USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 TYR OH : rot 180:sc= -0.016 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 24 ASN : amide:sc= -0.26 K(o=-1.5,f=-4.6!) USER MOD Set 2.2: A 107 MET CE :methyl -153:sc= -1.2 (180deg=-3.36!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc=-0.00271 X(o=-0.0027,f=-0.0027) USER MOD Single : A 33 TYR OH : rot 19:sc= 0.287 USER MOD Single : A 39 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.46) USER MOD Single : A 40 SER OG : rot -2:sc= 0.695 USER MOD Single : A 41 CYS SG : rot 11:sc= 0.151 USER MOD Single : A 43 LYS NZ :NH3+ -142:sc= 1.07 (180deg=-0.16) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.206 USER MOD Single : A 68 THR OG1 : rot -170:sc= 0 USER MOD Single : A 72 THR OG1 : rot 86:sc= 1.34 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 84 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00808) USER MOD Single : A 101 LYS NZ :NH3+ -131:sc= -0.0228 (180deg=-2.82!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0533 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : A 108 THR OG1 : rot 74:sc= 0.452 USER MOD Single : A 109 ASN : amide:sc= 0.923 K(o=0.92,f=-3.6!) USER MOD Single : A 114 TYR OH : rot 111:sc= 0.322 USER MOD Single : A 117 SER OG : rot 87:sc= 0.0251 USER MOD Single : A 118 GLN : amide:sc= -0.64 K(o=-0.64,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -2.873 -8.801 -8.902 1.00 20.42 N ATOM 19 CA GLY A 2 -1.699 -8.745 -9.773 1.00 13.32 C ATOM 20 C GLY A 2 -1.596 -7.515 -10.665 1.00 51.11 C ATOM 21 O GLY A 2 -0.930 -7.565 -11.700 1.00 12.33 O ATOM 0 HA2 GLY A 2 -0.805 -8.796 -9.151 1.00 13.32 H new ATOM 0 HA3 GLY A 2 -1.697 -9.632 -10.407 1.00 13.32 H new ATOM 25 N ILE A 3 -2.201 -6.398 -10.263 1.00 75.20 N ATOM 26 CA ILE A 3 -2.164 -5.124 -10.981 1.00 3.25 C ATOM 27 C ILE A 3 -0.706 -4.630 -11.090 1.00 54.31 C ATOM 28 O ILE A 3 0.135 -4.918 -10.232 1.00 43.04 O ATOM 29 CB ILE A 3 -3.038 -4.093 -10.229 1.00 11.20 C ATOM 30 CG1 ILE A 3 -4.441 -4.606 -9.846 1.00 30.21 C ATOM 31 CG2 ILE A 3 -3.199 -2.771 -11.003 1.00 50.43 C ATOM 32 CD1 ILE A 3 -5.152 -3.631 -8.904 1.00 33.32 C ATOM 0 H ILE A 3 -2.747 -6.353 -9.403 1.00 75.20 H new ATOM 0 HA ILE A 3 -2.558 -5.253 -11.989 1.00 3.25 H new ATOM 0 HB ILE A 3 -2.480 -3.918 -9.309 1.00 11.20 H new ATOM 0 HG12 ILE A 3 -5.038 -4.745 -10.747 1.00 30.21 H new ATOM 0 HG13 ILE A 3 -4.356 -5.581 -9.367 1.00 30.21 H new ATOM 0 HG21 ILE A 3 -3.822 -2.086 -10.428 1.00 50.43 H new ATOM 0 HG22 ILE A 3 -2.219 -2.322 -11.164 1.00 50.43 H new ATOM 0 HG23 ILE A 3 -3.671 -2.968 -11.966 1.00 50.43 H new ATOM 0 HD11 ILE A 3 -6.138 -4.021 -8.653 1.00 33.32 H new ATOM 0 HD12 ILE A 3 -4.566 -3.513 -7.993 1.00 33.32 H new ATOM 0 HD13 ILE A 3 -5.259 -2.664 -9.395 1.00 33.32 H new ATOM 44 N THR A 4 -0.430 -3.818 -12.104 1.00 53.00 N ATOM 45 CA THR A 4 0.818 -3.092 -12.344 1.00 44.55 C ATOM 46 C THR A 4 1.052 -2.007 -11.270 1.00 3.22 C ATOM 47 O THR A 4 0.130 -1.650 -10.533 1.00 51.43 O ATOM 48 CB THR A 4 0.701 -2.467 -13.754 1.00 61.21 C ATOM 49 OG1 THR A 4 0.222 -3.440 -14.674 1.00 0.34 O ATOM 50 CG2 THR A 4 2.007 -1.902 -14.318 1.00 71.33 C ATOM 0 H THR A 4 -1.119 -3.635 -12.833 1.00 53.00 H new ATOM 0 HA THR A 4 1.674 -3.765 -12.286 1.00 44.55 H new ATOM 0 HB THR A 4 0.012 -1.631 -13.633 1.00 61.21 H new ATOM 0 HG1 THR A 4 0.148 -3.039 -15.565 1.00 0.34 H new ATOM 0 HG21 THR A 4 1.825 -1.486 -15.309 1.00 71.33 H new ATOM 0 HG22 THR A 4 2.379 -1.118 -13.658 1.00 71.33 H new ATOM 0 HG23 THR A 4 2.747 -2.699 -14.389 1.00 71.33 H new ATOM 58 N ILE A 5 2.269 -1.454 -11.184 1.00 22.41 N ATOM 59 CA ILE A 5 2.593 -0.195 -10.520 1.00 63.11 C ATOM 60 C ILE A 5 3.415 0.676 -11.465 1.00 31.42 C ATOM 61 O ILE A 5 4.162 0.157 -12.300 1.00 63.22 O ATOM 62 CB ILE A 5 3.404 -0.513 -9.245 1.00 41.12 C ATOM 63 CG1 ILE A 5 2.628 -1.417 -8.274 1.00 31.21 C ATOM 64 CG2 ILE A 5 3.968 0.718 -8.508 1.00 21.24 C ATOM 65 CD1 ILE A 5 1.504 -0.718 -7.500 1.00 1.12 C ATOM 0 H ILE A 5 3.090 -1.897 -11.597 1.00 22.41 H new ATOM 0 HA ILE A 5 1.683 0.342 -10.251 1.00 63.11 H new ATOM 0 HB ILE A 5 4.272 -1.057 -9.616 1.00 41.12 H new ATOM 0 HG12 ILE A 5 2.200 -2.247 -8.836 1.00 31.21 H new ATOM 0 HG13 ILE A 5 3.330 -1.845 -7.559 1.00 31.21 H new ATOM 0 HG21 ILE A 5 4.521 0.393 -7.627 1.00 21.24 H new ATOM 0 HG22 ILE A 5 4.635 1.266 -9.173 1.00 21.24 H new ATOM 0 HG23 ILE A 5 3.147 1.367 -8.202 1.00 21.24 H new ATOM 0 HD11 ILE A 5 1.015 -1.436 -6.841 1.00 1.12 H new ATOM 0 HD12 ILE A 5 1.922 0.094 -6.905 1.00 1.12 H new ATOM 0 HD13 ILE A 5 0.775 -0.315 -8.203 1.00 1.12 H new ATOM 77 N THR A 6 3.308 1.989 -11.272 1.00 71.02 N ATOM 78 CA THR A 6 4.193 2.997 -11.817 1.00 63.10 C ATOM 79 C THR A 6 4.734 3.868 -10.692 1.00 5.22 C ATOM 80 O THR A 6 4.007 4.224 -9.765 1.00 12.42 O ATOM 81 CB THR A 6 3.473 3.799 -12.915 1.00 52.35 C ATOM 82 OG1 THR A 6 2.088 3.948 -12.671 1.00 54.52 O ATOM 83 CG2 THR A 6 3.608 2.937 -14.173 1.00 15.03 C ATOM 0 H THR A 6 2.563 2.391 -10.703 1.00 71.02 H new ATOM 0 HA THR A 6 5.052 2.525 -12.294 1.00 63.10 H new ATOM 0 HB THR A 6 3.905 4.798 -12.981 1.00 52.35 H new ATOM 0 HG1 THR A 6 1.682 4.466 -13.397 1.00 54.52 H new ATOM 0 HG21 THR A 6 3.120 3.436 -15.010 1.00 15.03 H new ATOM 0 HG22 THR A 6 4.664 2.792 -14.403 1.00 15.03 H new ATOM 0 HG23 THR A 6 3.137 1.969 -14.003 1.00 15.03 H new ATOM 91 N ASP A 7 6.016 4.214 -10.785 1.00 43.41 N ATOM 92 CA ASP A 7 6.744 5.039 -9.827 1.00 30.24 C ATOM 93 C ASP A 7 6.107 6.426 -9.734 1.00 34.00 C ATOM 94 O ASP A 7 6.057 7.031 -8.663 1.00 64.21 O ATOM 95 CB ASP A 7 8.224 5.128 -10.240 1.00 54.52 C ATOM 96 CG ASP A 7 9.055 3.891 -9.865 1.00 73.52 C ATOM 97 OD1 ASP A 7 8.493 2.795 -9.645 1.00 0.12 O ATOM 98 OD2 ASP A 7 10.303 3.997 -9.850 1.00 14.20 O ATOM 0 H ASP A 7 6.600 3.913 -11.565 1.00 43.41 H new ATOM 0 HA ASP A 7 6.691 4.582 -8.839 1.00 30.24 H new ATOM 0 HB2 ASP A 7 8.281 5.278 -11.318 1.00 54.52 H new ATOM 0 HB3 ASP A 7 8.668 6.007 -9.772 1.00 54.52 H new ATOM 103 N GLU A 8 5.521 6.897 -10.833 1.00 23.43 N ATOM 104 CA GLU A 8 4.725 8.080 -10.950 1.00 2.14 C ATOM 105 C GLU A 8 3.497 8.018 -10.025 1.00 41.04 C ATOM 106 O GLU A 8 3.139 8.998 -9.369 1.00 13.32 O ATOM 107 CB GLU A 8 4.362 8.057 -12.437 1.00 52.41 C ATOM 108 CG GLU A 8 3.283 9.060 -12.730 1.00 22.42 C ATOM 109 CD GLU A 8 3.103 9.317 -14.220 1.00 44.42 C ATOM 110 OE1 GLU A 8 2.386 8.505 -14.853 1.00 44.24 O ATOM 111 OE2 GLU A 8 3.685 10.288 -14.752 1.00 75.23 O ATOM 0 H GLU A 8 5.608 6.410 -11.725 1.00 23.43 H new ATOM 0 HA GLU A 8 5.225 9.001 -10.649 1.00 2.14 H new ATOM 0 HB2 GLU A 8 5.245 8.278 -13.037 1.00 52.41 H new ATOM 0 HB3 GLU A 8 4.026 7.059 -12.720 1.00 52.41 H new ATOM 0 HG2 GLU A 8 2.341 8.706 -12.311 1.00 22.42 H new ATOM 0 HG3 GLU A 8 3.521 9.999 -12.230 1.00 22.42 H new ATOM 118 N LEU A 9 2.819 6.870 -9.980 1.00 25.04 N ATOM 119 CA LEU A 9 1.648 6.654 -9.135 1.00 15.13 C ATOM 120 C LEU A 9 2.048 6.509 -7.668 1.00 60.02 C ATOM 121 O LEU A 9 1.205 6.672 -6.787 1.00 45.44 O ATOM 122 CB LEU A 9 0.884 5.403 -9.611 1.00 31.23 C ATOM 123 CG LEU A 9 -0.580 5.717 -9.969 1.00 55.12 C ATOM 124 CD1 LEU A 9 -1.152 4.571 -10.807 1.00 2.44 C ATOM 125 CD2 LEU A 9 -1.444 5.912 -8.715 1.00 62.11 C ATOM 0 H LEU A 9 3.073 6.055 -10.538 1.00 25.04 H new ATOM 0 HA LEU A 9 0.997 7.524 -9.219 1.00 15.13 H new ATOM 0 HB2 LEU A 9 1.387 4.982 -10.482 1.00 31.23 H new ATOM 0 HB3 LEU A 9 0.910 4.644 -8.829 1.00 31.23 H new ATOM 0 HG LEU A 9 -0.596 6.648 -10.535 1.00 55.12 H new ATOM 0 HD11 LEU A 9 -2.189 4.789 -11.063 1.00 2.44 H new ATOM 0 HD12 LEU A 9 -0.568 4.462 -11.721 1.00 2.44 H new ATOM 0 HD13 LEU A 9 -1.107 3.644 -10.235 1.00 2.44 H new ATOM 0 HD21 LEU A 9 -2.470 6.132 -9.011 1.00 62.11 H new ATOM 0 HD22 LEU A 9 -1.426 5.002 -8.116 1.00 62.11 H new ATOM 0 HD23 LEU A 9 -1.050 6.741 -8.127 1.00 62.11 H new ATOM 137 N LEU A 10 3.315 6.191 -7.388 1.00 72.11 N ATOM 138 CA LEU A 10 3.843 6.153 -6.032 1.00 43.35 C ATOM 139 C LEU A 10 4.100 7.575 -5.539 1.00 51.34 C ATOM 140 O LEU A 10 3.788 7.893 -4.389 1.00 74.14 O ATOM 141 CB LEU A 10 5.098 5.275 -5.941 1.00 75.21 C ATOM 142 CG LEU A 10 4.839 3.809 -6.343 1.00 42.24 C ATOM 143 CD1 LEU A 10 6.162 3.055 -6.372 1.00 42.50 C ATOM 144 CD2 LEU A 10 3.910 3.070 -5.372 1.00 64.21 C ATOM 0 H LEU A 10 4.002 5.952 -8.103 1.00 72.11 H new ATOM 0 HA LEU A 10 3.101 5.695 -5.378 1.00 43.35 H new ATOM 0 HB2 LEU A 10 5.873 5.691 -6.585 1.00 75.21 H new ATOM 0 HB3 LEU A 10 5.482 5.304 -4.921 1.00 75.21 H new ATOM 0 HG LEU A 10 4.358 3.838 -7.320 1.00 42.24 H new ATOM 0 HD11 LEU A 10 5.984 2.018 -6.656 1.00 42.50 H new ATOM 0 HD12 LEU A 10 6.830 3.520 -7.097 1.00 42.50 H new ATOM 0 HD13 LEU A 10 6.621 3.087 -5.384 1.00 42.50 H new ATOM 0 HD21 LEU A 10 3.769 2.044 -5.713 1.00 64.21 H new ATOM 0 HD22 LEU A 10 4.354 3.064 -4.377 1.00 64.21 H new ATOM 0 HD23 LEU A 10 2.945 3.576 -5.335 1.00 64.21 H new ATOM 156 N TRP A 11 4.636 8.449 -6.395 1.00 1.05 N ATOM 157 CA TRP A 11 4.910 9.835 -6.035 1.00 63.52 C ATOM 158 C TRP A 11 3.653 10.624 -5.670 1.00 23.13 C ATOM 159 O TRP A 11 3.720 11.408 -4.725 1.00 43.40 O ATOM 160 CB TRP A 11 5.690 10.531 -7.152 1.00 3.04 C ATOM 161 CG TRP A 11 7.171 10.348 -7.049 1.00 0.23 C ATOM 162 CD1 TRP A 11 7.954 9.677 -7.920 1.00 62.34 C ATOM 163 CD2 TRP A 11 8.056 10.798 -5.979 1.00 53.20 C ATOM 164 NE1 TRP A 11 9.258 9.683 -7.467 1.00 4.03 N ATOM 165 CE2 TRP A 11 9.377 10.351 -6.267 1.00 2.44 C ATOM 166 CE3 TRP A 11 7.867 11.527 -4.785 1.00 14.34 C ATOM 167 CZ2 TRP A 11 10.452 10.592 -5.396 1.00 75.55 C ATOM 168 CZ3 TRP A 11 8.936 11.765 -3.900 1.00 25.41 C ATOM 169 CH2 TRP A 11 10.220 11.272 -4.191 1.00 72.03 C ATOM 0 H TRP A 11 4.890 8.213 -7.354 1.00 1.05 H new ATOM 0 HA TRP A 11 5.522 9.810 -5.133 1.00 63.52 H new ATOM 0 HB2 TRP A 11 5.351 10.148 -8.114 1.00 3.04 H new ATOM 0 HB3 TRP A 11 5.461 11.597 -7.134 1.00 3.04 H new ATOM 0 HD1 TRP A 11 7.613 9.208 -8.831 1.00 62.34 H new ATOM 0 HE1 TRP A 11 10.037 9.247 -7.960 1.00 4.03 H new ATOM 0 HE3 TRP A 11 6.885 11.909 -4.546 1.00 14.34 H new ATOM 0 HZ2 TRP A 11 11.447 10.257 -5.651 1.00 75.55 H new ATOM 0 HZ3 TRP A 11 8.769 12.329 -2.994 1.00 25.41 H new ATOM 0 HH2 TRP A 11 11.027 11.417 -3.488 1.00 72.03 H new ATOM 180 N ALA A 12 2.516 10.405 -6.340 1.00 51.32 N ATOM 181 CA ALA A 12 1.262 11.099 -6.022 1.00 44.14 C ATOM 182 C ALA A 12 0.901 10.973 -4.539 1.00 64.43 C ATOM 183 O ALA A 12 0.430 11.919 -3.910 1.00 13.50 O ATOM 184 CB ALA A 12 0.129 10.532 -6.880 1.00 22.02 C ATOM 0 H ALA A 12 2.439 9.745 -7.114 1.00 51.32 H new ATOM 0 HA ALA A 12 1.402 12.158 -6.240 1.00 44.14 H new ATOM 0 HB1 ALA A 12 -0.801 11.049 -6.642 1.00 22.02 H new ATOM 0 HB2 ALA A 12 0.364 10.675 -7.935 1.00 22.02 H new ATOM 0 HB3 ALA A 12 0.015 9.467 -6.675 1.00 22.02 H new ATOM 190 N ILE A 13 1.137 9.795 -3.968 1.00 72.44 N ATOM 191 CA ILE A 13 0.827 9.505 -2.581 1.00 30.25 C ATOM 192 C ILE A 13 1.699 10.380 -1.679 1.00 62.41 C ATOM 193 O ILE A 13 1.197 11.033 -0.771 1.00 23.54 O ATOM 194 CB ILE A 13 1.055 8.019 -2.319 1.00 44.23 C ATOM 195 CG1 ILE A 13 0.086 7.170 -3.163 1.00 51.25 C ATOM 196 CG2 ILE A 13 0.807 7.700 -0.849 1.00 55.25 C ATOM 197 CD1 ILE A 13 0.730 5.861 -3.556 1.00 13.12 C ATOM 0 H ILE A 13 1.554 9.009 -4.466 1.00 72.44 H new ATOM 0 HA ILE A 13 -0.217 9.731 -2.363 1.00 30.25 H new ATOM 0 HB ILE A 13 2.085 7.786 -2.587 1.00 44.23 H new ATOM 0 HG12 ILE A 13 -0.825 6.978 -2.597 1.00 51.25 H new ATOM 0 HG13 ILE A 13 -0.205 7.721 -4.057 1.00 51.25 H new ATOM 0 HG21 ILE A 13 0.973 6.637 -0.674 1.00 55.25 H new ATOM 0 HG22 ILE A 13 1.491 8.280 -0.230 1.00 55.25 H new ATOM 0 HG23 ILE A 13 -0.221 7.954 -0.590 1.00 55.25 H new ATOM 0 HD11 ILE A 13 0.030 5.275 -4.152 1.00 13.12 H new ATOM 0 HD12 ILE A 13 1.628 6.059 -4.142 1.00 13.12 H new ATOM 0 HD13 ILE A 13 0.998 5.303 -2.659 1.00 13.12 H new ATOM 209 N LEU A 14 3.013 10.371 -1.912 1.00 21.11 N ATOM 210 CA LEU A 14 4.005 11.146 -1.189 1.00 73.31 C ATOM 211 C LEU A 14 3.674 12.637 -1.268 1.00 43.23 C ATOM 212 O LEU A 14 3.714 13.337 -0.255 1.00 23.21 O ATOM 213 CB LEU A 14 5.375 10.803 -1.800 1.00 4.32 C ATOM 214 CG LEU A 14 6.011 9.524 -1.224 1.00 54.23 C ATOM 215 CD1 LEU A 14 5.100 8.297 -1.069 1.00 44.42 C ATOM 216 CD2 LEU A 14 7.221 9.133 -2.079 1.00 51.10 C ATOM 0 H LEU A 14 3.426 9.794 -2.645 1.00 21.11 H new ATOM 0 HA LEU A 14 4.016 10.901 -0.127 1.00 73.31 H new ATOM 0 HB2 LEU A 14 5.263 10.688 -2.878 1.00 4.32 H new ATOM 0 HB3 LEU A 14 6.054 