0 HE21 GLN A 19 1.720 -0.349 1.328 1.00 42.14 H new ATOM 0 HE22 GLN A 19 2.542 -1.295 0.083 1.00 42.14 H new ATOM 333 N LEU A 20 0.148 1.231 1.284 1.00 21.11 N ATOM 334 CA LEU A 20 -0.915 0.500 0.555 1.00 45.14 C ATOM 335 C LEU A 20 -2.160 1.375 0.522 1.00 44.24 C ATOM 336 O LEU A 20 -2.817 1.444 -0.499 1.00 13.25 O ATOM 337 CB LEU A 20 -1.203 -0.937 1.123 1.00 42.31 C ATOM 338 CG LEU A 20 -2.182 -1.152 2.356 1.00 1.12 C ATOM 339 CD1 LEU A 20 -3.685 -1.110 1.970 1.00 41.23 C ATOM 340 CD2 LEU A 20 -1.891 -2.485 3.075 1.00 72.13 C ATOM 0 H LEU A 20 0.434 0.806 2.166 1.00 21.11 H new ATOM 0 HA LEU A 20 -0.568 0.312 -0.461 1.00 45.14 H new ATOM 0 HB2 LEU A 20 -1.594 -1.533 0.298 1.00 42.31 H new ATOM 0 HB3 LEU A 20 -0.241 -1.368 1.401 1.00 42.31 H new ATOM 0 HG LEU A 20 -1.987 -0.313 3.024 1.00 1.12 H new ATOM 0 HD11 LEU A 20 -4.294 -1.264 2.861 1.00 41.23 H new ATOM 0 HD12 LEU A 20 -3.921 -0.140 1.532 1.00 41.23 H new ATOM 0 HD13 LEU A 20 -3.897 -1.896 1.245 1.00 41.23 H new ATOM 0 HD21 LEU A 20 -2.577 -2.603 3.914 1.00 72.13 H new ATOM 0 HD22 LEU A 20 -2.025 -3.312 2.377 1.00 72.13 H new ATOM 0 HD23 LEU A 20 -0.865 -2.484 3.443 1.00 72.13 H new ATOM 352 N HIS A 21 -2.451 2.052 1.662 1.00 73.22 N ATOM 353 CA HIS A 21 -3.572 3.002 1.772 1.00 12.34 C ATOM 354 C HIS A 21 -3.469 4.062 0.670 1.00 73.23 C ATOM 355 O HIS A 21 -4.444 4.294 -0.041 1.00 22.23 O ATOM 356 CB HIS A 21 -3.604 3.647 3.193 1.00 1.50 C ATOM 357 CG HIS A 21 -4.618 4.754 3.381 1.00 11.01 C ATOM 358 ND1 HIS A 21 -5.841 4.571 3.985 1.00 73.31 N ATOM 359 CD2 HIS A 21 -4.557 6.073 3.075 1.00 54.41 C ATOM 360 CE1 HIS A 21 -6.482 5.723 4.032 1.00 52.20 C ATOM 361 NE2 HIS A 21 -5.724 6.649 3.491 1.00 4.23 N ATOM 0 H HIS A 21 -1.914 1.951 2.523 1.00 73.22 H new ATOM 0 HA HIS A 21 -4.512 2.466 1.636 1.00 12.34 H new ATOM 0 HB2 HIS A 21 -3.806 2.864 3.924 1.00 1.50 H new ATOM 0 HB3 HIS A 21 -2.613 4.043 3.416 1.00 1.50 H new ATOM 0 HD2 HIS A 21 -3.734 6.578 2.590 1.00 54.41 H new ATOM 0 HE1 HIS A 21 -7.467 5.879 4.447 1.00 52.20 H new ATOM 0 HE2 HIS A 21 -5.966 7.635 3.397 1.00 4.23 H new ATOM 370 N ASP A 22 -2.267 4.668 0.523 1.00 12.40 N ATOM 371 CA ASP A 22 -1.994 5.663 -0.536 1.00 53.35 C ATOM 372 C ASP A 22 -2.355 5.112 -1.920 1.00 1.53 C ATOM 373 O ASP A 22 -3.178 5.693 -2.624 1.00 22.11 O ATOM 374 CB ASP A 22 -0.504 6.089 -0.540 1.00 31.01 C ATOM 375 CG ASP A 22 -0.113 6.968 0.653 1.00 2.22 C ATOM 376 OD1 ASP A 22 -0.443 8.174 0.640 1.00 65.02 O ATOM 377 OD2 ASP A 22 0.531 6.473 1.599 1.00 71.42 O ATOM 0 H ASP A 22 -1.468 4.482 1.129 1.00 12.40 H new ATOM 0 HA ASP A 22 -2.615 6.532 -0.319 1.00 53.35 H new ATOM 0 HB2 ASP A 22 0.120 5.196 -0.542 1.00 31.01 H new ATOM 0 HB3 ASP A 22 -0.292 6.629 -1.463 1.00 31.01 H new ATOM 382 N THR A 23 -1.753 3.961 -2.262 1.00 11.52 N ATOM 383 CA THR A 23 -1.871 3.362 -3.593 1.00 72.21 C ATOM 384 C THR A 23 -3.286 2.794 -3.858 1.00 70.33 C ATOM 385 O THR A 23 -3.723 2.785 -4.993 1.00 23.01 O ATOM 386 CB THR A 23 -0.757 2.292 -3.806 1.00 70.35 C ATOM 387 OG1 THR A 23 0.526 2.899 -3.552 1.00 75.05 O ATOM 388 CG2 THR A 23 -0.753 1.710 -5.234 1.00 43.44 C ATOM 0 H THR A 23 -1.171 3.423 -1.620 1.00 11.52 H new ATOM 0 HA THR A 23 -1.725 4.152 -4.330 1.00 72.21 H new ATOM 0 HB THR A 23 -0.957 1.472 -3.117 1.00 70.35 H new ATOM 0 HG1 THR A 23 0.671 2.964 -2.585 1.00 75.05 H new ATOM 0 HG21 THR A 23 0.043 0.971 -5.323 1.00 43.44 H new ATOM 0 HG22 THR A 23 -1.713 1.235 -5.436 1.00 43.44 H new ATOM 0 HG23 THR A 23 -0.586 2.512 -5.953 1.00 43.44 H new ATOM 396 N ASN A 24 -4.013 2.381 -2.796 1.00 31.43 N ATOM 397 CA ASN A 24 -5.401 1.861 -2.916 1.00 63.31 C ATOM 398 C ASN A 24 -6.351 3.002 -3.281 1.00 35.13 C ATOM 399 O ASN A 24 -7.190 2.870 -4.188 1.00 71.04 O ATOM 400 CB ASN A 24 -5.891 1.172 -1.598 1.00 2.24 C ATOM 401 CG ASN A 24 -5.372 -0.263 -1.364 1.00 61.41 C ATOM 402 OD1 ASN A 24 -4.136 -0.575 -1.747 1.00 22.44 O flip ATOM 403 ND2 ASN A 24 -6.087 -1.093 -0.810 1.00 52.31 N flip ATOM 0 H ASN A 24 -3.662 2.397 -1.838 1.00 31.43 H new ATOM 0 HA ASN A 24 -5.400 1.106 -3.703 1.00 63.31 H new ATOM 0 HB2 ASN A 24 -5.590 1.790 -0.752 1.00 2.24 H new ATOM 0 HB3 ASN A 24 -6.981 1.149 -1.605 1.00 2.24 H new ATOM 0 HD21 ASN A 24 -7.032 -0.841 -0.522 1.00 52.31 H new ATOM 0 HD22 ASN A 24 -5.736 -2.035 -0.638 1.00 52.31 H new ATOM 410 N MET A 25 -6.198 4.128 -2.568 1.00 42.12 N ATOM 411 CA MET A 25 -7.017 5.316 -2.782 1.00 73.23 C ATOM 412 C MET A 25 -6.745 5.927 -4.164 1.00 42.12 C ATOM 413 O MET A 25 -7.676 6.098 -4.946 1.00 50.14 O ATOM 414 CB MET A 25 -6.760 6.333 -1.654 1.00 14.33 C ATOM 415 CG MET A 25 -7.098 5.835 -0.234 1.00 14.24 C ATOM 416 SD MET A 25 -8.870 5.602 0.079 1.00 53.15 S ATOM 417 CE MET A 25 -9.143 3.876 -0.351 1.00 52.03 C ATOM 0 H MET A 25 -5.502 4.234 -1.830 1.00 42.12 H new ATOM 0 HA MET A 25 -8.069 5.033 -2.757 1.00 73.23 H new ATOM 0 HB2 MET A 25 -5.710 6.623 -1.680 1.00 14.33 H new ATOM 0 HB3 MET A 25 -7.344 7.231 -1.856 1.00 14.33 H new ATOM 0 HG2 MET A 25 -6.584 4.889 -0.062 1.00 14.24 H new ATOM 0 HG3 MET A 25 -6.704 6.548 0.491 1.00 14.24 H new ATOM 0 HE1 MET A 25 -10.076 3.783 -0.908 1.00 52.03 H new ATOM 0 HE2 MET A 25 -8.317 3.519 -0.965 1.00 52.03 H new ATOM 0 HE3 MET A 25 -9.202 3.279 0.559 1.00 52.03 H new ATOM 427 N GLU A 26 -5.459 6.187 -4.480 1.00 73.30 N ATOM 428 CA GLU A 26 -5.063 6.819 -5.756 1.00 54.22 C ATOM 429 C GLU A 26 -5.292 5.872 -6.948 1.00 34.23 C ATOM 430 O GLU A 26 -5.339 6.331 -8.079 1.00 72.40 O ATOM 431 CB GLU A 26 -3.588 7.303 -5.710 1.00 71.22 C ATOM 432 CG GLU A 26 -2.538 6.179 -5.763 1.00 30.53 C ATOM 433 CD GLU A 26 -1.093 6.683 -5.635 1.00 4.52 C ATOM 434 OE1 GLU A 26 -0.595 7.308 -6.598 1.00 24.43 O ATOM 435 OE2 GLU A 26 -0.438 6.441 -4.591 1.00 22.12 O ATOM 0 H GLU A 26 -4.674 5.968 -3.866 1.00 73.30 H new ATOM 0 HA GLU A 26 -5.700 7.692 -5.898 1.00 54.22 H new ATOM 0 HB2 GLU A 26 -3.417 7.981 -6.546 1.00 71.22 H new ATOM 0 HB3 GLU A 26 -3.438 7.879 -4.797 1.00 71.22 H new ATOM 0 HG2 GLU A 26 -2.738 5.468 -4.962 1.00 30.53 H new ATOM 0 HG3 GLU A 26 -2.644 5.638 -6.703 1.00 30.53 H new ATOM 442 N LEU A 27 -5.422 4.551 -6.683 1.00 54.53 N ATOM 443 CA LEU A 27 -5.863 3.573 -7.697 1.00 51.43 C ATOM 444 C LEU A 27 -7.322 3.855 -8.055 1.00 31.24 C ATOM 445 O LEU A 27 -7.659 3.937 -9.231 1.00 5.15 O ATOM 446 CB LEU A 27 -5.674 2.134 -7.143 1.00 44.11 C ATOM 447 CG LEU A 27 -5.892 0.907 -8.103 1.00 22.14 C ATOM 448 CD1 LEU A 27 -5.227 -0.345 -7.508 1.00 54.32 C ATOM 449 CD2 LEU A 27 -7.387 0.611 -8.385 1.00 55.25 C ATOM 0 H LEU A 27 -5.226 4.140 -5.770 1.00 54.53 H new ATOM 0 HA LEU A 27 -5.265 3.662 -8.604 1.00 51.43 H new ATOM 0 HB2 LEU A 27 -4.661 2.065 -6.748 1.00 44.11 H new ATOM 0 HB3 LEU A 27 -6.354 2.015 -6.299 1.00 44.11 H new ATOM 0 HG LEU A 27 -5.432 1.170 -9.056 1.00 22.14 H new ATOM 0 HD11 LEU A 27 -5.381 -1.192 -8.177 1.00 54.32 H new ATOM 0 HD12 LEU A 27 -4.158 -0.167 -7.388 1.00 54.32 H new ATOM 0 HD13 LEU A 27 -5.669 -0.565 -6.536 1.00 54.32 H new ATOM 0 HD21 LEU A 27 -7.468 -0.246 -9.053 1.00 55.25 H new ATOM 0 HD22 LEU A 27 -7.897 0.390 -7.448 1.00 55.25 H new ATOM 0 HD23 LEU A 27 -7.848 1.481 -8.853 1.00 55.25 H new ATOM 461 N THR A 28 -8.169 4.023 -7.011 1.00 10.20 N ATOM 462 CA THR A 28 -9.611 4.294 -7.157 1.00 43.41 C ATOM 463 C THR A 28 -9.825 5.597 -7.952 1.00 25.55 C ATOM 464 O THR A 28 -10.687 5.663 -8.836 1.00 61.14 O ATOM 465 CB THR A 28 -10.294 4.369 -5.750 1.00 71.44 C ATOM 466 OG1 THR A 28 -9.995 3.175 -5.002 1.00 34.44 O ATOM 467 CG2 THR A 28 -11.820 4.518 -5.844 1.00 1.43 C ATOM 0 H THR A 28 -7.864 3.973 -6.039 1.00 10.20 H new ATOM 0 HA THR A 28 -10.074 3.478 -7.711 1.00 43.41 H new ATOM 0 HB THR A 28 -9.898 5.253 -5.251 1.00 71.44 H new ATOM 0 HG1 THR A 28 -9.060 3.198 -4.709 1.00 34.44 H new ATOM 0 HG21 THR A 28 -12.243 4.565 -4.841 1.00 1.43 H new ATOM 0 HG22 THR A 28 -12.064 5.433 -6.384 1.00 1.43 H new ATOM 0 HG23 THR A 28 -12.237 3.662 -6.374 1.00 1.43 H new ATOM 475 N ASP A 29 -8.979 6.600 -7.643 1.00 54.53 N ATOM 476 CA ASP A 29 -8.880 7.843 -8.417 1.00 74.45 C ATOM 477 C ASP A 29 -8.524 7.539 -9.882 1.00 15.30 C ATOM 478 O ASP A 29 -9.288 7.858 -10.782 1.00 23.04 O ATOM 479 CB ASP A 29 -7.799 8.783 -7.817 1.00 3.45 C ATOM 480 CG ASP A 29 -8.203 9.444 -6.490 1.00 34.24 C ATOM 481 OD1 ASP A 29 -8.072 8.810 -5.442 1.00 52.11 O ATOM 482 OD2 ASP A 29 -8.632 10.619 -6.489 1.00 72.24 O ATOM 0 H ASP A 29 -8.345 6.566 -6.845 1.00 54.53 H new ATOM 0 HA ASP A 29 -9.850 8.338 -8.373 1.00 74.45 H new ATOM 0 HB2 ASP A 29 -6.884 8.212 -7.661 1.00 3.45 H new ATOM 0 HB3 ASP A 29 -7.569 9.563 -8.543 1.00 3.45 H new ATOM 487 N LEU A 30 -7.374 6.867 -10.080 1.00 32.42 N ATOM 488 CA LEU A 30 -6.775 6.632 -11.413 1.00 34.54 C ATOM 489 C LEU A 30 -7.687 5.812 -12.336 1.00 64.11 C ATOM 490 O LEU A 30 -7.646 6.019 -13.536 1.00 33.33 O ATOM 491 CB LEU A 30 -5.351 5.972 -11.292 1.00 40.11 C ATOM 492 CG LEU A 30 -4.121 6.922 -11.501 1.00 21.42 C ATOM 493 CD1 LEU A 30 -4.070 7.463 -12.953 1.00 74.30 C ATOM 494 CD2 LEU A 30 -4.099 8.073 -10.461 1.00 42.31 C ATOM 0 H LEU A 30 -6.829 6.468 -9.316 1.00 32.42 H new ATOM 0 HA LEU A 30 -6.659 7.612 -11.877 1.00 34.54 H new ATOM 0 HB2 LEU A 30 -5.268 5.518 -10.305 1.00 40.11 H new ATOM 0 HB3 LEU A 30 -5.286 5.164 -12.021 1.00 40.11 H new ATOM 0 HG LEU A 30 -3.221 6.330 -11.339 1.00 21.42 H new ATOM 0 HD11 LEU A 30 -3.207 8.118 -13.067 1.00 74.30 H new ATOM 0 HD12 LEU A 30 -3.987 6.629 -13.649 1.00 74.30 H new ATOM 0 HD13 LEU A 30 -4.981 8.023 -13.165 1.00 74.30 H new ATOM 0 HD21 LEU A 30 -3.232 8.709 -10.640 1.00 42.31 H new ATOM 0 HD22 LEU A 30 -5.009 8.666 -10.555 1.00 42.31 H new ATOM 0 HD23 LEU A 30 -4.041 7.654 -9.456 1.00 42.31 H new ATOM 506 N LYS A 31 -8.503 4.899 -11.782 1.00 71.01 N ATOM 507 CA LYS A 31 -9.414 4.068 -12.605 1.00 23.44 C ATOM 508 C LYS A 31 -10.700 4.841 -12.914 1.00 72.43 C ATOM 509 O LYS A 31 -11.255 4.711 -14.006 1.00 62.53 O ATOM 510 CB LYS A 31 -9.675 2.670 -11.949 1.00 54.34 C ATOM 511 CG LYS A 31 -10.289 2.642 -10.525 1.00 63.04 C ATOM 512 CD LYS A 31 -11.827 2.818 -10.483 1.00 25.40 C ATOM 513 CE LYS A 31 -12.583 1.679 -11.188 1.00 11.12 C ATOM 514 NZ LYS A 31 -14.052 1.900 -11.168 1.00 44.34 N ATOM 0 H LYS A 31 -8.555 4.715 -10.780 1.00 71.01 H new ATOM 0 HA LYS A 31 -8.931 3.855 -13.558 1.00 23.44 H new ATOM 0 HB2 LYS A 31 -10.336 2.108 -12.610 1.00 54.34 H new ATOM 0 HB3 LYS A 31 -8.727 2.134 -11.915 1.00 54.34 H new ATOM 0 HG2 LYS A 31 -10.032 1.695 -10.051 1.00 63.04 H new ATOM 0 HG3 LYS A 31 -9.830 3.431 -9.930 1.00 63.04 H new ATOM 0 HD2 LYS A 31 -12.152 2.874 -9.444 1.00 25.40 H new ATOM 0 HD3 LYS A 31 -12.091 3.766 -10.951 1.00 25.40 H new ATOM 0 HE2 LYS A 31 -12.241 1.599 -12.220 1.00 11.12 H new ATOM 0 HE3 LYS A 31 -12.351 0.732 -10.701 1.00 11.12 H new ATOM 0 HZ1 LYS A 31 -14.528 1.112 -11.652 1.00 44.34 H new ATOM 0 HZ2 LYS A 31 -14.382 1.951 -10.183 1.00 44.34 H new ATOM 0 HZ3 LYS A 31 -14.276 2.791 -11.655 1.00 44.34 H new ATOM 528 N LEU A 32 -11.134 5.678 -11.953 1.00 31.44 N ATOM 529 CA LEU A 32 -12.333 6.510 -12.090 1.00 63.31 C ATOM 530 C LEU A 32 -12.139 7.532 -13.219 1.00 73.04 C ATOM 531 O LEU A 32 -12.945 7.612 -14.156 1.00 41.11 O ATOM 532 CB LEU A 32 -12.628 7.227 -10.746 1.00 73.54 C ATOM 533 CG LEU A 32 -13.905 8.116 -10.700 1.00 33.12 C ATOM 534 CD1 LEU A 32 -15.177 7.291 -10.981 1.00 1.10 C ATOM 535 CD2 LEU A 32 -14.003 8.877 -9.361 1.00 33.44 C ATOM 0 H LEU A 32 -10.658 5.793 -11.058 1.00 31.44 H new ATOM 0 HA LEU A 32 -13.184 5.878 -12.343 1.00 63.31 H new ATOM 0 HB2 LEU A 32 -12.711 6.470 -9.966 1.00 73.54 H new ATOM 0 HB3 LEU A 32 -11.769 7.850 -10.496 1.00 73.54 H new ATOM 0 HG LEU A 32 -13.823 8.858 -11.494 1.00 33.12 H new ATOM 0 HD11 LEU A 32 -16.050 7.943 -10.941 1.00 1.10 H new ATOM 0 HD12 LEU A 32 -15.106 6.839 -11.970 1.00 1.10 H new ATOM 0 HD13 LEU A 32 -15.275 6.507 -10.230 1.00 1.10 H new ATOM 0 HD21 LEU A 32 -14.904 9.490 -9.356 1.00 33.44 H new ATOM 0 HD22 LEU A 32 -14.046 8.163 -8.539 1.00 33.44 H new ATOM 0 HD23 LEU A 32 -13.128 9.516 -9.241 1.00 33.44 H new ATOM 547 N GLN A 33 -11.028 8.277 -13.136 1.00 13.23 N ATOM 548 CA GLN A 33 -10.678 9.295 -14.129 1.00 55.44 C ATOM 549 C GLN A 33 -10.289 8.650 -15.470 1.00 12.03 C ATOM 550 O GLN A 33 -10.600 9.209 -16.546 1.00 3.41 O ATOM 551 CB GLN A 33 -9.593 10.263 -13.557 1.00 75.24 C ATOM 552 CG GLN A 33 -8.239 9.654 -13.095 1.00 21.23 C ATOM 553 CD GLN A 33 -7.138 9.551 -14.156 1.00 61.24 C ATOM 554 OE1 GLN A 33 -6.398 10.500 -14.397 1.00 42.14 O ATOM 555 NE2 GLN A 33 -7.011 8.407 -14.789 1.00 35.02 N ATOM 0 H GLN A 33 -10.350 8.189 -12.379 1.00 13.23 H new ATOM 0 HA GLN A 33 -11.554 9.907 -14.342 1.00 55.44 H new ATOM 0 HB2 GLN A 33 -9.379 11.012 -14.319 1.00 75.24 H new ATOM 0 HB3 GLN A 33 -10.029 10.789 -12.708 1.00 75.24 H new ATOM 0 HG2 GLN A 33 -7.860 10.253 -12.267 1.00 21.23 H new ATOM 0 HG3 GLN A 33 -8.430 8.655 -12.704 1.00 21.23 H new ATOM 0 HE21 GLN A 33 -7.637 7.632 -14.572 1.00 35.02 H new ATOM 0 HE22 GLN A 33 -6.286 8.294 -15.497 1.00 35.02 H new ATOM 564 N LEU A 34 -9.684 7.435 -15.402 1.00 53.21 N ATOM 565 CA LEU A 34 -9.305 6.664 -16.605 1.00 40.41 C ATOM 566 C LEU A 34 -10.497 6.561 -17.545 1.00 1.13 C ATOM 567 O LEU A 34 -10.456 7.139 -18.639 1.00 32.14 O ATOM 568 CB LEU A 34 -8.802 5.241 -16.210 1.00 21.35 C ATOM 569 CG LEU A 34 -8.045 4.387 -17.283 1.00 41.03 C ATOM 570 CD1 LEU A 34 -8.973 3.725 -18.330 1.00 23.34 C ATOM 571 CD2 LEU A 34 -6.965 5.236 -17.962 1.00 21.45 C ATOM 0 H LEU A 34 -9.450 6.972 -14.524 1.00 53.21 H new ATOM 0 HA LEU A 34 -8.493 7.183 -17.114 1.00 40.41 H new ATOM 0 HB2 LEU A 34 -8.142 5.351 -15.349 1.00 21.35 H new ATOM 0 HB3 LEU A 34 -9.666 4.665 -15.878 1.00 21.35 H new ATOM 0 HG LEU A 34 -7.579 3.560 -16.748 1.00 41.03 H new ATOM 0 HD11 LEU A 34 -8.373 3.152 -19.037 1.00 23.34 H new ATOM 0 HD12 LEU A 34 -9.674 3.060 -17.826 1.00 23.34 H new ATOM 0 HD13 LEU A 34 -9.526 4.497 -18.865 1.00 23.34 H new ATOM 0 HD21 LEU A 34 -6.444 4.634 -18.706 1.00 21.45 H new ATOM 0 HD22 LEU A 34 -7.429 6.094 -18.449 1.00 21.45 H new ATOM 0 HD23 LEU A 34 -6.253 5.585 -17.214 1.00 21.45 H new ATOM 774 N PHE B 102 9.351 -15.577 21.945 1.00 33.44 N ATOM 775 CA PHE B 102 9.309 -14.324 21.162 1.00 5.31 C ATOM 776 C PHE B 102 9.664 -14.585 19.685 1.00 63.21 C ATOM 777 O PHE B 102 9.430 -13.733 18.814 1.00 52.34 O ATOM 778 CB PHE B 102 10.277 -13.300 21.783 1.00 25.21 C ATOM 779 CG PHE B 102 9.892 -12.804 23.183 1.00 31.44 C ATOM 780 CD1 PHE B 102 10.322 -13.462 24.333 1.00 33.32 C ATOM 781 CD2 PHE B 102 9.119 -11.653 23.344 1.00 51.43 C ATOM 782 CE1 PHE B 102 9.998 -12.984 25.589 1.00 63.52 C ATOM 783 CE2 PHE B 102 8.794 -11.178 24.590 1.00 21.43 C ATOM 784 CZ PHE B 102 9.236 -11.841 25.716 1.00 10.45 C ATOM 0 HA PHE B 102 8.296 -13.922 21.191 1.00 5.31 H new ATOM 0 HB2 PHE B 102 11.270 -13.747 21.833 1.00 25.21 H new ATOM 0 HB3 PHE B 102 10.348 -12.440 21.117 1.00 25.21 H new ATOM 0 HD1 PHE B 102 10.917 -14.359 24.242 1.00 33.32 H new ATOM 0 HD2 PHE B 102 8.769 -11.125 22.469 1.00 51.43 H new ATOM 0 HE1 PHE B 102 10.341 -13.505 26.470 1.00 63.52 H new ATOM 0 HE2 PHE B 102 8.193 -10.286 24.689 1.00 21.43 H new ATOM 0 HZ PHE B 102 8.986 -11.465 26.697 1.00 10.45 H new ATOM 794 N LYS B 103 10.209 -15.782 19.405 1.00 31.35 N ATOM 795 CA LYS B 103 10.532 -16.232 18.030 1.00 43.42 C ATOM 796 C LYS B 103 9.267 -16.202 17.146 1.00 23.15 C ATOM 797 O LYS B 103 9.319 -15.911 15.942 1.00 64.31 O ATOM 798 CB LYS B 103 11.190 -17.655 18.070 1.00 55.32 C ATOM 799 CG LYS B 103 10.271 -18.895 18.306 1.00 21.53 C ATOM 800 CD LYS B 103 9.289 -18.782 19.510 1.00 42.11 C ATOM 801 CE LYS B 103 9.002 -20.134 20.178 1.00 44.41 C ATOM 802 NZ LYS B 103 10.222 -20.761 20.783 1.00 61.04 N ATOM 0 H LYS B 103 10.440 -16.469 20.123 1.00 31.35 H new ATOM 0 HA LYS B 103 11.255 -15.548 17.585 1.00 43.42 H new ATOM 0 HB2 LYS B 103 11.713 -17.805 17.125 1.00 55.32 H new ATOM 0 HB3 LYS B 103 11.946 -17.649 18.855 1.00 55.32 H new ATOM 0 HG2 LYS B 103 9.690 -19.072 17.401 1.00 21.53 H new ATOM 0 HG3 LYS B 103 10.903 -19.770 18.456 1.00 21.53 H new ATOM 0 HD2 LYS B 103 9.707 -18.099 20.250 1.00 42.11 H new ATOM 0 HD3 LYS B 103 8.351 -18.346 19.167 1.00 42.11 H new ATOM 0 HE2 LYS B 103 8.249 -19.997 20.954 1.00 44.41 H new ATOM 0 HE3 LYS B 103 8.579 -20.815 19.440 1.00 44.41 H new ATOM 0 HZ1 LYS B 103 9.935 -21.455 21.502 1.00 61.04 H new ATOM 0 HZ2 LYS B 103 10.771 -21.239 20.040 1.00 61.04 H new ATOM 0 HZ3 LYS B 103 10.807 -20.025 21.227 1.00 61.04 H new ATOM 816 N LYS B 104 8.127 -16.453 17.808 1.00 52.20 N ATOM 817 CA LYS B 104 6.817 -16.443 17.194 1.00 33.22 C ATOM 818 C LYS B 104 6.401 -15.010 16.832 1.00 3.41 C ATOM 819 O LYS B 104 5.846 -14.825 15.768 1.00 45.25 O ATOM 820 CB LYS B 104 5.790 -17.160 18.119 1.00 74.43 C ATOM 821 CG LYS B 104 5.606 -16.556 19.543 1.00 45.44 C ATOM 822 CD LYS B 104 4.507 -15.471 19.654 1.00 53.01 C ATOM 823 CE LYS B 104 3.120 -15.946 19.179 1.00 13.32 C ATOM 824 NZ LYS B 104 2.578 -17.046 20.027 1.00 1.21 N ATOM 0 H LYS B 104 8.104 -16.671 18.804 1.00 52.20 H new ATOM 0 HA LYS B 104 6.847 -17.000 16.258 1.00 33.22 H new ATOM 0 HB2 LYS B 104 4.821 -17.160 17.619 1.00 74.43 H new ATOM 0 HB3 LYS B 104 6.094 -18.201 18.225 1.00 74.43 H new ATOM 0 HG2 LYS B 104 5.370 -17.363 20.237 1.00 45.44 H new ATOM 0 HG3 LYS B 104 6.555 -16.126 19.865 1.00 45.44 H new ATOM 0 HD2 LYS B 104 4.434 -15.144 20.691 1.00 53.01 H new ATOM 0 HD3 LYS B 104 4.805 -14.603 19.067 1.00 53.01 H new ATOM 0 HE2 LYS B 104 2.426 -15.105 19.191 1.00 13.32 H new ATOM 0 HE3 LYS B 104 3.189 -16.287 18.146 1.00 13.32 H new ATOM 0 HZ1 LYS B 104 1.644 -17.332 19.669 1.00 1.21 H new ATOM 0 HZ2 LYS B 104 3.225 -17.860 19.996 1.00 1.21 H new ATOM 0 HZ3 LYS B 104 2.486 -16.715 21.008 1.00 1.21 H new ATOM 838 N LEU B 105 6.709 -13.991 17.703 1.00 3.33 N ATOM 839 CA LEU B 105 6.320 -12.578 17.433 1.00 51.31 C ATOM 840 C LEU B 105 6.962 -12.138 16.123 1.00 52.20 C ATOM 841 O LEU B 105 6.322 -11.462 15.298 1.00 71.31 O ATOM 842 CB LEU B 105 6.682 -11.606 18.638 1.00 72.30 C ATOM 843 CG LEU B 105 8.100 -10.877 18.687 1.00 64.03 C ATOM 844 CD1 LEU B 105 8.221 -9.673 17.724 1.00 2.41 C ATOM 845 CD2 LEU B 105 8.458 -10.403 20.102 1.00 10.35 C ATOM 0 H LEU B 105 7.215 -14.126 18.578 1.00 3.33 H new ATOM 0 HA LEU B 105 5.236 -12.521 17.338 1.00 51.31 H new ATOM 0 HB2 LEU B 105 5.919 -10.829 18.666 1.00 72.30 H new ATOM 0 HB3 LEU B 105 6.584 -12.182 19.558 1.00 72.30 H new ATOM 0 HG LEU B 105 8.802 -11.644 18.360 1.00 64.03 H new ATOM 0 HD11 LEU B 105 9.213 -9.231 17.816 1.00 2.41 H new ATOM 0 HD12 LEU B 105 8.068 -10.010 16.699 1.00 2.41 H new ATOM 0 HD13 LEU B 105 7.467 -8.927 17.977 1.00 2.41 H new ATOM 0 HD21 LEU B 105 9.431 -9.913 20.086 1.00 10.35 H new ATOM 0 HD22 LEU B 105 7.703 -9.699 20.452 1.00 10.35 H new ATOM 0 HD23 LEU B 105 8.494 -11.260 20.775 1.00 10.35 H new ATOM 857 N TYR B 106 8.243 -12.554 15.959 1.00 0.41 N ATOM 858 CA TYR B 106 9.014 -12.300 14.741 1.00 73.55 C ATOM 859 C TYR B 106 8.247 -12.853 13.530 1.00 12.05 C ATOM 860 O TYR B 106 7.965 -12.120 12.597 1.00 1.43 O ATOM 861 CB TYR B 106 10.438 -12.921 14.839 1.00 70.21 C ATOM 862 CG TYR B 106 11.426 -12.382 13.787 1.00 53.53 C ATOM 863 CD1 TYR B 106 11.704 -13.068 12.600 1.00 2.11 C ATOM 864 CD2 TYR B 106 12.073 -11.163 13.990 1.00 42.34 C ATOM 865 CE1 TYR B 106 12.604 -12.559 11.671 1.00 61.32 C ATOM 866 CE2 TYR B 106 12.967 -10.647 13.067 1.00 15.52 C ATOM 867 CZ TYR B 106 13.228 -11.346 11.905 1.00 75.00 C ATOM 868 OH TYR B 106 14.126 -10.843 10.977 1.00 62.22 O ATOM 0 H TYR B 106 8.758 -13.072 16.671 1.00 0.41 H new ATOM 0 HA TYR B 106 9.142 -11.225 14.618 1.00 73.55 H new ATOM 0 HB2 TYR B 106 10.840 -12.729 15.834 1.00 70.21 H new ATOM 0 HB3 TYR B 106 10.361 -14.003 14.730 1.00 70.21 H new ATOM 0 HD1 TYR B 106 11.211 -14.008 12.402 1.00 2.11 H new ATOM 0 HD2 TYR B 106 11.871 -10.606 14.893 1.00 42.34 H new ATOM 0 HE1 TYR B 106 12.816 -13.110 10.767 1.00 61.32 H new ATOM 0 HE2 TYR B 106 13.457 -9.703 13.255 1.00 15.52 H new ATOM 0 HH TYR B 106 14.474 -9.983 11.292 1.00 62.22 H new ATOM 878 N GLU B 107 7.845 -14.128 13.621 1.00 15.21 N ATOM 879 CA GLU B 107 7.132 -14.835 12.544 1.00 31.44 C ATOM 880 C GLU B 107 5.740 -14.243 12.238 1.00 54.20 C ATOM 881 O GLU B 107 5.332 -14.231 11.077 1.00 43.24 O ATOM 882 CB GLU B 107 6.994 -16.320 12.928 1.00 3.50 C ATOM 883 CG GLU B 107 8.327 -17.089 13.029 1.00 20.23 C ATOM 884 CD GLU B 107 9.229 -16.976 11.782 1.00 73.31 C ATOM 885 OE1 GLU B 107 9.040 -17.751 10.824 1.00 61.42 O ATOM 886 OE2 GLU B 107 10.147 -16.124 11.759 1.00 70.32 O ATOM 0 H GLU B 107 8.005 -14.703 14.448 1.00 15.21 H new ATOM 0 HA GLU B 107 7.722 -14.718 11.635 1.00 31.44 H new ATOM 0 HB2 GLU B 107 6.479 -16.386 13.886 1.00 3.50 H new ATOM 0 HB3 GLU B 107 6.361 -16.814 12.191 1.00 3.50 H new ATOM 0 HG2 GLU B 107 8.878 -16.722 13.895 1.00 20.23 H new ATOM 0 HG3 GLU B 107 8.111 -18.142 13.211 1.00 20.23 H new ATOM 893 N GLN B 108 5.018 -13.775 13.278 1.00 51.41 N ATOM 894 CA GLN B 108 3.626 -13.268 13.128 1.00 74.12 C ATOM 895 C GLN B 108 3.605 -11.984 12.298 1.00 22.41 C ATOM 896 O GLN B 108 2.956 -11.926 11.241 1.00 10.14 O ATOM 897 CB GLN B 108 2.928 -13.001 14.504 1.00 54.25 C ATOM 898 CG GLN B 108 2.858 -14.202 15.474 1.00 21.44 C ATOM 899 CD GLN B 108 2.565 -15.543 14.792 1.00 15.13 C ATOM 900 OE1 GLN B 108 1.412 -15.965 14.651 1.00 24.32 O ATOM 901 NE2 GLN B 108 3.623 -16.216 14.354 1.00 43.34 N ATOM 0 H GLN B 108 5.371 -13.735 14.234 1.00 51.41 H new ATOM 0 HA GLN B 108 3.069 -14.053 12.616 1.00 74.12 H new ATOM 0 HB2 GLN B 108 3.453 -12.187 15.003 1.00 54.25 H new ATOM 0 HB3 GLN B 108 1.912 -12.655 14.312 1.00 54.25 H new ATOM 0 HG2 GLN B 108 3.805 -14.278 16.009 1.00 21.44 H new ATOM 0 HG3 GLN B 108 2.086 -14.009 16.218 1.00 21.44 H new ATOM 0 HE21 GLN B 108 4.560 -15.836 14.488 1.00 43.34 H new ATOM 0 HE22 GLN B 108 3.498 -17.112 13.883 1.00 43.34 H new ATOM 910 N ILE B 109 4.330 -10.960 12.794 1.00 23.51 N ATOM 911 CA ILE B 109 4.379 -9.639 12.155 1.00 31.05 C ATOM 912 C ILE B 109 5.022 -9.746 10.753 1.00 14.23 C ATOM 913 O ILE B 109 4.598 -9.065 9.825 1.00 24.02 O ATOM 914 CB ILE B 109 5.182 -8.589 13.013 1.00 22.14 C ATOM 915 CG1 ILE B 109 4.794 -8.638 14.524 1.00 1.31 C ATOM 916 CG2 ILE B 109 4.968 -7.161 12.450 1.00 5.55 C ATOM 917 CD1 ILE B 109 5.644 -7.732 15.399 1.00 74.34 C ATOM 0 H ILE B 109 4.892 -11.029 13.642 1.00 23.51 H new ATOM 0 HA ILE B 109 3.350 -9.290 12.071 1.00 31.05 H new ATOM 0 HB ILE B 109 6.237 -8.852 12.942 1.00 22.14 H new ATOM 0 HG12 ILE B 109 3.747 -8.355 14.631 1.00 1.31 H new ATOM 0 HG13 ILE B 109 4.885 -9.664 14.881 1.00 1.31 H new ATOM 0 HG21 ILE B 109 5.528 -6.445 13.052 1.00 5.55 H new ATOM 0 HG22 ILE B 109 5.318 -7.120 11.418 1.00 5.55 H new ATOM 0 HG23 ILE B 109 3.907 -6.912 12.483 1.00 5.55 H new ATOM 0 HD11 ILE B 109 5.318 -7.817 16.436 1.00 74.34 H new ATOM 0 HD12 ILE B 109 6.690 -8.029 15.322 1.00 74.34 H new ATOM 0 HD13 ILE B 109 5.534 -6.699 15.068 1.00 74.34 H new ATOM 929 N LEU B 110 6.045 -10.628 10.627 1.00 40.25 N ATOM 930 CA LEU B 110 6.774 -10.864 9.356 1.00 22.41 C ATOM 931 C LEU B 110 5.865 -11.566 8.332 1.00 60.30 C ATOM 932 O LEU B 110 5.943 -11.260 7.152 1.00 53.23 O ATOM 933 CB LEU B 110 8.090 -11.677 9.614 1.00 40.42 C ATOM 934 CG LEU B 110 9.263 -11.560 8.566 1.00 44.10 