USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=21 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 114 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 118 GLN : amide:sc= -0.811 K(o=-0.81,f=-4.4!) USER MOD Set 2.1: A 24 ASN : amide:sc= 0.879 K(o=0.36,f=-8!) USER MOD Set 2.2: A 107 MET CE :methyl 172:sc= -0.515 (180deg=-0.764) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 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= -0.983 X(o=-0.98,f=-0.91) USER MOD Single : A 33 TYR OH : rot 96:sc= -0.0432 USER MOD Single : A 39 GLN : amide:sc= 1.2 K(o=1.2,f=-0.0073) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.77 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 55 TYR OH : rot 152:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.298 USER MOD Single : A 68 THR OG1 : rot -160:sc= 0.0049 USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= 0.798 (180deg=0.794) USER MOD Single : A 72 THR OG1 : rot 81:sc= 0.0244 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -97:sc= 1.3 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 162:sc= 0.302 (180deg=-0.14) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -90:sc= -0.39 USER MOD Single : A 109 ASN : amide:sc= 0.262 K(o=0.26,f=-2.5!) USER MOD Single : A 117 SER OG : rot 101:sc= 0.0272 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -2.910 -9.226 -9.906 1.00 11.41 N ATOM 19 CA GLY A 2 -1.584 -8.912 -10.413 1.00 24.44 C ATOM 20 C GLY A 2 -1.533 -7.619 -11.206 1.00 23.34 C ATOM 21 O GLY A 2 -1.079 -7.584 -12.348 1.00 31.11 O ATOM 0 HA2 GLY A 2 -0.890 -8.844 -9.576 1.00 24.44 H new ATOM 0 HA3 GLY A 2 -1.241 -9.731 -11.045 1.00 24.44 H new ATOM 25 N ILE A 3 -2.009 -6.545 -10.587 1.00 35.12 N ATOM 26 CA ILE A 3 -1.986 -5.205 -11.158 1.00 73.12 C ATOM 27 C ILE A 3 -0.526 -4.841 -11.426 1.00 51.11 C ATOM 28 O ILE A 3 0.378 -5.198 -10.659 1.00 31.44 O ATOM 29 CB ILE A 3 -2.657 -4.179 -10.215 1.00 22.44 C ATOM 30 CG1 ILE A 3 -3.965 -4.746 -9.629 1.00 51.34 C ATOM 31 CG2 ILE A 3 -2.959 -2.844 -10.923 1.00 31.34 C ATOM 32 CD1 ILE A 3 -4.650 -3.772 -8.668 1.00 42.40 C ATOM 0 H ILE A 3 -2.429 -6.582 -9.658 1.00 35.12 H new ATOM 0 HA ILE A 3 -2.555 -5.184 -12.088 1.00 73.12 H new ATOM 0 HB ILE A 3 -1.945 -3.987 -9.412 1.00 22.44 H new ATOM 0 HG12 ILE A 3 -4.648 -4.989 -10.443 1.00 51.34 H new ATOM 0 HG13 ILE A 3 -3.750 -5.677 -9.105 1.00 51.34 H new ATOM 0 HG21 ILE A 3 -3.430 -2.157 -10.219 1.00 31.34 H new ATOM 0 HG22 ILE A 3 -2.030 -2.408 -11.289 1.00 31.34 H new ATOM 0 HG23 ILE A 3 -3.632 -3.021 -11.762 1.00 31.34 H new ATOM 0 HD11 ILE A 3 -5.566 -4.222 -8.285 1.00 42.40 H new ATOM 0 HD12 ILE A 3 -3.980 -3.549 -7.837 1.00 42.40 H new ATOM 0 HD13 ILE A 3 -4.892 -2.850 -9.196 1.00 42.40 H new ATOM 44 N THR A 4 -0.311 -4.091 -12.496 1.00 64.14 N ATOM 45 CA THR A 4 0.973 -3.477 -12.766 1.00 31.41 C ATOM 46 C THR A 4 1.043 -2.233 -11.895 1.00 1.13 C ATOM 47 O THR A 4 0.146 -1.392 -11.936 1.00 64.42 O ATOM 48 CB THR A 4 1.107 -3.098 -14.243 1.00 40.02 C ATOM 49 OG1 THR A 4 0.767 -4.200 -15.061 1.00 32.33 O ATOM 50 CG2 THR A 4 2.531 -2.609 -14.524 1.00 31.13 C ATOM 0 H THR A 4 -1.023 -3.893 -13.199 1.00 64.14 H new ATOM 0 HA THR A 4 1.785 -4.170 -12.544 1.00 31.41 H new ATOM 0 HB THR A 4 0.417 -2.287 -14.476 1.00 40.02 H new ATOM 0 HG1 THR A 4 0.854 -3.947 -16.004 1.00 32.33 H new ATOM 0 HG21 THR A 4 2.622 -2.340 -15.576 1.00 31.13 H new ATOM 0 HG22 THR A 4 2.744 -1.736 -13.907 1.00 31.13 H new ATOM 0 HG23 THR A 4 3.241 -3.402 -14.289 1.00 31.13 H new ATOM 58 N ILE A 5 2.115 -2.103 -11.123 1.00 12.23 N ATOM 59 CA ILE A 5 2.400 -0.879 -10.403 1.00 10.41 C ATOM 60 C ILE A 5 3.428 -0.106 -11.219 1.00 73.42 C ATOM 61 O ILE A 5 4.340 -0.700 -11.808 1.00 4.31 O ATOM 62 CB ILE A 5 2.908 -1.212 -8.993 1.00 72.31 C ATOM 63 CG1 ILE A 5 1.970 -2.151 -8.210 1.00 63.55 C ATOM 64 CG2 ILE A 5 3.214 0.054 -8.193 1.00 1.33 C ATOM 65 CD1 ILE A 5 0.540 -1.648 -8.018 1.00 42.50 C ATOM 0 H ILE A 5 2.805 -2.841 -10.982 1.00 12.23 H new ATOM 0 HA ILE A 5 1.507 -0.267 -10.277 1.00 10.41 H new ATOM 0 HB ILE A 5 3.839 -1.761 -9.135 1.00 72.31 H new ATOM 0 HG12 ILE A 5 1.932 -3.110 -8.726 1.00 63.55 H new ATOM 0 HG13 ILE A 5 2.406 -2.334 -7.228 1.00 63.55 H new ATOM 0 HG21 ILE A 5 3.571 -0.220 -7.200 1.00 1.33 H new ATOM 0 HG22 ILE A 5 3.981 0.633 -8.707 1.00 1.33 H new ATOM 0 HG23 ILE A 5 2.308 0.653 -8.100 1.00 1.33 H new ATOM 0 HD11 ILE A 5 -0.033 -2.385 -7.455 1.00 42.50 H new ATOM 0 HD12 ILE A 5 0.556 -0.706 -7.470 1.00 42.50 H new ATOM 0 HD13 ILE A 5 0.075 -1.494 -8.992 1.00 42.50 H new ATOM 77 N THR A 6 3.288 1.210 -11.190 1.00 14.13 N ATOM 78 CA THR A 6 4.149 2.181 -11.834 1.00 15.02 C ATOM 79 C THR A 6 4.703 3.135 -10.773 1.00 53.53 C ATOM 80 O THR A 6 3.974 3.583 -9.886 1.00 1.10 O ATOM 81 CB THR A 6 3.347 2.911 -12.931 1.00 20.11 C ATOM 82 OG1 THR A 6 1.993 3.110 -12.559 1.00 1.25 O ATOM 83 CG2 THR A 6 3.359 2.097 -14.225 1.00 43.31 C ATOM 0 H THR A 6 2.521 1.653 -10.684 1.00 14.13 H new ATOM 0 HA THR A 6 4.999 1.699 -12.316 1.00 15.02 H new ATOM 0 HB THR A 6 3.825 3.880 -13.073 1.00 20.11 H new ATOM 0 HG1 THR A 6 1.521 3.577 -13.280 1.00 1.25 H new ATOM 0 HG21 THR A 6 2.790 2.623 -14.991 1.00 43.31 H new ATOM 0 HG22 THR A 6 4.387 1.966 -14.563 1.00 43.31 H new ATOM 0 HG23 THR A 6 2.909 1.121 -14.045 1.00 43.31 H new ATOM 91 N ASP A 7 5.994 3.464 -10.857 1.00 1.55 N ATOM 92 CA ASP A 7 6.649 4.388 -9.930 1.00 42.22 C ATOM 93 C ASP A 7 5.987 5.765 -9.995 1.00 61.43 C ATOM 94 O ASP A 7 5.929 6.455 -8.982 1.00 72.45 O ATOM 95 CB ASP A 7 8.152 4.531 -10.229 1.00 24.52 C ATOM 96 CG ASP A 7 8.958 3.282 -9.892 1.00 24.51 C ATOM 97 OD1 ASP A 7 8.801 2.747 -8.779 1.00 5.02 O ATOM 98 OD2 ASP A 7 9.661 2.767 -10.794 1.00 41.15 O ATOM 0 H ASP A 7 6.618 3.094 -11.575 1.00 1.55 H new ATOM 0 HA ASP A 7 6.538 3.971 -8.929 1.00 42.22 H new ATOM 0 HB2 ASP A 7 8.284 4.765 -11.285 1.00 24.52 H new ATOM 0 HB3 ASP A 7 8.549 5.374 -9.663 1.00 24.52 H new ATOM 103 N GLU A 8 5.453 6.162 -11.157 1.00 63.00 N ATOM 104 CA GLU A 8 4.765 7.443 -11.345 1.00 74.44 C ATOM 105 C GLU A 8 3.547 7.584 -10.424 1.00 74.41 C ATOM 106 O GLU A 8 3.312 8.636 -9.834 1.00 1.42 O ATOM 107 CB GLU A 8 4.407 7.624 -12.830 1.00 15.13 C ATOM 108 CG GLU A 8 3.358 6.653 -13.380 1.00 25.33 C ATOM 109 CD GLU A 8 1.974 7.252 -13.633 1.00 10.32 C ATOM 110 OE1 GLU A 8 1.834 8.119 -14.522 1.00 3.51 O ATOM 111 OE2 GLU A 8 0.975 6.699 -13.119 1.00 10.00 O ATOM 0 H GLU A 8 5.488 5.594 -12.004 1.00 63.00 H new ATOM 0 HA GLU A 8 5.441 8.248 -11.058 1.00 74.44 H new ATOM 0 HB2 GLU A 8 4.046 8.642 -12.977 1.00 15.13 H new ATOM 0 HB3 GLU A 8 5.317 7.520 -13.420 1.00 15.13 H new ATOM 0 HG2 GLU A 8 3.730 6.235 -14.315 1.00 25.33 H new ATOM 0 HG3 GLU A 8 3.253 5.824 -12.680 1.00 25.33 H new ATOM 118 N LEU A 9 2.792 6.498 -10.277 