11.640 -1.638 1.00 4.32 H new ATOM 0 HG LEU A 14 6.277 9.799 -0.203 1.00 54.23 H new ATOM 0 HD11 LEU A 14 5.673 7.468 -0.654 1.00 44.42 H new ATOM 0 HD12 LEU A 14 4.275 8.539 -0.399 1.00 44.42 H new ATOM 0 HD13 LEU A 14 4.705 8.012 -2.044 1.00 44.42 H new ATOM 0 HD21 LEU A 14 7.675 8.228 -1.675 1.00 51.10 H new ATOM 0 HD22 LEU A 14 6.899 8.951 -3.104 1.00 51.10 H new ATOM 0 HD23 LEU A 14 7.952 9.942 -2.067 1.00 51.10 H new ATOM 228 N LYS A 15 3.292 13.135 -2.445 1.00 74.44 N ATOM 229 CA LYS A 15 2.870 14.524 -2.606 1.00 34.43 C ATOM 230 C LYS A 15 1.469 14.779 -2.029 1.00 72.20 C ATOM 231 O LYS A 15 1.011 15.921 -2.076 1.00 74.31 O ATOM 232 CB LYS A 15 3.011 14.958 -4.079 1.00 62.41 C ATOM 233 CG LYS A 15 4.424 14.785 -4.688 1.00 15.12 C ATOM 234 CD LYS A 15 5.566 15.269 -3.777 1.00 34.51 C ATOM 235 CE LYS A 15 6.961 15.153 -4.411 1.00 24.34 C ATOM 236 NZ LYS A 15 7.199 16.126 -5.495 1.00 23.12 N ATOM 0 H LYS A 15 3.267 12.590 -3.307 1.00 74.44 H new ATOM 0 HA LYS A 15 3.536 15.155 -2.018 1.00 34.43 H new ATOM 0 HB2 LYS A 15 2.303 14.386 -4.678 1.00 62.41 H new ATOM 0 HB3 LYS A 15 2.724 16.006 -4.161 1.00 62.41 H new ATOM 0 HG2 LYS A 15 4.581 13.732 -4.920 1.00 15.12 H new ATOM 0 HG3 LYS A 15 4.470 15.330 -5.631 1.00 15.12 H new ATOM 0 HD2 LYS A 15 5.386 16.310 -3.507 1.00 34.51 H new ATOM 0 HD3 LYS A 15 5.549 14.692 -2.852 1.00 34.51 H new ATOM 0 HE2 LYS A 15 7.716 15.292 -3.637 1.00 24.34 H new ATOM 0 HE3 LYS A 15 7.090 14.145 -4.804 1.00 24.34 H new ATOM 0 HZ1 LYS A 15 8.157 15.992 -5.877 1.00 23.12 H new ATOM 0 HZ2 LYS A 15 6.501 15.980 -6.252 1.00 23.12 H new ATOM 0 HZ3 LYS A 15 7.107 17.092 -5.121 1.00 23.12 H new ATOM 250 N ASP A 16 0.811 13.791 -1.413 1.00 75.52 N ATOM 251 CA ASP A 16 -0.517 13.879 -0.787 1.00 1.02 C ATOM 252 C ASP A 16 -1.532 14.505 -1.744 1.00 3.03 C ATOM 253 O ASP A 16 -2.277 15.417 -1.385 1.00 41.51 O ATOM 254 CB ASP A 16 -0.409 14.616 0.553 1.00 12.34 C ATOM 255 CG ASP A 16 -1.638 14.508 1.464 1.00 74.11 C ATOM 256 OD1 ASP A 16 -2.311 13.454 1.502 1.00 1.24 O ATOM 257 OD2 ASP A 16 -1.812 15.444 2.285 1.00 4.12 O ATOM 0 H ASP A 16 1.211 12.856 -1.332 1.00 75.52 H new ATOM 0 HA ASP A 16 -0.890 12.878 -0.573 1.00 1.02 H new ATOM 0 HB2 ASP A 16 0.457 14.230 1.092 1.00 12.34 H new ATOM 0 HB3 ASP A 16 -0.217 15.670 0.354 1.00 12.34 H new ATOM 262 N GLU A 17 -1.474 14.062 -3.004 1.00 1.31 N ATOM 263 CA GLU A 17 -2.449 14.337 -4.034 1.00 73.01 C ATOM 264 C GLU A 17 -3.624 13.350 -3.910 1.00 40.42 C ATOM 265 O GLU A 17 -4.741 13.643 -4.336 1.00 40.43 O ATOM 266 CB GLU A 17 -1.682 14.173 -5.359 1.00 0.22 C ATOM 267 CG GLU A 17 -2.522 13.908 -6.602 1.00 2.41 C ATOM 268 CD GLU A 17 -3.307 15.147 -7.063 1.00 43.40 C ATOM 269 OE1 GLU A 17 -2.686 16.220 -7.235 1.00 1.22 O ATOM 270 OE2 GLU A 17 -4.526 15.059 -7.309 1.00 73.45 O ATOM 0 H GLU A 17 -0.707 13.477 -3.336 1.00 1.31 H new ATOM 0 HA GLU A 17 -2.884 15.334 -3.963 1.00 73.01 H new ATOM 0 HB2 GLU A 17 -1.097 15.077 -5.529 1.00 0.22 H new ATOM 0 HB3 GLU A 17 -0.974 13.352 -5.244 1.00 0.22 H new ATOM 0 HG2 GLU A 17 -1.872 13.573 -7.410 1.00 2.41 H new ATOM 0 HG3 GLU A 17 -3.220 13.096 -6.398 1.00 2.41 H new ATOM 277 N LEU A 18 -3.371 12.168 -3.340 1.00 3.31 N ATOM 278 CA LEU A 18 -4.400 11.239 -2.890 1.00 32.05 C ATOM 279 C LEU A 18 -4.963 11.736 -1.554 1.00 62.14 C ATOM 280 O LEU A 18 -4.913 12.924 -1.239 1.00 21.24 O ATOM 281 CB LEU A 18 -3.829 9.799 -2.888 1.00 22.13 C ATOM 282 CG LEU A 18 -3.997 9.159 -4.285 1.00 51.42 C ATOM 283 CD1 LEU A 18 -2.652 8.732 -4.836 1.00 32.15 C ATOM 284 CD2 LEU A 18 -5.033 8.040 -4.401 1.00 65.34 C ATOM 0 H LEU A 18 -2.423 11.827 -3.177 1.00 3.31 H new ATOM 0 HA LEU A 18 -5.252 11.200 -3.569 1.00 32.05 H new ATOM 0 HB2 LEU A 18 -2.775 9.818 -2.613 1.00 22.13 H new ATOM 0 HB3 LEU A 18 -4.343 9.197 -2.139 1.00 22.13 H new ATOM 0 HG LEU A 18 -4.420 9.953 -4.900 1.00 51.42 H new ATOM 0 HD11 LEU A 18 -2.788 8.283 -5.820 1.00 32.15 H new ATOM 0 HD12 LEU A 18 -2.001 9.602 -4.921 1.00 32.15 H new ATOM 0 HD13 LEU A 18 -2.198 8.003 -4.164 1.00 32.15 H new ATOM 0 HD21 LEU A 18 -5.058 7.672 -5.427 1.00 65.34 H new ATOM 0 HD22 LEU A 18 -4.764 7.224 -3.730 1.00 65.34 H new ATOM 0 HD23 LEU A 18 -6.016 8.425 -4.129 1.00 65.34 H new ATOM 296 N SER A 19 -5.602 10.843 -0.812 1.00 74.31 N ATOM 297 CA SER A 19 -6.362 11.161 0.387 1.00 34.41 C ATOM 298 C SER A 19 -6.156 10.039 1.401 1.00 34.45 C ATOM 299 O SER A 19 -5.393 9.108 1.146 1.00 42.13 O ATOM 300 CB SER A 19 -7.824 11.321 -0.044 1.00 4.42 C ATOM 301 OG SER A 19 -8.678 11.902 0.916 1.00 4.24 O ATOM 0 H SER A 19 -5.606 9.848 -1.035 1.00 74.31 H new ATOM 0 HA SER A 19 -6.039 12.085 0.867 1.00 34.41 H new ATOM 0 HB2 SER A 19 -7.854 11.930 -0.948 1.00 4.42 H new ATOM 0 HB3 SER A 19 -8.217 10.339 -0.308 1.00 4.42 H new ATOM 0 HG SER A 19 -9.586 11.964 0.551 1.00 4.24 H new ATOM 307 N ASP A 20 -6.828 10.078 2.548 1.00 72.33 N ATOM 308 CA ASP A 20 -6.744 8.997 3.531 1.00 64.15 C ATOM 309 C ASP A 20 -7.352 7.748 2.899 1.00 71.43 C ATOM 310 O ASP A 20 -6.639 6.781 2.630 1.00 45.12 O ATOM 311 CB ASP A 20 -7.405 9.360 4.866 1.00 12.10 C ATOM 312 CG ASP A 20 -6.756 10.582 5.506 1.00 14.30 C ATOM 313 OD1 ASP A 20 -5.730 10.453 6.212 1.00 32.42 O ATOM 314 OD2 ASP A 20 -7.282 11.692 5.290 1.00 12.11 O ATOM 0 H ASP A 20 -7.439 10.848 2.822 1.00 72.33 H new ATOM 0 HA ASP A 20 -5.700 8.812 3.784 1.00 64.15 H new ATOM 0 HB2 ASP A 20 -8.466 9.554 4.705 1.00 12.10 H new ATOM 0 HB3 ASP A 20 -7.336 8.513 5.548 1.00 12.10 H new ATOM 319 N ALA A 21 -8.649 7.793 2.576 1.00 5.51 N ATOM 320 CA ALA A 21 -9.357 6.688 1.948 1.00 5.41 C ATOM 321 C ALA A 21 -8.797 6.361 0.564 1.00 61.10 C ATOM 322 O ALA A 21 -8.637 5.193 0.217 1.00 21.03 O ATOM 323 CB ALA A 21 -10.837 7.041 1.820 1.00 55.22 C ATOM 0 H ALA A 21 -9.237 8.609 2.748 1.00 5.51 H new ATOM 0 HA ALA A 21 -9.225 5.809 2.579 1.00 5.41 H new ATOM 0 HB1 ALA A 21 -11.369 6.214 1.350 1.00 55.22 H new ATOM 0 HB2 ALA A 21 -11.254 7.224 2.810 1.00 55.22 H new ATOM 0 HB3 ALA A 21 -10.946 7.937 1.209 1.00 55.22 H new ATOM 329 N GLU A 22 -8.531 7.377 -0.255 1.00 4.13 N ATOM 330 CA GLU A 22 -8.217 7.130 -1.657 1.00 20.45 C ATOM 331 C GLU A 22 -6.784 6.640 -1.814 1.00 1.15 C ATOM 332 O GLU A 22 -6.525 5.776 -2.650 1.00 34.30 O ATOM 333 CB GLU A 22 -8.499 8.366 -2.513 1.00 12.04 C ATOM 334 CG GLU A 22 -9.994 8.699 -2.457 1.00 21.23 C ATOM 335 CD GLU A 22 -10.397 9.676 -3.555 1.00 1.35 C ATOM 336 OE1 GLU A 22 -10.499 9.243 -4.729 1.00 32.34 O ATOM 337 OE2 GLU A 22 -10.625 10.866 -3.241 1.00 73.34 O ATOM 0 H GLU A 22 -8.527 8.359 0.022 1.00 4.13 H new ATOM 0 HA GLU A 22 -8.872 6.337 -2.019 1.00 20.45 H new ATOM 0 HB2 GLU A 22 -7.914 9.212 -2.152 1.00 12.04 H new ATOM 0 HB3 GLU A 22 -8.195 8.184 -3.544 1.00 12.04 H new ATOM 0 HG2 GLU A 22 -10.575 7.782 -2.555 1.00 21.23 H new ATOM 0 HG3 GLU A 22 -10.235 9.126 -1.484 1.00 21.23 H new ATOM 344 N ALA A 23 -5.845 7.122 -0.986 1.00 72.43 N ATOM 345 CA ALA A 23 -4.499 6.573 -1.058 1.00 14.53 C ATOM 346 C ALA A 23 -4.537 5.098 -0.614 1.00 30.41 C ATOM 347 O ALA A 23 -3.734 4.307 -1.101 1.00 64.42 O ATOM 348 CB ALA A 23 -3.501 7.319 -0.175 1.00 41.24 C ATOM 0 H ALA A 23 -5.988 7.856 -0.292 1.00 72.43 H new ATOM 0 HA ALA A 23 -4.165 6.676 -2.091 1.00 14.53 H new ATOM 0 HB1 ALA A 23 -2.516 6.862 -0.273 1.00 41.24 H new ATOM 0 HB2 ALA A 23 -3.449 8.362 -0.486 1.00 41.24 H new ATOM 0 HB3 ALA A 23 -3.824 7.266 0.865 1.00 41.24 H new ATOM 354 N ASN A 24 -5.408 4.748 0.343 1.00 31.42 N ATOM 355 CA ASN A 24 -5.689 3.393 0.829 1.00 21.14 C ATOM 356 C ASN A 24 -6.149 2.506 -0.319 1.00 53.54 C ATOM 357 O ASN A 24 -5.612 1.417 -0.506 1.00 12.43 O ATOM 358 CB ASN A 24 -6.799 3.429 1.905 1.00 20.24 C ATOM 359 CG ASN A 24 -6.406 2.919 3.279 1.00 51.24 C ATOM 360 OD1 ASN A 24 -5.461 2.168 3.456 1.00 11.51 O ATOM 361 ND2 ASN A 24 -7.128 3.353 4.295 1.00 11.12 N ATOM 0 H ASN A 24 -5.969 5.449 0.827 1.00 31.42 H new ATOM 0 HA ASN A 24 -4.773 2.990 1.260 1.00 21.14 H new ATOM 0 HB2 ASN A 24 -7.147 4.457 2.006 1.00 20.24 H new ATOM 0 HB3 ASN A 24 -7.644 2.840 1.548 1.00 20.24 H new ATOM 0 HD21 ASN A 24 -6.899 3.061 5.245 1.00 11.12 H new ATOM 0 HD22 ASN A 24 -7.915 3.981 4.130 1.00 11.12 H new ATOM 368 N ALA A 25 -7.123 2.989 -1.097 1.00 43.11 N ATOM 369 CA ALA A 25 -7.785 2.242 -2.154 1.00 33.42 C ATOM 370 C ALA A 25 -6.781 1.569 -3.090 1.00 21.40 C ATOM 371 O ALA A 25 -6.927 0.383 -3.379 1.00 34.21 O ATOM 372 CB ALA A 25 -8.734 3.169 -2.916 1.00 43.45 C ATOM 0 H ALA A 25 -7.478 3.940 -1.000 1.00 43.11 H new ATOM 0 HA ALA A 25 -8.366 1.439 -1.701 1.00 33.42 H new ATOM 0 HB1 ALA A 25 -9.231 2.609 -3.709 1.00 43.45 H new ATOM 0 HB2 ALA A 25 -9.481 3.568 -2.230 1.00 43.45 H new ATOM 0 HB3 ALA A 25 -8.167 3.991 -3.353 1.00 43.45 H new ATOM 378 N LEU A 26 -5.733 2.287 -3.515 1.00 53.14 N ATOM 379 CA LEU A 26 -4.670 1.796 -4.396 1.00 31.45 C ATOM 380 C LEU A 26 -3.923 0.578 -3.839 1.00 5.35 C ATOM 381 O LEU A 26 -3.299 -0.157 -4.604 1.00 53.33 O ATOM 382 CB LEU A 26 -3.639 2.915 -4.603 1.00 72.14 C ATOM 383 CG LEU A 26 -4.127 4.163 -5.354 1.00 33.11 C ATOM 384 CD1 LEU A 26 -3.002 5.201 -5.335 1.00 73.33 C ATOM 385 CD2 LEU A 26 -4.496 3.844 -6.802 1.00 44.21 C ATOM 0 H LEU A 26 -5.599 3.261 -3.244 1.00 53.14 H new ATOM 0 HA LEU A 26 -5.155 1.494 -5.325 1.00 31.45 H new ATOM 0 HB2 LEU A 26 -3.272 3.227 -3.625 1.00 72.14 H new ATOM 0 HB3 LEU A 26 -2.789 2.500 -5.145 1.00 72.14 H new ATOM 0 HG LEU A 26 -5.022 4.542 -4.861 1.00 33.11 H new ATOM 0 HD11 LEU A 26 -3.325 6.098 -5.863 1.00 73.33 H new ATOM 0 HD12 LEU A 26 -2.759 5.455 -4.303 1.00 73.33 H new ATOM 0 HD13 LEU A 26 -2.119 4.790 -5.825 1.00 73.33 H new ATOM 0 HD21 LEU A 26 -4.836 4.752 -7.299 1.00 44.21 H new ATOM 0 HD22 LEU A 26 -3.622 3.451 -7.322 1.00 44.21 H new ATOM 0 HD23 LEU A 26 -5.293 3.101 -6.819 1.00 44.21 H new ATOM 397 N VAL A 27 -3.927 0.363 -2.524 1.00 11.41 N ATOM 398 CA VAL A 27 -3.364 -0.825 -1.890 1.00 71.40 C ATOM 399 C VAL A 27 -4.420 -1.937 -1.948 1.00 0.44 C ATOM 400 O VAL A 27 -4.115 -3.045 -2.393 1.00 22.11 O ATOM 401 CB VAL A 27 -2.930 -0.486 -0.445 1.00 22.33 C ATOM 402 CG1 VAL A 27 -2.197 -1.654 0.232 1.00 51.52 C ATOM 403 CG2 VAL A 27 -1.998 0.738 -0.400 1.00 23.01 C ATOM 0 H VAL A 27 -4.330 1.023 -1.858 1.00 11.41 H new ATOM 0 HA VAL A 27 -2.471 -1.172 -2.410 1.00 71.40 H new ATOM 0 HB VAL A 27 -3.855 -0.273 0.091 1.00 22.33 H new ATOM 0 HG11 VAL A 27 -1.913 -1.367 1.244 1.00 51.52 H new ATOM 0 HG12 VAL A 27 -2.855 -2.522 0.272 1.00 51.52 H new ATOM 0 HG13 VAL A 27 -1.303 -1.903 -0.339 1.00 51.52 H new ATOM 0 HG21 VAL A 27 -1.716 0.943 0.633 1.00 23.01 H new ATOM 0 HG22 VAL A 27 -1.102 0.535 -0.987 1.00 23.01 H new ATOM 0 HG23 VAL A 27 -2.515 1.604 -0.814 1.00 23.01 H new ATOM 413 N TRP A 28 -5.666 -1.635 -1.565 1.00 13.41 N ATOM 414 CA TRP A 28 -6.763 -2.596 -1.517 1.00 51.43 C ATOM 415 C TRP A 28 -6.999 -3.242 -2.890 1.00 62.41 C ATOM 416 O TRP A 28 -7.210 -4.459 -2.976 1.00 4.10 O ATOM 417 CB TRP A 28 -8.029 -1.893 -1.001 1.00 42.35 C ATOM 418 CG TRP A 28 -7.955 -1.139 0.302 1.00 62.55 C ATOM 419 CD1 TRP A 28 -7.033 -1.286 1.284 1.00 61.21 C ATOM 420 CD2 TRP A 28 -8.894 -0.142 0.804 1.00 12.42 C ATOM 421 NE1 TRP A 28 -7.342 -0.474 2.355 1.00 32.30 N ATOM 422 CE2 TRP A 28 -8.498 0.231 2.121 1.00 63.25 C ATOM 423 CE3 TRP A 28 -10.069 0.457 0.302 1.00 42.23 C ATOM 424 CZ2 TRP A 28 -9.254 1.096 2.919 1.00 45.14 C ATOM 425 CZ3 TRP A 28 -10.814 1.366 1.075 1.00 31.35 C ATOM 426 CH2 TRP A 28 -10.417 1.675 2.387 1.00 42.15 C ATOM 0 H TRP A 28 -5.941 -0.696 -1.275 1.00 13.41 H new ATOM 0 HA TRP A 28 -6.502 -3.402 -0.831 1.00 51.43 H new ATOM 0 HB2 TRP A 28 -8.356 -1.193 -1.770 1.00 42.35 H new ATOM 0 HB3 TRP A 28 -8.810 -2.647 -0.903 1.00 42.35 H new ATOM 0 HD1 TRP A 28 -6.179 -1.945 1.235 1.00 61.21 H new ATOM 0 HE1 TRP A 28 -6.786 -0.406 3.208 1.00 32.30 H new ATOM 0 HE3 TRP A 28 -10.403 0.213 -0.696 1.00 42.23 H new ATOM 0 HZ2 TRP A 28 -8.947 1.316 3.931 1.00 45.14 H new ATOM 0 HZ3 TRP A 28 -11.696 1.829 0.658 1.00 31.35 H new ATOM 0 HH2 TRP A 28 -11.005 2.356 2.984 1.00 42.15 H new ATOM 437 N GLN A 29 -6.936 -2.455 -3.973 1.00 33.33 N ATOM 438 CA GLN A 29 -7.039 -2.977 -5.334 1.00 43.33 C ATOM 439 C GLN A 29 -5.922 -3.985 -5.631 1.00 21.25 C ATOM 440 O GLN A 29 -6.193 -5.040 -6.200 1.00 14.23 O ATOM 441 CB GLN A 29 -7.086 -1.855 -6.388 1.00 60.33 C ATOM 442 CG GLN A 29 -5.953 -0.848 -6.301 1.00 34.44 C ATOM 443 CD GLN A 29 -5.667 -0.128 -7.609 1.00 62.01 C ATOM 444 OE1 