C ATOM 935 CD1 LEU B 110 8.970 -12.290 7.235 1.00 51.32 C ATOM 936 CD2 LEU B 110 9.643 -10.079 8.316 1.00 50.54 C ATOM 0 H LEU B 110 6.387 -11.195 11.403 1.00 40.25 H new ATOM 0 HA LEU B 110 7.061 -9.900 8.936 1.00 22.41 H new ATOM 0 HB2 LEU B 110 8.482 -11.375 10.585 1.00 40.42 H new ATOM 0 HB3 LEU B 110 7.819 -12.730 9.693 1.00 40.42 H new ATOM 0 HG LEU B 110 10.118 -12.069 9.011 1.00 44.10 H new ATOM 0 HD11 LEU B 110 9.817 -12.170 6.560 1.00 51.32 H new ATOM 0 HD12 LEU B 110 8.809 -13.350 7.429 1.00 51.32 H new ATOM 0 HD13 LEU B 110 8.077 -11.865 6.776 1.00 51.32 H new ATOM 0 HD21 LEU B 110 10.454 -10.029 7.589 1.00 50.54 H new ATOM 0 HD22 LEU B 110 8.777 -9.541 7.930 1.00 50.54 H new ATOM 0 HD23 LEU B 110 9.966 -9.623 9.252 1.00 50.54 H new ATOM 948 N ALA B 111 4.999 -12.489 8.796 1.00 51.15 N ATOM 949 CA ALA B 111 4.029 -13.189 7.917 1.00 4.44 C ATOM 950 C ALA B 111 3.059 -12.184 7.276 1.00 12.03 C ATOM 951 O ALA B 111 2.772 -12.259 6.072 1.00 21.13 O ATOM 952 CB ALA B 111 3.243 -14.252 8.700 1.00 63.20 C ATOM 0 H ALA B 111 4.948 -12.770 9.775 1.00 51.15 H new ATOM 0 HA ALA B 111 4.592 -13.688 7.129 1.00 4.44 H new ATOM 0 HB1 ALA B 111 2.540 -14.750 8.032 1.00 63.20 H new ATOM 0 HB2 ALA B 111 3.935 -14.987 9.111 1.00 63.20 H new ATOM 0 HB3 ALA B 111 2.696 -13.775 9.513 1.00 63.20 H new ATOM 958 N GLU B 112 2.580 -11.235 8.104 1.00 22.35 N ATOM 959 CA GLU B 112 1.718 -10.143 7.644 1.00 62.34 C ATOM 960 C GLU B 112 2.498 -9.204 6.701 1.00 12.02 C ATOM 961 O GLU B 112 2.011 -8.836 5.640 1.00 31.20 O ATOM 962 CB GLU B 112 1.179 -9.324 8.840 1.00 12.41 C ATOM 963 CG GLU B 112 0.057 -8.325 8.469 1.00 5.13 C ATOM 964 CD GLU B 112 -1.297 -9.005 8.205 1.00 22.01 C ATOM 965 OE1 GLU B 112 -1.545 -9.448 7.073 1.00 53.34 O ATOM 966 OE2 GLU B 112 -2.118 -9.108 9.142 1.00 33.55 O ATOM 0 H GLU B 112 2.782 -11.209 9.104 1.00 22.35 H new ATOM 0 HA GLU B 112 0.878 -10.586 7.108 1.00 62.34 H new ATOM 0 HB2 GLU B 112 0.802 -10.012 9.597 1.00 12.41 H new ATOM 0 HB3 GLU B 112 2.005 -8.774 9.292 1.00 12.41 H new ATOM 0 HG2 GLU B 112 -0.058 -7.602 9.276 1.00 5.13 H new ATOM 0 HG3 GLU B 112 0.355 -7.767 7.581 1.00 5.13 H new ATOM 973 N ASN B 113 3.735 -8.865 7.117 1.00 32.40 N ATOM 974 CA ASN B 113 4.649 -7.944 6.399 1.00 51.02 C ATOM 975 C ASN B 113 4.988 -8.491 4.995 1.00 52.13 C ATOM 976 O ASN B 113 5.102 -7.738 4.023 1.00 21.51 O ATOM 977 CB ASN B 113 5.948 -7.770 7.230 1.00 5.51 C ATOM 978 CG ASN B 113 6.917 -6.733 6.661 1.00 54.13 C ATOM 979 OD1 ASN B 113 7.698 -7.028 5.759 1.00 2.24 O ATOM 980 ND2 ASN B 113 6.899 -5.517 7.193 1.00 22.43 N ATOM 0 H ASN B 113 4.138 -9.230 7.980 1.00 32.40 H new ATOM 0 HA ASN B 113 4.157 -6.979 6.275 1.00 51.02 H new ATOM 0 HB2 ASN B 113 5.681 -7.483 8.247 1.00 5.51 H new ATOM 0 HB3 ASN B 113 6.458 -8.731 7.294 1.00 5.51 H new ATOM 0 HD21 ASN B 113 7.543 -4.802 6.854 1.00 22.43 H new ATOM 0 HD22 ASN B 113 6.241 -5.297 7.941 1.00 22.43 H new ATOM 987 N GLU B 114 5.103 -9.826 4.927 1.00 35.11 N ATOM 988 CA GLU B 114 5.366 -10.583 3.696 1.00 43.03 C ATOM 989 C GLU B 114 4.195 -10.430 2.727 1.00 54.12 C ATOM 990 O GLU B 114 4.388 -10.070 1.546 1.00 52.20 O ATOM 991 CB GLU B 114 5.633 -12.078 4.055 1.00 51.53 C ATOM 992 CG GLU B 114 5.264 -13.085 2.952 1.00 3.24 C ATOM 993 CD GLU B 114 5.913 -14.465 3.132 1.00 24.22 C ATOM 994 OE1 GLU B 114 7.148 -14.574 2.975 1.00 44.23 O ATOM 995 OE2 GLU B 114 5.199 -15.448 3.425 1.00 54.05 O ATOM 0 H GLU B 114 5.013 -10.424 5.749 1.00 35.11 H new ATOM 0 HA GLU B 114 6.253 -10.191 3.199 1.00 43.03 H new ATOM 0 HB2 GLU B 114 6.690 -12.196 4.295 1.00 51.53 H new ATOM 0 HB3 GLU B 114 5.072 -12.326 4.956 1.00 51.53 H new ATOM 0 HG2 GLU B 114 4.181 -13.203 2.928 1.00 3.24 H new ATOM 0 HG3 GLU B 114 5.561 -12.677 1.986 1.00 3.24 H new ATOM 1002 N LYS B 115 2.979 -10.681 3.255 1.00 21.52 N ATOM 1003 CA LYS B 115 1.732 -10.478 2.515 1.00 61.03 C ATOM 1004 C LYS B 115 1.661 -9.035 1.989 1.00 73.32 C ATOM 1005 O LYS B 115 1.306 -8.807 0.835 1.00 73.23 O ATOM 1006 CB LYS B 115 0.494 -10.741 3.414 1.00 63.20 C ATOM 1007 CG LYS B 115 -0.869 -10.600 2.676 1.00 75.41 C ATOM 1008 CD LYS B 115 -2.057 -10.244 3.608 1.00 63.34 C ATOM 1009 CE LYS B 115 -2.061 -8.755 4.014 1.00 71.22 C ATOM 1010 NZ LYS B 115 -3.178 -8.442 4.957 1.00 41.44 N ATOM 0 H LYS B 115 2.842 -11.029 4.204 1.00 21.52 H new ATOM 0 HA LYS B 115 1.723 -11.184 1.684 1.00 61.03 H new ATOM 0 HB2 LYS B 115 0.567 -11.746 3.830 1.00 63.20 H new ATOM 0 HB3 LYS B 115 0.514 -10.046 4.254 1.00 63.20 H new ATOM 0 HG2 LYS B 115 -0.778 -9.830 1.910 1.00 75.41 H new ATOM 0 HG3 LYS B 115 -1.091 -11.535 2.162 1.00 75.41 H new ATOM 0 HD2 LYS B 115 -2.994 -10.483 3.105 1.00 63.34 H new ATOM 0 HD3 LYS B 115 -2.010 -10.862 4.505 1.00 63.34 H new ATOM 0 HE2 LYS B 115 -1.109 -8.503 4.481 1.00 71.22 H new ATOM 0 HE3 LYS B 115 -2.153 -8.135 3.122 1.00 71.22 H new ATOM 0 HZ1 LYS B 115 -3.388 -7.424 4.920 1.00 41.44 H new ATOM 0 HZ2 LYS B 115 -4.025 -8.981 4.683 1.00 41.44 H new ATOM 0 HZ3 LYS B 115 -2.899 -8.703 5.924 1.00 41.44 H new ATOM 1024 N LEU B 116 2.079 -8.085 2.854 1.00 23.44 N ATOM 1025 CA LEU B 116 2.014 -6.646 2.576 1.00 54.30 C ATOM 1026 C LEU B 116 2.950 -6.237 1.420 1.00 41.32 C ATOM 1027 O LEU B 116 2.614 -5.329 0.657 1.00 34.25 O ATOM 1028 CB LEU B 116 2.292 -5.814 3.854 1.00 0.40 C ATOM 1029 CG LEU B 116 1.214 -5.910 4.984 1.00 23.31 C ATOM 1030 CD1 LEU B 116 1.645 -5.125 6.239 1.00 54.15 C ATOM 1031 CD2 LEU B 116 -0.168 -5.444 4.488 1.00 31.13 C ATOM 0 H LEU B 116 2.473 -8.304 3.769 1.00 23.44 H new ATOM 0 HA LEU B 116 0.997 -6.427 2.252 1.00 54.30 H new ATOM 0 HB2 LEU B 116 3.251 -6.128 4.266 1.00 0.40 H new ATOM 0 HB3 LEU B 116 2.396 -4.768 3.567 1.00 0.40 H new ATOM 0 HG LEU B 116 1.128 -6.961 5.261 1.00 23.31 H new ATOM 0 HD11 LEU B 116 0.874 -5.212 7.005 1.00 54.15 H new ATOM 0 HD12 