1.00 61.22 N ATOM 119 CA LEU A 9 1.593 6.389 -9.494 1.00 3.40 C ATOM 120 C LEU A 9 1.962 6.361 -8.013 1.00 54.45 C ATOM 121 O LEU A 9 1.286 6.978 -7.192 1.00 13.11 O ATOM 122 CB LEU A 9 0.925 5.109 -9.998 1.00 44.52 C ATOM 123 CG LEU A 9 -0.258 4.676 -9.160 1.00 3.03 C ATOM 124 CD1 LEU A 9 -1.344 5.747 -9.033 1.00 30.23 C ATOM 125 CD2 LEU A 9 -0.809 3.388 -9.787 1.00 23.50 C ATOM 0 H LEU A 9 3.029 5.620 -10.738 1.00 61.22 H new ATOM 0 HA LEU A 9 0.905 7.228 -9.597 1.00 3.40 H new ATOM 0 HB2 LEU A 9 0.596 5.261 -11.026 1.00 44.52 H new ATOM 0 HB3 LEU A 9 1.662 4.306 -10.014 1.00 44.52 H new ATOM 0 HG LEU A 9 0.076 4.505 -8.136 1.00 3.03 H new ATOM 0 HD11 LEU A 9 -2.160 5.366 -8.419 1.00 30.23 H new ATOM 0 HD12 LEU A 9 -0.924 6.638 -8.566 1.00 30.23 H new ATOM 0 HD13 LEU A 9 -1.723 6.001 -10.023 1.00 30.23 H new ATOM 0 HD21 LEU A 9 -1.667 3.041 -9.211 1.00 23.50 H new ATOM 0 HD22 LEU A 9 -1.118 3.586 -10.813 1.00 23.50 H new ATOM 0 HD23 LEU A 9 -0.034 2.621 -9.783 1.00 23.50 H new ATOM 137 N LEU A 10 3.048 5.667 -7.668 1.00 31.43 N ATOM 138 CA LEU A 10 3.556 5.638 -6.304 1.00 64.31 C ATOM 139 C LEU A 10 4.056 7.015 -5.877 1.00 73.10 C ATOM 140 O LEU A 10 3.849 7.419 -4.731 1.00 2.45 O ATOM 141 CB LEU A 10 4.670 4.592 -6.172 1.00 22.32 C ATOM 142 CG LEU A 10 4.210 3.141 -6.396 1.00 61.54 C ATOM 143 CD1 LEU A 10 5.339 2.207 -5.968 1.00 62.41 C ATOM 144 CD2 LEU A 10 2.938 2.766 -5.631 1.00 32.44 C ATOM 0 H LEU A 10 3.595 5.113 -8.327 1.00 31.43 H new ATOM 0 HA LEU A 10 2.737 5.359 -5.641 1.00 64.31 H new ATOM 0 HB2 LEU A 10 5.457 4.825 -6.889 1.00 22.32 H new ATOM 0 HB3 LEU A 10 5.110 4.671 -5.178 1.00 22.32 H new ATOM 0 HG LEU A 10 3.972 3.042 -7.455 1.00 61.54 H new ATOM 0 HD11 LEU A 10 5.032 1.172 -6.119 1.00 62.41 H new ATOM 0 HD12 LEU A 10 6.228 2.413 -6.565 1.00 62.41 H new ATOM 0 HD13 LEU A 10 5.565 2.368 -4.914 1.00 62.41 H new ATOM 0 HD21 LEU A 10 2.679 1.728 -5.841 1.00 32.44 H new ATOM 0 HD22 LEU A 10 3.108 2.888 -4.561 1.00 32.44 H new ATOM 0 HD23 LEU A 10 2.120 3.415 -5.945 1.00 32.44 H new ATOM 156 N TRP A 11 4.700 7.747 -6.785 1.00 50.34 N ATOM 157 CA TRP A 11 5.240 9.069 -6.522 1.00 13.21 C ATOM 158 C TRP A 11 4.160 10.035 -6.031 1.00 3.43 C ATOM 159 O TRP A 11 4.430 10.824 -5.121 1.00 52.15 O ATOM 160 CB TRP A 11 5.969 9.598 -7.767 1.00 51.41 C ATOM 161 CG TRP A 11 7.460 9.491 -7.693 1.00 24.53 C ATOM 162 CD1 TRP A 11 8.260 8.654 -8.397 1.00 43.10 C ATOM 163 CD2 TRP A 11 8.327 10.126 -6.713 1.00 34.32 C ATOM 164 NE1 TRP A 11 9.573 8.815 -7.999 1.00 13.43 N ATOM 165 CE2 TRP A 11 9.664 9.685 -6.929 1.00 54.44 C ATOM 166 CE3 TRP A 11 8.083 10.936 -5.584 1.00 63.43 C ATOM 167 CZ2 TRP A 11 10.707 10.065 -6.074 1.00 32.43 C ATOM 168 CZ3 TRP A 11 9.122 11.297 -4.710 1.00 44.43 C ATOM 169 CH2 TRP A 11 10.436 10.873 -4.960 1.00 43.02 C ATOM 0 H TRP A 11 4.861 7.427 -7.740 1.00 50.34 H new ATOM 0 HA TRP A 11 5.967 8.990 -5.714 1.00 13.21 H new ATOM 0 HB2 TRP A 11 5.619 9.049 -8.641 1.00 51.41 H new ATOM 0 HB3 TRP A 11 5.697 10.643 -7.918 1.00 51.41 H new ATOM 0 HD1 TRP A 11 7.922 7.964 -9.156 1.00 43.10 H new ATOM 0 HE1 TRP A 11 10.370 8.353 -8.437 1.00 13.43 H new ATOM 0 HE3 TRP A 11 7.080 11.285 -5.388 1.00 63.43 H new ATOM 0 HZ2 TRP A 11 11.717 9.737 -6.272 1.00 32.43 H new ATOM 0 HZ3 TRP A 11 8.908 11.903 -3.842 1.00 44.43 H new ATOM 0 HH2 TRP A 11 11.236 11.168 -4.297 1.00 43.02 H new ATOM 180 N ALA A 12 2.935 9.943 -6.558 1.00 10.44 N ATOM 181 CA ALA A 12 1.822 10.806 -6.170 1.00 32.02 C ATOM 182 C ALA A 12 1.469 10.712 -4.675 1.00 14.24 C ATOM 183 O ALA A 12 0.852 11.638 -4.138 1.00 5.03 O ATOM 184 CB ALA A 12 0.604 10.477 -7.038 1.00 23.35 C ATOM 0 H ALA A 12 2.689 9.259 -7.273 1.00 10.44 H new ATOM 0 HA ALA A 12 2.135 11.837 -6.335 1.00 32.02 H new ATOM 0 HB1 ALA A 12 -0.230 11.118 -6.753 1.00 23.35 H new ATOM 0 HB2 ALA A 12 0.849 10.645 -8.087 1.00 23.35 H new ATOM 0 HB3 ALA A 12 0.325 9.433 -6.893 1.00 23.35 H new ATOM 190 N ILE A 13 1.858 9.641 -3.971 1.00 34.54 N ATOM 191 CA ILE A 13 1.682 9.562 -2.529 1.00 43.40 C ATOM 192 C ILE A 13 2.625 10.572 -1.870 1.00 30.10 C ATOM 193 O ILE A 13 2.173 11.372 -1.047 1.00 63.45 O ATOM 194 CB ILE A 13 1.869 8.120 -1.991 1.00 13.45 C ATOM 195 CG1 ILE A 13 0.714 7.172 -2.390 1.00 43.24 C ATOM 196 CG2 ILE A 13 1.860 8.178 -0.455 1.00 71.44 C ATOM 197 CD1 ILE A 13 0.756 6.619 -3.817 1.00 34.54 C ATOM 0 H ILE A 13 2.297 8.819 -4.385 1.00 34.54 H new ATOM 0 HA ILE A 13 0.655 9.821 -2.273 1.00 43.40 H new ATOM 0 HB ILE A 13 2.801 7.741 -2.412 1.00 13.45 H new ATOM 0 HG12 ILE A 13 0.706 6.331 -1.697 1.00 43.24 H new ATOM 0 HG13 ILE A 13 -0.228 7.704 -2.256 1.00 43.24 H new ATOM 0 HG21 ILE A 13 1.990 7.174 -0.052 1.00 71.44 H new ATOM 0 HG22 ILE A 13 2.674 8.816 -0.110 1.00 71.44 H new ATOM 0 HG23 ILE A 13 0.909 8.586 -0.112 1.00 71.44 H new ATOM 0 HD11 ILE A 13 -0.103 5.968 -3.980 1.00 34.54 H new ATOM 0 HD12 ILE A 13 0.726 7.445 -4.528 1.00 34.54 H new ATOM 0 HD13 ILE A 13 1.675 6.050 -3.960 1.00 34.54 H new ATOM 209 N LEU A 14 3.923 10.526 -2.191 1.00 30.53 N ATOM 210 CA LEU A 14 4.933 11.353 -1.544 1.00 23.14 C ATOM 211 C LEU A 14 4.799 12.813 -1.967 1.00 34.21 C ATOM 212 O LEU A 14 5.008 13.713 -1.153 1.00 32.42 O ATOM 213 CB LEU A 14 6.348 10.854 -1.869 1.00 53.22 C ATOM 214 CG LEU A 14 6.663 9.391 -1.508 1.00 61.42 C ATOM 215 CD1 LEU A 14 6.145 8.957 -0.133 1.00 72.20 C ATOM 216 CD2 LEU A 14 6.221 8.396 -2.569 1.00 75.24 C ATOM 0 H LEU A 14 4.298 9.909 -2.911 1.00 30.53 H new ATOM 0 HA LEU A 14 4.771 11.279 -0.469 1.00 23.14 H new ATOM 0 HB2 LEU A 14 6.519 10.985 -2.938 1.00 53.22 H new ATOM 0 HB3 LEU A 14 7.062 11.494 -1.351 1.00 53.22 H new ATOM 0 HG LEU A 14 7.752 9.375 -1.462 1.00 61.42 H new ATOM 0 HD11 LEU A 14 6.409 7.914 0.043 1.00 72.20 H new ATOM 0 HD12 LEU A 14 6.596 9.580 0.639 1.00 72.20 H new ATOM 0 HD13 LEU A 14 5.061 9.067 -0.101 1.00 72.20 H new ATOM 0 HD21 LEU A 14 6.474 7.386 -2.248 1.00 75.24 H new ATOM 0 HD22 LEU A 14 5.143 8.472 -2.712 1.00 75.24 H new ATOM 0 HD23 LEU A 14 6.728 8.616 -3.508 1.00 75.24 H new ATOM 228 N LYS A 15 4.380 13.066 -3.212 1.00 62.15 N ATOM 229 CA LYS A 15 3.984 14.398 -3.678 1.00 34.11 C ATOM 230 C LYS A 15 2.651 14.855 -3.062 1.00 14.44 C ATOM 231 O LYS A 15 2.140 15.910 -3.442 1.00 33.03 O ATOM 232 CB LYS A 15 3.986 14.459 -5.218 1.00 30.05 C ATOM 233 CG LYS A 15 5.325 14.062 -5.874 1.00 2.21 C ATOM 234 CD LYS A 15 6.537 14.900 -5.425 1.00 60.21 C ATOM 235 CE LYS A 15 7.874 14.319 -5.904 1.00 70.52 C ATOM 236 NZ LYS A 15 7.997 14.268 -7.371 1.00 64.34 N ATOM 0 H LYS A 15 4.306 12.345 -3.930 1.00 62.15 H new ATOM 0 HA LYS A 15 4.728 15.113 -3.327 1.00 34.11 H new ATOM 0 HB2 LYS A 15 3.202 13.802 -5.596 1.00 30.05 H new ATOM 0 HB3 LYS A 15 3.730 15.472 -5.529 1.00 30.05 H new ATOM 0 HG2 LYS A 15 5.525 13.013 -5.654 