GLN A 29 -4.566 -0.200 -8.149 1.00 41.44 O ATOM 445 NE2 GLN A 29 -6.627 0.589 -8.144 1.00 34.23 N ATOM 0 H GLN A 29 -6.813 -1.444 -3.926 1.00 33.33 H new ATOM 0 HA GLN A 29 -7.989 -3.507 -5.400 1.00 43.33 H new ATOM 0 HB2 GLN A 29 -7.075 -2.307 -7.380 1.00 60.33 H new ATOM 0 HB3 GLN A 29 -8.033 -1.324 -6.290 1.00 60.33 H new ATOM 0 HG2 GLN A 29 -6.194 -0.110 -5.536 1.00 34.44 H new ATOM 0 HG3 GLN A 29 -5.048 -1.361 -5.975 1.00 34.44 H new ATOM 0 HE21 GLN A 29 -7.538 0.643 -7.688 1.00 34.23 H new ATOM 0 HE22 GLN A 29 -6.462 1.093 -9.016 1.00 34.23 H new ATOM 454 N ALA A 30 -4.672 -3.676 -5.263 1.00 75.44 N ATOM 455 CA ALA A 30 -3.517 -4.494 -5.591 1.00 13.21 C ATOM 456 C ALA A 30 -3.678 -5.866 -4.953 1.00 1.45 C ATOM 457 O ALA A 30 -3.538 -6.870 -5.653 1.00 20.00 O ATOM 458 CB ALA A 30 -2.228 -3.795 -5.149 1.00 4.10 C ATOM 0 H ALA A 30 -4.441 -2.841 -4.724 1.00 75.44 H new ATOM 0 HA ALA A 30 -3.449 -4.630 -6.670 1.00 13.21 H new ATOM 0 HB1 ALA A 30 -1.371 -4.419 -5.401 1.00 4.10 H new ATOM 0 HB2 ALA A 30 -2.141 -2.836 -5.659 1.00 4.10 H new ATOM 0 HB3 ALA A 30 -2.254 -3.632 -4.072 1.00 4.10 H new ATOM 464 N LEU A 31 -4.043 -5.908 -3.662 1.00 71.12 N ATOM 465 CA LEU A 31 -4.391 -7.155 -2.985 1.00 71.35 C ATOM 466 C LEU A 31 -5.480 -7.852 -3.776 1.00 14.33 C ATOM 467 O LEU A 31 -5.323 -9.018 -4.111 1.00 55.24 O ATOM 468 CB LEU A 31 -4.834 -6.958 -1.520 1.00 50.12 C ATOM 469 CG LEU A 31 -3.712 -6.834 -0.473 1.00 24.23 C ATOM 470 CD1 LEU A 31 -2.630 -7.904 -0.621 1.00 23.25 C ATOM 471 CD2 LEU A 31 -3.099 -5.438 -0.483 1.00 11.34 C ATOM 0 H LEU A 31 -4.103 -5.082 -3.067 1.00 71.12 H new ATOM 0 HA LEU A 31 -3.490 -7.767 -2.943 1.00 71.35 H new ATOM 0 HB2 LEU A 31 -5.450 -6.060 -1.468 1.00 50.12 H new ATOM 0 HB3 LEU A 31 -5.470 -7.798 -1.240 1.00 50.12 H new ATOM 0 HG LEU A 31 -4.183 -7.001 0.496 1.00 24.23 H new ATOM 0 HD11 LEU A 31 -1.869 -7.761 0.146 1.00 23.25 H new ATOM 0 HD12 LEU A 31 -3.077 -8.892 -0.509 1.00 23.25 H new ATOM 0 HD13 LEU A 31 -2.171 -7.823 -1.606 1.00 23.25 H new ATOM 0 HD21 LEU A 31 -2.310 -5.382 0.267 1.00 11.34 H new ATOM 0 HD22 LEU A 31 -2.679 -5.232 -1.468 1.00 11.34 H new ATOM 0 HD23 LEU A 31 -3.869 -4.701 -0.255 1.00 11.34 H new ATOM 483 N GLY A 32 -6.530 -7.128 -4.158 1.00 41.34 N ATOM 484 CA GLY A 32 -7.596 -7.646 -4.999 1.00 32.14 C ATOM 485 C GLY A 32 -8.933 -7.668 -4.285 1.00 41.23 C ATOM 486 O GLY A 32 -9.783 -8.464 -4.674 1.00 45.52 O ATOM 0 H GLY A 32 -6.662 -6.154 -3.886 1.00 41.34 H new ATOM 0 HA2 GLY A 32 -7.677 -7.034 -5.898 1.00 32.14 H new ATOM 0 HA3 GLY A 32 -7.343 -8.656 -5.322 1.00 32.14 H new ATOM 490 N TYR A 33 -9.122 -6.856 -3.243 1.00 21.11 N ATOM 491 CA TYR A 33 -10.399 -6.817 -2.551 1.00 32.34 C ATOM 492 C TYR A 33 -11.464 -6.126 -3.405 1.00 41.31 C ATOM 493 O TYR A 33 -12.590 -6.594 -3.418 1.00 53.22 O ATOM 494 CB TYR A 33 -10.264 -6.131 -1.195 1.00 12.40 C ATOM 495 CG TYR A 33 -9.412 -6.870 -0.176 1.00 73.02 C ATOM 496 CD1 TYR A 33 -9.984 -7.875 0.630 1.00 74.13 C ATOM 497 CD2 TYR A 33 -8.069 -6.504 0.020 1.00 43.04 C ATOM 498 CE1 TYR A 33 -9.235 -8.487 1.654 1.00 12.42 C ATOM 499 CE2 TYR A 33 -7.305 -7.130 1.019 1.00 44.22 C ATOM 500 CZ TYR A 33 -7.889 -8.104 1.857 1.00 44.44 C ATOM 501 OH TYR A 33 -7.131 -8.641 2.852 1.00 35.30 O ATOM 0 H TYR A 33 -8.413 -6.226 -2.868 1.00 21.11 H new ATOM 0 HA TYR A 33 -10.718 -7.845 -2.380 1.00 32.34 H new ATOM 0 HB2 TYR A 33 -9.839 -5.139 -1.349 1.00 12.40 H new ATOM 0 HB3 TYR A 33 -11.261 -5.990 -0.777 1.00 12.40 H new ATOM 0 HD1 TYR A 33 -11.006 -8.179 0.461 1.00 74.13 H new ATOM 0 HD2 TYR A 33 -7.623 -5.739 -0.599 1.00 43.04 H new ATOM 0 HE1 TYR A 33 -9.686 -9.243 2.280 1.00 12.42 H new ATOM 0 HE2 TYR A 33 -6.266 -6.865 1.146 1.00 44.22 H new ATOM 0 HH TYR A 33 -7.536 -9.481 3.155 1.00 35.30 H new ATOM 511 N VAL A 34 -11.125 -5.024 -4.098 1.00 61.51 N ATOM 512 CA VAL A 34 -11.888 -4.415 -5.190 1.00 53.53 C ATOM 513 C VAL A 34 -13.393 -4.355 -4.922 1.00 30.12 C ATOM 514 O VAL A 34 -14.116 -5.271 -5.279 1.00 41.32 O ATOM 515 CB VAL A 34 -11.492 -4.921 -6.595 1.00 71.31 C ATOM 516 CG1 VAL A 34 -11.367 -6.436 -6.766 1.00 24.02 C ATOM 517 CG2 VAL A 34 -12.465 -4.383 -7.647 1.00 13.23 C ATOM 0 H VAL A 34 -10.266 -4.512 -3.897 1.00 61.51 H new ATOM 0 HA VAL A 34 -11.581 -3.369 -5.207 1.00 53.53 H new ATOM 0 HB VAL A 34 -10.483 -4.533 -6.732 1.00 71.31 H new ATOM 0 HG11 VAL A 34 -11.085 -6.664 -7.794 1.00 24.02 H new ATOM 0 HG12 VAL A 34 -10.604 -6.817 -6.087 1.00 24.02 H new ATOM 0 HG13 VAL A 34 -12.323 -6.908 -6.539 1.00 24.02 H new ATOM 0 HG21 VAL A 34 -12.174 -4.748 -8.632 1.00 13.23 H new ATOM 0 HG22 VAL A 34 -13.474 -4.724 -7.417 1.00 13.23 H new ATOM 0 HG23 VAL A 34 -12.441 -3.293 -7.642 1.00 13.23 H new ATOM 527 N TRP A 35 -13.866 -3.251 -4.352 1.00 14.12 N ATOM 528 CA TRP A 35 -15.266 -3.029 -4.030 1.00 34.41 C ATOM 529 C TRP A 35 -16.217 -3.369 -5.178 1.00 73.32 C ATOM 530 O TRP A 35 -16.115 -2.825 -6.287 1.00 22.31 O ATOM 531 CB TRP A 35 -15.399 -1.582 -3.596 1.00 51.00 C ATOM 532 CG TRP A 35 -16.790 -1.112 -3.331 1.00 24.43 C ATOM 533 CD1 TRP A 35 -17.551 -0.421 -4.203 1.00 62.45 C ATOM 534 CD2 TRP A 35 -17.608 -1.299 -2.143 1.00 73.22 C ATOM 535 NE1 TRP A 35 -18.763 -0.119 -3.621 1.00 20.50 N ATOM 536 CE2 TRP A 35 -18.857 -0.642 -2.346 1.00 43.22 C ATOM 537 CE3 TRP A 35 -17.411 -1.956 -0.915 1.00 0.44 C ATOM 538 CZ2 TRP A 35 -19.859 -0.631 -1.365 1.00 72.42 C ATOM 539 CZ3 TRP A 35 -18.398 -1.939 0.085 1.00 60.24 C ATOM 540 CH2 TRP A 35 -19.619 -1.278 -0.139 1.00 52.34 C ATOM 0 H TRP A 35 -13.267 -2.466 -4.095 1.00 14.12 H new ATOM 0 HA TRP A 35 -15.562 -3.706 -3.228 1.00 34.41 H new ATOM 0 HB2 TRP A 35 -14.808 -1.437 -2.692 1.00 51.00 H new ATOM 0 HB3 TRP A 35 -14.962 -0.949 -4.368 1.00 51.00 H new ATOM 0 HD1 TRP A 35 -17.256 -0.146 -5.205 1.00 62.45 H new ATOM 0 HE1 TRP A 35 -19.498 0.423 -4.075 1.00 20.50 H new ATOM 0 HE3 TRP A 35 -16.485 -2.483 -0.738 1.00 0.44 H new ATOM 0 HZ2 TRP A 35 -20.800 -0.134 -1.548 1.00 72.42 H new ATOM 0 HZ3 TRP A 35 -18.219 -2.435 1.028 1.00 60.24 H new ATOM 0 HH2 TRP A 35 -20.375 -1.267 0.632 1.00 52.34 H new ATOM 551 N ASP A 36 -17.136 -4.277 -4.880 1.00 21.32 N ATOM 552 CA ASP A 36 -18.219 -4.790 -5.686 1.00 15.24 C ATOM 553 C ASP A 36 -19.388 -3.867 -5.396 1.00 54.11 C ATOM 554 O ASP A 36 -20.245 -4.162 -4.562 1.00 65.22 O ATOM 555 CB ASP A 36 -18.616 -6.224 -5.274 1.00 73.00 C ATOM 556 CG ASP A 36 -17.651 -7.320 -5.406 1.00 12.32 C ATOM 557 OD1 ASP A 36 -16.469 -7.011 -5.235 1.00 75.40 O ATOM 558 OD2 ASP A 36 -18.095 -8.479 -5.558 1.00 51.22 O ATOM 0 H ASP A 36 -17.134 -4.718 -3.960 1.00 21.32 H new ATOM 0 HA ASP A 36 -17.932 -4.826 -6.737 1.00 15.24 H new ATOM 0 HB2 ASP A 36 -18.923 -6.187 -4.229 1.00 73.00 H new ATOM 0 HB3 ASP A 36 -19.497 -6.496 -5.856 1.00 73.00 H new ATOM 563 N GLU A 37 -19.437 -2.727 -6.078 1.00 73.24 N ATOM 564 CA GLU A 37 -20.518 -1.756 -5.920 1.00 3.05 C ATOM 565 C GLU A 37 -21.893 -2.389 -6.188 1.00 2.12 C ATOM 566 O GLU A 37 -22.892 -1.981 -5.600 1.00 53.21 O ATOM 567 CB GLU A 37 -20.216 -0.579 -6.857 1.00 4.21 C ATOM 568 CG GLU A 37 -21.238 0.568 -6.814 1.00 21.42 C ATOM 569 CD GLU A 37 -21.042 1.547 -7.974 1.00 60.22 C ATOM 570 OE1 GLU A 37 -20.985 1.082 -9.143 1.00 4.22 O ATOM 571 OE2 GLU A 37 -20.962 2.770 -7.736 1.00 64.54 O ATOM 0 H GLU A 37 -18.728 -2.449 -6.757 1.00 73.24 H new ATOM 0 HA GLU A 37 -20.566 -1.400 -4.891 1.00 3.05 H new ATOM 0 HB2 GLU A 37 -19.233 -0.179 -6.607 1.00 4.21 H new ATOM 0 HB3 GLU A 37 -20.157 -0.954 -7.879 1.00 4.21 H new ATOM 0 HG2 GLU A 37 -22.247 0.157 -6.851 1.00 21.42 H new ATOM 0 HG3 GLU A 37 -21.146 1.102 -5.868 1.00 21.42 H new ATOM 578 N ALA A 38 -21.941 -3.418 -7.034 1.00 71.20 N ATOM 579 CA ALA A 38 -23.138 -4.179 -7.344 1.00 74.55 C ATOM 580 C ALA A 38 -23.569 -5.103 -6.195 1.00 71.44 C ATOM 581 O ALA A 38 -24.740 -5.473 -6.137 1.00 11.12 O ATOM 582 CB ALA A 38 -22.855 -5.002 -8.601 1.00 62.23 C ATOM 0 H ALA A 38 -21.118 -3.751 -7.536 1.00 71.20 H new ATOM 0 HA ALA A 38 -23.962 -3.483 -7.501 1.00 74.55 H new ATOM 0 HB1 ALA A 38 -23.738 -5.586 -8.860 1.00 62.23 H new ATOM 0 HB2 ALA A 38 -22.608 -4.333 -9.426 1.00 62.23 H new ATOM 0 HB3 ALA A 38 -22.017 -5.674 -8.415 1.00 62.23 H new ATOM 588 N GLN A 39 -22.646 -5.511 -5.315 1.00 44.15 N ATOM 589 CA GLN A 39 -22.907 -6.348 -4.150 1.00 40.32 C ATOM 590 C GLN A 39 -22.854 -5.567 -2.829 1.00 73.21 C ATOM 591 O GLN A 39 -23.076 -6.159 -1.772 1.00 22.15 O ATOM 592 CB GLN A 39 -21.954 -7.518 -4.111 1.00 13.24 C ATOM 593 CG GLN A 39 -22.273 -8.658 -5.055 1.00 21.33 C ATOM 594 CD GLN A 39 -23.475 -8.505 -5.949 1.00 72.52 C ATOM 595 OE1 GLN A 39 -24.623 -8.693 -5.561 1.00 34.20 O ATOM 596 NE2 GLN A 39 -23.232 -8.073 -7.156 1.00 25.34 N ATOM 0 H GLN A 39 -21.663 -5.255 -5.403 1.00 44.15 H new ATOM 0 HA GLN A 39 -23.926 -6.719 -4.255 1.00 40.32 H new ATOM 0 HB2 GLN A 39 -20.952 -7.154 -4.337 1.00 13.24 H new ATOM 0 HB3 GLN A 39 -21.930 -7.909 -3.094 1.00 13.24 H new ATOM 0 HG2 GLN A 39 -21.402 -8.824 -5.689 1.00 21.33 H new ATOM 0 HG3 GLN A 39 -22.410 -9.560 -4.459 1.00 21.33 H new ATOM 0 HE21 GLN A 39 -22.270 -7.923 -7.460 1.00 25.34 H new ATOM 0 HE22 GLN A 39 -24.004 -7.885 -7.796 1.00 25.34 H new ATOM 605 N SER A 40 -22.532 -4.270 -2.855 1.00 54.22 N ATOM 606 CA SER A 40 -22.178 -3.453 -1.700 1.00 35.42 C ATOM 607 C SER A 40 -21.153 -4.119 -0.760 1.00 62.44 C ATOM 608 O SER A 40 -21.207 -3.933 0.457 1.00 30.32 O ATOM 609 CB SER A 40 -23.456 -2.963 -1.005 1.00 74.23 C ATOM 610 OG SER A 40 -24.281 -4.017 -0.530 1.00 30.34 O ATOM 0 H SER A 40 -22.511 -3.740 -3.726 1.00 54.22 H new ATOM 0 HA SER A 40 -21.641 -2.573 -2.054 1.00 35.42 H new ATOM 0 HB2 SER A 40 -23.182 -2.321 -0.168 1.00 74.23 H new ATOM 0 HB3 SER A 40 -24.028 -2.351 -1.702 1.00 74.23 H new ATOM 0 HG SER A 40 -23.878 -4.879 -0.765 1.00 30.34 H new ATOM 616 N CYS A 41 -20.240 -4.927 -1.305 1.00 33.40 N ATOM 617 CA CYS A 41 -19.288 -5.731 -0.547 1.00 74.23 C ATOM 618 C CYS A 41 -17.929 -5.701 -1.239 1.00 74.32 C ATOM 619 O CYS A 41 -17.740 -5.014 -2.241 1.00 14.25 O ATOM 620 CB CYS A 41 -19.821 -7.169 -0.390 1.00 23.34 C ATOM 621 SG CYS A 41 -21.164 -7.205 0.830 1.00 1.42 S ATOM 0 H CYS A 41 -20.143 -5.040 -2.314 1.00 33.40 H new ATOM 0 HA CYS A 41 -19.165 -5.316 0.453 1.00 74.23 H new ATOM 0 HB2 CYS A 41 -20.181 -7.539 -1.350 1.00 23.34 H new ATOM 0 HB3 CYS A 41 -19.015 -7.832 -0.075 1.00 23.34 H new ATOM 0 HG CYS A 41 -21.521 -5.989 1.119 1.00 1.42 H new ATOM 627 N TRP A 42 -16.976 -6.442 -0.691 1.00 32.32 N ATOM 628 CA TRP A 42 -15.646 -6.620 -1.237 1.00 50.34 C ATOM 629 C TRP A 42 -15.604 -8.011 -1.879 1.00 44.42 C ATOM 630 O TRP A 42 -16.161 -8.967 -1.329 1.00 35.43 O ATOM 631 CB TRP A 42 -14.662 -6.477 -0.066 1.00 35.41 C ATOM 632 CG TRP A 42 -14.810 -5.183 0.690 1.00 73.25 C ATOM 633 CD1 TRP A 42 -15.482 -4.984 1.852 1.00 33.31 C ATOM 634 CD2 TRP A 42 -14.298 -3.875 0.308 1.00 11.01 C ATOM 635 NE1 TRP A 42 -15.496 -3.639 2.153 1.00 15.21 N ATOM 636 CE2 TRP A 42 -14.757 -2.912 1.250 1.00 23.22 C ATOM 637 CE3 TRP A 42 -13.478 -3.410 -0.739 1.00 2.32 C ATOM 638 CZ2 TRP A 42 -14.423 -1.557 1.152 1.00 33.42 C ATOM 639 CZ3 TRP A 42 -13.100 -2.057 -0.826 1.00 21.42 C ATOM 640 CH2 TRP A 42 -13.586 -1.129 0.110 1.00 2.21 C ATOM 0 H TRP A 42 -17.118 -6.954 0.180 1.00 32.32 H new ATOM 0 HA TRP A 42 -15.381 -5.888 -2.000 1.00 50.34 H new ATOM 0 HB2 TRP A 42 -14.806 -7.309 0.623 1.00 35.41 H new ATOM 0 HB3 TRP A 42 -13.643 -6.551 -0.447 1.00 35.41 H new ATOM 0 HD1 TRP A 42 -15.936 -5.761 2.449 1.00 33.31 H new ATOM 0 HE1 TRP A 42 -15.993 -3.234 2.946 1.00 15.21 H new ATOM 0 HE3 TRP A 42 -13.133 -4.105 -1.490 1.00 2.32 H new ATOM 0 HZ2 TRP A 42 -14.805 -0.848 1.871 1.00 33.42 H new ATOM 0 HZ3 TRP A 42 -12.436 -1.732 -1.613 1.00 21.42 H new ATOM 0 HH2 TRP A 42 -13.316 -0.087 0.028 1.00 2.21 H new ATOM 651 N LYS A 43 -14.989 -8.172 -3.050 1.00 4.43 N ATOM 652 CA LYS A 43 -14.514 -9.492 -3.475 1.00 24.24 C ATOM 653 C LYS A 43 -13.437 -9.975 -2.502 1.00 23.22 C ATOM 654 O LYS A 43 -12.769 -9.182 -1.836 1.00 33.42 O ATOM 655 CB LYS A 43 -13.903 -9.444 -4.867 1.00 42.24 C ATOM 656 CG LYS A 43 -14.946 -9.198 -5.910 1.00 75.12 C ATOM 657 CD LYS A 43 -15.028 -9.877 -7.259 1.00 45.34 C ATOM 658 CE LYS A 43 -16.241 -9.123 -7.835 1.00 64.42 C ATOM 659 NZ LYS A 43 -17.509 -9.869 -7.830 1.00 13.02 N ATOM 0 H LYS A 43 -14.809 -7.419 -3.714 1.00 4.43 H new ATOM 0 HA LYS A 43 -15.370 -10.167 -3.487 1.00 24.24 H new ATOM 0 HB2 LYS A 43 -13.151 -8.656 -4.909 1.00 42.24 H new ATOM 0 HB3 LYS A 43 -13.392 -10.384 -5.075 1.00 42.24 H new ATOM 0 HG2 LYS A 43 -15.902 -9.393 -5.423 1.00 75.12 H new ATOM 0 HG3 LYS A 43 -14.907 -8.129 -6.120 1.00 75.12 H new ATOM 0 HD2 LYS A 43 -14.126 -9.740 -7.855 1.00 45.34 H new ATOM 0 HD3 LYS A 43 -15.198 -10.951 -7.180 1.00 45.34 H new ATOM 0 HE2 LYS A 43 -16.378 -8.203 -7.267 1.00 64.42 H new ATOM 0 HE3 LYS A 43 -16.014 -8.833 -8.861 1.00 64.42 H new ATOM 0 HZ1 LYS A 43 -18.040 -9.657 -8.699 1.00 13.02 H new ATOM 0 HZ2 LYS A 43 -17.311 -10.889 -7.785 1.00 13.02 H new ATOM 0 HZ3 LYS A 43 -18.073 -9.589 -7.003 1.00 13.02 H new ATOM 673 N THR A 44 -13.147 -11.271 -2.534 1.00 44.41 N ATOM 674 CA THR A 44 -11.971 -11.836 -1.869 1.00 3.54 C ATOM 675 C THR A 44 -11.273 -12.900 -2.732 1.00 10.33 C ATOM 676 O THR A 44 -10.312 -13.528 -2.291 1.00 72.43 O ATOM 677 CB THR A 44 -12.349 -12.315 -0.448 1.00 73.14 C ATOM 678 OG1 THR A 44 -13.681 -12.789 -0.358 1.00 72.04 O ATOM 679 CG2 THR A 44 -12.217 -11.189 0.582 1.00 44.43 C ATOM 0 H THR A 44 -13.718 -11.962 -3.021 1.00 44.41 H new ATOM 0 HA THR A 44 -11.219 -11.056 -1.747 1.00 3.54 H new ATOM 0 HB THR A 44 -11.652 -13.127 -0.239 1.00 73.14 H new ATOM 0 HG1 THR A 44 -13.864 -13.079 0.560 1.00 72.04 H new ATOM 0 HG21 THR A 44 -12.491 -11.564 1.568 1.00 44.43 H new ATOM 0 HG22 THR A 44 -11.187 -10.833 0.602 1.00 44.43 H new ATOM 0 HG23 THR A 44 -12.879 -10.367 0.309 1.00 44.43 H new ATOM 687 N ASP A 45 -11.715 -13.082 -3.979 1.00 23.22 N ATOM 688 CA ASP A 45 -11.325 -14.174 -4.867 1.00 10.41 C ATOM 689 C ASP A 45 -9.923 -13.964 -5.408 1.00 2.25 C ATOM 690 O ASP A 45 -9.124 -14.901 -5.486 1.00 63.33 O ATOM 691 CB ASP A 45 -12.286 -14.207 -6.067 1.00 3.32 C ATOM 692 CG ASP A 45 -13.416 -15.233 -5.958 1.00 11.31 C ATOM 693 OD1 ASP A 45 -13.211 -16.328 -5.388 1.00 22.21 O ATOM 694 OD2 ASP A 45 -14.493 -14.990 -6.552 1.00 0.42 O ATOM 0 H ASP A 45 -12.382 -12.444 -4.413 1.00 23.22 H new ATOM 0 HA ASP A 45 -11.359 -15.103 -4.298 1.00 10.41 H new ATOM 0 HB2 ASP A 45 -12.724 -13.217 -6.190 1.00 3.32 H new ATOM 0 HB3 ASP A 45 -11.711 -14.416 -6.969 1.00 3.32 H new ATOM 699 N LEU A 46 -9.636 -12.740 -5.845 1.00 44.40 N ATOM 700 CA LEU A 46 -8.390 -12.388 -6.503 1.00 1.34 C ATOM 701 C LEU A 46 -7.379 -11.874 -5.478 1.00 3.22 C ATOM 702 O LEU A 46 -6.488 -11.096 -5.842 1.00 24.30 O ATOM 703 CB LEU A 46 -8.614 -11.382 -7.639 1.00 61.11 C ATOM 704 CG LEU A 46 -9.603 -11.821 -8.731 1.00 62.04 C ATOM 705 CD1 LEU A 46 -9.738 -10.689 -9.751 1.00 24.30 C ATOM 706 CD2 LEU A 46 -9.112 -13.078 -9.456 1.00 74.22 C ATOM 0 H LEU A 46 -10.278 -11.954 -5.748 1.00 44.40 H new ATOM 0 HA LEU A 46 -7.979 -13.287 -6.962 1.00 1.34 H new ATOM 0 HB2 LEU A 46 -8.970 -10.447 -7.207 1.00 61.11 H new ATOM 0 HB3 LEU A 46 -7.653 -11.171 -8.108 1.00 61.11 H new ATOM 0 HG LEU A 46 -10.561 -12.045 -8.261 1.00 62.04 H new ATOM 0 HD11 LEU A 46 -10.437 -10.985 -10.533 1.00 24.30 H new ATOM 0 HD12 LEU A 46 -10.109 -9.793 -9.253 1.00 24.30 H new ATOM 0 HD13 LEU A 46 -8.764 -10.481 -10.195 1.00 24.30 H new ATOM 0 HD21 LEU A 46 -9.834 -13.362 -10.222 1.00 74.22 H new ATOM 0 HD22 LEU A 46 -8.148 -12.875 -9.923 1.00 74.22 H new ATOM 0 HD23 LEU A 46 -9.004 -13.892 -8.740 1.00 74.22 H new ATOM 718 N VAL A 47 -7.563 -12.245 -4.204 1.00 45.01 N ATOM 719 CA VAL A 47 -6.642 -11.959 -3.112 1.00 24.14 C ATOM 720 C VAL A 47 -5.943 -13.266 -2.732 1.00 5.41 C ATOM 721 O VAL A 47 -6.535 -14.345 -2.808 1.00 52.22 O ATOM 722 CB VAL A 47 -7.413 -11.360 -1.916 1.00 75.42 C ATOM 723 CG1 VAL A 47 -6.469 -10.921 -0.782 1.00 51.42 C ATOM 724 CG2 VAL A 47 -8.272 -10.146 -2.280 1.00 52.34 C ATOM 0 H VAL A 47 -8.385 -12.769 -3.902 1.00 45.01 H new ATOM 0 HA VAL A 47 -5.895 -11.225 -3.415 1.00 24.14 H new ATOM 0 HB VAL A 47 -8.063 -12.173 -1.591 1.00 75.42 H new ATOM 0 HG11 VAL A 47 -7.054 -10.506 0.038 1.00 51.42 H new ATOM 0 HG12 VAL A 47 -5.904 -11.782 -0.425 1.00 51.42 H new ATOM 0 HG13 VAL A 47 -5.779 -10.164 -1.155 1.00 51.42 H new ATOM 0 HG21 VAL A 47 -8.783 -9.781 -1.389 1.00 52.34 H new ATOM 0 HG22 VAL A 47 -7.636 -9.357 -2.682 1.00 52.34 H new ATOM 0 HG23 VAL A 47 -9.010 -10.434 -3.029 1.00 52.34 H new ATOM 734 N ALA A 48 -4.687 -13.184 -2.285 1.00 21.11 N ATOM 735 CA ALA A 48 -3.971 -14.334 -1.749 1.00 63.33 C ATOM 736 C ALA A 48 -4.642 -14.834 -0.455 1.00 72.20 C ATOM 737 O ALA A 48 -5.191 -14.026 0.306 1.00 5.33 O ATOM 738 CB ALA A 48 -2.515 -13.937 -1.486 1.00 63.41 C ATOM 0 H ALA A 48 -4.144 -12.321 -2.286 1.00 21.11 H new ATOM 0 HA ALA A 48 -3.997 -15.149 -2.473 1.00 63.33 H new ATOM 0 HB1 ALA A 48 -1.972 -14.792 -1.084 1.00 63.41 H new ATOM 0 HB2 ALA A 48 -2.051 -13.618 -2.419 1.00 63.41 H new ATOM 0 HB3 ALA A 48 -2.485 -13.118 -0.767 1.00 63.41 H new ATOM 744 N PRO A 49 -4.530 -16.132 -0.120 1.00 23.42 N ATOM 745 CA PRO A 49 -5.156 -16.685 1.077 1.00 11.24 C ATOM 746 C PRO A 49 -4.517 -16.129 2.357 1.00 44.42 C ATOM 747 O PRO A 49 -5.147 -16.112 3.409 1.00 11.10 O ATOM 748 CB PRO A 49 -5.017 -18.205 0.956 1.00 5.12 C ATOM 749 CG PRO A 49 -3.797 -18.398 0.056 1.00 40.21 C ATOM 750 CD PRO A 49 -3.786 -17.157 -0.838 1.00 24.22 C ATOM 0 HA PRO A 49 -6.206 -16.403 1.150 1.00 11.24 H new ATOM 0 HB2 PRO A 49 -4.871 -18.671 1.931 1.00 5.12 H new ATOM 0 HB3 PRO A 49 -5.909 -18.653 0.519 1.00 5.12 H new ATOM 0 HG2 PRO A 49 -2.880 -18.475 0.640 1.00 40.21 H new ATOM 0 HG3 PRO A 49 -3.878 -19.312 -0.533 1.00 40.21 H new ATOM 0 HD2 PRO A 49 -2.766 -16.830 -1.037 1.00 24.22 H new ATOM 0 HD3 PRO A 49 -4.247 -17.368 -1.803 1.00 24.22 H new ATOM 758 N GLU A 50 -3.291 -15.605 2.271 1.00 14.13 N ATOM 759 CA GLU A 50 -2.606 -14.943 3.375 1.00 63.14 C ATOM 760 C GLU A 50 -3.120 -13.518 3.643 1.00 45.53 C ATOM 761 O GLU A 50 -2.627 -12.867 4.566 1.00 24.20 O ATOM 762 CB GLU A 50 -1.092 -14.970 3.117 1.00 33.54 C ATOM 763 CG GLU A 50 -0.600 -14.090 1.958 1.00 21.35 C ATOM 764 CD GLU A 50 0.876 -14.341 1.629 1.00 52.23 C ATOM 765 OE1 GLU A 50 1.642 -14.771 2.525 1.00 2.40 O ATOM 766 OE2 GLU A 50 1.305 -14.038 0.488 1.00 42.00 O ATOM 0 H GLU A 50 -2.740 -15.632 1.413 1.00 14.13 H new ATOM 0 HA GLU A 50 -2.827 -15.496 4.288 1.00 63.14 H new ATOM 0 HB2 GLU A 50 -0.581 -14.659 4.028 1.00 33.54 H new ATOM 0 HB3 GLU A 50 -0.794 -16.000 2.920 1.00 33.54 H new ATOM 0 HG2 GLU A 50 -1.206 -14.284 1.073 1.00 21.35 H new ATOM 0 HG3 GLU A 50 -0.740 -13.040 2.216 1.00 21.35 H new ATOM 773 N TRP A 51 -4.086 -13.019 2.859 1.00 71.13 N ATOM 774 CA TRP A 51 -4.683 -11.695 3.027 1.00 53.14 C ATOM 775 C TRP A 51 -6.191 -11.759 3.187 1.00 2.35 C ATOM 776 O TRP A 51 -6.703 -11.153 4.123 1.00 44.40 O ATOM 777 CB TRP A 51 -4.297 -10.758 1.879 1.00 14.03 C ATOM 778 CG TRP A 51 -3.019 -10.036 2.113 1.00 33.43 C ATOM 779 CD1 TRP A 51 -1.822 -10.440 1.652 1.00 40.21 C ATOM 780 CD2 TRP A 51 -2.784 -8.805 2.859 1.00 11.14 C ATOM 781 NE1 TRP A 51 -0.842 -9.589 2.122 1.00 43.12 N ATOM 782 CE2 TRP A 51 -1.383 -8.533 2.834 1.00 53.51 C ATOM 783 CE3 TRP A 51 -3.610 -7.890 3.553 1.00 61.14 C ATOM 784 CZ2 TRP A 51 -0.838 -7.395 3.457 1.00 33.50 C ATOM 785 CZ3 TRP A 51 -3.063 -6.751 4.177 1.00 74.54 C ATOM 786 CH2 TRP A 51 -1.684 -6.496 4.122 1.00 23.15 C ATOM 0 H TRP A 51 -4.480 -13.539 2.075 1.00 71.13 H new ATOM 0 HA TRP A 51 -4.277 -11.286 3.952 1.00 53.14 H new ATOM 0 HB2 TRP A 51 -4.216 -11.337 0.959 1.00 14.03 H new ATOM 0 HB3 TRP A 51 -5.095 -10.031 1.729 1.00 14.03 H new ATOM 0 HD1 TRP A 51 -1.654 -11.295 1.015 1.00 40.21 H new ATOM 0 HE1 TRP A 51 0.157 -9.722 1.964 1.00 43.12 H new ATOM 0 HE3 TRP A 51 -4.674 -8.067 3.605 1.00 61.14 H new ATOM 0 HZ2 TRP A 51 0.226 -7.215 3.423 1.00 33.50 H new ATOM 0 HZ3 TRP A 51 -3.712 -6.067 4.703 1.00 74.54 H new ATOM 0 HH2 TRP A 51 -1.276 -5.612 4.590 1.00 23.15 H new ATOM 797 N ARG A 52 -6.926 -12.474 2.327 1.00 45.55 N ATOM 798 CA ARG A 52 -8.383 -12.511 2.469 1.00 4.14 C ATOM 799 C ARG A 52 -8.836 -13.311 3.689 1.00 43.40 C ATOM 800 O ARG A 52 -10.036 -13.326 3.930 1.00 14.22 O ATOM 801 CB ARG A 52 -9.059 -13.046 1.200 1.00 53.25 C ATOM 802 CG ARG A 52 -8.452 -14.357 0.675 1.00 61.24 C ATOM 803 CD ARG A 52 -9.512 -15.348 0.183 1.00 43.32 C ATOM 804 NE ARG A 52 -9.529 -16.577 0.993 1.00 74.02 N ATOM 805 CZ ARG A 52 -10.074 -16.827 2.194 1.00 35.21 C ATOM 806 NH1 ARG A 52 -10.662 -15.886 2.920 1.00 15.13 N ATOM 807 NH2 ARG A 52 -10.002 -18.052 2.700 1.00 4.42 N ATOM 0 H ARG A 52 -6.550 -13.018 1.550 1.00 45.55 H new ATOM 0 HA ARG A 52 -8.697 -11.479 2.622 1.00 4.14 H new ATOM 0 HB2 ARG A 52 -10.118 -13.204 1.404 1.00 53.25 H new ATOM 0 HB3 ARG A 52 -8.994 -12.289 0.419 1.00 53.25 H new ATOM 0 HG2 ARG A 52 -7.765 -14.133 -0.141 1.00 61.24 H new ATOM 0 HG3 ARG A 52 -7.865 -14.823 1.467 1.00 61.24 H new ATOM 0 HD2 ARG A 52 -10.494 -14.876 0.217 1.00 43.32 H new ATOM 0 HD3 ARG A 52 -9.316 -15.602 -0.859 1.00 43.32 H new ATOM 0 HE ARG A 52 -9.046 -17.371 0.572 1.00 74.02 H new ATOM 0 HH11 ARG A 52 -10.713 -14.929 2.570 1.00 15.13 H new ATOM 0 HH12 ARG A 52 -11.064 -16.119 3.828 1.00 15.13 H new ATOM 0 HH21 ARG A 52 -9.536 -18.793 2.177 1.00 4.42 H new ATOM 0 HH22 ARG A 52 -10.413 -18.252 3.612 1.00 4.42 H new ATOM 821 N GLN A 53 -7.927 -13.996 4.394 1.00 41.15 N ATOM 822 CA GLN A 53 -8.187 -15.223 5.138 1.00 3.04 C ATOM 823 C GLN A 53 -9.466 -15.157 5.958 1.00 23.01 C ATOM 824 O GLN A 53 -10.329 -16.015 5.793 1.00 43.42 O ATOM 825 CB GLN A 53 -6.973 -15.559 6.022 1.00 21.34 C ATOM 826 CG GLN A 53 -6.830 -17.073 6.215 1.00 50.20 C ATOM 827 CD GLN A 53 -5.630 -17.407 7.097 1.00 31.31 C ATOM 828 OE1 GLN A 53 -5.776 -17.722 8.278 1.00 4.45 O ATOM 829 NE2 GLN A 53 -4.428 -17.336 6.547 1.00 22.11 N ATOM 0 H GLN A 53 -6.955 -13.695 4.461 1.00 41.15 H new ATOM 0 HA GLN A 53 -8.338 -16.023 4.413 1.00 3.04 H new ATOM 0 HB2 GLN A 53 -6.067 -15.161 5.566 1.00 21.34 H new ATOM 0 HB3 GLN A 53 -7.081 -15.075 6.992 1.00 21.34 H new ATOM 0 HG2 GLN A 53 -7.738 -17.472 6.666 1.00 50.20 H new ATOM 0 HG3 GLN A 53 -6.717 -17.557 5.245 1.00 50.20 H new ATOM 0 HE21 GLN A 53 -4.331 -17.073 5.566 1.00 22.11 H new ATOM 0 HE22 GLN A 53 -3.599 -17.544 7.104 1.00 22.11 H new ATOM 838 N ASP A 54 -9.580 -14.123 6.785 1.00 73.31 N ATOM 839 CA ASP A 54 -10.659 -13.906 7.735 1.00 5.13 C ATOM 840 C ASP A 54 -10.964 -12.401 7.755 1.00 54.03 C ATOM 841 O ASP A 54 -11.287 -11.813 8.785 1.00 32.41 O ATOM 842 CB ASP A 54 -10.187 -14.438 9.092 1.00 11.14 C ATOM 843 CG ASP A 54 -11.338 -14.891 9.984 1.00 10.43 C ATOM 844 OD1 ASP A 54 -11.968 -15.919 9.647 1.00 42.40 O ATOM 845 OD2 ASP A 54 -11.511 -14.320 11.079 1.00 13.02 O ATOM 0 H ASP A 54 -8.885 -13.377 6.810 1.00 73.31 H new ATOM 0 HA ASP A 54 -11.578 -14.428 7.470 1.00 5.13 H new ATOM 0 HB2 ASP A 54 -9.507 -15.275 8.932 1.00 11.14 H new ATOM 0 HB3 ASP A 54 -9.621 -13.660 9.605 1.00 11.14 H new ATOM 850 N TYR A 55 -10.717 -11.758 6.608 1.00 1.52 N ATOM 851 CA TYR A 55 -10.666 -10.322 6.377 1.00 54.11 C ATOM 852 C TYR A 55 -11.915 -9.949 5.570 1.00 34.15 C ATOM 853 O TYR A 55 -11.876 -10.034 4.335 1.00 4.35 O ATOM 854 CB TYR A 55 -9.365 -9.883 5.665 1.00 11.21 C ATOM 855 CG TYR A 55 -8.163 -9.640 6.571 1.00 12.42 C ATOM 856 CD1 TYR A 55 -7.803 -10.597 7.540 1.00 61.13 C ATOM 857 CD2 TYR A 55 -7.417 -8.441 6.473 1.00 50.44 C ATOM 858 CE1 TYR A 55 -6.761 -10.347 8.441 1.00 41.14 C ATOM 859 CE2 TYR A 55 -6.379 -8.175 7.388 1.00 51.45 C ATOM 860 CZ TYR A 55 -6.071 -9.122 8.389 1.00 13.22 C ATOM 861 OH TYR A 55 -5.098 -8.868 9.299 1.00 60.10 O ATOM 0 H TYR A 55 -10.533 -12.278 5.750 1.00 1.52 H new ATOM 0 HA TYR A 55 -10.656 -9.793 7.330 1.00 54.11 H new ATOM 0 HB2 TYR A 55 -9.097 -10.647 4.935 1.00 11.21 H new ATOM 0 HB3 TYR A 55 -9.568 -8.968 5.109 1.00 11.21 H new ATOM 0 HD1 TYR A 55 -8.337 -11.534 7.588 1.00 61.13 H new ATOM 0 HD2 TYR A 55 -7.644 -7.728 5.694 1.00 50.44 H new ATOM 0 HE1 TYR A 55 -6.488 -11.092 9.174 1.00 41.14 H new ATOM 0 HE2 TYR A 55 -5.822 -7.252 7.324 1.00 51.45 H new ATOM 0 HH TYR A 55 -4.715 -7.982 9.130 1.00 60.10 H new ATOM 871 N PRO A 56 -13.064 -9.678 6.215 1.00 63.32 N ATOM 872 CA PRO A 56 -14.273 -9.269 5.513 1.00 41.32 C ATOM 873 C PRO A 56 -14.149 -7.866 4.896 1.00 51.02 C ATOM 874 O PRO A 56 -14.863 -7.542 3.945 1.00 60.44 O ATOM 875 CB PRO A 56 -15.386 -9.331 6.565 1.00 22.01 C ATOM 876 CG PRO A 56 -14.657 -9.087 7.885 1.00 34.43 C ATOM 877 CD PRO A 56 -13.299 -9.744 7.650 1.00 70.03 C ATOM 0 HA PRO A 56 -14.477 -9.923 4.665 1.00 41.32 H new ATOM 0 HB2 PRO A 56 -16.149 -8.574 6.384 1.00 22.01 H new ATOM 0 HB3 PRO