LEU B 116 2.582 -5.532 6.619 1.00 54.15 H new ATOM 0 HD13 LEU B 116 1.784 -4.075 5.982 1.00 54.15 H new ATOM 0 HD21 LEU B 116 -0.892 -5.524 5.299 1.00 31.13 H new ATOM 0 HD22 LEU B 116 -0.106 -4.407 4.159 1.00 31.13 H new ATOM 0 HD23 LEU B 116 -0.486 -6.071 3.655 1.00 31.13 H new ATOM 1043 N LYS B 117 4.093 -6.935 1.277 1.00 53.44 N ATOM 1044 CA LYS B 117 5.020 -6.721 0.141 1.00 61.10 C ATOM 1045 C LYS B 117 4.348 -7.145 -1.178 1.00 64.31 C ATOM 1046 O LYS B 117 4.392 -6.420 -2.187 1.00 32.42 O ATOM 1047 CB LYS B 117 6.327 -7.528 0.318 1.00 42.21 C ATOM 1048 CG LYS B 117 7.171 -7.172 1.563 1.00 44.34 C ATOM 1049 CD LYS B 117 8.476 -8.000 1.617 1.00 3.21 C ATOM 1050 CE LYS B 117 8.212 -9.517 1.607 1.00 53.42 C ATOM 1051 NZ LYS B 117 9.465 -10.305 1.479 1.00 61.35 N ATOM 0 H LYS B 117 4.400 -7.653 1.933 1.00 53.44 H new ATOM 0 HA LYS B 117 5.264 -5.659 0.113 1.00 61.10 H new ATOM 0 HB2 LYS B 117 6.075 -8.587 0.364 1.00 42.21 H new ATOM 0 HB3 LYS B 117 6.944 -7.385 -0.569 1.00 42.21 H new ATOM 0 HG2 LYS B 117 7.413 -6.109 1.548 1.00 44.34 H new ATOM 0 HG3 LYS B 117 6.586 -7.353 2.465 1.00 44.34 H new ATOM 0 HD2 LYS B 117 9.104 -7.738 0.766 1.00 3.21 H new ATOM 0 HD3 LYS B 117 9.032 -7.737 2.517 1.00 3.21 H new ATOM 0 HE2 LYS B 117 7.699 -9.801 2.526 1.00 53.42 H new ATOM 0 HE3 LYS B 117 7.545 -9.762 0.781 1.00 53.42 H new ATOM 0 HZ1 LYS B 117 9.238 -11.320 1.477 1.00 61.35 H new ATOM 0 HZ2 LYS B 117 9.943 -10.055 0.590 1.00 61.35 H new ATOM 0 HZ3 LYS B 117 10.092 -10.092 2.281 1.00 61.35 H new ATOM 1065 N ALA B 118 3.701 -8.319 -1.140 1.00 10.42 N ATOM 1066 CA ALA B 118 3.081 -8.924 -2.328 1.00 1.25 C ATOM 1067 C ALA B 118 1.873 -8.099 -2.803 1.00 40.25 C ATOM 1068 O ALA B 118 1.769 -7.762 -3.993 1.00 22.33 O ATOM 1069 CB ALA B 118 2.670 -10.366 -2.014 1.00 42.54 C ATOM 0 H ALA B 118 3.593 -8.873 -0.290 1.00 10.42 H new ATOM 0 HA ALA B 118 3.809 -8.932 -3.139 1.00 1.25 H new ATOM 0 HB1 ALA B 118 2.211 -10.813 -2.895 1.00 42.54 H new ATOM 0 HB2 ALA B 118 3.551 -10.942 -1.732 1.00 42.54 H new ATOM 0 HB3 ALA B 118 1.955 -10.370 -1.191 1.00 42.54 H new ATOM 1075 N GLN B 119 0.986 -7.760 -1.854 1.00 4.11 N ATOM 1076 CA GLN B 119 -0.273 -7.060 -2.136 1.00 22.14 C ATOM 1077 C GLN B 119 -0.014 -5.636 -2.631 1.00 62.31 C ATOM 1078 O GLN B 119 -0.747 -5.149 -3.486 1.00 62.32 O ATOM 1079 CB GLN B 119 -1.195 -7.067 -0.874 1.00 10.22 C ATOM 1080 CG GLN B 119 -0.630 -6.316 0.355 1.00 41.01 C ATOM 1081 CD GLN B 119 -0.924 -4.815 0.410 1.00 73.13 C ATOM 1082 OE1 GLN B 119 -1.971 -4.341 -0.033 1.00 42.43 O ATOM 1083 NE2 GLN B 119 0.030 -4.051 0.920 1.00 32.21 N ATOM 0 H GLN B 119 1.125 -7.966 -0.865 1.00 4.11 H new ATOM 0 HA GLN B 119 -0.790 -7.591 -2.935 1.00 22.14 H new ATOM 0 HB2 GLN B 119 -2.154 -6.624 -1.142 1.00 10.22 H new ATOM 0 HB3 GLN B 119 -1.389 -8.101 -0.591 1.00 10.22 H new ATOM 0 HG2 GLN B 119 -1.031 -6.779 1.256 1.00 41.01 H new ATOM 0 HG3 GLN B 119 0.451 -6.457 0.378 1.00 41.01 H new ATOM 0 HE21 GLN B 119 0.886 -4.475 1.279 1.00 32.21 H new ATOM 0 HE22 GLN B 119 -0.091 -3.039 0.954 1.00 32.21 H new ATOM 1092 N LEU B 120 1.023 -4.961 -2.066 1.00 50.42 N ATOM 1093 CA LEU B 120 1.375 -3.596 -2.489 1.00 13.21 C ATOM 1094 C LEU B 120 1.845 -3.622 -3.935 1.00 55.31 C ATOM 1095 O LEU B 120 1.453 -2.763 -4.716 1.00 14.04 O ATOM 1096 CB LEU B 120 2.428 -2.931 -1.541 1.00 4.44 C ATOM 1097 CG LEU B 120 3.976 -3.201 -1.760 1.00 63.14 C ATOM 1098 CD1 LEU B 120 4.621 -2.231 -2.786 1.00 13.44 C ATOM 1099 CD2 LEU B 120 4.763 -3.137 -0.440 1.00 63.40 C ATOM 0 H LEU B 120 1.616 -5.341 -1.328 1.00 50.42 H new ATOM 0 HA LEU B 120 0.484 -2.972 -2.420 1.00 13.21 H new ATOM 0 HB2 LEU B 120 2.276 -1.853 -1.594 1.00 4.44 H new ATOM 0 HB3 LEU B 120 2.187 -3.237 -0.523 1.00 4.44 H new ATOM 0 HG LEU B 120 4.035 -4.211 -2.165 1.00 63.14 H new ATOM 0 HD11 LEU B 120 5.680 -2.466 -2.893 1.00 13.44 H new ATOM 0 HD12 LEU B 120 4.126 -2.340 -3.751 1.00 13.44 H new ATOM 0 HD13 LEU B 120 4.510 -1.205 -2.436 1.00 13.44 H new ATOM 0 HD21 LEU B 120 5.818 -3.328 -0.636 1.00 63.40 H new ATOM 0 HD22 LEU B 120 4.649 -2.148 0.004 1.00 63.40 H new ATOM 0 HD23 LEU B 120 4.380 -3.890 0.249 1.00 63.40 H new ATOM 1111 N HIS B 121 2.667 -4.646 -4.282 1.00 50.30 N ATOM 1112 CA HIS B 121 3.184 -4.812 -5.644 1.00 63.21 C ATOM 1113 C HIS B 121 2.021 -4.983 -6.628 1.00 20.54 C ATOM 1114 O HIS B 121 2.010 -4.361 -7.683 1.00 61.52 O ATOM 1115 CB HIS B 121 4.168 -6.005 -5.746 1.00 14.23 C ATOM 1116 CG HIS B 121 4.838 -6.100 -7.105 1.00 2.33 C ATOM 1117 ND1 HIS B 121 4.637 -7.142 -7.987 1.00 2.44 N ATOM 1118 CD2 HIS B 121 5.701 -5.259 -7.730 1.00 63.20 C ATOM 1119 CE1 HIS B 121 5.337 -6.937 -9.081 1.00 72.51 C ATOM 1120 NE2 HIS B 121 5.998 -5.807 -8.950 1.00 42.23 N ATOM 0 H HIS B 121 2.980 -5.364 -3.628 1.00 50.30 H new ATOM 0 HA HIS B 121 3.742 -3.912 -5.903 1.00 63.21 H new ATOM 0 HB2 HIS B 121 4.932 -5.907 -4.975 1.00 14.23 H new ATOM 0 HB3 HIS B 121 3.630 -6.932 -5.545 1.00 14.23 H new ATOM 0 HD2 HIS B 121 6.083 -4.328 -7.337 1.00 63.20 H new ATOM 0 HE1 HIS B 121 5.365 -7.587 -9.943 1.00 72.51 H new ATOM 0 HE2 HIS B 121 6.629 -5.405 -9.643 1.00 42.23 H new ATOM 1129 N ASP B 122 1.026 -5.787 -6.218 1.00 64.23 N ATOM 1130 CA ASP B 122 -0.192 -6.056 -7.001 1.00 20.30 C ATOM 1131 C ASP B 122 -0.995 -4.756 -7.249 1.00 61.22 C ATOM 1132 O ASP B 122 -1.375 -4.456 -8.390 1.00 72.11 O ATOM 1133 CB ASP B 122 -1.063 -7.105 -6.262 1.00 44.21 C ATOM 1134 CG ASP B 122 -2.353 -7.451 -7.021 1.00 51.41 C ATOM 1135 OD1 ASP B 122 -3.406 -6.858 -6.723 1.00 41.23 O ATOM 1136 OD2 ASP B 122 -2.318 -8.314 -7.924 1.00 54.12 O ATOM 0 H ASP B 122 1.045 -6.275 -5.322 1.00 64.23 H new ATOM 0 HA ASP B 122 0.099 -6.453 -7.974 1.00 20.30 H new ATOM 0 HB2 ASP B 122 -0.480 -8.014 -6.113 1.00 44.21 H new ATOM 0 HB3 ASP B 122 -1.320 -6.725 -5.273 1.00 44.21 H new ATOM 1141 