1.00 2.21 H new ATOM 0 HG3 LYS A 15 5.223 14.147 -6.956 1.00 2.21 H new ATOM 0 HD2 LYS A 15 6.431 15.916 -5.805 1.00 60.21 H new ATOM 0 HD3 LYS A 15 6.544 14.966 -4.337 1.00 60.21 H new ATOM 0 HE2 LYS A 15 8.689 14.919 -5.499 1.00 70.52 H new ATOM 0 HE3 LYS A 15 7.989 13.313 -5.502 1.00 70.52 H new ATOM 0 HZ1 LYS A 15 8.921 13.866 -7.628 1.00 64.34 H new ATOM 0 HZ2 LYS A 15 7.240 13.672 -7.762 1.00 64.34 H new ATOM 0 HZ3 LYS A 15 7.917 15.229 -7.760 1.00 64.34 H new ATOM 250 N ASP A 16 2.116 14.104 -2.093 1.00 21.24 N ATOM 251 CA ASP A 16 1.035 14.486 -1.191 1.00 42.23 C ATOM 252 C ASP A 16 -0.226 14.845 -1.967 1.00 52.04 C ATOM 253 O ASP A 16 -0.896 15.825 -1.646 1.00 71.55 O ATOM 254 CB ASP A 16 1.525 15.582 -0.234 1.00 3.25 C ATOM 255 CG ASP A 16 0.577 15.854 0.935 1.00 24.54 C ATOM 256 OD1 ASP A 16 0.478 14.982 1.830 1.00 51.23 O ATOM 257 OD2 ASP A 16 0.128 17.009 1.135 1.00 64.21 O ATOM 0 H ASP A 16 2.449 13.157 -1.910 1.00 21.24 H new ATOM 0 HA ASP A 16 0.748 13.638 -0.569 1.00 42.23 H new ATOM 0 HB2 ASP A 16 2.500 15.296 0.161 1.00 3.25 H new ATOM 0 HB3 ASP A 16 1.667 16.505 -0.796 1.00 3.25 H new ATOM 262 N GLU A 17 -0.525 14.063 -3.010 1.00 62.22 N ATOM 263 CA GLU A 17 -1.628 14.273 -3.910 1.00 22.21 C ATOM 264 C GLU A 17 -2.679 13.173 -3.722 1.00 31.41 C ATOM 265 O GLU A 17 -3.865 13.507 -3.716 1.00 1.41 O ATOM 266 CB GLU A 17 -1.021 14.347 -5.315 1.00 15.43 C ATOM 267 CG GLU A 17 -2.023 14.115 -6.431 1.00 75.33 C ATOM 268 CD GLU A 17 -3.216 15.080 -6.400 1.00 2.20 C ATOM 269 OE1 GLU A 17 -3.058 16.264 -6.002 1.00 14.34 O ATOM 270 OE2 GLU A 17 -4.333 14.654 -6.763 1.00 60.42 O ATOM 0 H GLU A 17 0.026 13.238 -3.246 1.00 62.22 H new ATOM 0 HA GLU A 17 -2.170 15.199 -3.718 1.00 22.21 H new ATOM 0 HB2 GLU A 17 -0.561 15.326 -5.450 1.00 15.43 H new ATOM 0 HB3 GLU A 17 -0.225 13.607 -5.395 1.00 15.43 H new ATOM 0 HG2 GLU A 17 -1.514 14.211 -7.390 1.00 75.33 H new ATOM 0 HG3 GLU A 17 -2.393 13.092 -6.368 1.00 75.33 H new ATOM 277 N LEU A 18 -2.290 11.903 -3.502 1.00 23.42 N ATOM 278 CA LEU A 18 -3.256 10.861 -3.117 1.00 25.52 C ATOM 279 C LEU A 18 -4.031 11.323 -1.892 1.00 2.42 C ATOM 280 O LEU A 18 -3.528 12.095 -1.072 1.00 10.32 O ATOM 281 CB LEU A 18 -2.594 9.524 -2.726 1.00 13.24 C ATOM 282 CG LEU A 18 -2.670 8.360 -3.731 1.00 3.13 C ATOM 283 CD1 LEU A 18 -4.091 7.853 -3.968 1.00 21.13 C ATOM 284 CD2 LEU A 18 -1.948 8.670 -5.042 1.00 73.32 C ATOM 0 H LEU A 18 -1.327 11.578 -3.583 1.00 23.42 H new ATOM 0 HA LEU A 18 -3.888 10.702 -3.991 1.00 25.52 H new ATOM 0 HB2 LEU A 18 -1.542 9.720 -2.520 1.00 13.24 H new ATOM 0 HB3 LEU A 18 -3.044 9.189 -1.792 1.00 13.24 H new ATOM 0 HG LEU A 18 -2.134 7.537 -3.258 1.00 3.13 H new ATOM 0 HD11 LEU A 18 -4.070 7.034 -4.686 1.00 21.13 H new ATOM 0 HD12 LEU A 18 -4.513 7.500 -3.027 1.00 21.13 H new ATOM 0 HD13 LEU A 18 -4.706 8.663 -4.360 1.00 21.13 H new ATOM 0 HD21 LEU A 18 -2.032 7.816 -5.715 1.00 73.32 H new ATOM 0 HD22 LEU A 18 -2.400 9.545 -5.508 1.00 73.32 H new ATOM 0 HD23 LEU A 18 -0.896 8.870 -4.839 1.00 73.32 H new ATOM 296 N SER A 19 -5.195 10.722 -1.701 1.00 65.20 N ATOM 297 CA SER A 19 -6.035 11.011 -0.549 1.00 23.21 C ATOM 298 C SER A 19 -5.942 9.877 0.466 1.00 31.11 C ATOM 299 O SER A 19 -5.233 8.894 0.245 1.00 35.43 O ATOM 300 CB SER A 19 -7.473 11.289 -1.004 1.00 42.35 C ATOM 301 OG SER A 19 -7.493 12.398 -1.878 1.00 33.14 O ATOM 0 H SER A 19 -5.582 10.024 -2.336 1.00 65.20 H new ATOM 0 HA SER A 19 -5.681 11.912 -0.048 1.00 23.21 H new ATOM 0 HB2 SER A 19 -7.881 10.412 -1.506 1.00 42.35 H new ATOM 0 HB3 SER A 19 -8.106 11.485 -0.139 1.00 42.35 H new ATOM 0 HG SER A 19 -8.413 12.570 -2.167 1.00 33.14 H new ATOM 307 N ASP A 20 -6.639 10.018 1.592 1.00 51.10 N ATOM 308 CA ASP A 20 -6.908 8.959 2.566 1.00 33.13 C ATOM 309 C ASP A 20 -7.513 7.751 1.857 1.00 71.12 C ATOM 310 O ASP A 20 -6.839 6.734 1.699 1.00 73.20 O ATOM 311 CB ASP A 20 -7.804 9.472 3.714 1.00 53.45 C ATOM 312 CG ASP A 20 -8.897 10.430 3.234 1.00 4.42 C ATOM 313 OD1 ASP A 20 -9.948 9.974 2.730 1.00 20.44 O ATOM 314 OD2 ASP A 20 -8.603 11.647 3.224 1.00 72.33 O ATOM 0 H ASP A 20 -7.050 10.911 1.863 1.00 51.10 H new ATOM 0 HA ASP A 20 -5.969 8.647 3.024 1.00 33.13 H new ATOM 0 HB2 ASP A 20 -8.267 8.622 4.214 1.00 53.45 H new ATOM 0 HB3 ASP A 20 -7.184 9.978 4.454 1.00 53.45 H new ATOM 319 N ALA A 21 -8.751 7.893 1.386 1.00 74.14 N ATOM 320 CA ALA A 21 -9.540 6.870 0.728 1.00 25.24 C ATOM 321 C ALA A 21 -8.777 6.257 -0.435 1.00 74.01 C ATOM 322 O ALA A 21 -8.767 5.042 -0.589 1.00 50.43 O ATOM 323 CB ALA A 21 -10.829 7.516 0.218 1.00 53.42 C ATOM 0 H ALA A 21 -9.253 8.778 1.461 1.00 74.14 H new ATOM 0 HA ALA A 21 -9.764 6.073 1.437 1.00 25.24 H new ATOM 0 HB1 ALA A 21 -11.440 6.764 -0.282 1.00 53.42 H new ATOM 0 HB2 ALA A 21 -11.383 7.934 1.058 1.00 53.42 H new ATOM 0 HB3 ALA A 21 -10.584 8.311 -0.486 1.00 53.42 H new ATOM 329 N GLU A 22 -8.157 7.103 -1.253 1.00 45.23 N ATOM 330 CA GLU A 22 -7.534 6.680 -2.490 1.00 3.14 C ATOM 331 C GLU A 22 -6.216 5.943 -2.220 1.00 30.13 C ATOM 332 O GLU A 22 -5.953 4.936 -2.869 1.00 35.24 O ATOM 333 CB GLU A 22 -7.336 7.899 -3.395 1.00 75.01 C ATOM 334 CG GLU A 22 -8.644 8.500 -3.935 1.00 44.01 C ATOM 335 CD GLU A 22 -8.609 8.507 -5.462 1.00 32.34 C ATOM 336 OE1 GLU A 22 -8.949 7.458 -6.062 1.00 71.11 O ATOM 337 OE2 GLU A 22 -8.119 9.507 -6.036 1.00 34.12 O ATOM 0 H GLU A 22 -8.076 8.103 -1.070 1.00 45.23 H new ATOM 0 HA GLU A 22 -8.185 5.971 -3.002 1.00 3.14 H new ATOM 0 HB2 GLU A 22 -6.798 8.667 -2.839 1.00 75.01 H new ATOM 0 HB3 GLU A 22 -6.705 7.614 -4.237 1.00 75.01 H new ATOM 0 HG2 GLU A 22 -9.496 7.919 -3.583 1.00 44.01 H new ATOM 0 HG3 GLU A 22 -8.773 9.515 -3.559 1.00 44.01 H new ATOM 344 N ALA A 23 -5.377 6.390 -1.272 1.00 42.53 N ATOM 345 CA ALA A 23 -4.126 5.684 -0.993 1.00 64.12 C ATOM 346 C ALA A 23 -4.429 4.299 -0.429 1.00 34.12 C ATOM 347 O ALA A 23 -3.763 3.326 -0.785 1.00 33.41 O ATOM 348 CB ALA A 23 -3.254 6.461 -0.004 1.00 14.41 C ATOM 0 H ALA A 23 -5.540 7.218 -0.700 1.00 42.53 H new ATOM 0 HA ALA A 23 -3.577 5.590 -1.930 1.00 64.12 H new ATOM 0 HB1 ALA A 23 -2.333 5.908 0.181 1.00 14.41 H new ATOM 0 HB2 ALA A 23 -3.013 7.439 -0.421 1.00 14.41 H new ATOM 0 HB3 ALA A 23 -3.794 6.590 0.934 1.00 14.41 H new ATOM 354 N ASN A 24 -5.451 4.241 0.433 1.00 25.24 N ATOM 355 CA ASN A 24 -6.012 3.013 0.975 1.00 14.04 C ATOM 356 C ASN A 24 -6.478 2.143 -0.192 1.00 51.32 C ATOM 357 O ASN A 24 -6.073 0.986 -0.278 1.00 55.13 O ATOM 358 CB ASN A 24 -7.174 3.321 1.943 1.00 30.11 C ATOM 359 CG ASN A 24 -6.824 3.370 3.435 1.00 61.12 C ATOM 360 OD1 ASN A 24 -5.738 2.999 3.874 1.00 61.53 O ATOM 361 ND2 ASN A 24 -7.750 3.827 4.266 1.00 43.42 N ATOM 0 H ASN A 24 -5.920 5.078 0.779 1.00 25.24 H new ATOM 0 HA ASN A 24 -5.255 2.478 1.548 1.00 14.04 H new ATOM 0 HB2 ASN A 24 -7.607 4.281 1.662 1.00 30.11 H new ATOM 0 HB3 ASN A 24 -7.948 2.567 1.798 1.00 30.11 H new ATOM 0 HD21 ASN A 24 -7.560 3.870 5.267 1.00 43.42 H new ATOM 0 HD22 ASN A 24 -8.652 4.136 3.904 1.00 43.42 H new ATOM 368 N ALA A 25 -7.281 2.701 -1.107 1.00 41.01 N ATOM 369 CA ALA A 25 -7.794 2.003 -2.274 1.00 53.12 C ATOM 370 C ALA A 25 -6.680 1.367 -3.079 1.00 51.13 C ATOM 371 O ALA A 25 -6.791 0.178 -3.360 1.00 33.31 O ATOM 372 CB ALA A 25 -8.621 2.906 -3.185 1.00 71.03 C ATOM 0 H ALA A 25 -7.594 3.670 -1.048 1.00 41.01 H new ATOM 0 HA ALA A 25 -8.448 1.223 -1.885 1.00 53.12 H new ATOM 0 HB1 ALA A 25 -8.978 2.332 -4.040 1.00 71.03 H new ATOM 0 HB2 ALA A 25 -9.473 3.300 -2.631 1.00 71.03 H new ATOM 0 HB3 ALA A 25 -8.003 3.733 -3.536 1.00 71.03 H new ATOM 378 N LEU A 26 -5.626 2.108 -3.453 1.00 72.23 N ATOM 379 CA LEU A 26 -4.558 1.566 -4.284 1.00 13.44 C ATOM 380 C LEU A 26 -3.855 0.360 -3.636 1.00 12.24 C ATOM 381 O LEU A 26 -3.313 -0.475 -4.363 1.00 60.24 O ATOM 382 CB LEU A 26 -3.549 2.674 -4.628 1.00 61.32 C ATOM 383 CG LEU A 26 -4.072 3.823 -5.519 1.00 53.02 C ATOM 384 CD1 LEU A 26 -2.943 4.820 -5.795 1.00 5.31 C ATOM 385 CD2 LEU A 26 -4.644 3.347 -6.858 1.00 4.51 C ATOM 0 H LEU A 26 -5.497 3.085 -3.189 1.00 72.23 H new ATOM 0 HA LEU A 26 -5.013 1.196 -5.203 1.00 13.44 H new ATOM 0 HB2 LEU A 26 -3.182 3.104 -3.696 1.00 61.32 H new ATOM 0 HB3 LEU A 26 -2.695 2.216 -5.126 1.00 61.32 H new ATOM 0 HG LEU A 26 -4.886 4.290 -4.965 1.00 53.02 H new ATOM 0 HD11 LEU A 26 -3.317 5.628 -6.424 1.00 5.31 H new ATOM 0 HD12 LEU A 26 -2.582 5.231 -4.852 1.00 5.31 H new ATOM 0 HD13 LEU A 26 -2.125 4.312 -6.306 1.00 5.31 H new ATOM 0 HD21 LEU A 26 -4.992 4.206 -7.431 1.00 4.51 H new ATOM 0 HD22 LEU A 26 -3.869 2.826 -7.420 1.00 4.51 H new ATOM 0 HD23 LEU A 26 -5.479 2.670 -6.677 1.00 4.51 H new ATOM 397 N VAL A 27 -3.901 0.207 -2.309 1.00 53.11 N ATOM 398 CA VAL A 27 -3.445 -0.997 -1.615 1.00 4.13 C ATOM 399 C VAL A 27 -4.536 -2.074 -1.658 1.00 41.32 C ATOM 400 O VAL A 27 -4.265 -3.205 -2.074 1.00 70.44 O ATOM 401 CB VAL A 27 -3.021 -0.628 -0.179 1.00 21.12 C ATOM 402 CG1 VAL A 27 -2.680 -1.850 0.681 1.00 20.15 C ATOM 403 CG2 VAL A 27 -1.791 0.285 -0.221 1.00 40.42 C ATOM 0 H VAL A 27 -4.261 0.926 -1.681 1.00 53.11 H new ATOM 0 HA VAL A 27 -2.572 -1.417 -2.115 1.00 4.13 H new ATOM 0 HB VAL A 27 -3.876 -0.126 0.274 1.00 21.12 H new ATOM 0 HG11 VAL A 27 -2.389 -1.523 1.679 1.00 20.15 H new ATOM 0 HG12 VAL A 27 -3.552 -2.500 0.752 1.00 20.15 H new ATOM 0 HG13 VAL A 27 -1.855 -2.398 0.224 1.00 20.15 H new ATOM 0 HG21 VAL A 27 -1.495 0.543 0.796 1.00 40.42 H new ATOM 0 HG22 VAL A 27 -0.970 -0.233 -0.718 1.00 40.42 H new ATOM 0 HG23 VAL A 27 -2.032 1.195 -0.771 1.00 40.42 H new ATOM 413 N TRP A 28 -5.767 -1.733 -1.259 1.00 61.11 N ATOM 414 CA TRP A 28 -6.912 -2.638 -1.221 1.00 50.34 C ATOM 415 C TRP A 28 -7.079 -3.370 -2.562 1.00 54.34 C ATOM 416 O TRP A 28 -7.242 -4.599 -2.582 1.00 12.24 O ATOM 417 CB TRP A 28 -8.182 -1.847 -0.851 1.00 21.45 C ATOM 418 CG TRP A 28 -8.266 -1.206 0.516 1.00 31.55 C ATOM 419 CD1 TRP A 28 -7.560 -1.554 1.619 1.00 1.24 C ATOM 420 CD2 TRP A 28 -9.103 -0.083 0.946 1.00 70.05 C ATOM 421 NE1 TRP A 28 -7.949 -0.782 2.698 1.00 11.21 N ATOM 422 CE2 TRP A 28 -8.909 0.132 2.342 1.00 2.45 C ATOM 423 CE3 TRP A 28 -10.005 0.788 0.300 1.00 4.31 C ATOM 424 CZ2 TRP A 28 -9.607 1.110 3.068 1.00 4.12 C ATOM 425 CZ3 TRP A 28 -10.646 1.828 0.997 1.00 13.11 C ATOM 426 CH2 TRP A 28 -10.469 1.980 2.383 1.00 72.41 C ATOM 0 H TRP A 28 -5.996 -0.790 -0.945 1.00 61.11 H new ATOM 0 HA TRP A 28 -6.740 -3.398 -0.459 1.00 50.34 H new ATOM 0 HB2 TRP A 28 -8.309 -1.059 -1.594 1.00 21.45 H new ATOM 0 HB3 TRP A 28 -9.033 -2.521 -0.953 1.00 21.45 H new ATOM 0 HD1 TRP A 28 -6.803 -2.323 1.651 1.00 1.24 H new ATOM 0 HE1 TRP A 28 -7.570 -0.879 3.640 1.00 11.21 H new ATOM 0 HE3 TRP A 28 -10.208 0.653 -0.752 1.00 4.31 H new ATOM 0 HZ2 TRP A 28 -9.482 1.192 4.138 1.00 4.12 H new ATOM 0 HZ3 TRP A 28 -11.281 2.518 0.461 1.00 13.11 H new ATOM 0 HH2 TRP A 28 -10.992 2.760 2.916 1.00 72.41 H new ATOM 437 N GLN A 29 -6.983 -2.638 -3.681 1.00 15.31 N ATOM 438 CA GLN A 29 -7.102 -3.202 -5.025 1.00 2.41 C ATOM 439 C GLN A 29 -6.009 -4.240 -5.315 1.00 61.14 C ATOM 440 O GLN A 29 -6.280 -5.306 -5.874 1.00 34.42 O ATOM 441 CB GLN A 29 -7.118 -2.076 -6.080 1.00 73.41 C ATOM 442 CG GLN A 29 -5.859 -1.214 -6.140 1.00 64.41 C ATOM 443 CD GLN A 29 -5.843 -0.138 -7.217 1.00 71.33 C ATOM 444 OE1 GLN A 29 -4.809 0.090 -7.845 1.00 51.10 O ATOM 445 NE2 GLN A 29 -6.931 0.565 -7.449 1.00 32.04 N ATOM 0 H GLN A 29 -6.819 -1.631 -3.674 1.00 15.31 H new ATOM 0 HA GLN A 29 -8.051 -3.734 -5.081 1.00 2.41 H new ATOM 0 HB2 GLN A 29 -7.278 -2.523 -7.061 1.00 73.41 H new ATOM 0 HB3 GLN A 29 -7.972 -1.428 -5.882 1.00 73.41 H new ATOM 0 HG2 GLN A 29 -5.724 -0.733 -5.171 1.00 64.41 H new ATOM 0 HG3 GLN A 29 -5.001 -1.868 -6.294 1.00 64.41 H new ATOM 0 HE21 GLN A 29 -7.785 0.371 -6.925 1.00 32.04 H new ATOM 0 HE22 GLN A 29 -6.921 1.304 -8.152 1.00 32.04 H new ATOM 454 N ALA A 30 -4.762 -3.916 -4.964 1.00 33.12 N ATOM 455 CA ALA A 30 -3.584 -4.703 -5.294 1.00 61.21 C ATOM 456 C ALA A 30 -3.626 -6.053 -4.591 1.00 42.32 C ATOM 457 O ALA A 30 -3.288 -7.063 -5.216 1.00 2.32 O ATOM 458 CB ALA A 30 -2.317 -3.924 -4.940 1.00 73.11 C ATOM 0 H ALA A 30 -4.544 -3.076 -4.428 1.00 33.12 H new ATOM 0 HA ALA A 30 -3.574 -4.894 -6.367 1.00 61.21 H new ATOM 0 HB1 ALA A 30 -1.441 -4.522 -5.191 1.00 73.11 H new ATOM 0 HB2 ALA A 30 -2.294 -2.991 -5.504 1.00 73.11 H new ATOM 0 HB3 ALA A 30 -2.312 -3.703 -3.873 1.00 73.11 H new ATOM 464 N LEU A 31 -4.075 -6.083 -3.333 1.00 2.41 N ATOM 465 CA LEU A 31 -4.457 -7.315 -2.654 1.00 14.24 C ATOM 466 C LEU A 31 -5.540 -7.986 -3.482 1.00 20.45 C ATOM 467 O LEU A 31 -5.283 -9.015 -4.097 1.00 14.23 O ATOM 468 CB LEU A 31 -4.971 -7.020 -1.237 1.00 33.10 C ATOM 469 CG LEU A 31 -3.949 -7.134 -0.099 1.00 0.42 C ATOM 470 CD1 LEU A 31 -2.570 -6.594 -0.411 1.00 2.33 C ATOM 471 CD2 LEU A 31 -4.464 -6.312 1.076 1.00 4.22 C ATOM 0 H LEU A 31 -4.183 -5.247 -2.758 1.00 2.41 H new ATOM 0 HA LEU A 31 -3.592 -7.971 -2.557 1.00 14.24 H new ATOM 0 HB2 LEU A 31 -5.381 -6.010 -1.227 1.00 33.10 H new ATOM 0 HB3 LEU A 31 -5.795 -7.701 -1.025 1.00 33.10 H new ATOM 0 HG LEU A 31 -3.847 -8.202 0.096 1.00 0.42 H new ATOM 0 HD11 LEU A 31 -1.924 -6.722 0.458 1.00 2.33 H new ATOM 0 HD12 LEU A 31 -2.150 -7.136 -1.259 1.00 2.33 H new ATOM 0 HD13 LEU A 31 -2.641 -5.535 -0.657 1.00 2.33 H new ATOM 0 HD21 LEU A 31 -3.756 -6.375 1.902 1.00 4.22 H new ATOM 0 HD22 LEU A 31 -4.575 -5.271 0.771 1.00 4.22 H new ATOM 0 HD23 LEU A 31 -5.430 -6.701 1.396 1.00 4.22 H new ATOM 483 N GLY A 32 -6.729 -7.387 -3.551 1.00 31.00 N ATOM 484 CA GLY A 32 -7.861 -7.955 -4.267 1.00 33.05 C ATOM 485 C GLY A 32 -9.214 -7.628 -3.643 1.00 31.15 C ATOM 486 O GLY A 32 -10.226 -7.985 -4.248 1.00 50.24 O ATOM 0 H GLY A 32 -6.930 -6.490 -3.108 1.00 31.00 H new ATOM 0 HA2 GLY A 32 -7.848 -7.591 -5.294 1.00 33.05 H new ATOM 0 HA3 GLY A 32 -7.744 -9.038 -4.311 1.00 33.05 H new ATOM 490 N TYR A 33 -9.250 -6.940 -2.494 1.00 61.21 N ATOM 491 CA TYR A 33 -10.452 -6.469 -1.803 1.00 50.12 C ATOM 492 C TYR A 33 -11.083 -5.295 -2.560 1.00 41.11 C ATOM 493 O TYR A 33 -11.146 -4.161 -2.077 1.00 13.33 O ATOM 494 CB TYR A 33 -10.132 -6.043 -0.372 1.00 2.13 C ATOM 495 CG TYR A 33 -9.556 -7.072 0.574 1.00 45.23 C ATOM 496 CD1 TYR A 33 -8.181 -7.345 0.520 1.00 52.43 C ATOM 497 CD2 TYR A 33 -10.333 -7.599 1.624 1.00 50.21 C ATOM 498 CE1 TYR A 33 -7.579 -8.120 1.518 1.00 4.11 C ATOM 499 CE2 TYR A 33 -9.728 -8.346 2.649 1.00 43.31 C ATOM 500 CZ TYR A 33 -8.338 -8.585 2.605 1.00 43.14 C ATOM 501 OH TYR A 33 -7.679 -9.211 3.606 1.00 10.51 O ATOM 0 H TYR A 33 -8.396 -6.685 -1.998 1.00 61.21 H new ATOM 0 HA TYR A 33 -11.160 -7.297 -1.770 1.00 50.12 H new ATOM 0 HB2 TYR A 33 -9.431 -5.210 -0.423 1.00 2.13 H new ATOM 0 HB3 TYR A 33 -11.050 -5.660 0.073 1.00 2.13 H new ATOM 0 HD1 TYR A 33 -7.586 -6.956 -0.293 1.00 52.43 H new ATOM 0 HD2 TYR A 33 -11.399 -7.428 1.641 1.00 50.21 H new ATOM 0 HE1 TYR A 33 -6.528 -8.361 1.452 1.00 4.11 H new ATOM 0 HE2 TYR A 33 -10.322 -8.734 3.463 1.00 43.31 H new ATOM 0 HH TYR A 33 -7.485 -8.570 4.321 1.00 10.51 H new ATOM 511 N VAL A 34 -11.514 -5.579 -3.779 1.00 73.01 N ATOM 512 CA VAL A 34 -12.191 -4.659 -4.676 1.00 4.03 C ATOM 513 C VAL A 34 -13.675 -4.752 -4.369 1.00 61.20 C ATOM 514 O VAL A 34 -14.164 -5.834 -4.055 1.00 52.10 O ATOM 515 CB VAL A 34 -11.858 -5.065 -6.121 1.00 52.23 C ATOM 516 CG1 VAL A 34 -12.659 -4.337 -7.203 1.00 12.52 C ATOM 517 CG2 VAL A 34 -10.366 -4.807 -6.356 1.00 42.14 C ATOM 0 H VAL A 34 -11.394 -6.505 -4.189 1.00 73.01 H new ATOM 0 HA VAL A 34 -11.873 -3.624 -4.546 1.00 4.03 H new ATOM 0 HB VAL A 34 -12.129 -6.117 -6.213 1.00 52.23 H new ATOM 0 HG11 VAL A 34 -12.351 -4.694 -8.186 1.00 12.52 H new ATOM 0 HG12 VAL A 34 -13.722 -4.533 -7.063 1.00 12.52 H new ATOM 0 HG13 VAL A 34 -12.476 -3.265 -7.132 1.00 12.52 H new ATOM 0 HG21 VAL A 34 -10.104 -5.088 -7.376 1.00 42.14 H new ATOM 0 HG22 VAL A 34 -10.151 -3.749 -6.204 1.00 42.14 H new ATOM 0 HG23 VAL A 34 -9.779 -5.400 -5.655 1.00 42.14 H new ATOM 527 N TRP A 35 -14.389 -3.640 -4.446 1.00 32.05 N ATOM 528 CA TRP A 35 -15.824 -3.634 -4.277 1.00 73.05 C ATOM 529 C TRP A 35 -16.496 -4.295 -5.478 1.00 1.43 C ATOM 530 O TRP A 35 -16.164 -4.016 -6.637 1.00 43.32 O ATOM 531 CB TRP A 35 -16.300 -2.202 -4.093 1.00 33.11 C ATOM 532 CG TRP A 35 -17.778 -2.089 -3.978 1.00 13.44 C ATOM 533 CD1 TRP A 35 -18.603 -1.577 -4.916 1.00 71.13 C ATOM 534 CD2 TRP A 35 -18.627 -2.546 -2.883 1.00 64.55 C ATOM 535 NE1 TRP A 35 -19.898 -1.650 -4.467 1.00 54.20 N ATOM 536 CE2 TRP A 35 -19.974 -2.218 -3.214 1.00 34.52 C ATOM 537 CE3 TRP A 35 -18.389 -3.167 -1.634 1.00 24.33 C ATOM 538 CZ2 TRP A 35 -21.037 -2.478 -2.342 1.00 40.45 C ATOM 539 CZ3 TRP A 35 -19.454 -3.448 -0.763 1.00 54.25 C ATOM 540 CH2 TRP A 35 -20.769 -3.106 -1.118 1.00 13.32 C ATOM 0 H TRP A 35 -13.986 -2.721 -4.627 1.00 32.05 H new ATOM 0 HA TRP A 35 -16.096 -4.206 -3.390 1.00 73.05 H new ATOM 0 HB2 TRP A 35 -15.839 -1.784 -3.198 1.00 33.11 H new ATOM 0 HB3 TRP A 35 -15.960 -1.601 -4.937 1.00 33.11 H new ATOM 0 HD1 TRP A 35 -18.293 -1.174 -5.869 1.00 71.13 H new ATOM 0 HE1 TRP A 35 -20.706 -1.323 -4.997 1.00 54.20 H new ATOM 0 HE3 TRP A 35 -17.380 -3.427 -1.348 1.00 24.33 H new ATOM 0 HZ2 TRP A 35 -22.046 -2.200 -2.607 1.00 40.45 H new ATOM 0 HZ3 TRP A 35 -19.261 -3.929 0.184 1.00 54.25 H new ATOM 0 HH2 TRP A 35 -21.581 -3.329 -0.442 1.00 13.32 H new ATOM 551 N ASP A 36 -17.467 -5.152 -5.198 1.00 25.34 N ATOM 552 CA ASP A 36 -18.247 -5.893 -6.170 1.00 32.43 C ATOM 553 C ASP A 36 -19.674 -5.380 -6.098 1.00 32.33 C ATOM 554 O ASP A 36 -20.495 -5.893 -5.343 1.00 75.31 O ATOM 555 CB ASP A 36 -18.116 -7.410 -5.924 1.00 31.33 C ATOM 556 CG ASP A 36 -18.108 -8.222 -7.218 1.00 20.52 C ATOM 557 OD1 ASP A 36 -17.583 -7.727 -8.248 1.00 31.44 O ATOM 558 OD2 ASP A 36 -18.546 -9.389 -7.210 1.00 42.31 O ATOM 0 H ASP A 36 -17.743 -5.357 -4.238 1.00 25.34 H new ATOM 0 HA ASP A 36 -17.880 -5.737 -7.185 1.00 32.43 H new ATOM 0 HB2 ASP A 36 -17.197 -7.606 -5.372 1.00 31.33 H new ATOM 0 HB3 ASP A 36 -18.942 -7.744 -5.296 1.00 31.33 H new ATOM 563 N GLU A 37 -19.954 -4.318 -6.851 1.00 52.23 N ATOM 564 CA GLU A 37 -21.235 -3.617 -6.859 1.00 62.22 C ATOM 565 C GLU A 37 -22.395 -4.564 -7.197 1.00 2.40 C ATOM 566 O GLU A 37 -23.497 -4.370 -6.688 1.00 53.34 O ATOM 567 CB GLU A 37 -21.129 -2.443 -7.848 1.00 14.12 C ATOM 568 CG GLU A 37 -22.444 -1.676 -8.082 1.00 21.22 C ATOM 569 CD GLU A 37 -22.396 -0.674 -9.237 1.00 61.52 C ATOM 570 OE1 GLU A 37 -21.302 -0.329 -9.737 1.00 24.30 O ATOM 571 OE2 GLU A 37 -23.488 -0.257 -9.692 1.00 35.24 O ATOM 0 H GLU A 37 -19.274 -3.910 -7.492 1.00 52.23 H new ATOM 0 HA GLU A 37 -21.456 -3.230 -5.864 1.00 62.22 H new ATOM 0 HB2 GLU A 37 -20.377 -1.744 -7.481 1.00 14.12 H new ATOM 0 HB3 GLU A 37 -20.771 -2.823 -8.805 1.00 14.12 H new ATOM 0 HG2 GLU A 37 -23.240 -2.395 -8.274 1.00 21.22 H new ATOM 0 HG3 GLU A 37 -22.708 -1.145 -7.167 1.00 21.22 H new ATOM 578 N ALA A 38 -22.141 -5.605 -7.993 1.00 24.33 N ATOM 579 CA ALA A 38 -23.119 -6.624 -8.349 1.00 24.03 C ATOM 580 C ALA A 38 -23.632 -7.294 -7.083 1.00 44.15 C ATOM 581 O ALA A 38 -24.841 -7.390 -6.862 1.00 42.11 O ATOM 582 CB ALA A 38 -22.478 -7.683 -9.254 1.00 62.33 C ATOM 0 H ALA A 38 -21.226 -5.763 -8.416 1.00 24.33 H new ATOM 0 HA ALA A 38 -23.944 -6.151 -8.882 1.00 24.03 H new ATOM 0 HB1 ALA A 38 -23.220 -8.438 -9.512 1.00 62.33 H new ATOM 0 HB2 ALA A 38 -22.110 -7.209 -10.164 1.00 62.33 H new ATOM 0 HB3 ALA A 38 -21.647 -8.155 -8.730 1.00 62.33 H new ATOM 588 N GLN A 39 -22.697 -7.745 -6.248 1.00 61.11 N ATOM 589 CA GLN A 39 -22.999 -8.518 -5.064 1.00 34.55 C ATOM 590 C GLN A 39 -23.204 -7.625 -3.837 1.00 3.22 C ATOM 591 O GLN A 39 -23.662 -8.101 -2.797 1.00 42.34 O ATOM 592 CB GLN A 39 -21.860 -9.498 -4.796 1.00 20.52 C ATOM 593 CG GLN A 39 -21.672 -10.573 -5.862 1.00 44.12 C ATOM 594 CD GLN A 39 -20.700 -11.626 -5.342 1.00 3.21 C ATOM 595 OE1 GLN A 39 -21.074 -12.486 -4.547 1.00 12.41 O ATOM 596 NE2 GLN A 39 -19.435 -11.540 -5.698 1.00 20.50 N ATOM 0 H GLN A 39 -21.700 -7.577 -6.384 1.00 61.11 H new ATOM 0 HA GLN A 39 -23.929 -9.057 -5.243 1.00 34.55 H new ATOM 0 HB2 GLN A 39 -20.931 -8.935 -4.701 1.00 20.52 H new ATOM 0 HB3 GLN A 39 -22.038 -9.985 -3.837 1.00 20.52 H new ATOM 0 HG2 GLN A 39 -22.630 -11.033 -6.105 1.00 44.12 H new ATOM 0 HG3 GLN A 39 -21.289 -10.129 -6.781 1.00 44.12 H new ATOM 0 HE21 GLN A 39 -19.139 -10.821 -6.359 1.00 20.50 H new ATOM 0 