A 56 -15.888 -10.298 6.559 1.00 22.01 H new ATOM 0 HG2 PRO A 56 -14.559 -8.023 8.102 1.00 34.43 H new ATOM 0 HG3 PRO A 56 -15.183 -9.537 8.727 1.00 34.43 H new ATOM 0 HD2 PRO A 56 -12.514 -9.224 8.198 1.00 70.03 H new ATOM 0 HD3 PRO A 56 -13.300 -10.777 7.998 1.00 70.03 H new ATOM 885 N GLU A 57 -13.246 -7.034 5.418 1.00 30.31 N ATOM 886 CA GLU A 57 -13.225 -5.579 5.249 1.00 42.22 C ATOM 887 C GLU A 57 -11.799 -5.117 4.941 1.00 10.04 C ATOM 888 O GLU A 57 -10.856 -5.892 5.148 1.00 33.44 O ATOM 889 CB GLU A 57 -13.716 -4.921 6.549 1.00 33.54 C ATOM 890 CG GLU A 57 -15.227 -5.098 6.718 1.00 12.14 C ATOM 891 CD GLU A 57 -15.756 -4.576 8.058 1.00 12.54 C ATOM 892 OE1 GLU A 57 -15.013 -4.527 9.069 1.00 10.33 O ATOM 893 OE2 GLU A 57 -16.995 -4.421 8.169 1.00 63.14 O ATOM 0 H GLU A 57 -12.475 -7.370 5.995 1.00 30.31 H new ATOM 0 HA GLU A 57 -13.876 -5.293 4.423 1.00 42.22 H new ATOM 0 HB2 GLU A 57 -13.197 -5.360 7.401 1.00 33.54 H new ATOM 0 HB3 GLU A 57 -13.470 -3.859 6.539 1.00 33.54 H new ATOM 0 HG2 GLU A 57 -15.739 -4.579 5.907 1.00 12.14 H new ATOM 0 HG3 GLU A 57 -15.474 -6.156 6.626 1.00 12.14 H new ATOM 900 N PRO A 58 -11.598 -3.889 4.440 1.00 54.14 N ATOM 901 CA PRO A 58 -10.254 -3.449 4.146 1.00 72.44 C ATOM 902 C PRO A 58 -9.444 -3.291 5.438 1.00 75.21 C ATOM 903 O PRO A 58 -9.995 -3.014 6.511 1.00 74.11 O ATOM 904 CB PRO A 58 -10.370 -2.122 3.403 1.00 12.42 C ATOM 905 CG PRO A 58 -11.828 -1.693 3.539 1.00 52.43 C ATOM 906 CD PRO A 58 -12.585 -2.967 3.909 1.00 30.25 C ATOM 0 HA PRO A 58 -9.730 -4.182 3.533 1.00 72.44 H new ATOM 0 HB2 PRO A 58 -9.701 -1.375 3.831 1.00 12.42 H new ATOM 0 HB3 PRO A 58 -10.092 -2.235 2.355 1.00 12.42 H new ATOM 0 HG2 PRO A 58 -11.944 -0.928 4.307 1.00 52.43 H new ATOM 0 HG3 PRO A 58 -12.202 -1.268 2.608 1.00 52.43 H new ATOM 0 HD2 PRO A 58 -13.359 -2.758 4.648 1.00 30.25 H new ATOM 0 HD3 PRO A 58 -13.083 -3.391 3.037 1.00 30.25 H new ATOM 914 N PRO A 59 -8.117 -3.417 5.340 1.00 45.14 N ATOM 915 CA PRO A 59 -7.199 -3.001 6.373 1.00 40.45 C ATOM 916 C PRO A 59 -7.119 -1.475 6.403 1.00 43.10 C ATOM 917 O PRO A 59 -6.770 -0.844 5.401 1.00 62.05 O ATOM 918 CB PRO A 59 -5.871 -3.663 6.042 1.00 0.43 C ATOM 919 CG PRO A 59 -5.948 -4.002 4.555 1.00 74.22 C ATOM 920 CD PRO A 59 -7.425 -3.988 4.205 1.00 71.12 C ATOM 0 HA PRO A 59 -7.516 -3.301 7.372 1.00 40.45 H new ATOM 0 HB2 PRO A 59 -5.036 -2.994 6.250 1.00 0.43 H new ATOM 0 HB3 PRO A 59 -5.718 -4.560 6.642 1.00 0.43 H new ATOM 0 HG2 PRO A 59 -5.398 -3.274 3.959 1.00 74.22 H new ATOM 0 HG3 PRO A 59 -5.507 -4.978 4.353 1.00 74.22 H new ATOM 0 HD2 PRO A 59 -7.604 -3.398 3.306 1.00 71.12 H new ATOM 0 HD3 PRO A 59 -7.784 -4.997 4.001 1.00 71.12 H new ATOM 928 N ASP A 60 -7.445 -0.884 7.551 1.00 44.20 N ATOM 929 CA ASP A 60 -7.279 0.543 7.798 1.00 22.15 C ATOM 930 C ASP A 60 -5.826 0.816 8.205 1.00 22.11 C ATOM 931 O ASP A 60 -5.324 0.160 9.128 1.00 42.35 O ATOM 932 CB ASP A 60 -8.247 0.990 8.904 1.00 63.21 C ATOM 933 CG ASP A 60 -8.401 2.493 8.885 1.00 42.05 C ATOM 934 OD1 ASP A 60 -7.436 3.198 9.263 1.00 12.12 O ATOM 935 OD2 ASP A 60 -9.408 2.994 8.340 1.00 64.44 O ATOM 0 H ASP A 60 -7.837 -1.391 8.345 1.00 44.20 H new ATOM 0 HA ASP A 60 -7.505 1.108 6.894 1.00 22.15 H new ATOM 0 HB2 ASP A 60 -9.218 0.516 8.761 1.00 63.21 H new ATOM 0 HB3 ASP A 60 -7.874 0.667 9.876 1.00 63.21 H new ATOM 940 N PHE A 61 -5.128 1.740 7.526 1.00 21.24 N ATOM 941 CA PHE A 61 -3.753 2.116 7.876 1.00 35.02 C ATOM 942 C PHE A 61 -3.592 3.566 8.349 1.00 52.22 C ATOM 943 O PHE A 61 -2.500 3.925 8.801 1.00 12.53 O ATOM 944 CB PHE A 61 -2.819 1.878 6.695 1.00 63.35 C ATOM 945 CG PHE A 61 -2.755 0.440 6.245 1.00 74.43 C ATOM 946 CD1 PHE A 61 -3.702 -0.029 5.327 1.00 51.25 C ATOM 947 CD2 PHE A 61 -1.724 -0.411 6.676 1.00 10.25 C ATOM 948 CE1 PHE A 61 -3.583 -1.308 4.784 1.00 2.51 C ATOM 949 CE2 PHE A 61 -1.669 -1.734 6.207 1.00 3.31 C ATOM 950 CZ PHE A 61 -2.583 -2.180 5.237 1.00 24.44 C ATOM 0 H PHE A 61 -5.501 2.245 6.722 1.00 21.24 H new ATOM 0 HA PHE A 61 -3.491 1.478 8.720 1.00 35.02 H new ATOM 0 HB2 PHE A 61 -3.143 2.496 5.858 1.00 63.35 H new ATOM 0 HB3 PHE A 61 -1.816 2.209 6.965 1.00 63.35 H new ATOM 0 HD1 PHE A 61 -4.529 0.603 5.038 1.00 51.25 H new ATOM 0 HD2 PHE A 61 -0.976 -0.049 7.366 1.00 10.25 H new ATOM 0 HE1 PHE A 61 -4.265 -1.629 4.010 1.00 2.51 H new ATOM 0 HE2 PHE A 61 -0.921 -2.411 6.593 1.00 3.31 H new ATOM 0 HZ PHE A 61 -2.516 -3.184 4.845 1.00 24.44 H new ATOM 960 N ILE A 62 -4.609 4.424 8.217 1.00 42.42 N ATOM 961 CA ILE A 62 -4.535 5.796 8.711 1.00 42.45 C ATOM 962 C ILE A 62 -4.868 5.767 10.204 1.00 15.55 C ATOM 963 O ILE A 62 -4.029 6.130 11.028 1.00 13.43 O ATOM 964 CB ILE A 62 -5.388 6.785 7.874 1.00 51.11 C ATOM 965 CG1 ILE A 62 -4.811 6.982 6.453 1.00 11.10 C ATOM 966 CG2 ILE A 62 -5.406 8.191 8.509 1.00 73.30 C ATOM 967 CD1 ILE A 62 -5.079 5.901 5.401 1.00 21.02 C ATOM 0 H ILE A 62 -5.495 4.188 7.770 1.00 42.42 H new ATOM 0 HA ILE A 62 -3.527 6.192 8.590 1.00 42.45 H new ATOM 0 HB ILE A 62 -6.385 6.346 7.839 1.00 51.11 H new ATOM 0 HG12 ILE A 62 -5.197 7.925 6.066 1.00 11.10 H new ATOM 0 HG13 ILE A 62 -3.731 7.094 6.546 1.00 11.10 H new ATOM 0 HG21 ILE A 62 -6.012 8.859 7.897 1.00 73.30 H new ATOM 0 HG22 ILE A 62 -5.830 8.132 9.511 1.00 73.30 H new ATOM 0 HG23 ILE A 62 -4.388 8.577 8.568 1.00 73.30 H new ATOM 0 HD11 ILE A 62 -4.609 6.185 4.459 1.00 21.02 H new ATOM 0 HD12 ILE A 62 -4.665 4.952 5.741 1.00 21.02 H new ATOM 0 HD13 ILE A 62 -6.154 5.796 5.253 1.00 21.02 H new ATOM 979 N ALA A 63 -6.072 5.313 10.558 1.00 72.53 N ATOM 980 CA ALA A 63 -6.514 5.223 11.940 1.00 35.22 C ATOM 981 C ALA A 63 -5.746 4.104 12.637 1.00 64.54 C ATOM 982 O ALA A 63 -5.073 4.317 13.646 1.00 52.11 O ATOM 983 CB ALA A 63 -8.025 4.945 11.979 1.00 53.41 C ATOM 0 H ALA A 63 -6.769 4.996 9.884 1.00 72.53 H new ATOM 0 HA ALA A 63 -6.320 6.163 12.457 1.00 35.22 H new ATOM 0 HB1 ALA A 63 -8.356 4.878 13.015 1.00 53.41 H new ATOM 0 HB2 ALA A 63 -8.557 5.755 11.480 1.00 53.41 H new ATOM 0 HB3 ALA A 63 -8.235 4.005 11.469 1.00 53.41 H new ATOM 989 N SER A 64 -5.854 2.897 12.088 1.00 71.10 N ATOM 990 CA SER A 64 -5.337 1.679 12.684 1.00 22.21 C ATOM 991 C SER A 64 -3.944 1.380 12.125 1.00 14.31 C ATOM 992 O SER A 64 -3.580 1.876 11.057 1.00 31.13 O ATOM 993 CB SER A 64 -6.360 0.572 12.383 1.00 74.32 C ATOM 994 OG SER A 64 -6.610 -0.233 13.514 1.00 1.44 O ATOM 0 H SER A 64 -6.317 2.740 11.193 1.00 71.10 H new ATOM 0 HA SER A 64 -5.213 1.764 13.764 1.00 22.21 H new ATOM 0 HB2 SER A 64 -7.293 1.022 12.044 1.00 74.32 H new ATOM 0 HB3 SER A 64 -5.992 -0.051 11.568 1.00 74.32 H new ATOM 0 HG SER A 64 -7.266 -0.924 13.285 1.00 1.44 H new ATOM 1000 N ARG A 65 -3.140 0.559 12.812 1.00 11.20 N ATOM 1001 CA ARG A 65 -1.982 -0.077 12.182 1.00 12.43 C ATOM 1002 C ARG A 65 -1.794 -1.550 12.575 1.00 43.34 C ATOM 1003 O ARG A 65 -0.651 -2.001 12.663 1.00 20.13 O ATOM 1004 CB ARG A 65 -0.742 0.787 12.524 1.00 43.04 C ATOM 1005 CG ARG A 65 -0.423 1.046 14.013 1.00 65.35 C ATOM 1006 CD ARG A 65 0.214 -0.142 14.745 1.00 33.42 C ATOM 1007 NE ARG A 65 0.550 0.196 16.135 1.00 12.52 N ATOM 1008 CZ ARG A 65 1.770 0.317 16.673 1.00 12.24 C ATOM 1009 NH1 ARG A 65 2.875 0.173 15.951 1.00 60.05 N ATOM 1010 NH2 ARG A 65 1.873 0.585 17.966 1.00 61.34 N ATOM 0 H ARG A 65 -3.270 0.322 13.796 1.00 11.20 H new ATOM 0 HA ARG A 65 -2.138 -0.116 11.104 1.00 12.43 H new ATOM 0 HB2 ARG A 65 0.130 0.312 12.074 1.00 43.04 H new ATOM 0 HB3 ARG A 65 -0.865 1.754 12.036 1.00 43.04 H new ATOM 0 HG2 ARG A 65 0.248 1.902 14.084 1.00 65.35 H new ATOM 0 HG3 ARG A 65 -1.345 1.320 14.526 1.00 65.35 H new ATOM 0 HD2 ARG A 65 -0.472 -0.989 14.732 1.00 33.42 H new ATOM 0 HD3 ARG A 65 1.116 -0.454 14.218 1.00 33.42 H new ATOM 0 HE ARG A 65 -0.238 0.357 16.763 1.00 12.52 H new ATOM 0 HH11 ARG A 65 2.810 -0.036 14.955 1.00 60.05 H new ATOM 0 HH12 ARG A 65 3.789 0.272 16.393 1.00 60.05 H new ATOM 0 HH21 ARG A 65 1.032 0.695 18.533 1.00 61.34 H new ATOM 0 HH22 ARG A 65 2.793 0.681 18.395 1.00 61.34 H new ATOM 1024 N PRO A 66 -2.818 -2.416 12.499 1.00 3.42 N ATOM 1025 CA PRO A 66 -2.620 -3.833 12.745 1.00 3.40 C ATOM 1026 C PRO A 66 -2.061 -4.496 11.487 1.00 11.01 C ATOM 1027 O PRO A 66 -1.042 -5.192 11.549 1.00 74.54 O ATOM 1028 CB PRO A 66 -3.983 -4.376 13.166 1.00 1.55 C ATOM 1029 CG PRO A 66 -4.966 -3.447 12.466 1.00 4.34 C ATOM 1030 CD PRO A 66 -4.234 -2.115 12.413 1.00 15.03 C ATOM 0 HA PRO A 66 -1.893 -4.037 13.531 1.00 3.40 H new ATOM 0 HB2 PRO A 66 -4.117 -5.412 12.853 1.00 1.55 H new ATOM 0 HB3 PRO A 66 -4.108 -4.351 14.248 1.00 1.55 H new ATOM 0 HG2 PRO A 66 -5.214 -3.807 11.467 1.00 4.34 H new ATOM 0 HG3 PRO A 66 -5.903 -3.367 13.018 1.00 4.34 H new ATOM 0 HD2 PRO A 66 -4.462 -1.584 11.488 1.00 15.03 H new ATOM 0 HD3 PRO A 66 -4.544 -1.470 13.235 1.00 15.03 H new ATOM 1038 N ALA A 67 -2.670 -4.223 10.331 1.00 33.02 N ATOM 1039 CA ALA A 67 -2.265 -4.764 9.042 1.00 55.42 C ATOM 1040 C ALA A 67 -0.914 -4.205 8.583 1.00 30.10 C ATOM 1041 O ALA A 67 -0.342 -4.706 7.621 1.00 23.33 O ATOM 1042 CB ALA A 67 -3.336 -4.471 7.997 1.00 20.11 C ATOM 0 H ALA A 67 -3.478 -3.604 10.269 1.00 33.02 H new ATOM 0 HA ALA A 67 -2.150 -5.842 9.157 1.00 55.42 H new ATOM 0 HB1 ALA A 67 -3.026 -4.879 7.035 1.00 20.11 H new ATOM 0 HB2 ALA A 67 -4.276 -4.931 8.301 1.00 20.11 H new ATOM 0 HB3 ALA A 67 -3.472 -3.393 7.908 1.00 20.11 H new ATOM 1048 N THR A 68 -0.356 -3.202 9.260 1.00 12.25 N ATOM 1049 CA THR A 68 1.003 -2.741 9.000 1.00 30.45 C ATOM 1050 C THR A 68 2.012 -3.882 9.231 1.00 21.43 C ATOM 1051 O THR A 68 2.968 -4.040 8.463 1.00 31.33 O ATOM 1052 CB THR A 68 1.261 -1.492 9.854 1.00 70.32 C ATOM 1053 OG1 THR A 68 0.314 -0.494 9.497 1.00 23.13 O ATOM 1054 CG2 THR A 68 2.658 -0.929 9.616 1.00 73.04 C ATOM 0 H THR A 68 -0.833 -2.689 10.001 1.00 12.25 H new ATOM 0 HA THR A 68 1.131 -2.454 7.956 1.00 30.45 H new ATOM 0 HB THR A 68 1.172 -1.773 10.903 1.00 70.32 H new ATOM 0 HG1 THR A 68 0.562 0.357 9.916 1.00 23.13 H new ATOM 0 HG21 THR A 68 2.805 -0.046 10.237 1.00 73.04 H new ATOM 0 HG22 THR A 68 3.403 -1.682 9.874 1.00 73.04 H new ATOM 0 HG23 THR A 68 2.766 -0.656 8.566 1.00 73.04 H new ATOM 1062 N VAL A 69 1.754 -4.753 10.210 1.00 75.43 N ATOM 1063 CA VAL A 69 2.526 -5.970 10.426 1.00 60.42 C ATOM 1064 C VAL A 69 2.387 -6.878 9.191 1.00 61.41 C ATOM 1065 O VAL A 69 3.374 -7.450 8.729 1.00 73.23 O ATOM 1066 CB VAL A 69 2.028 -6.645 11.724 1.00 30.44 C ATOM 1067 CG1 VAL A 69 2.828 -7.909 12.070 1.00 64.12 C ATOM 1068 CG2 VAL A 69 2.103 -5.684 12.927 1.00 35.24 C ATOM 0 H VAL A 69 0.995 -4.628 10.879 1.00 75.43 H new ATOM 0 HA VAL A 69 3.587 -5.754 10.551 1.00 60.42 H new ATOM 0 HB VAL A 69 0.991 -6.920 11.531 1.00 30.44 H new ATOM 0 HG11 VAL A 69 2.439 -8.345 12.990 1.00 64.12 H new ATOM 0 HG12 VAL A 69 2.736 -8.631 11.259 1.00 64.12 H new ATOM 0 HG13 VAL A 69 3.878 -7.649 12.207 1.00 64.12 H new ATOM 0 HG21 VAL A 69 1.745 -6.193 13.822 1.00 35.24 H new ATOM 0 HG22 VAL A 69 3.136 -5.369 13.077 1.00 35.24 H new ATOM 0 HG23 VAL A 69 1.482 -4.810 12.734 1.00 35.24 H new ATOM 1078 N LYS A 70 1.173 -6.983 8.641 1.00 52.24 N ATOM 1079 CA LYS A 70 0.826 -7.811 7.489 1.00 35.02 C ATOM 1080 C LYS A 70 1.564 -7.346 6.231 1.00 22.34 C ATOM 1081 O LYS A 70 2.168 -8.177 5.556 1.00 43.25 O ATOM 1082 CB LYS A 70 -0.706 -7.813 7.329 1.00 1.21 C ATOM 1083 CG LYS A 70 -1.266 -9.064 6.643 1.00 31.11 C ATOM 1084 CD LYS A 70 -2.796 -9.095 6.823 1.00 23.10 C ATOM 1085 CE LYS A 70 -3.456 -10.444 6.531 1.00 23.04 C ATOM 1086 NZ LYS A 70 -3.157 -11.439 7.581 1.00 60.44 N ATOM 0 H LYS A 70 0.371 -6.468 9.006 1.00 52.24 H new ATOM 0 HA LYS A 70 1.151 -8.839 7.651 1.00 35.02 H new ATOM 0 HB2 LYS A 70 -1.163 -7.718 8.314 1.00 1.21 H new ATOM 0 HB3 LYS A 70 -1.001 -6.935 6.755 1.00 1.21 H new ATOM 0 HG2 LYS A 70 -1.012 -9.057 5.583 1.00 31.11 H new ATOM 0 HG3 LYS A 70 -0.819 -9.960 7.072 1.00 31.11 H new ATOM 0 HD2 LYS A 70 -3.032 -8.807 7.847 1.00 23.10 H new ATOM 0 HD3 LYS A 70 -3.239 -8.343 6.170 1.00 23.10 H new ATOM 0 HE2 LYS A 70 -4.535 -10.311 6.452 1.00 23.04 H new ATOM 0 HE3 LYS A 70 -3.110 -10.817 5.567 1.00 23.04 H new ATOM 0 HZ1 LYS A 70 -3.621 -12.340 7.348 1.00 60.44 H new ATOM 0 HZ2 LYS A 70 -2.129 -11.584 7.639 1.00 60.44 H new ATOM 0 HZ3 LYS A 70 -3.510 -11.094 8.497 1.00 60.44 H new ATOM 1100 N LEU A 71 1.606 -6.032 5.959 1.00 40.10 N ATOM 1101 CA LEU A 71 2.410 -5.474 4.862 1.00 31.24 C ATOM 1102 C LEU A 71 3.855 -5.918 5.020 1.00 3.13 C ATOM 1103 O