N THR B 123 -1.218 -3.987 -6.168 1.00 33.20 N ATOM 1142 CA THR B 123 -1.946 -2.703 -6.211 1.00 1.15 C ATOM 1143 C THR B 123 -1.179 -1.667 -7.073 1.00 50.53 C ATOM 1144 O THR B 123 -1.786 -0.820 -7.750 1.00 2.42 O ATOM 1145 CB THR B 123 -2.156 -2.142 -4.761 1.00 51.01 C ATOM 1146 OG1 THR B 123 -2.682 -3.163 -3.899 1.00 23.13 O ATOM 1147 CG2 THR B 123 -3.110 -0.937 -4.736 1.00 34.01 C ATOM 0 H THR B 123 -0.897 -4.239 -5.233 1.00 33.20 H new ATOM 0 HA THR B 123 -2.921 -2.881 -6.665 1.00 1.15 H new ATOM 0 HB THR B 123 -1.178 -1.816 -4.408 1.00 51.01 H new ATOM 0 HG1 THR B 123 -1.974 -3.805 -3.682 1.00 23.13 H new ATOM 0 HG21 THR B 123 -3.224 -0.584 -3.711 1.00 34.01 H new ATOM 0 HG22 THR B 123 -2.701 -0.136 -5.352 1.00 34.01 H new ATOM 0 HG23 THR B 123 -4.083 -1.235 -5.127 1.00 34.01 H new ATOM 1155 N ASN B 124 0.167 -1.777 -7.059 1.00 4.43 N ATOM 1156 CA ASN B 124 1.053 -0.913 -7.850 1.00 25.04 C ATOM 1157 C ASN B 124 0.964 -1.285 -9.338 1.00 3.02 C ATOM 1158 O ASN B 124 1.032 -0.405 -10.182 1.00 51.44 O ATOM 1159 CB ASN B 124 2.531 -0.991 -7.353 1.00 45.24 C ATOM 1160 CG ASN B 124 2.832 -0.204 -6.055 1.00 21.33 C ATOM 1161 OD1 ASN B 124 1.901 -0.147 -5.109 1.00 32.54 O flip ATOM 1162 ND2 ASN B 124 3.925 0.341 -5.890 1.00 15.42 N flip ATOM 0 H ASN B 124 0.664 -2.469 -6.498 1.00 4.43 H new ATOM 0 HA ASN B 124 0.719 0.116 -7.719 1.00 25.04 H new ATOM 0 HB2 ASN B 124 2.789 -2.038 -7.192 1.00 45.24 H new ATOM 0 HB3 ASN B 124 3.183 -0.620 -8.143 1.00 45.24 H new ATOM 0 HD21 ASN B 124 4.635 0.293 -6.621 1.00 15.42 H new ATOM 0 HD22 ASN B 124 4.120 0.840 -5.022 1.00 15.42 H new ATOM 1169 N MET B 125 0.797 -2.594 -9.647 1.00 14.12 N ATOM 1170 CA MET B 125 0.632 -3.083 -11.031 1.00 21.53 C ATOM 1171 C MET B 125 -0.646 -2.556 -11.682 1.00 61.02 C ATOM 1172 O MET B 125 -0.644 -2.234 -12.877 1.00 44.24 O ATOM 1173 CB MET B 125 0.617 -4.626 -11.057 1.00 3.45 C ATOM 1174 CG MET B 125 1.943 -5.258 -10.652 1.00 10.22 C ATOM 1175 SD MET B 125 3.312 -4.798 -11.734 1.00 20.00 S ATOM 1176 CE MET B 125 2.717 -5.288 -13.359 1.00 15.20 C ATOM 0 H MET B 125 0.773 -3.334 -8.946 1.00 14.12 H new ATOM 0 HA MET B 125 1.481 -2.708 -11.602 1.00 21.53 H new ATOM 0 HB2 MET B 125 -0.166 -4.984 -10.388 1.00 3.45 H new ATOM 0 HB3 MET B 125 0.356 -4.961 -12.061 1.00 3.45 H new ATOM 0 HG2 MET B 125 2.181 -4.963 -9.630 1.00 10.22 H new ATOM 0 HG3 MET B 125 1.836 -6.343 -10.654 1.00 10.22 H new ATOM 0 HE1 MET B 125 3.552 -5.649 -13.959 1.00 15.20 H new ATOM 0 HE2 MET B 125 1.977 -6.082 -13.252 1.00 15.20 H new ATOM 0 HE3 MET B 125 2.260 -4.431 -13.853 1.00 15.20 H new ATOM 1186 N GLU B 126 -1.737 -2.491 -10.891 1.00 53.11 N ATOM 1187 CA GLU B 126 -3.013 -1.938 -11.368 1.00 34.14 C ATOM 1188 C GLU B 126 -2.843 -0.436 -11.652 1.00 65.44 C ATOM 1189 O GLU B 126 -3.211 0.039 -12.716 1.00 14.10 O ATOM 1190 CB GLU B 126 -4.155 -2.160 -10.350 1.00 42.33 C ATOM 1191 CG GLU B 126 -4.287 -3.596 -9.806 1.00 4.23 C ATOM 1192 CD GLU B 126 -5.640 -3.864 -9.122 1.00 11.24 C ATOM 1193 OE1 GLU B 126 -6.571 -4.347 -9.805 1.00 30.51 O ATOM 1194 OE2 GLU B 126 -5.787 -3.572 -7.919 1.00 61.42 O ATOM 0 H GLU B 126 -1.756 -2.814 -9.924 1.00 53.11 H new ATOM 0 HA GLU B 126 -3.288 -2.462 -12.283 1.00 34.14 H new ATOM 0 HB2 GLU B 126 -4.005 -1.483 -9.509 1.00 42.33 H new ATOM 0 HB3 GLU B 126 -5.098 -1.880 -10.820 1.00 42.33 H new ATOM 0 HG2 GLU B 126 -4.156 -4.302 -10.626 1.00 4.23 H new ATOM 0 HG3 GLU B 126 -3.484 -3.783 -9.093 1.00 4.23 H new ATOM 1201 N LEU B 127 -2.205 0.273 -10.697 1.00 75.55 N ATOM 1202 CA LEU B 127 -1.926 1.724 -10.793 1.00 41.33 C ATOM 1203 C LEU B 127 -1.027 2.045 -12.022 1.00 30.35 C ATOM 1204 O LEU B 127 -1.226 3.060 -12.709 1.00 33.00 O ATOM 1205 CB LEU B 127 -1.251 2.214 -9.479 1.00 71.01 C ATOM 1206 CG LEU B 127 -1.033 3.756 -9.359 1.00 72.51 C ATOM 1207 CD1 LEU B 127 -2.374 4.509 -9.355 1.00 64.11 C ATOM 1208 CD2 LEU B 127 -0.199 4.113 -8.116 1.00 40.30 C ATOM 0 H LEU B 127 -1.866 -0.147 -9.831 1.00 75.55 H new ATOM 0 HA LEU B 127 -2.870 2.251 -10.930 1.00 41.33 H new ATOM 0 HB2 LEU B 127 -1.859 1.886 -8.636 1.00 71.01 H new ATOM 0 HB3 LEU B 127 -0.283 1.721 -9.385 1.00 71.01 H new ATOM 0 HG LEU B 127 -0.471 4.074 -10.237 1.00 72.51 H new ATOM 0 HD11 LEU B 127 -2.190 5.580 -9.270 1.00 64.11 H new ATOM 0 HD12 LEU B 127 -2.909 4.305 -10.283 1.00 64.11 H new ATOM 0 HD13 LEU B 127 -2.975 4.176 -8.509 1.00 64.11 H new ATOM 0 HD21 LEU B 127 -0.067 5.194 -8.064 1.00 40.30 H new ATOM 0 HD22 LEU B 127 -0.715 3.767 -7.220 1.00 40.30 H new ATOM 0 HD23 LEU B 127 0.777 3.631 -8.182 1.00 40.30 H new ATOM 1220 N THR B 128 -0.064 1.136 -12.292 1.00 34.43 N ATOM 1221 CA THR B 128 0.855 1.210 -13.448 1.00 22.20 C ATOM 1222 C THR B 128 0.071 1.015 -14.762 1.00 44.32 C ATOM 1223 O THR B 128 0.298 1.718 -15.754 1.00 22.13 O ATOM 1224 CB THR B 128 1.991 0.123 -13.326 1.00 12.15 C ATOM 1225 OG1 THR B 128 2.856 0.451 -12.226 1.00 13.42 O ATOM 1226 CG2 THR B 128 2.835 -0.045 -14.617 1.00 24.32 C ATOM 0 H THR B 128 0.098 0.319 -11.704 1.00 34.43 H new ATOM 0 HA THR B 128 1.321 2.195 -13.456 1.00 22.20 H new ATOM 0 HB THR B 128 1.490 -0.830 -13.156 1.00 12.15 H new ATOM 0 HG1 THR B 128 2.416 0.216 -11.382 1.00 13.42 H new ATOM 0 HG21 THR B 128 3.596 -0.809 -14.457 1.00 24.32 H new ATOM 0 HG22 THR B 128 2.186 -0.345 -15.440 1.00 24.32 H new ATOM 0 HG23 THR B 128 3.317 0.901 -14.862 1.00 24.32 H new ATOM 1234 N ASP B 129 -0.869 0.065 -14.730 1.00 5.35 N ATOM 1235 CA ASP B 129 -1.735 -0.259 -15.870 1.00 41.20 C ATOM 1236 C ASP B 129 -2.682 0.910 -16.181 1.00 74.42 C ATOM 1237 O ASP B 129 -2.981 1.168 -17.335 1.00 30.51 O ATOM 1238 CB ASP B 129 -2.525 -1.563 -15.568 1.00 31.12 C ATOM 1239 CG ASP B 129 -3.410 -2.035 -16.737 1.00 51.11 C ATOM 1240 OD1 ASP B 129 -4.658 -1.922 -16.666 1.00 52.21 O ATOM 1241 OD2 ASP B 129 -2.858 -2.557 -17.730 1.00 33.34 