HE22 GLN A 39 -18.751 -12.192 -5.313 1.00 20.50 H new ATOM 605 N SER A 40 -22.846 -6.347 -3.939 1.00 12.43 N ATOM 606 CA SER A 40 -22.651 -5.419 -2.849 1.00 42.51 C ATOM 607 C SER A 40 -21.810 -6.030 -1.723 1.00 13.33 C ATOM 608 O SER A 40 -22.237 -6.058 -0.568 1.00 72.11 O ATOM 609 CB SER A 40 -23.985 -4.838 -2.377 1.00 72.02 C ATOM 610 OG SER A 40 -24.739 -4.327 -3.463 1.00 25.12 O ATOM 0 H SER A 40 -22.676 -5.913 -4.846 1.00 12.43 H new ATOM 0 HA SER A 40 -22.067 -4.576 -3.217 1.00 42.51 H new ATOM 0 HB2 SER A 40 -24.559 -5.610 -1.865 1.00 72.02 H new ATOM 0 HB3 SER A 40 -23.802 -4.044 -1.653 1.00 72.02 H new ATOM 0 HG SER A 40 -25.587 -3.964 -3.131 1.00 25.12 H new ATOM 616 N CYS A 41 -20.615 -6.523 -2.057 1.00 63.34 N ATOM 617 CA CYS A 41 -19.630 -6.957 -1.071 1.00 74.10 C ATOM 618 C CYS A 41 -18.210 -6.716 -1.591 1.00 33.22 C ATOM 619 O CYS A 41 -18.019 -6.364 -2.754 1.00 20.51 O ATOM 620 CB CYS A 41 -19.884 -8.420 -0.679 1.00 21.41 C ATOM 621 SG CYS A 41 -19.925 -9.546 -2.092 1.00 3.35 S ATOM 0 H CYS A 41 -20.305 -6.632 -3.023 1.00 63.34 H new ATOM 0 HA CYS A 41 -19.734 -6.362 -0.163 1.00 74.10 H new ATOM 0 HB2 CYS A 41 -19.105 -8.744 0.011 1.00 21.41 H new ATOM 0 HB3 CYS A 41 -20.831 -8.486 -0.144 1.00 21.41 H new ATOM 0 HG CYS A 41 -20.141 -10.758 -1.675 1.00 3.35 H new ATOM 627 N TRP A 42 -17.203 -6.884 -0.737 1.00 52.31 N ATOM 628 CA TRP A 42 -15.796 -6.845 -1.115 1.00 14.31 C ATOM 629 C TRP A 42 -15.420 -8.191 -1.731 1.00 3.30 C ATOM 630 O TRP A 42 -15.930 -9.235 -1.313 1.00 73.22 O ATOM 631 CB TRP A 42 -14.956 -6.563 0.138 1.00 61.04 C ATOM 632 CG TRP A 42 -15.301 -5.261 0.794 1.00 42.43 C ATOM 633 CD1 TRP A 42 -16.003 -5.101 1.937 1.00 12.10 C ATOM 634 CD2 TRP A 42 -15.059 -3.918 0.293 1.00 22.14 C ATOM 635 NE1 TRP A 42 -16.256 -3.762 2.149 1.00 21.04 N ATOM 636 CE2 TRP A 42 -15.693 -2.986 1.165 1.00 12.54 C ATOM 637 CE3 TRP A 42 -14.402 -3.406 -0.841 1.00 44.44 C ATOM 638 CZ2 TRP A 42 -15.698 -1.610 0.911 1.00 44.21 C ATOM 639 CZ3 TRP A 42 -14.368 -2.025 -1.089 1.00 41.32 C ATOM 640 CH2 TRP A 42 -15.028 -1.136 -0.227 1.00 11.44 C ATOM 0 H TRP A 42 -17.348 -7.055 0.258 1.00 52.31 H new ATOM 0 HA TRP A 42 -15.609 -6.058 -1.846 1.00 14.31 H new ATOM 0 HB2 TRP A 42 -15.098 -7.373 0.854 1.00 61.04 H new ATOM 0 HB3 TRP A 42 -13.900 -6.558 -0.133 1.00 61.04 H new ATOM 0 HD1 TRP A 42 -16.319 -5.903 2.588 1.00 12.10 H new ATOM 0 HE1 TRP A 42 -16.792 -3.395 2.935 1.00 21.04 H new ATOM 0 HE3 TRP A 42 -13.918 -4.084 -1.529 1.00 44.44 H new ATOM 0 HZ2 TRP A 42 -16.206 -0.928 1.576 1.00 44.21 H new ATOM 0 HZ3 TRP A 42 -13.832 -1.645 -1.946 1.00 41.32 H new ATOM 0 HH2 TRP A 42 -15.020 -0.078 -0.441 1.00 11.44 H new ATOM 651 N LYS A 43 -14.523 -8.207 -2.719 1.00 64.45 N ATOM 652 CA LYS A 43 -14.053 -9.457 -3.298 1.00 62.31 C ATOM 653 C LYS A 43 -13.022 -10.068 -2.384 1.00 71.51 C ATOM 654 O LYS A 43 -12.080 -9.397 -1.975 1.00 25.44 O ATOM 655 CB LYS A 43 -13.521 -9.260 -4.716 1.00 43.25 C ATOM 656 CG LYS A 43 -14.720 -8.981 -5.625 1.00 63.44 C ATOM 657 CD LYS A 43 -14.466 -9.318 -7.086 1.00 1.44 C ATOM 658 CE LYS A 43 -13.513 -8.325 -7.749 1.00 61.34 C ATOM 659 NZ LYS A 43 -13.586 -8.399 -9.226 1.00 73.12 N ATOM 0 H LYS A 43 -14.112 -7.369 -3.130 1.00 64.45 H new ATOM 0 HA LYS A 43 -14.893 -10.146 -3.388 1.00 62.31 H new ATOM 0 HB2 LYS A 43 -12.815 -8.430 -4.748 1.00 43.25 H new ATOM 0 HB3 LYS A 43 -12.985 -10.148 -5.051 1.00 43.25 H new ATOM 0 HG2 LYS A 43 -15.576 -9.556 -5.271 1.00 63.44 H new ATOM 0 HG3 LYS A 43 -14.989 -7.928 -5.545 1.00 63.44 H new ATOM 0 HD2 LYS A 43 -14.050 -10.323 -7.158 1.00 1.44 H new ATOM 0 HD3 LYS A 43 -15.413 -9.326 -7.625 1.00 1.44 H new ATOM 0 HE2 LYS A 43 -13.756 -7.314 -7.423 1.00 61.34 H new ATOM 0 HE3 LYS A 43 -12.492 -8.528 -7.424 1.00 61.34 H new ATOM 0 HZ1 LYS A 43 -12.926 -7.711 -9.641 1.00 73.12 H new ATOM 0 HZ2 LYS A 43 -13.330 -9.357 -9.539 1.00 73.12 H new ATOM 0 HZ3 LYS A 43 -14.554 -8.181 -9.537 1.00 73.12 H new ATOM 673 N THR A 44 -13.148 -11.371 -2.168 1.00 22.00 N ATOM 674 CA THR A 44 -12.098 -12.143 -1.508 1.00 34.31 C ATOM 675 C THR A 44 -11.574 -13.244 -2.432 1.00 71.45 C ATOM 676 O THR A 44 -10.847 -14.116 -1.993 1.00 71.03 O ATOM 677 CB THR A 44 -12.442 -12.559 -0.058 1.00 73.53 C ATOM 678 OG1 THR A 44 -13.604 -13.377 0.013 1.00 64.43 O ATOM 679 CG2 THR A 44 -12.725 -11.327 0.813 1.00 73.44 C ATOM 0 H THR A 44 -13.966 -11.917 -2.439 1.00 22.00 H new ATOM 0 HA THR A 44 -11.244 -11.487 -1.339 1.00 34.31 H new ATOM 0 HB THR A 44 -11.574 -13.113 0.299 1.00 73.53 H new ATOM 0 HG1 THR A 44 -13.780 -13.615 0.947 1.00 64.43 H new ATOM 0 HG21 THR A 44 -12.964 -11.646 1.827 1.00 73.44 H new ATOM 0 HG22 THR A 44 -11.844 -10.685 0.833 1.00 73.44 H new ATOM 0 HG23 THR A 44 -13.568 -10.774 0.398 1.00 73.44 H new ATOM 687 N ASP A 45 -11.886 -13.216 -3.729 1.00 71.14 N ATOM 688 CA ASP A 45 -11.380 -14.226 -4.662 1.00 61.20 C ATOM 689 C ASP A 45 -9.990 -13.841 -5.155 1.00 24.10 C ATOM 690 O ASP A 45 -9.060 -14.646 -5.155 1.00 71.34 O ATOM 691 CB ASP A 45 -12.327 -14.350 -5.857 1.00 60.32 C ATOM 692 CG ASP A 45 -13.667 -14.974 -5.488 1.00 60.33 C ATOM 693 OD1 ASP A 45 -13.727 -15.769 -4.524 1.00 54.13 O ATOM 694 OD2 ASP A 45 -14.660 -14.661 -6.177 1.00 43.03 O ATOM 0 H ASP A 45 -12.484 -12.509 -4.156 1.00 71.14 H new ATOM 0 HA ASP A 45 -11.322 -15.182 -4.142 1.00 61.20 H new ATOM 0 HB2 ASP A 45 -12.497 -13.361 -6.284 1.00 60.32 H new ATOM 0 HB3 ASP A 45 -11.851 -14.953 -6.630 1.00 60.32 H new ATOM 699 N LEU A 46 -9.840 -12.588 -5.587 1.00 53.42 N ATOM 700 CA LEU A 46 -8.685 -12.067 -6.314 1.00 75.21 C ATOM 701 C LEU A 46 -7.513 -11.675 -5.401 1.00 34.50 C ATOM 702 O LEU A 46 -6.637 -10.914 -5.819 1.00 51.33 O ATOM 703 CB LEU A 46 -9.163 -10.889 -7.184 1.00 33.31 C ATOM 704 CG LEU A 46 -9.868 -11.279 -8.498 1.00 33.41 C ATOM 705 CD1 LEU A 46 -10.160 -10.011 -9.306 1.00 14.10 C ATOM 706 CD2 LEU A 46 -9.015 -12.212 -9.361 1.00 3.11 C ATOM 0 H LEU A 46 -10.555 -11.877 -5.431 1.00 53.42 H new ATOM 0 HA LEU A 46 -8.281 -12.859 -6.944 1.00 75.21 H new ATOM 0 HB2 LEU A 46 -9.845 -10.277 -6.594 1.00 33.31 H new ATOM 0 HB3 LEU A 46 -8.302 -10.265 -7.425 1.00 33.31 H new ATOM 0 HG LEU A 46 -10.786 -11.804 -8.232 1.00 33.41 H new ATOM 0 HD11 LEU A 46 -10.659 -10.280 -10.237 1.00 14.10 H new ATOM 0 HD12 LEU A 46 -10.805 -9.351 -8.726 1.00 14.10 H new ATOM 0 HD13 LEU A 46 -9.224 -9.499 -9.530 1.00 14.10 H new ATOM 0 HD21 LEU A 46 -9.556 -12.458 -10.275 1.00 3.11 H new ATOM 0 HD22 LEU A 46 -8.078 -11.717 -9.615 1.00 3.11 H new ATOM 0 HD23 LEU A 46 -8.803 -13.127 -8.808 1.00 3.11 H new ATOM 718 N VAL A 47 -7.530 -12.155 -4.161 1.00 20.00 N ATOM 719 CA VAL A 47 -6.625 -11.873 -3.054 1.00 41.43 C ATOM 720 C VAL A 47 -6.063 -13.179 -2.497 1.00 14.43 C ATOM 721 O VAL A 47 -6.744 -14.206 -2.527 1.00 12.03 