LEU A 71 4.486 -6.353 4.064 1.00 30.30 O ATOM 1104 CB LEU A 71 2.440 -3.932 4.836 1.00 62.21 C ATOM 1105 CG LEU A 71 1.120 -3.217 4.549 1.00 14.14 C ATOM 1106 CD1 LEU A 71 1.309 -1.722 4.850 1.00 65.10 C ATOM 1107 CD2 LEU A 71 0.584 -3.348 3.129 1.00 43.15 C ATOM 0 H LEU A 71 1.088 -5.332 6.489 1.00 40.10 H new ATOM 0 HA LEU A 71 1.944 -5.835 3.945 1.00 31.24 H new ATOM 0 HB2 LEU A 71 2.811 -3.584 5.800 1.00 62.21 H new ATOM 0 HB3 LEU A 71 3.165 -3.620 4.084 1.00 62.21 H new ATOM 0 HG LEU A 71 0.382 -3.704 5.186 1.00 14.14 H new ATOM 0 HD11 LEU A 71 0.378 -1.190 4.652 1.00 65.10 H new ATOM 0 HD12 LEU A 71 1.585 -1.594 5.897 1.00 65.10 H new ATOM 0 HD13 LEU A 71 2.098 -1.320 4.215 1.00 65.10 H new ATOM 0 HD21 LEU A 71 -0.355 -2.801 3.043 1.00 43.15 H new ATOM 0 HD22 LEU A 71 1.309 -2.937 2.427 1.00 43.15 H new ATOM 0 HD23 LEU A 71 0.414 -4.400 2.900 1.00 43.15 H new ATOM 1119 N THR A 72 4.393 -5.775 6.231 1.00 64.31 N ATOM 1120 CA THR A 72 5.811 -5.946 6.491 1.00 51.23 C ATOM 1121 C THR A 72 6.271 -7.359 6.108 1.00 3.14 C ATOM 1122 O THR A 72 7.393 -7.532 5.639 1.00 70.14 O ATOM 1123 CB THR A 72 6.051 -5.589 7.963 1.00 51.32 C ATOM 1124 OG1 THR A 72 5.652 -4.246 8.206 1.00 12.04 O ATOM 1125 CG2 THR A 72 7.503 -5.790 8.364 1.00 51.23 C ATOM 0 H THR A 72 3.849 -5.536 7.060 1.00 64.31 H new ATOM 0 HA THR A 72 6.416 -5.283 5.873 1.00 51.23 H new ATOM 0 HB THR A 72 5.449 -6.262 8.573 1.00 51.32 H new ATOM 0 HG1 THR A 72 4.692 -4.220 8.403 1.00 12.04 H new ATOM 0 HG21 THR A 72 7.630 -5.526 9.414 1.00 51.23 H new ATOM 0 HG22 THR A 72 7.780 -6.834 8.216 1.00 51.23 H new ATOM 0 HG23 THR A 72 8.141 -5.155 7.750 1.00 51.23 H new ATOM 1133 N ARG A 73 5.387 -8.349 6.236 1.00 33.11 N ATOM 1134 CA ARG A 73 5.640 -9.734 5.848 1.00 33.01 C ATOM 1135 C ARG A 73 6.013 -9.911 4.371 1.00 24.21 C ATOM 1136 O ARG A 73 6.671 -10.892 4.031 1.00 14.01 O ATOM 1137 CB ARG A 73 4.423 -10.601 6.165 1.00 63.11 C ATOM 1138 CG ARG A 73 4.021 -10.500 7.647 1.00 23.41 C ATOM 1139 CD ARG A 73 3.584 -11.843 8.216 1.00 24.13 C ATOM 1140 NE ARG A 73 4.740 -12.730 8.419 1.00 52.33 N ATOM 1141 CZ ARG A 73 4.939 -13.923 7.849 1.00 1.14 C ATOM 1142 NH1 ARG A 73 4.039 -14.484 7.053 1.00 41.35 N ATOM 1143 NH2 ARG A 73 6.069 -14.574 8.064 1.00 52.42 N ATOM 0 H ARG A 73 4.454 -8.205 6.622 1.00 33.11 H new ATOM 0 HA ARG A 73 6.505 -10.050 6.431 1.00 33.01 H new ATOM 0 HB2 ARG A 73 3.585 -10.294 5.539 1.00 63.11 H new ATOM 0 HB3 ARG A 73 4.642 -11.640 5.918 1.00 63.11 H new ATOM 0 HG2 ARG A 73 4.863 -10.119 8.225 1.00 23.41 H new ATOM 0 HG3 ARG A 73 3.209 -9.780 7.754 1.00 23.41 H new ATOM 0 HD2 ARG A 73 3.068 -11.690 9.164 1.00 24.13 H new ATOM 0 HD3 ARG A 73 2.873 -12.315 7.538 1.00 24.13 H new ATOM 0 HE ARG A 73 5.463 -12.402 9.059 1.00 52.33 H new ATOM 0 HH11 ARG A 73 3.160 -14.004 6.858 1.00 41.35 H new ATOM 0 HH12 ARG A 73 4.225 -15.396 6.635 1.00 41.35 H new ATOM 0 HH21 ARG A 73 6.786 -14.166 8.663 1.00 52.42 H new ATOM 0 HH22 ARG A 73 6.224 -15.484 7.631 1.00 52.42 H new ATOM 1157 N SER A 74 5.583 -9.003 3.497 1.00 20.42 N ATOM 1158 CA SER A 74 5.930 -8.982 2.075 1.00 31.14 C ATOM 1159 C SER A 74 7.149 -8.104 1.765 1.00 61.00 C ATOM 1160 O SER A 74 7.545 -8.000 0.606 1.00 43.13 O ATOM 1161 CB SER A 74 4.704 -8.553 1.264 1.00 2.23 C ATOM 1162 OG SER A 74 3.819 -9.653 1.201 1.00 45.33 O ATOM 0 H SER A 74 4.965 -8.238 3.766 1.00 20.42 H new ATOM 0 HA SER A 74 6.223 -9.992 1.786 1.00 31.14 H new ATOM 0 HB2 SER A 74 4.217 -7.698 1.732 1.00 2.23 H new ATOM 0 HB3 SER A 74 4.999 -8.243 0.262 1.00 2.23 H new ATOM 0 HG SER A 74 3.023 -9.403 0.687 1.00 45.33 H new ATOM 1168 N ILE A 75 7.772 -7.496 2.778 1.00 10.31 N ATOM 1169 CA ILE A 75 8.940 -6.632 2.646 1.00 65.32 C ATOM 1170 C ILE A 75 10.171 -7.393 3.189 1.00 15.01 C ATOM 1171 O ILE A 75 10.477 -7.284 4.381 1.00 52.12 O ATOM 1172 CB ILE A 75 8.680 -5.259 3.316 1.00 24.43 C ATOM 1173 CG1 ILE A 75 7.353 -4.625 2.820 1.00 33.25 C ATOM 1174 CG2 ILE A 75 9.866 -4.326 3.021 1.00 0.42 C ATOM 1175 CD1 ILE A 75 6.999 -3.296 3.495 1.00 73.44 C ATOM 0 H ILE A 75 7.463 -7.598 3.745 1.00 10.31 H new ATOM 0 HA ILE A 75 9.145 -6.395 1.602 1.00 65.32 H new ATOM 0 HB ILE A 75 8.584 -5.406 4.392 1.00 24.43 H new ATOM 0 HG12 ILE A 75 7.420 -4.466 1.744 1.00 33.25 H new ATOM 0 HG13 ILE A 75 6.541 -5.332 2.988 1.00 33.25 H new ATOM 0 HG21 ILE A 75 9.692 -3.357 3.489 1.00 0.42 H new ATOM 0 HG22 ILE A 75 10.781 -4.763 3.421 1.00 0.42 H new ATOM 0 HG23 ILE A 75 9.967 -4.196 1.944 1.00 0.42 H new ATOM 0 HD11 ILE A 75 6.058 -2.922 3.091 1.00 73.44 H new ATOM 0 HD12 ILE A 75 6.897 -3.449 4.569 1.00 73.44 H new ATOM 0 HD13 ILE A 75 7.790 -2.570 3.306 1.00 73.44 H new ATOM 1187 N PRO A 76 10.852 -8.227 2.384 1.00 63.05 N ATOM 1188 CA PRO A 76 12.129 -8.845 2.744 1.00 30.13 C ATOM 1189 C PRO A 76 13.259 -7.798 2.783 1.00 1.11 C ATOM 1190 O PRO A 76 13.072 -6.651 2.370 1.00 61.43 O ATOM 1191 CB PRO A 76 12.353 -9.897 1.648 1.00 34.23 C ATOM 1192 CG PRO A 76 11.766 -9.221 0.426 1.00 12.02 C ATOM 1193 CD PRO A 76 10.500 -8.613 1.025 1.00 35.45 C ATOM 0 HA PRO A 76 12.122 -9.289 3.740 1.00 30.13 H new ATOM 0 HB2 PRO A 76 13.410 -10.128 1.516 1.00 34.23 H new ATOM 0 HB3 PRO A 76 11.847 -10.835 1.876 1.00 34.23 H new ATOM 0 HG2 PRO A 76 12.432 -8.465 0.010 1.00 12.02 H new ATOM 0 HG3 PRO A 76 11.548 -9.928 -0.374 1.00 12.02 H new ATOM 0 HD2 PRO A 76 10.169 -7.751 0.447 1.00 35.45 H new ATOM 0 HD3 PRO A 76 9.681 -9.332 1.022 1.00 35.45 H new ATOM 1201 N ALA A 77 14.447 -8.200 3.249 1.00 31.41 N ATOM 1202 CA ALA A 77 15.666 -7.393 3.316 1.00 63.04 C ATOM 1203 C ALA A 77 15.993 -6.717 1.971 1.00 71.23 C ATOM 1204 O ALA A 77 16.155 -5.495 1.959 1.00 61.01 O ATOM 1205 CB ALA A 77 16.844 -8.215 3.857 1.00 50.12 C ATOM 0 H ALA A 77 14.589 -9.145 3.607 1.00 31.41 H new ATOM 0 HA ALA A 77 15.483 -6.584 4.023 1.00 63.04 H new ATOM 0 HB1 ALA A 77 17.736 -7.590 3.896 1.00 50.12 H new ATOM 0 HB2 ALA A 77 16.608 -8.573 4.859 1.00 50.12 H new ATOM 0 HB3 ALA A 77 17.025 -9.066 3.201 1.00 50.12 H new ATOM 1211 N PRO A 78 16.026 -7.447 0.834 1.00 24.24 N ATOM 1212 CA PRO A 78 16.242 -6.870 -0.495 1.00 62.31 C ATOM 1213 C PRO A 78 15.211 -5.818 -0.933 1.00 64.24 C ATOM 1214 O PRO A 78 15.456 -5.138 -1.926 1.00 45.25 O ATOM 1215 CB PRO A 78 16.290 -8.057 -1.474 1.00 2.13 C ATOM 1216 CG PRO A 78 15.600 -9.184 -0.711 1.00 32.11 C ATOM 1217 CD PRO A 78 16.042 -8.899 0.711 1.00 42.34 C ATOM 0 HA PRO A 78 17.172 -6.302 -0.479 1.00 62.31 H new ATOM 0 HB2 PRO A 78 15.772 -7.829 -2.406 1.00 2.13 H new ATOM 0 HB3 PRO A 78 17.315 -8.319 -1.735 1.00 2.13 H new ATOM 0 HG2 PRO A 78 14.516 -9.149 -0.819 1.00 32.11 H new ATOM 0 HG3 PRO A 78 15.922 -10.168 -1.052 1.00 32.11 H new ATOM 0 HD2 PRO A 78 15.369 -9.362 1.433 1.00 42.34 H new ATOM 0 HD3 PRO A 78 17.038 -9.299 0.901 1.00 42.34 H new ATOM 1225 N TYR A 79 14.086 -5.646 -0.228 1.00 72.00 N ATOM 1226 CA TYR A 79 13.006 -4.733 -0.609 1.00 43.43 C ATOM 1227 C TYR A 79 12.718 -3.697 0.482 1.00 54.20 C ATOM 1228 O TYR A 79 11.679 -3.032 0.470 1.00 11.41 O ATOM 1229 CB TYR A 79 11.768 -5.551 -1.017 1.00 31.31 C ATOM 1230 CG TYR A 79 11.964 -6.441 -2.237 1.00 71.32 C ATOM 1231 CD1 TYR A 79 12.824 -6.015 -3.262 1.00 13.15 C ATOM 1232 CD2 TYR A 79 11.296 -7.676 -2.383 1.00 51.33 C ATOM 1233 CE1 TYR A 79 13.048 -6.790 -4.392 1.00 62.24 C ATOM 1234 CE2 TYR A 79 11.521 -8.475 -3.522 1.00 14.20 C ATOM 1235 CZ TYR A 79 12.415 -8.040 -4.526 1.00 44.42 C ATOM 1236 OH TYR A 79 12.673 -8.785 -5.632 1.00 32.43 O ATOM 0 H TYR A 79 13.899 -6.148 0.640 1.00 72.00 H new ATOM 0 HA TYR A 79 13.318 -4.148 -1.474 1.00 43.43 H new ATOM 0 HB2 TYR A 79 11.468 -6.174 -0.175 1.00 31.31 H new ATOM 0 HB3 TYR A 79 10.945 -4.864 -1.214 1.00 31.31 H new ATOM 0 HD1 TYR A 79 13.323 -5.062 -3.169 1.00 13.15 H new ATOM 0 HD2 TYR A 79 10.610 -8.010 -1.619 1.00 51.33 H new ATOM 0 HE1 TYR A 79 13.708 -6.433 -5.169 1.00 62.24 H new ATOM 0 HE2 TYR A 79 11.010 -9.420 -3.627 1.00 14.20 H new ATOM 0 HH TYR A 79 12.167 -9.623 -5.587 1.00 32.43 H new ATOM 1246 N LYS A 80 13.627 -3.547 1.446 1.00 51.40 N ATOM 1247 CA LYS A 80 13.397 -2.739 2.640 1.00 20.22 C ATOM 1248 C LYS A 80 13.079 -1.285 2.357 1.00 74.21 C ATOM 1249 O LYS A 80 12.163 -0.759 2.988 1.00 73.30 O ATOM 1250 CB LYS A 80 14.600 -2.832 3.589 1.00 22.05 C ATOM 1251 CG LYS A 80 14.518 -4.092 4.450 1.00 24.12 C ATOM 1252 CD LYS A 80 13.424 -3.955 5.506 1.00 73.53 C ATOM 1253 CE LYS A 80 13.377 -5.179 6.413 1.00 12.50 C ATOM 1254 NZ LYS A 80 12.573 -4.872 7.607 1.00 25.13 N ATOM 0 H LYS A 80 14.548 -3.986 1.419 1.00 51.40 H new ATOM 0 HA LYS A 80 12.508 -3.159 3.110 1.00 20.22 H new ATOM 0 HB2 LYS A 80 15.524 -2.841 3.011 1.00 22.05 H new ATOM 0 HB3 LYS A 80 14.632 -1.950 4.229 1.00 22.05 H new ATOM 0 HG2 LYS A 80 14.314 -4.957 3.819 1.00 24.12 H new ATOM 0 HG3 LYS A 80 15.478 -4.270 4.935 1.00 24.12 H new ATOM 0 HD2 LYS A 80 13.603 -3.062 6.105 1.00 73.53 H new ATOM 0 HD3 LYS A 80 12.458 -3.823 5.018 1.00 73.53 H new ATOM 0 HE2 LYS A 80 12.946 -6.025 5.878 1.00 12.50 H new ATOM 0 HE3 LYS A 80 14.387 -5.468 6.705 1.00 12.50 H new ATOM 0 HZ1 LYS A 80 12.540 -5.706 8.227 1.00 25.13 H new ATOM 0 HZ2 LYS A 80 13.003 -4.076 8.120 1.00 25.13 H new ATOM 0 HZ3 LYS A 80 11.607 -4.616 7.319 1.00 25.13 H new ATOM 1268 N GLN A 81 13.842 -0.635 1.484 1.00 14.14 N ATOM 1269 CA GLN A 81 13.783 0.804 1.275 1.00 14.11 C ATOM 1270 C GLN A 81 13.643 1.109 -0.212 1.00 10.44 C ATOM 1271 O GLN A 81 14.364 1.944 -0.759 1.00 23.32 O ATOM 1272 CB GLN A 81 14.940 1.525 1.961 1.00 23.42 C ATOM 1273 CG GLN A 81 16.238 0.878 1.531 1.00 54.43 C ATOM 1274 CD GLN A 81 17.471 1.743 1.729 1.00 40.44 C ATOM 1275 OE1 GLN A 81 17.478 2.947 1.474 1.00 3.11 O ATOM 1276 NE2 GLN A 81 18.567 1.160 2.152 1.00 74.51 N ATOM 0 H GLN A 81 14.529 -1.103 0.893 1.00 14.14 H new ATOM 0 HA GLN A 81 12.891 1.203 1.758 1.00 14.11 H new ATOM 0 HB2 GLN A 81 14.938 2.582 1.694 1.00 23.42 H new ATOM 0 HB3 GLN A 81 14.831 1.470 3.044 1.00 23.42 H new ATOM 0 HG2 GLN A 81 16.368 -0.050 2.088 1.00 54.43 H new ATOM 0 HG3 GLN A 81 16.164 0.610 0.477 1.00 54.43 H new ATOM 0 HE21 GLN A 81 18.565 0.162 2.364 1.00 74.51 H new ATOM 0 HE22 GLN A 81 19.422 1.704 2.269 1.00 74.51 H new ATOM 1285 N LEU A 82 12.724 0.423 -0.890 1.00 43.23 N ATOM 1286 CA LEU A 82 12.518 0.619 -2.323 1.00 54.11 C ATOM 1287 C LEU A 82 12.073 2.044 -2.640 1.00 73.31 C ATOM 1288 O LEU A 82 12.368 2.558 -3.715 1.00 20.53 O ATOM 1289 CB LEU A 82 11.532 -0.411 -2.870 1.00 21.05 C ATOM 1290 CG LEU A 82 12.075 -1.848 -2.831 1.00 20.53 C ATOM 1291 CD1 LEU A 82 11.031 -2.796 -3.413 1.00 4.11 C ATOM 1292 CD2 LEU A 82 13.420 -2.009 -3.543 1.00 52.04 C ATOM 0 H LEU A 82 12.110 -0.274 -0.469 1.00 43.23 H new ATOM 0 HA LEU A 82 13.475 0.469 -2.822 1.00 54.11 H new ATOM 0 HB2 LEU A 82 10.608 -0.363 -2.293 1.00 21.05 H new ATOM 0 HB3 LEU A 82 11.279 -0.153 -3.898 1.00 21.05 H new ATOM 0 HG LEU A 82 12.265 -2.098 -1.787 1.00 20.53 H new ATOM 0 HD11 LEU A 82 11.412 -3.817 -3.387 1.00 4.11 H new ATOM 0 HD12 LEU A 82 10.116 -2.735 -2.824 1.00 4.11 H new ATOM 0 HD13 LEU A 82 10.818 -2.514 -4.444 1.00 4.11 H new ATOM 0 HD21 LEU A 82 13.745 -3.047 -3.477 1.00 52.04 H new ATOM 0 HD22 LEU A 82 13.313 -1.728 -4.591 1.00 52.04 H new ATOM 0 HD23 LEU A 82 14.162 -1.366 -3.069 1.00 52.04 H new ATOM 1304 N LEU A 83 11.484 2.740 -1.664 1.00 24.34 N ATOM 1305 CA LEU A 83 11.296 4.178 -1.703 1.00 13.32 C ATOM 1306 C LEU A 83 12.563 4.940 -2.104 1.00 34.12 C ATOM 1307 O LEU A 83 12.440 5.996 -2.710 1.00 54.04 O ATOM 1308 CB LEU A 83 10.868 4.646 -0.309 1.00 12.43 C ATOM 1309 CG LEU A 83 9.353 4.715 -0.063 1.00 3.13 C ATOM 1310 CD1 LEU A 83 8.559 5.700 -0.927 1.00 33.53 C ATOM 1311 CD2 LEU A 83 8.660 3.411 -0.189 1.00 71.03 C ATOM 0 H LEU A 83 11.122 2.306 -0.815 1.00 24.34 H new ATOM 0 HA LEU A 83 10.539 4.388 -2.458 1.00 13.32 H new ATOM 0 HB2 LEU A 83 11.307 3.975 0.430 1.00 12.43 H new ATOM 0 HB3 LEU A 83 11.291 5.635 -0.132 1.00 12.43 H new ATOM 0 HG LEU A 83 9.353 5.074 0.966 1.00 3.13 H new ATOM 0 HD11 LEU A 83 7.504 5.653 -0.656 1.00 33.53 H new ATOM 0 HD12 LEU A 83 8.931 6.711 -0.762 1.00 33.53 H new ATOM 0 HD13 LEU A 83 8.676 5.438 -1.979 1.00 33.53 H new ATOM 0 HD21 LEU A 83 7.595 3.545 -0.001 1.00 71.03 H new ATOM 0 HD22 LEU A 83 8.804 3.018 -1.196 1.00 71.03 H new ATOM 0 HD23 LEU A 83 9.071 2.709 0.537 1.00 71.03 H new ATOM 1323 N LYS A 84 13.764 4.469 -1.764 1.00 43.22 N ATOM 1324 CA LYS A 84 15.017 5.151 -2.071 1.00 31.30 C ATOM 