O ATOM 0 H ASP B 129 -1.052 -0.506 -13.905 1.00 5.35 H new ATOM 0 HA ASP B 129 -1.120 -0.423 -16.755 1.00 41.20 H new ATOM 0 HB2 ASP B 129 -1.820 -2.355 -15.315 1.00 31.12 H new ATOM 0 HB3 ASP B 129 -3.152 -1.403 -14.691 1.00 31.12 H new ATOM 1246 N LEU B 130 -3.090 1.645 -15.130 1.00 72.23 N ATOM 1247 CA LEU B 130 -4.033 2.772 -15.244 1.00 33.33 C ATOM 1248 C LEU B 130 -3.387 3.993 -15.918 1.00 42.51 C ATOM 1249 O LEU B 130 -3.988 4.581 -16.821 1.00 15.50 O ATOM 1250 CB LEU B 130 -4.592 3.144 -13.843 1.00 1.11 C ATOM 1251 CG LEU B 130 -5.499 2.060 -13.183 1.00 34.04 C ATOM 1252 CD1 LEU B 130 -5.909 2.450 -11.752 1.00 61.21 C ATOM 1253 CD2 LEU B 130 -6.725 1.754 -14.069 1.00 33.25 C ATOM 0 H LEU B 130 -2.774 1.473 -14.176 1.00 72.23 H new ATOM 0 HA LEU B 130 -4.858 2.455 -15.881 1.00 33.33 H new ATOM 0 HB2 LEU B 130 -3.754 3.348 -13.177 1.00 1.11 H new ATOM 0 HB3 LEU B 130 -5.163 4.069 -13.930 1.00 1.11 H new ATOM 0 HG LEU B 130 -4.914 1.144 -13.101 1.00 34.04 H new ATOM 0 HD11 LEU B 130 -6.540 1.668 -11.328 1.00 61.21 H new ATOM 0 HD12 LEU B 130 -5.017 2.569 -11.137 1.00 61.21 H new ATOM 0 HD13 LEU B 130 -6.461 3.389 -11.775 1.00 61.21 H new ATOM 0 HD21 LEU B 130 -7.342 0.995 -13.587 1.00 33.25 H new ATOM 0 HD22 LEU B 130 -7.310 2.663 -14.207 1.00 33.25 H new ATOM 0 HD23 LEU B 130 -6.390 1.387 -15.039 1.00 33.25 H new ATOM 1265 N LYS B 131 -2.158 4.367 -15.487 1.00 1.15 N ATOM 1266 CA LYS B 131 -1.433 5.522 -16.078 1.00 52.40 C ATOM 1267 C LYS B 131 -1.001 5.198 -17.528 1.00 32.53 C ATOM 1268 O LYS B 131 -0.991 6.076 -18.400 1.00 63.32 O ATOM 1269 CB LYS B 131 -0.239 5.987 -15.171 1.00 12.02 C ATOM 1270 CG LYS B 131 0.834 4.923 -14.798 1.00 71.42 C ATOM 1271 CD LYS B 131 1.911 4.689 -15.889 1.00 53.43 C ATOM 1272 CE LYS B 131 2.981 3.675 -15.447 1.00 15.14 C ATOM 1273 NZ LYS B 131 3.934 3.326 -16.539 1.00 51.42 N ATOM 0 H LYS B 131 -1.651 3.892 -14.740 1.00 1.15 H new ATOM 0 HA LYS B 131 -2.113 6.373 -16.125 1.00 52.40 H new ATOM 0 HB2 LYS B 131 0.265 6.812 -15.675 1.00 12.02 H new ATOM 0 HB3 LYS B 131 -0.654 6.385 -14.245 1.00 12.02 H new ATOM 0 HG2 LYS B 131 1.329 5.231 -13.877 1.00 71.42 H new ATOM 0 HG3 LYS B 131 0.333 3.977 -14.590 1.00 71.42 H new ATOM 0 HD2 LYS B 131 1.430 4.332 -16.800 1.00 53.43 H new ATOM 0 HD3 LYS B 131 2.391 5.637 -16.132 1.00 53.43 H new ATOM 0 HE2 LYS B 131 3.537 4.085 -14.604 1.00 15.14 H new ATOM 0 HE3 LYS B 131 2.491 2.767 -15.095 1.00 15.14 H new ATOM 0 HZ1 LYS B 131 4.631 2.641 -16.185 1.00 51.42 H new ATOM 0 HZ2 LYS B 131 3.412 2.909 -17.335 1.00 51.42 H new ATOM 0 HZ3 LYS B 131 4.425 4.185 -16.859 1.00 51.42 H new ATOM 1287 N LEU B 132 -0.701 3.913 -17.782 1.00 74.23 N ATOM 1288 CA LEU B 132 -0.352 3.433 -19.123 1.00 51.41 C ATOM 1289 C LEU B 132 -1.588 3.466 -20.050 1.00 21.11 C ATOM 1290 O LEU B 132 -1.502 3.893 -21.204 1.00 24.02 O ATOM 1291 CB LEU B 132 0.264 2.017 -19.046 1.00 54.41 C ATOM 1292 CG LEU B 132 0.681 1.383 -20.412 1.00 40.22 C ATOM 1293 CD1 LEU B 132 1.623 2.305 -21.219 1.00 1.42 C ATOM 1294 CD2 LEU B 132 1.314 -0.004 -20.210 1.00 13.41 C ATOM 0 H LEU B 132 -0.694 3.185 -17.067 1.00 74.23 H new ATOM 0 HA LEU B 132 0.398 4.098 -19.550 1.00 51.41 H new ATOM 0 HB2 LEU B 132 1.143 2.058 -18.402 1.00 54.41 H new ATOM 0 HB3 LEU B 132 -0.454 1.354 -18.563 1.00 54.41 H new ATOM 0 HG LEU B 132 -0.231 1.262 -20.996 1.00 40.22 H new ATOM 0 HD11 LEU B 132 1.886 1.822 -22.160 1.00 1.42 H new ATOM 0 HD12 LEU B 132 1.120 3.250 -21.424 1.00 1.42 H new ATOM 0 HD13 LEU B 132 2.529 2.494 -20.643 1.00 1.42 H new ATOM 0 HD21 LEU B 132 1.594 -0.421 -21.178 1.00 13.41 H new ATOM 0 HD22 LEU B 132 2.202 0.089 -19.584 1.00 13.41 H new ATOM 0 HD23 LEU B 132 0.596 -0.665 -19.725 1.00 13.41 H new ATOM 1306 N GLN B 133 -2.748 3.059 -19.512 1.00 53.03 N ATOM 1307 CA GLN B 133 -4.034 3.140 -20.234 1.00 1.20 C ATOM 1308 C GLN B 133 -4.479 4.603 -20.402 1.00 3.24 C ATOM 1309 O GLN B 133 -5.303 4.896 -21.260 1.00 71.20 O ATOM 1310 CB GLN B 133 -5.141 2.327 -19.504 1.00 45.34 C ATOM 1311 CG GLN B 133 -5.035 0.794 -19.641 1.00 2.12 C ATOM 1312 CD GLN B 133 -6.169 0.043 -18.922 1.00 12.32 C ATOM 1313 OE1 GLN B 133 -6.604 0.545 -17.767 1.00 64.41 O flip ATOM 1314 NE2 GLN B 133 -6.627 -1.008 -19.380 1.00 63.52 N flip ATOM 0 H GLN B 133 -2.825 2.667 -18.573 1.00 53.03 H new ATOM 0 HA GLN B 133 -3.882 2.705 -21.222 1.00 1.20 H new ATOM 0 HB2 GLN B 133 -5.117 2.583 -18.445 1.00 45.34 H new ATOM 0 HB3 GLN B 133 -6.112 2.643 -19.886 1.00 45.34 H new ATOM 0 HG2 GLN B 133 -5.045 0.528 -20.698 1.00 2.12 H new ATOM 0 HG3 GLN B 133 -4.077 0.465 -19.238 1.00 2.12 H new ATOM 0 HE21 GLN B 133 -6.278 -1.373 -20.266 1.00 63.52 H new ATOM 0 HE22 GLN B 133 -7.354 -1.511 -18.872 1.00 63.52 H new ATOM 1323 N LEU B 134 -3.944 5.501 -19.557 1.00 62.02 N ATOM 1324 CA LEU B 134 -4.284 6.936 -19.572 1.00 32.33 C ATOM 1325 C LEU B 134 -3.610 7.635 -20.763 1.00 3.02 C ATOM 1326 O LEU B 134 -4.201 8.522 -21.404 1.00 32.31 O ATOM 1327 CB LEU B 134 -3.867 7.575 -18.218 1.00 23.25 C ATOM 1328 CG LEU B 134 -4.460 8.976 -17.895 1.00 63.14 C ATOM 1329 CD1 LEU B 134 -5.997 8.962 -17.963 1.00 74.11 C ATOM 1330 CD2 LEU B 134 -3.978 9.467 -16.519 1.00 60.15 C ATOM 0 H LEU B 134 -3.261 5.252 -18.841 1.00 62.02 H new ATOM 0 HA LEU B 134 -5.360 7.059 -19.694 1.00 32.33 H new ATOM 0 HB2 LEU B 134 -4.152 6.892 -17.417 1.00 23.25 H new ATOM 0 HB3 LEU B 134 -2.780 7.653 -18.199 1.00 23.25 H new ATOM 0 HG LEU B 134 -4.101 9.673 -18.653 1.00 63.14 H new ATOM 0 HD11 LEU B 134 -6.380 9.956 -17.732 1.00 74.11 H new ATOM 0 HD12 LEU B 134 -6.314 8.674 -18.965 1.00 74.11 H new ATOM 0 HD13 LEU B 134 -6.387 8.246 -17.240 1.00 74.11 H new ATOM 0 HD21 LEU B 134 -4.405 10.449 -16.313 1.00 60.15 H new ATOM 0 HD22 LEU B 134 -4.297 8.764 -15.750 1.00 60.15 H new ATOM 0 HD23 LEU B 134 -2.890 9.537 -16.518 1.00 60.15 H new