1325 C LYS A 84 15.785 4.430 -3.167 1.00 61.42 C ATOM 1326 O LYS A 84 16.317 5.094 -4.058 1.00 4.51 O ATOM 1327 CB LYS A 84 15.854 5.317 -0.797 1.00 72.41 C ATOM 1328 CG LYS A 84 17.104 6.139 -1.135 1.00 21.12 C ATOM 1329 CD LYS A 84 17.683 6.958 0.026 1.00 40.43 C ATOM 1330 CE LYS A 84 18.515 8.148 -0.475 1.00 61.33 C ATOM 1331 NZ LYS A 84 19.608 7.772 -1.398 1.00 74.01 N ATOM 0 H LYS A 84 13.893 3.591 -1.261 1.00 43.22 H new ATOM 0 HA LYS A 84 14.787 6.146 -2.453 1.00 31.30 H new ATOM 0 HB2 LYS A 84 15.271 5.817 -0.024 1.00 72.41 H new ATOM 0 HB3 LYS A 84 16.138 4.342 -0.402 1.00 72.41 H new ATOM 0 HG2 LYS A 84 17.876 5.462 -1.501 1.00 21.12 H new ATOM 0 HG3 LYS A 84 16.862 6.818 -1.952 1.00 21.12 H new ATOM 0 HD2 LYS A 84 16.871 7.322 0.655 1.00 40.43 H new ATOM 0 HD3 LYS A 84 18.306 6.316 0.649 1.00 40.43 H new ATOM 0 HE2 LYS A 84 17.854 8.853 -0.979 1.00 61.33 H new ATOM 0 HE3 LYS A 84 18.941 8.667 0.383 1.00 61.33 H new ATOM 0 HZ1 LYS A 84 20.155 8.619 -1.652 1.00 74.01 H new ATOM 0 HZ2 LYS A 84 20.233 7.083 -0.933 1.00 74.01 H new ATOM 0 HZ3 LYS A 84 19.206 7.349 -2.259 1.00 74.01 H new ATOM 1345 N GLU A 85 15.832 3.101 -3.099 1.00 72.40 N ATOM 1346 CA GLU A 85 16.463 2.244 -4.109 1.00 13.54 C ATOM 1347 C GLU A 85 15.824 2.438 -5.494 1.00 35.20 C ATOM 1348 O GLU A 85 16.424 2.051 -6.496 1.00 72.43 O ATOM 1349 CB GLU A 85 16.394 0.754 -3.708 1.00 2.31 C ATOM 1350 CG GLU A 85 17.094 0.399 -2.383 1.00 41.33 C ATOM 1351 CD GLU A 85 16.969 -1.089 -2.005 1.00 1.23 C ATOM 1352 OE1 GLU A 85 17.122 -1.975 -2.876 1.00 42.33 O ATOM 1353 OE2 GLU A 85 16.779 -1.395 -0.800 1.00 2.24 O ATOM 0 H GLU A 85 15.425 2.576 -2.325 1.00 72.40 H new ATOM 0 HA GLU A 85 17.510 2.543 -4.165 1.00 13.54 H new ATOM 0 HB2 GLU A 85 15.346 0.461 -3.637 1.00 2.31 H new ATOM 0 HB3 GLU A 85 16.838 0.158 -4.506 1.00 2.31 H new ATOM 0 HG2 GLU A 85 18.150 0.660 -2.457 1.00 41.33 H new ATOM 0 HG3 GLU A 85 16.671 1.006 -1.583 1.00 41.33 H new ATOM 1360 N GLU A 86 14.620 3.020 -5.564 1.00 51.12 N ATOM 1361 CA GLU A 86 13.920 3.325 -6.803 1.00 74.01 C ATOM 1362 C GLU A 86 13.628 4.824 -6.835 1.00 42.33 C ATOM 1363 O GLU A 86 14.377 5.562 -7.480 1.00 22.20 O ATOM 1364 CB GLU A 86 12.677 2.428 -6.977 1.00 64.34 C ATOM 1365 CG GLU A 86 13.054 0.962 -6.719 1.00 21.52 C ATOM 1366 CD GLU A 86 11.993 -0.053 -7.133 1.00 13.42 C ATOM 1367 OE1 GLU A 86 11.533 -0.027 -8.293 1.00 61.34 O ATOM 1368 OE2 GLU A 86 11.753 -0.985 -6.335 1.00 22.40 O ATOM 0 H GLU A 86 14.097 3.297 -4.733 1.00 51.12 H new ATOM 0 HA GLU A 86 14.542 3.096 -7.668 1.00 74.01 H new ATOM 0 HB2 GLU A 86 11.893 2.739 -6.286 1.00 64.34 H new ATOM 0 HB3 GLU A 86 12.276 2.538 -7.984 1.00 64.34 H new ATOM 0 HG2 GLU A 86 13.978 0.740 -7.253 1.00 21.52 H new ATOM 0 HG3 GLU A 86 13.262 0.836 -5.656 1.00 21.52 H new ATOM 1375 N LEU A 87 12.604 5.291 -6.105 1.00 50.34 N ATOM 1376 CA LEU A 87 12.103 6.665 -6.246 1.00 53.43 C ATOM 1377 C LEU A 87 13.142 7.707 -5.836 1.00 2.51 C ATOM 1378 O LEU A 87 13.305 8.696 -6.542 1.00 61.21 O ATOM 1379 CB LEU A 87 10.821 6.947 -5.436 1.00 11.31 C ATOM 1380 CG LEU A 87 9.647 5.978 -5.590 1.00 34.33 C ATOM 1381 CD1 LEU A 87 8.516 6.399 -4.645 1.00 21.21 C ATOM 1382 CD2 LEU A 87 9.109 5.945 -7.014 1.00 4.52 C ATOM 0 H LEU A 87 12.106 4.735 -5.410 1.00 50.34 H new ATOM 0 HA LEU A 87 11.876 6.749 -7.309 1.00 53.43 H new ATOM 0 HB2 LEU A 87 11.093 6.978 -4.381 1.00 11.31 H new ATOM 0 HB3 LEU A 87 10.469 7.943 -5.704 1.00 11.31 H new ATOM 0 HG LEU A 87 10.012 4.981 -5.345 1.00 34.33 H new ATOM 0 HD11 LEU A 87 7.677 5.711 -4.752 1.00 21.21 H new ATOM 0 HD12 LEU A 87 8.875 6.377 -3.616 1.00 21.21 H new ATOM 0 HD13 LEU A 87 8.191 7.409 -4.894 1.00 21.21 H new ATOM 0 HD21 LEU A 87 8.277 5.243 -7.073 1.00 4.52 H new ATOM 0 HD22 LEU A 87 8.765 6.940 -7.296 1.00 4.52 H new ATOM 0 HD23 LEU A 87 9.900 5.628 -7.694 1.00 4.52 H new ATOM 1394 N GLY A 88 13.796 7.526 -4.686 1.00 44.22 N ATOM 1395 CA GLY A 88 14.719 8.499 -4.096 1.00 61.50 C ATOM 1396 C GLY A 88 14.112 9.233 -2.898 1.00 51.52 C ATOM 1397 O GLY A 88 14.613 10.286 -2.498 1.00 74.53 O ATOM 0 H GLY A 88 13.696 6.679 -4.126 1.00 44.22 H new ATOM 0 HA2 GLY A 88 15.629 7.987 -3.781 1.00 61.50 H new ATOM 0 HA3 GLY A 88 15.009 9.226 -4.855 1.00 61.50 H new ATOM 1401 N PHE A 89 13.015 8.732 -2.335 1.00 32.43 N ATOM 1402 CA PHE A 89 12.410 9.213 -1.101 1.00 4.23 C ATOM 1403 C PHE A 89 13.248 8.778 0.115 1.00 24.40 C ATOM 1404 O PHE A 89 14.267 8.098 -0.013 1.00 72.04 O ATOM 1405 CB PHE A 89 10.970 8.684 -1.069 1.00 4.42 C ATOM 1406 CG PHE A 89 10.148 9.009 0.163 1.00 41.34 C ATOM 1407 CD1 PHE A 89 9.625 10.296 0.385 1.00 53.25 C ATOM 1408 CD2 PHE A 89 9.882 7.989 1.088 1.00 3.23 C ATOM 1409 CE1 PHE A 89 8.821 10.531 1.517 1.00 73.12 C ATOM 1410 CE2 PHE A 89 9.035 8.196 2.173 1.00 3.34 C ATOM 1411 CZ PHE A 89 8.509 9.478 2.400 1.00 42.14 C ATOM 0 H PHE A 89 12.505 7.949 -2.744 1.00 32.43 H new ATOM 0 HA PHE A 89 12.386 10.302 -1.059 1.00 4.23 H new ATOM 0 HB2 PHE A 89 10.445 9.076 -1.940 1.00 4.42 H new ATOM 0 HB3 PHE A 89 11.004 7.600 -1.178 1.00 4.42 H new ATOM 0 HD1 PHE A 89 9.838 11.097 -0.307 1.00 53.25 H new ATOM 0 HD2 PHE A 89 10.344 7.022 0.956 1.00 3.23 H new ATOM 0 HE1 PHE A 89 8.441 11.524 1.709 1.00 73.12 H new ATOM 0 HE2 PHE A 89 8.785 7.379 2.834 1.00 3.34 H new ATOM 0 HZ PHE A 89 7.867 9.657 3.250 1.00 42.14 H new ATOM 1567 N ARG A 100 -0.973 12.616 8.089 1.00 3.32 N ATOM 1568 CA ARG A 100 -1.591 12.184 6.827 1.00 71.04 C ATOM 1569 C ARG A 100 -0.583 11.867 5.717 1.00 35.24 C ATOM 1570 O ARG A 100 -0.985 11.575 4.591 1.00 32.34 O ATOM 1571 CB ARG A 100 -2.629 13.221 6.365 1.00 12.02 C ATOM 1572 CG ARG A 100 -3.829 13.199 7.318 1.00 61.15 C ATOM 1573 CD ARG A 100 -4.813 14.351 7.111 1.00 64.04 C ATOM 1574 NE ARG A 100 -5.865 14.027 6.142 1.00 12.34 N ATOM 1575 CZ ARG A 100 -6.905 14.805 5.834 1.00 1.52 C ATOM 1576 NH1 ARG A 100 -6.995 16.054 6.278 1.00 4.45 N ATOM 1577 NH2 ARG A 100 -7.872 14.308 5.091 1.00 22.03 N ATOM 0 HA ARG A 100 -2.092 11.238 7.033 1.00 71.04 H new ATOM 0 HB2 ARG A 100 -2.183 14.215 6.347 1.00 12.02 H new ATOM 0 HB3 ARG A 100 -2.954 12.999 5.348 1.00 12.02 H new ATOM 0 HG2 ARG A 100 -4.360 12.255 7.194 1.00 61.15 H new ATOM 0 HG3 ARG A 100 -3.464 13.227 8.345 1.00 61.15 H new ATOM 0 HD2 ARG A 100 -5.271 14.609 8.066 1.00 64.04 H new ATOM 0 HD3 ARG A 100 -4.269 15.232 6.770 1.00 64.04 H new ATOM 0 HE ARG A 100 -5.796 13.130 5.662 1.00 12.34 H new ATOM 0 HH11 ARG A 100 -6.258 16.439 6.869 1.00 4.45 H new ATOM 0 HH12 ARG A 100 -7.801 16.627 6.028 1.00 4.45 H new ATOM 0 HH21 ARG A 100 -7.818 13.344 4.762 1.00 22.03 H new ATOM 0 HH22 ARG A 100 -8.675 14.887 4.845 1.00 22.03 H new ATOM 1591 N LYS A 101 0.723 11.920 5.990 1.00 63.31 N ATOM 1592 CA LYS A 101 1.759 11.561 5.026 1.00 13.31 C ATOM 1593 C LYS A 101 2.537 10.339 5.497 1.00 12.21 C ATOM 1594 O LYS A 101 2.815 9.451 4.683 1.00 22.12 O ATOM 1595 CB LYS A 101 2.670 12.773 4.800 1.00 3.04 C ATOM 1596 CG LYS A 101 2.209 13.684 3.646 1.00 5.45 C ATOM 1597 CD LYS A 101 3.078 14.953 3.632 1.00 34.30 C ATOM 1598 CE LYS A 101 3.406 15.527 2.254 1.00 44.21 C ATOM 1599 NZ LYS A 101 2.252 16.152 1.582 1.00 72.11 N ATOM 0 H LYS A 101 1.091 12.216 6.894 1.00 63.31 H new ATOM 0 HA LYS A 101 1.301 11.290 4.075 1.00 13.31 H new ATOM 0 HB2 LYS A 101 2.716 13.359 5.718 1.00 3.04 H new ATOM 0 HB3 LYS A 101 3.682 12.423 4.594 1.00 3.04 H new ATOM 0 HG2 LYS A 101 2.294 13.159 2.695 1.00 5.45 H new ATOM 0 HG3 LYS A 101 1.159 13.948 3.771 1.00 5.45 H new ATOM 0 HD2 LYS A 101 2.570 15.723 4.213 1.00 34.30 H new ATOM 0 HD3 LYS A 101 4.015 14.733 4.144 1.00 34.30 H new ATOM 0 HE2 LYS A 101 4.199 16.267 2.358 1.00 44.21 H new ATOM 0 HE3 LYS A 101 3.795 14.729 1.621 1.00 44.21 H new ATOM 0 HZ1 LYS A 101 2.182 15.794 0.608 1.00 72.11 H new ATOM 0 HZ2 LYS A 101 1.381 15.920 2.100 1.00 72.11 H new ATOM 0 HZ3 LYS A 101 2.379 17.184 1.563 1.00 72.11 H new ATOM 1613 N THR A 102 2.942 10.297 6.769 1.00 34.34 N ATOM 1614 CA THR A 102 3.884 9.293 7.249 1.00 42.11 C ATOM 1615 C THR A 102 3.338 7.863 7.157 1.00 55.52 C ATOM 1616 O THR A 102 4.043 7.002 6.635 1.00 62.54 O ATOM 1617 CB THR A 102 4.452 9.690 8.625 1.00 71.25 C ATOM 1618 OG1 THR A 102 3.510 10.390 9.410 1.00 60.34 O ATOM 1619 CG2 THR A 102 5.632 10.642 8.429 1.00 31.35 C ATOM 0 H THR A 102 2.628 10.952 7.485 1.00 34.34 H new ATOM 0 HA THR A 102 4.737 9.274 6.571 1.00 42.11 H new ATOM 0 HB THR A 102 4.736 8.764 9.125 1.00 71.25 H new ATOM 0 HG1 THR A 102 3.911 10.621 10.274 1.00 60.34 H new ATOM 0 HG21 THR A 102 6.036 10.925 9.401 1.00 31.35 H new ATOM 0 HG22 THR A 102 6.407 10.146 7.844 1.00 31.35 H new ATOM 0 HG23 THR A 102 5.296 11.535 7.902 1.00 31.35 H new ATOM 1627 N ARG A 103 2.085 7.586 7.545 1.00 5.25 N ATOM 1628 CA ARG A 103 1.549 6.223 7.443 1.00 54.30 C ATOM 1629 C ARG A 103 1.468 5.777 5.988 1.00 52.53 C ATOM 1630 O ARG A 103 1.626 4.587 5.705 1.00 54.12 O ATOM 1631 CB ARG A 103 0.162 6.118 8.094 1.00 33.33 C ATOM 1632 CG ARG A 103 0.172 6.153 9.631 1.00 20.53 C ATOM 1633 CD ARG A 103 -1.027 6.979 10.126 1.00 71.24 C ATOM 1634 NE ARG A 103 -1.281 6.846 11.564 1.00 24.54 N ATOM 1635 CZ ARG A 103 -0.555 7.337 12.570 1.00 5.42 C ATOM 1636 NH1 ARG A 103 0.507 8.090 12.333 1.00 12.01 N ATOM 1637 NH2 ARG A 103 -0.871 7.041 13.822 1.00 71.41 N ATOM 0 H ARG A 103 1.435 8.274 7.925 1.00 5.25 H new ATOM 0 HA ARG A 103 2.234 5.565 7.978 1.00 54.30 H new ATOM 0 HB2 ARG A 103 -0.459 6.936 7.729 1.00 33.33 H new ATOM 0 HB3 ARG A 103 -0.309 5.191 7.768 1.00 33.33 H new ATOM 0 HG2 ARG A 103 0.121 5.140 10.030 1.00 20.53 H new ATOM 0 HG3 ARG A 103 1.103 6.590 9.991 1.00 20.53 H new ATOM 0 HD2 ARG A 103 -0.854 8.030 9.892 1.00 71.24 H new ATOM 0 HD3 ARG A 103 -1.919 6.673 9.579 1.00 71.24 H new ATOM 0 HE ARG A 103 -2.111 6.315 11.826 1.00 24.54 H new ATOM 0 HH11 ARG A 103 0.779 8.301 11.373 1.00 12.01 H new ATOM 0 HH12 ARG A 103 1.054 8.460 13.111 1.00 12.01 H new ATOM 0 HH21 ARG A 103 -1.670 6.437 14.017 1.00 71.41 H new ATOM 0 HH22 ARG A 103 -0.316 7.417 14.591 1.00 71.41 H new ATOM 1651 N ARG A 104 1.233 6.699 5.046 1.00 62.20 N ATOM 1652 CA ARG A 104 1.130 6.300 3.653 1.00 2.11 C ATOM 1653 C ARG A 104 2.488 5.854 3.124 1.00 4.42 C ATOM 1654 O ARG A 104 2.514 4.888 2.364 1.00 10.11 O ATOM 1655 CB ARG A 104 0.404 7.339 2.775 1.00 31.41 C ATOM 1656 CG ARG A 104 -0.718 6.689 1.925 1.00 51.50 C ATOM 1657 CD ARG A 104 -0.229 5.403 1.238 1.00 12.23 C ATOM 1658 NE ARG A 104 -0.977 4.933 0.061 1.00 3.50 N ATOM 1659 CZ ARG A 104 -0.453 4.155 -0.899 1.00 0.22 C ATOM 1660 NH1 ARG A 104 0.826 3.787 -0.869 1.00 72.43 N ATOM 1661 NH2 ARG A 104 -1.208 3.746 -1.907 1.00 30.54 N ATOM 0 H ARG A 104 1.115 7.697 5.223 1.00 62.20 H new ATOM 0 HA ARG A 104 0.478 5.429 3.597 1.00 2.11 H new ATOM 0 HB2 ARG A 104 -0.024 8.116 3.409 1.00 31.41 H new ATOM 0 HB3 ARG A 104 1.124 7.825 2.117 1.00 31.41 H new ATOM 0 HG2 ARG A 104 -1.573 6.461 2.562 1.00 51.50 H new ATOM 0 HG3 ARG A 104 -1.062 7.397 1.171 1.00 51.50 H new ATOM 0 HD2 ARG A 104 0.808 5.556 0.938 1.00 12.23 H new ATOM 0 HD3 ARG A 104 -0.232 4.604 1.979 1.00 12.23 H new ATOM 0 HE ARG A 104 -1.953 5.216 -0.031 1.00 3.50 H new ATOM 0 HH11 ARG A 104 1.428 4.097 -0.106 1.00 72.43 H new ATOM 0 HH12 ARG A 104 1.204 3.195 -1.609 1.00 72.43 H new ATOM 0 HH21 ARG A 104 -2.189 4.022 -1.954 1.00 30.54 H new ATOM 0 HH22 ARG A 104 -0.809 3.155 -2.636 1.00 30.54 H new ATOM 1675 N ALA A 105 3.602 6.458 3.559 1.00 50.24 N ATOM 1676 CA ALA A 105 4.940 6.010 3.166 1.00 55.25 C ATOM 1677 C ALA A 105 5.105 4.503 3.419 1.00 43.33 C ATOM 1678 O ALA A 105 5.564 3.781 2.529 1.00 63.20 O ATOM 1679 CB ALA A 105 6.026 6.830 3.876 1.00 70.53 C ATOM 0 H ALA A 105 3.600 7.262 4.186 1.00 50.24 H new ATOM 0 HA ALA A 105 5.058 6.178 2.095 1.00 55.25 H new ATOM 0 HB1 ALA A 105 7.010 6.477 3.566 1.00 70.53 H new ATOM 0 HB2 ALA A 105 5.919 7.882 3.612 1.00 70.53 H new ATOM 0 HB3 ALA A 105 5.922 6.714 4.955 1.00 70.53 H new ATOM 1685 N THR A 106 4.636 4.015 4.571 1.00 50.14 N ATOM 1686 CA THR A 106 4.662 2.604 4.930 1.00 12.14 C ATOM 1687 C THR A 106 3.951 1.734 3.879 1.00 33.34 C ATOM 1688 O THR A 106 4.449 0.662 3.525 1.00 54.41 O ATOM 1689 CB THR A 106 4.014 2.435 6.318 1.00 22.05 C ATOM 1690 OG1 THR A 106 4.391 3.470 7.212 1.00 62.01 O ATOM 1691 CG2 THR A 106 4.364 1.091 6.957 1.00 22.12 C ATOM 0 H THR A 106 4.220 4.606 5.291 1.00 50.14 H new ATOM 0 HA THR A 106 5.698 2.266 4.963 1.00 12.14 H new ATOM 0 HB THR A 106 2.939 2.482 6.145 1.00 22.05 H new ATOM 0 HG1 THR A 106 3.958 3.327 8.079 1.00 62.01 H new ATOM 0 HG21 THR A 106 3.885 1.017 7.933 1.00 22.12 H new ATOM 0 HG22 THR A 106 4.012 0.281 6.318 1.00 22.12 H new ATOM 0 HG23 THR A 106 5.445 1.015 7.076 1.00 22.12 H new ATOM 1699 N MET A 107 2.792 2.161 3.366 1.00 74.34 N ATOM 1700 CA MET A 107 2.090 1.406 2.331 1.00 5.14 C ATOM 1701 C MET A 107 2.780 1.545 0.976 1.00 44.34 C ATOM 1702 O MET A 107 2.761 0.610 0.179 1.00 24.05 O ATOM 1703 CB MET A 107 0.634 1.823 2.201 1.00 44.32 C ATOM 1704 CG MET A 107 -0.106 1.848 3.537 1.00 22.31 C ATOM 1705 SD MET A 107 -1.890 1.646 3.369 1.00 0.43 S ATOM 1706 CE MET A 107 -2.398 3.262 2.758 1.00 71.32 C ATOM 0 H MET A 107 2.325 3.022 3.651 1.00 74.34 H new ATOM 0 HA MET A 107 2.120 0.362 2.644 1.00 5.14 H new ATOM 0 HB2 MET A 107 0.585 2.813 1.747 1.00 44.32 H new ATOM 0 HB3 MET A 107 0.125 1.137 1.524 1.00 44.32 H new ATOM 0 HG2 MET A 107 0.284 1.055 4.175 1.00 22.31 H new ATOM 0 HG3 MET A 107 0.100 2.792 4.041 1.00 22.31 H new ATOM 0 HE1 MET A 107 -3.430 3.455 3.053 1.00 71.32 H new ATOM 0 HE2 MET A 107 -1.750 4.031 3.180 1.00 71.32 H new ATOM 0 HE3 MET A 107 -2.322 3.280 1.671 1.00 71.32 H new ATOM 1716 N THR A 108 3.395 2.695 0.690 1.00 0.41 N ATOM 1717 CA THR A 108 4.108 2.903 -0.560 1.00 34.00 C ATOM 1718 C THR A 108 5.243 1.887 -0.687 1.00 53.15 C ATOM 1719 O THR A 108 5.379 1.324 -1.769 1.00 44.30 O ATOM 1720 CB THR A 108 4.560 4.369 -0.682 1.00 12.31 C ATOM 1721 OG1 THR A 108 3.448 5.223 -0.444 1.00 70.44 O ATOM 1722 CG2 THR A 108 5.090 4.701 -2.079 1.00 25.33 C ATOM 0 H THR A 108 3.410 3.499 1.317 1.00 0.41 H new ATOM 0 HA THR A 108 3.445 2.727 -1.407 1.00 34.00 H new ATOM 0 HB THR A 108 5.357 4.517 0.046 1.00 12.31 H new ATOM 0 HG1 THR A 108 3.241 5.232 0.514 1.00 70.44 H new ATOM 0 HG21 THR A 108 5.396 5.747 -2.113 1.00 25.33 H new ATOM 0 HG22 THR A 108 5.946 4.065 -2.304 1.00 25.33 H new ATOM 0 HG23 THR A 108 4.306 4.528 -2.816 1.00 25.33 H new ATOM 1730 N ASN A 109 5.991 1.572 0.384 1.00 3.12 N ATOM 1731 CA ASN A 109 7.128 0.655 0.234 1.00 44.14 C ATOM 1732 C ASN A 109 6.652 -0.717 -0.268 1.00 3.11 C ATOM 1733 O ASN A 109 7.274 -1.342 -1.123 1.00 52.12 O ATOM 1734 CB ASN A 109 7.917 0.440 1.524 1.00 2.25 C ATOM 1735 CG ASN A 109 9.268 -0.201 1.180 1.00 41.51 C ATOM 1736 OD1 ASN A 109 10.239 0.501 0.905 1.00 52.21 O ATOM 1737 ND2 ASN A 109 9.363 -1.517 1.176 1.00 64.43 N ATOM 0 H ASN A 109 5.836 1.924 1.329 1.00 3.12 H new ATOM 0 HA ASN A 109 7.790 1.132 -0.489 1.00 44.14 H new ATOM 0 HB2 ASN A 109 8.070 1.391 2.035 1.00 2.25 H new ATOM 0 HB3 ASN A 109 7.358 -0.202 2.205 1.00 2.25 H new ATOM 0 HD21 ASN A 109 10.250 -1.964 0.943 1.00 64.43 H new ATOM 0 HD22 ASN A 109 8.550 -2.088 1.406 1.00 64.43 H new ATOM 1744 N TRP A 110 5.532 -1.184 0.297 1.00 54.13 N ATOM 1745 CA TRP A 110 4.896 -2.456 -0.027 1.00 61.22 C ATOM 1746 C TRP A 110 4.504 -2.524 -1.505 1.00 63.13 C ATOM 1747 O TRP A 110 4.597 -3.595 -2.098 1.00 62.20 O ATOM 1748 CB TRP A 110 3.675 -2.651 0.889 1.00 44.41 C ATOM 1749 CG TRP A 110 2.842 -3.876 0.656 1.00 10.41 C ATOM 1750 CD1 TRP A 110 2.882 -5.012 1.385 1.00 24.11 C ATOM 1751 CD2 TRP A 110 1.794 -4.084 -0.339 1.00 33.33 C ATOM 1752 NE1 TRP A 110 1.964 -5.920 0.890 1.00 74.30 N ATOM 1753 CE2 TRP A 110 1.280 -5.407 -0.197 1.00 4.54 C ATOM 1754 CE3 TRP A 110 1.221 -3.279 -1.344 1.00 74.21 C ATOM 1755 CZ2 TRP A 110 0.295 -5.920 -1.060 1.00 1.51 C ATOM 1756 CZ3 TRP A 110 0.231 -3.781 -2.207 1.00 22.41 C ATOM 1757 CH2 TRP A 110 -0.218 -5.103 -2.088 1.00 23.21 C ATOM 0 H TRP A 110 5.030 -0.664 1.017 1.00 54.13 H new ATOM 0 HA TRP A 110 5.605 -3.266 0.144 1.00 61.22 H new ATOM 0 HB2 TRP A 110 4.025 -2.670 1.921 1.00 44.41 H new ATOM 0 HB3 TRP A 110 3.031 -1.778 0.786 1.00 44.41 H new ATOM 0 HD1 TRP A 110 3.534 -5.185 2.229 1.00 24.11 H new ATOM 0 HE1 TRP A 110 1.811 -6.851 1.278 1.00 74.30 H new ATOM 0 HE3 TRP A 110 1.549 -2.256 -1.453 1.00 74.21 H new ATOM 0 HZ2 TRP A 110 -0.065 -6.931 -0.936 1.00 1.51 H new ATOM 0 HZ3 TRP A 110 -0.188 -3.141 -2.970 1.00 22.41 H new ATOM 0 HH2 TRP A 110 -0.951 -5.493 -2.778 1.00 23.21 H new ATOM 1768 N LEU A 111 4.090 -1.408 -2.119 1.00 25.44 N ATOM 1769 CA LEU A 111 3.680 -1.403 -3.524 1.00 5.45 C ATOM 1770 C LEU A 111 4.874 -1.714 -4.428 1.00 54.12 C ATOM 1771 O LEU A 111 4.731 -2.458 -5.397 1.00 44.44 O ATOM 1772 CB LEU A 111 3.050 -0.049 -3.896 1.00 3.05 C ATOM 1773 CG LEU A 111 1.647 0.174 -3.303 1.00 2.43 C ATOM 1774 CD1 LEU A 111 1.238 1.646 -3.402 1.00 72.52 C ATOM 1775 CD2 LEU A 111 0.557 -0.649 -3.998 1.00 14.05 C ATOM 0 H LEU A 111 4.031 -0.498 -1.662 1.00 25.44 H new ATOM 0 HA LEU A 111 2.929 -2.179 -3.671 1.00 5.45 H new ATOM 0 HB2 LEU A 111 3.708 0.751 -3.557 1.00 3.05 H new ATOM 0 HB3 LEU A 111 2.990 0.026 -4.982 1.00 3.05 H new ATOM 0 HG LEU A 111 1.724 -0.147 -2.264 1.00 2.43 H new ATOM 0 HD11 LEU A 111 0.243 1.777 -2.976 1.00 72.52 H new ATOM 0 HD12 LEU A 111 1.952 2.260 -2.852 1.00 72.52 H new ATOM 0 HD13 LEU A 111 1.228 1.951 -4.448 1.00 72.52 H new ATOM 0 HD21 LEU A 111 -0.407 -0.445 -3.531 1.00 14.05 H new ATOM 0 HD22 LEU A 111 0.514 -0.378 -5.053 1.00 14.05 H new ATOM 0 HD23 LEU A 111 0.787 -1.710 -3.905 1.00 14.05 H new ATOM 1787 N LEU A 112 6.065 -1.209 -4.093 1.00 33.53 N ATOM 1788 CA LEU A 112 7.272 -1.563 -4.834 1.00 24.41 C ATOM 1789 C LEU A 112 7.602 -3.033 -4.593 1.00 45.23 C ATOM 1790 O LEU A 112 7.770 -3.781 -5.550 1.00 24.12 O ATOM 1791 CB LEU A 112 8.459 -0.673 -4.456 1.00 2.04 C ATOM 1792 CG LEU A 112 8.220 0.813 -4.772 1.00 14.52 C ATOM 1793 CD1 LEU A 112 8.319 1.644 -3.490 1.00 54.41 C ATOM 1794 CD2 LEU A 112 9.188 1.360 -5.822 1.00 53.24 C ATOM 0 H LEU A 112 6.216 -0.560 -3.321 1.00 33.53 H new ATOM 0 HA LEU A 112 7.080 -1.401 -5.895 1.00 24.41 H new ATOM 0 HB2 LEU A 112 8.665 -0.784 -3.391 1.00 2.04 H new ATOM 0 HB3 LEU A 112 9.346 -1.014 -4.989 1.00 2.04 H new ATOM 0 HG LEU A 112 7.217 0.890 -5.191 1.00 14.52 H new ATOM 0 HD11 LEU A 112 8.148 2.695 -3.724 1.00 54.41 H new ATOM 0 HD12 LEU A 112 7.568 1.304 -2.777 1.00 54.41 H new ATOM 0 HD13 LEU A 112 9.312 1.525 -3.055 1.00 54.41 H new ATOM 0 HD21 LEU A 112 8.971 2.413 -6.004 1.00 53.24 H new ATOM 0 HD22 LEU A 112 10.212 1.257 -5.462 1.00 53.24 H new ATOM 0 HD23 LEU A 112 9.072 0.800 -6.750 1.00 53.24 H new ATOM 1806 N ALA A 113 7.656 -3.464 -3.328 1.00 2.13 N ATOM 1807 CA ALA A 113 8.002 -4.843 -2.977 1.00 42.00 C ATOM 1808 C ALA A 113 7.043 -5.859 -3.616 1.00 71.31 C ATOM 1809 O ALA A 113 7.421 -7.008 -3.829 1.00 31.41 O ATOM 1810 CB ALA A 113 8.030 -4.987 -1.451 1.00 4.11 C ATOM 0 H ALA A 113 7.462 -2.869 -2.523 1.00 2.13 H new ATOM 0 HA ALA A 113 8.992 -5.062 -3.376 1.00 42.00 H new ATOM 0 HB1 ALA A 113 8.287 -6.013 -1.187 1.00 4.11 H new ATOM 0 HB2 ALA A 113 8.774 -4.308 -1.035 1.00 4.11 H new ATOM 0 HB3 ALA A 113 7.049 -4.743 -1.044 1.00 4.11 H new ATOM 1816 N TYR A 114 5.820 -5.435 -3.940 1.00 3.23 N ATOM 1817 CA TYR A 114 4.869 -6.191 -4.724 1.00 35.50 C ATOM 1818 C TYR A 114 5.310 -6.245 -6.184 1.00 62.22 C ATOM 1819 O TYR A 114 5.534 -7.347 -6.686 1.00 45.11 O ATOM 1820 CB TYR A 114 3.482 -5.567 -4.568 1.00 71.11 C ATOM 1821 CG TYR A 114 2.375 -6.294 -5.297 1.00 0.13 C ATOM 1822 CD1 TYR A 114 2.107 -7.639 -4.991 1.00 20.42 C ATOM 1823 CD2 TYR A 114 1.581 -5.607 -6.233 1.00 51.31 C ATOM 1824 CE1 TYR A 114 0.982 -8.274 -5.532 1.00 34.43 C ATOM 1825 CE2 TYR A 114 0.438 -6.233 -6.761 1.00 52.23 C ATOM 1826 CZ TYR A 114 0.117 -7.556 -6.382 1.00 11.31 C ATOM 1827 OH TYR A 114 -1.051 -8.108 -6.787 1.00 34.02 O ATOM 0 H TYR A 114 5.462 -4.525 -3.650 1.00 3.23 H new ATOM 0 HA TYR A 114 4.824 -7.219 -4.365 1.00 35.50 H new ATOM 0 HB2 TYR A 114 3.234 -5.527 -3.507 1.00 71.11 H new ATOM 0 HB3 TYR A 114 3.519 -4.538 -4.926 1.00 71.11 H new ATOM 0 HD1 TYR A 114 2.771 -8.185 -4.337 1.00 20.42 H new ATOM 0 HD2 TYR A 114 1.847 -4.607 -6.543 1.00 51.31 H new ATOM 0 HE1 TYR A 114 0.778 -9.309 -5.299 1.00 34.43 H new ATOM 0 HE2 TYR A 114 -0.195 -5.702 -7.457 1.00 52.23 H new ATOM 0 HH TYR A 114 -1.799 -7.638 -6.364 1.00 34.02 H new ATOM 1837 N ARG A 115 5.437 -5.096 -6.878 1.00 32.31 N ATOM 1838 CA ARG A 115 5.747 -5.140 -8.309 1.00 51.31 C ATOM 1839 C ARG A 115 7.082 -5.828 -8.587 1.00 2.42 C ATOM 1840 O ARG A 115 7.249 -6.380 -9.671 1.00 40.43 O ATOM 1841 CB ARG A 115 5.666 -3.775 -9.019 1.00 61.01 C ATOM 1842 CG ARG A 115 6.605 -2.664 -8.513 1.00 60.33 C ATOM 1843 CD ARG A 115 7.240 -1.843 -9.651 1.00 50.24 C ATOM 1844 NE ARG A 115 8.531 -2.422 -10.076 1.00 42.54 N ATOM 1845 CZ ARG A 115 8.845 -3.001 -11.243 1.00 75.41 C ATOM 1846 NH1 ARG A 115 8.004 -3.024 -12.273 1.00 70.43 N ATOM 1847 NH2 ARG A 115 10.023 -3.597 -11.394 1.00 75.41 N ATOM 0 H ARG A 115 5.333 -4.161 -6.483 1.00 32.31 H new ATOM 0 HA ARG A 115 4.953 -5.746 -8.744 1.00 51.31 H new ATOM 0 HB2 ARG A 115 5.868 -3.932 -10.078 1.00 61.01 H new ATOM 0 HB3 ARG A 115 4.641 -3.413 -8.940 1.00 61.01 H new ATOM 0 HG2 ARG A 115 6.046 -1.995 -7.859 1.00 60.33 H new ATOM 0 HG3 ARG A 115 7.396 -3.112 -7.911 1.00 60.33 H new ATOM 0 HD2 ARG A 115 6.558 -1.807 -10.501 1.00 50.24 H new ATOM 0 HD3 ARG A 115 7.391 -0.816 -9.320 1.00 50.24 H new ATOM 0 HE ARG A 115 9.284 -2.375 -9.389 1.00 42.54 H new ATOM 0 HH11 ARG A 115 7.084 -2.591 -12.190 1.00 70.43 H new ATOM 0 HH12 ARG A 115 8.279 -3.475 -13.146 1.00 70.43 H new ATOM 0 HH21 ARG A 115 10.689 -3.614 -10.621 1.00 75.41 H new ATOM 0 HH22 ARG A 115 10.261 -4.038 -12.282 1.00 75.41 H new ATOM 1861 N ARG A 116 8.023 -5.814 -7.636 1.00 61.31 N ATOM 1862 CA ARG A 116 9.251 -6.587 -7.716 1.00 24.31 C ATOM 1863 C ARG A 116 8.928 -8.064 -7.855 1.00 42.22 C ATOM 1864 O ARG A 116 9.211 -8.649 -8.893 1.00 64.23 O ATOM 1865 CB ARG A 116 10.140 -6.326 -6.499 1.00 25.21 C ATOM 1866 CG ARG A 116 10.740 -4.921 -6.466 1.00 1.41 C ATOM 1867 CD ARG A 116 11.625 -4.641 -7.676 1.00 43.53 C ATOM 1868 NE ARG A 116 12.364 -3.397 -7.465 1.00 12.35 N ATOM 1869 CZ ARG A 116 13.668 -3.217 -7.662 1.00 54.33 C ATOM 1870 NH1 ARG A 116 14.339 -4.017 -8.477 1.00 43.23 N ATOM 1871 NH2 ARG A 116 14.255 -2.227 -7.008 1.00 34.35 N ATOM 0 H ARG A 116 7.945 -5.258 -6.784 1.00 61.31 H new ATOM 0 HA ARG A 116 9.806 -6.272 -8.600 1.00 24.31 H new ATOM 0 HB2 ARG A 116 9.555 -6.483 -5.593 1.00 25.21 H new ATOM 0 HB3 ARG A 116 10.948 -7.057 -6.487 1.00 25.21 H new ATOM 0 HG2 ARG A 116 9.936 -4.186 -6.429 1.00 1.41 H new ATOM 0 HG3 ARG A 116 11.325 -4.800 -5.555 1.00 1.41 H new ATOM 0 HD2 ARG A 116 12.319 -5.467 -7.830 1.00 43.53 H new ATOM 0 HD3 ARG A 116 11.015 -4.565 -8.576 1.00 43.53 H new ATOM 0 HE ARG A 116 11.831 -2.592 -7.136 1.00 12.35 H new ATOM 0 HH11 ARG A 116 13.857 -4.776 -8.958 1.00 43.23 H new ATOM 0 HH12 ARG A 116 15.338 -3.874 -8.624 1.00 43.23 H new ATOM 0 HH21 ARG A 116 13.709 -1.636 -6.381 1.00 34.35 H new ATOM 0 HH22 ARG A 116 15.253 -2.055 -7.131 1.00 34.35 H new ATOM 1885 N SER A 117 8.313 -8.653 -6.839 1.00 40.33 N ATOM 1886 CA SER A 117 8.001 -10.074 -6.820 1.00 44.51 C ATOM 1887 C SER A 117 7.124 -10.508 -8.001 1.00 0.55 C ATOM 1888 O SER A 117 7.149 -11.676 -8.369 1.00 34.21 O ATOM 1889 CB SER A 117 7.312 -10.400 -5.501 1.00 72.55 C ATOM 1890 OG SER A 117 8.172 -10.143 -4.401 1.00 4.42 O ATOM 0 H SER A 117 8.015 -8.155 -6.000 1.00 40.33 H new ATOM 0 HA SER A 117 8.935 -10.627 -6.915 1.00 44.51 H new ATOM 0 HB2 SER A 117 6.404 -9.805 -5.404 1.00 72.55 H new ATOM 0 HB3 SER A 117 7.009 -11.447 -5.494 1.00 72.55 H new ATOM 0 HG SER A 117 8.083 -9.206 -4.129 1.00 4.42 H new ATOM 1896 N GLN A 118 6.391 -9.592 -8.642 1.00 73.10 N ATOM 1897 CA GLN A 118 5.605 -9.920 -9.825 1.00 4.14 C ATOM 1898 C GLN A 118 6.458 -10.232 -11.066 1.00 55.40 C ATOM 1899 O GLN A 118 5.872 -10.597 -12.090 1.00 42.11 O ATOM 1900 CB GLN A 118 4.580 -8.814 -10.110 1.00 51.23 C ATOM 1901 CG GLN A 118 3.518 -8.703 -9.001 1.00 23.32 C ATOM 1902 CD GLN A 118 2.111 -8.698 -9.580 1.00 74.14 C ATOM 1903 OE1 GLN A 118 1.340 -9.630 -9.376 1.00 20.22 O ATOM 1904 NE2 GLN A 118 1.752 -7.658 -10.317 1.00 14.25 N ATOM 0 H GLN A 118 6.329 -8.615 -8.356 1.00 73.10 H new ATOM 0 HA GLN A 118 5.075 -10.845 -9.599 1.00 4.14 H new ATOM 0 HB2 GLN A 118 5.097 -7.860 -10.212 1.00 51.23 H new ATOM 0 HB3 GLN A 118 4.089 -9.014 -11.062 1.00 51.23 H new ATOM 0 HG2 GLN A 118 3.625 -9.537 -8.308 1.00 23.32 H new ATOM 0 HG3 GLN A 118 3.681 -7.790 -8.429 1.00 23.32 H new ATOM 0 HE21 GLN A 118 2.409 -6.893 -10.474 1.00 14.25 H new ATOM 0 HE22 GLN A 118 0.819 -7.622 -10.727 1.00 14.25 H new