O ATOM 722 CB VAL A 47 -7.387 -11.021 -2.015 1.00 30.23 C ATOM 723 CG1 VAL A 47 -8.802 -11.498 -1.743 1.00 52.12 C ATOM 724 CG2 VAL A 47 -6.642 -10.807 -0.693 1.00 63.25 C ATOM 0 H VAL A 47 -8.252 -12.818 -3.880 1.00 20.00 H new ATOM 0 HA VAL A 47 -5.759 -11.296 -3.377 1.00 41.43 H new ATOM 0 HB VAL A 47 -7.450 -10.051 -2.508 1.00 30.23 H new ATOM 0 HG11 VAL A 47 -9.269 -10.848 -1.003 1.00 52.12 H new ATOM 0 HG12 VAL A 47 -9.379 -11.470 -2.667 1.00 52.12 H new ATOM 0 HG13 VAL A 47 -8.775 -12.519 -1.363 1.00 52.12 H new ATOM 0 HG21 VAL A 47 -7.252 -10.198 -0.026 1.00 63.25 H new ATOM 0 HG22 VAL A 47 -6.445 -11.772 -0.226 1.00 63.25 H new ATOM 0 HG23 VAL A 47 -5.698 -10.298 -0.886 1.00 63.25 H new ATOM 734 N ALA A 48 -4.840 -13.138 -1.963 1.00 3.15 N ATOM 735 CA ALA A 48 -4.212 -14.292 -1.337 1.00 12.12 C ATOM 736 C ALA A 48 -5.010 -14.714 -0.095 1.00 64.33 C ATOM 737 O ALA A 48 -5.509 -13.845 0.631 1.00 22.41 O ATOM 738 CB ALA A 48 -2.767 -13.954 -0.951 1.00 53.21 C ATOM 0 H ALA A 48 -4.260 -12.299 -1.955 1.00 3.15 H new ATOM 0 HA ALA A 48 -4.202 -15.121 -2.045 1.00 12.12 H new ATOM 0 HB1 ALA A 48 -2.303 -14.822 -0.483 1.00 53.21 H new ATOM 0 HB2 ALA A 48 -2.206 -13.680 -1.845 1.00 53.21 H new ATOM 0 HB3 ALA A 48 -2.763 -13.119 -0.251 1.00 53.21 H new ATOM 744 N PRO A 49 -5.076 -16.022 0.209 1.00 3.11 N ATOM 745 CA PRO A 49 -5.792 -16.532 1.370 1.00 43.41 C ATOM 746 C PRO A 49 -5.222 -15.944 2.661 1.00 33.42 C ATOM 747 O PRO A 49 -5.975 -15.650 3.580 1.00 4.13 O ATOM 748 CB PRO A 49 -5.669 -18.053 1.297 1.00 34.24 C ATOM 749 CG PRO A 49 -4.404 -18.286 0.482 1.00 44.11 C ATOM 750 CD PRO A 49 -4.413 -17.111 -0.490 1.00 15.43 C ATOM 0 HA PRO A 49 -6.843 -16.242 1.371 1.00 43.41 H new ATOM 0 HB2 PRO A 49 -5.590 -18.494 2.290 1.00 34.24 H new ATOM 0 HB3 PRO A 49 -6.540 -18.501 0.818 1.00 34.24 H new ATOM 0 HG2 PRO A 49 -3.512 -18.287 1.109 1.00 44.11 H new ATOM 0 HG3 PRO A 49 -4.428 -19.243 -0.039 1.00 44.11 H new ATOM 0 HD2 PRO A 49 -3.399 -16.832 -0.775 1.00 15.43 H new ATOM 0 HD3 PRO A 49 -4.943 -17.367 -1.407 1.00 15.43 H new ATOM 758 N GLU A 50 -3.913 -15.690 2.708 1.00 42.11 N ATOM 759 CA GLU A 50 -3.217 -15.194 3.884 1.00 14.33 C ATOM 760 C GLU A 50 -3.673 -13.791 4.305 1.00 31.13 C ATOM 761 O GLU A 50 -3.504 -13.431 5.467 1.00 33.41 O ATOM 762 CB GLU A 50 -1.710 -15.240 3.596 1.00 32.41 C ATOM 763 CG GLU A 50 -1.222 -14.165 2.610 1.00 74.41 C ATOM 764 CD GLU A 50 0.177 -14.451 2.052 1.00 21.34 C ATOM 765 OE1 GLU A 50 0.961 -15.186 2.701 1.00 14.12 O ATOM 766 OE2 GLU A 50 0.518 -13.918 0.973 1.00 71.25 O ATOM 0 H GLU A 50 -3.297 -15.829 1.907 1.00 42.11 H new ATOM 0 HA GLU A 50 -3.459 -15.833 4.733 1.00 14.33 H new ATOM 0 HB2 GLU A 50 -1.169 -15.128 4.535 1.00 32.41 H new ATOM 0 HB3 GLU A 50 -1.458 -16.223 3.198 1.00 32.41 H new ATOM 0 HG2 GLU A 50 -1.928 -14.092 1.783 1.00 74.41 H new ATOM 0 HG3 GLU A 50 -1.216 -13.197 3.111 1.00 74.41 H new ATOM 773 N TRP A 51 -4.244 -13.000 3.388 1.00 41.44 N ATOM 774 CA TRP A 51 -4.809 -11.691 3.694 1.00 75.11 C ATOM 775 C TRP A 51 -6.259 -11.847 4.133 1.00 34.01 C ATOM 776 O TRP A 51 -6.595 -11.533 5.271 1.00 23.32 O ATOM 777 CB TRP A 51 -4.678 -10.743 2.493 1.00 32.20 C ATOM 778 CG TRP A 51 -3.419 -9.939 2.467 1.00 13.14 C ATOM 779 CD1 TRP A 51 -2.373 -10.147 1.641 1.00 61.13 C ATOM 780 CD2 TRP A 51 -3.067 -8.773 3.280 1.00 11.03 C ATOM 781 NE1 TRP A 51 -1.381 -9.240 1.925 1.00 50.01 N ATOM 782 CE2 TRP A 51 -1.751 -8.355 2.912 1.00 25.21 C ATOM 783 CE3 TRP A 51 -3.728 -8.014 4.275 1.00 4.54 C ATOM 784 CZ2 TRP A 51 -1.095 -7.273 3.519 1.00 4.41 C ATOM 785 CZ3 TRP A 51 -3.082 -6.920 4.887 1.00 31.34 C ATOM 786 CH2 TRP A 51 -1.766 -6.567 4.531 1.00 21.03 C ATOM 0 H TRP A 51 -4.325 -13.258 2.405 1.00 41.44 H new ATOM 0 HA TRP A 51 -4.249 -11.244 4.516 1.00 75.11 H new ATOM 0 HB2 TRP A 51 -4.737 -11.330 1.576 1.00 32.20 H new ATOM 0 HB3 TRP A 51 -5.529 -10.061 2.491 1.00 32.20 H new ATOM 0 HD1 TRP A 51 -2.323 -10.908 0.876 1.00 61.13 H new ATOM 0 HE1 TRP A 51 -0.474 -9.224 1.458 1.00 50.01 H new ATOM 0 HE3 TRP A 51 -4.734 -8.275 4.568 1.00 4.54 H new ATOM 0 HZ2 TRP A 51 -0.098 -6.990 3.215 1.00 4.41 H new ATOM 0 HZ3 TRP A 51 -3.603 -6.345 5.638 1.00 31.34 H new ATOM 0 HH2 TRP A 51 -1.271 -5.751 5.037 1.00 21.03 H new ATOM 797 N ARG A 52 -7.120 -12.331 3.230 1.00 0.05 N ATOM 798 CA ARG A 52 -8.573 -12.442 3.423 1.00 1.41 C ATOM 799 C ARG A 52 -8.969 -13.322 4.620 1.00 60.03 C ATOM 800 O ARG A 52 -10.117 -13.244 5.052 1.00 15.20 O ATOM 801 CB ARG A 52 -9.199 -12.912 2.120 1.00 45.12 C ATOM 802 CG ARG A 52 -8.742 -14.316 1.730 1.00 54.42 C ATOM 803 CD ARG A 52 -8.854 -14.499 0.219 1.00 21.25 C ATOM 804 NE ARG A 52 -9.402 -15.833 -0.065 1.00 40.44 N ATOM 805 CZ ARG A 52 -9.385 -16.543 -1.198 1.00 61.45 C ATOM 806 NH1 ARG A 52 -8.625 -16.220 -2.239 1.00 14.14 N ATOM 807 NH2 ARG A 52 -10.164 -17.611 -1.275 1.00 22.21 N ATOM 0 H ARG A 52 -6.816 -12.667 2.316 1.00 0.05 H new ATOM 0 HA ARG A 52 -8.963 -11.457 3.680 1.00 1.41 H new ATOM 0 HB2 ARG A 52 -10.285 -12.899 2.216 1.00 45.12 H new ATOM 0 HB3 ARG A 52 -8.941 -12.214 1.323 1.00 45.12 H new ATOM 0 HG2 ARG A 52 -7.712 -14.474 2.049 1.00 54.42 H new ATOM 0 HG3 ARG A 52 -9.351 -15.061 2.241 1.00 54.42 H new ATOM 0 HD2 ARG A 52 -9.498 -13.730 -0.206 1.00 21.25 H new ATOM 0 HD3 ARG A 52 -7.875 -14.388 -0.247 1.00 21.25 H new ATOM 0 HE ARG A 52 -9.866 -16.286 0.722 1.00 40.44 H new ATOM 0 HH11 ARG A 52 -8.021 -15.399 -2.194 1.00 14.14 H new ATOM 0 HH12 ARG A 52 -8.646 -16.793 -3.083 1.00 14.14 H new ATOM 0 HH21 ARG A 52 -10.754 -17.870 -0.484 1.00 22.21 H new ATOM 0 HH22 ARG A 52 -10.175 -18.174 -2.125 1.00 22.21 H new ATOM 821 N GLN A 53 -8.026 -14.115 5.139 1.00 1.43 N ATOM 822 CA GLN A 53 -8.176 -15.213 6.083 1.00 53.35 C ATOM 823 C GLN A 53 -9.098 -14.910 7.253 1.00 23.22 C ATOM 824 O GLN A 53 -9.906 -15.751 7.638 1.00 61.02 O ATOM 825 CB GLN A 53 -6.782 -15.609 6.605 1.00 64.20 C ATOM 826 CG GLN A 53 -6.580 -17.123 6.541 1.00 74.13 C ATOM 827 CD GLN A 53 -5.192 -17.517 7.029 1.00 1.42 C ATOM 828 OE1 GLN A 53 -4.735 -17.100 8.094 1.00 22.13 O ATOM 829 NE2 GLN A 53 -4.475 -18.340 6.285 1.00 21.33 N ATOM 0 H GLN A 53 -7.048 -13.987 4.880 1.00 1.43 H new ATOM 0 HA GLN A 53 -8.648 -16.033 5.542 1.00 53.35 H new ATOM 0 HB2 GLN A 53 -6.014 -15.111 6.013 1.00 64.20 H new ATOM 0 HB3 GLN A 53 -6.664 -15.266 7.633 1.00 64.20 H new ATOM 0 HG2 GLN A 53 -7.336 -17.619 7.150 1.00 74.13 H new ATOM 0 HG3 GLN A 53 -6.719 -17.468 5.516 1.00 74.13 H new ATOM 0 HE21 GLN A 53 -4.850 -18.687 5.402 1.00 21.33 H new ATOM 0 HE22 GLN A 53 -3.546 -18.628 6.593 1.00 21.33 H new ATOM 838 N ASP A 54 -8.935 -13.730 7.841 1.00 45.11 N ATOM 839 CA ASP A 54 -9.612 -13.310 9.057 1.00 33.04 C ATOM 840 C ASP A 54 -9.977 -11.823 8.929 1.00 62.34 C ATOM 841 O ASP A 54 -10.302 -11.175 9.920 1.00 53.51 O ATOM 842 CB ASP A 54 -8.708 -13.591 10.271 1.00 10.40 C ATOM 843 CG ASP A 54 -8.598 -15.080 10.613 1.00 15.33 C ATOM 844 OD1 ASP A 54 -9.573 -15.648 11.159 1.00 32.00 O ATOM 845 OD2 ASP A 54 -7.533 -15.685 10.343 1.00 22.04 O ATOM 0 H ASP A 54 -8.306 -13.018 7.470 1.00 45.11 H new ATOM 0 HA ASP A 54 -10.534 -13.872 9.205 1.00 33.04 H new ATOM 0 HB2 ASP A 54 -7.712 -13.196 10.072 1.00 10.40 H new ATOM 0 HB3 ASP A 54 -9.097 -13.054 11.136 1.00 10.40 H new ATOM 850 N TYR A 55 -9.898 -11.284 7.705 1.00 13.25 N ATOM 851 CA TYR A 55 -10.121 -9.900 7.298 1.00 14.35 C ATOM 852 C TYR A 55 -11.454 -9.851 6.530 1.00 0.23 C ATOM 853 O TYR A 55 -11.441 -10.030 5.311 1.00 35.33 O ATOM 854 CB TYR A 55 -8.985 -9.399 6.397 1.00 64.11 C ATOM 855 CG TYR A 55 -7.770 -8.833 7.103 1.00 1.32 C ATOM 856 CD1 TYR A 55 -7.069 -9.605 8.047 1.00 2.10 C ATOM 857 CD2 TYR A 55 -7.347 -7.516 6.830 1.00 50.14 C ATOM 858 CE1 TYR A 55 -5.994 -9.054 8.760 1.00 12.22 C ATOM 859 CE2 TYR A 55 -6.254 -6.976 7.518 1.00 23.23 C ATOM 860 CZ TYR A 55 -5.587 -7.727 8.506 1.00 63.31 C ATOM 861 OH TYR A 55 -4.585 -7.145 9.220 1.00 40.41 O ATOM 0 H TYR A 55 -9.653 -11.865 6.903 1.00 13.25 H new ATOM 0 HA TYR A 55 -10.151 -9.257 8.178 1.00 14.35 H new ATOM 0 HB2 TYR A 55 -8.660 -10.225 5.765 1.00 64.11 H new ATOM 0 HB3 TYR A 55 -9.386 -8.631 5.736 1.00 64.11 H new ATOM 0 HD1 TYR A 55 -7.361 -10.630 8.224 1.00 2.10 H new ATOM 0 HD2 TYR A 55 -7.866 -6.924 6.091 1.00 50.14 H new ATOM 0 HE1 TYR A 55 -5.478 -9.645 9.503 1.00 12.22 H new ATOM 0 HE2 TYR A 55 -5.919 -5.975 7.289 1.00 23.23 H new ATOM 0 HH TYR A 55 -4.141 -6.467 8.668 1.00 40.41 H new ATOM 871 N PRO A 56 -12.610 -9.704 7.196 1.00 3.14 N ATOM 872 CA PRO A 56 -13.913 -9.624 6.540 1.00 50.13 C ATOM 873 C PRO A 56 -14.133 -8.296 5.795 1.00 73.12 C ATOM 874 O PRO A 56 -15.116 -8.160 5.066 1.00 22.42 O ATOM 875 CB PRO A 56 -14.927 -9.767 7.683 1.00 51.01 C ATOM 876 CG PRO A 56 -14.200 -9.130 8.865 1.00 2.43 C ATOM 877 CD PRO A 56 -12.748 -9.543 8.630 1.00 41.40 C ATOM 0 HA PRO A 56 -14.008 -10.395 5.775 1.00 50.13 H new ATOM 0 HB2 PRO A 56 -15.862 -9.254 7.460 1.00 51.01 H new ATOM 0 HB3 PRO A 56 -15.174 -10.811 7.876 1.00 51.01 H new ATOM 0 HG2 PRO A 56 -14.316 -8.046 8.875 1.00 2.43 H new ATOM 0 HG3 PRO A 56 -14.577 -9.500 9.819 1.00 2.43 H new ATOM 0 HD2 PRO A 56 -12.060 -8.786 9.006 1.00 41.40 H new ATOM 0 HD3 PRO A 56 -12.516 -10.472 9.152 1.00 41.40 H new ATOM 885 N GLU A 57 -13.275 -7.302 6.016 1.00 52.21 N ATOM 886 CA GLU A 57 -13.470 -5.890 5.708 1.00 12.22 C ATOM 887 C GLU A 57 -12.097 -5.250 5.475 1.00 64.15 C ATOM 888 O GLU A 57 -11.077 -5.892 5.769 1.00 34.31 O ATOM 889 CB GLU A 57 -14.209 -5.220 6.881 1.00 31.11 C ATOM 890 CG GLU A 57 -15.704 -5.074 6.575 1.00 33.32 C ATOM 891 CD GLU A 57 -16.517 -4.790 7.835 1.00 3.32 C ATOM 892 OE1 GLU A 57 -16.050 -4.027 8.709 1.00 10.55 O ATOM 893 OE2 GLU A 57 -17.631 -5.353 7.968 1.00 41.31 O ATOM 0 H GLU A 57 -12.365 -7.475 6.443 1.00 52.21 H new ATOM 0 HA GLU A 57 -14.072 -5.763 4.808 1.00 12.22 H new ATOM 0 HB2 GLU A 57 -14.075 -5.813 7.786 1.00 31.11 H new ATOM 0 HB3 GLU A 57 -13.776 -4.239 7.076 1.00 31.11 H new ATOM 0 HG2 GLU A 57 -15.851 -4.266 5.858 1.00 33.32 H new ATOM 0 HG3 GLU A 57 -16.069 -5.987 6.105 1.00 33.32 H new ATOM 900 N PRO A 58 -12.021 -4.028 4.915 1.00 60.31 N ATOM 901 CA PRO A 58 -10.733 -3.381 4.716 1.00 70.01 C ATOM 902 C PRO A 58 -10.011 -3.184 6.059 1.00 21.45 C ATOM 903 O PRO A 58 -10.679 -2.960 7.074 1.00 32.04 O ATOM 904 CB PRO A 58 -11.061 -2.012 4.103 1.00 52.43 C ATOM 905 CG PRO A 58 -12.527 -2.071 3.671 1.00 32.34 C ATOM 906 CD PRO A 58 -13.127 -3.149 4.564 1.00 60.43 C ATOM 0 HA PRO A 58 -10.079 -3.979 4.081 1.00 70.01 H new ATOM 0 HB2 PRO A 58 -10.902 -1.214 4.828 1.00 52.43 H new ATOM 0 HB3 PRO A 58 -10.414 -1.803 3.251 1.00 52.43 H new ATOM 0 HG2 PRO A 58 -13.025 -1.112 3.813 1.00 32.34 H new ATOM 0 HG3 PRO A 58 -12.623 -2.327 2.616 1.00 32.34 H new ATOM 0 HD2 PRO A 58 -13.579 -2.713 5.455 1.00 60.43 H new ATOM 0 HD3 PRO A 58 -13.913 -3.697 4.043 1.00 60.43 H new ATOM 914 N PRO A 59 -8.672 -3.123 6.084 1.00 45.42 N ATOM 915 CA PRO A 59 -7.944 -2.441 7.136 1.00 52.45 C ATOM 916 C PRO A 59 -7.878 -0.944 6.811 1.00 72.01 C ATOM 917 O PRO A 59 -7.991 -0.560 5.642 1.00 3.11 O ATOM 918 CB PRO A 59 -6.547 -3.042 7.099 1.00 32.42 C ATOM 919 CG PRO A 59 -6.343 -3.357 5.619 1.00 1.25 C ATOM 920 CD PRO A 59 -7.751 -3.668 5.103 1.00 61.11 C ATOM 0 HA PRO A 59 -8.411 -2.554 8.114 1.00 52.45 H new ATOM 0 HB2 PRO A 59 -5.798 -2.342 7.469 1.00 32.42 H new ATOM 0 HB3 PRO A 59 -6.478 -3.939 7.715 1.00 32.42 H new ATOM 0 HG2 PRO A 59 -5.902 -2.512 5.089 1.00 1.25 H new ATOM 0 HG3 PRO A 59 -5.672 -4.205 5.481 1.00 1.25 H new ATOM 0 HD2 PRO A 59 -7.915 -3.218 4.124 1.00 61.11 H new ATOM 0 HD3 PRO A 59 -7.895 -4.742 4.989 1.00 61.11 H new ATOM 928 N ASP A 60 -7.583 -0.113 7.810 1.00 63.04 N ATOM 929 CA ASP A 60 -7.259 1.294 7.607 1.00 41.01 C ATOM 930 C ASP A 60 -5.793 1.528 7.938 1.00 23.54 C ATOM 931 O ASP A 60 -5.345 1.221 9.049 1.00 32.10 O ATOM 932 CB ASP A 60 -8.125 2.208 8.477 1.00 32.43 C ATOM 933 CG ASP A 60 -7.847 3.675 8.154 1.00 61.32 C ATOM 934 OD1 ASP A 60 -7.303 3.989 7.074 1.00 24.32 O ATOM 935 OD2 ASP A 60 -8.156 4.528 9.013 1.00 52.52 O ATOM 0 H ASP A 60 -7.563 -0.401 8.788 1.00 63.04 H new ATOM 0 HA ASP A 60 -7.457 1.535 6.563 1.00 41.01 H new ATOM 0 HB2 ASP A 60 -9.179 1.986 8.311 1.00 32.43 H new ATOM 0 HB3 ASP A 60 -7.922 2.017 9.531 1.00 32.43 H new ATOM 940 N PHE A 61 -5.027 2.054 6.988 1.00 4.40 N ATOM 941 CA PHE A 61 -3.649 2.468 7.222 1.00 23.03 C ATOM 942 C PHE A 61 -3.539 3.929 7.659 1.00 20.15 C ATOM 943 O PHE A 61 -2.507 4.312 8.220 1.00 34.42 O ATOM 944 CB PHE A 61 -2.853 2.227 5.943 1.00 53.34 C ATOM 945 CG PHE A 61 -2.790 0.765 5.576 1.00 64.51 C ATOM 946 CD1 PHE A 61 -1.858 -0.064 6.224 1.00 5.45 C ATOM 947 CD2 PHE A 61 -3.679 0.223 4.630 1.00 31.12 C ATOM 948 CE1 PHE A 61 -1.782 -1.425 5.901 1.00 4.41 C ATOM 949 CE2 PHE A 61 -3.629 -1.146 4.334 1.00 70.44 C ATOM 950 CZ PHE A 61 -2.683 -1.966 4.972 1.00 22.24 C ATOM 0 H PHE A 61 -5.346 2.205 6.031 1.00 4.40 H new ATOM 0 HA PHE A 61 -3.244 1.877 8.043 1.00 23.03 H new ATOM 0 HB2 PHE A 61 -3.307 2.786 5.124 1.00 53.34 H new ATOM 0 HB3 PHE A 61 -1.841 2.612 6.069 1.00 53.34 H new ATOM 0 HD1 PHE A 61 -1.199 0.349 6.973 1.00 5.45 H new ATOM 0 HD2 PHE A 61 -4.397 0.859 4.134 1.00 31.12 H new ATOM 0 HE1 PHE A 61 -1.035 -2.053 6.364 1.00 4.41 H new ATOM 0 HE2 PHE A 61 -4.316 -1.570 3.617 1.00 70.44 H new ATOM 0 HZ PHE A 61 -2.649 -3.021 4.745 1.00 22.24 H new ATOM 960 N ILE A 62 -4.573 4.737 7.421 1.00 74.33 N ATOM 961 CA ILE A 62 -4.562 6.167 7.672 1.00 55.31 C ATOM 962 C ILE A 62 -4.645 6.397 9.178 1.00 44.32 C ATOM 963 O ILE A 62 -3.777 7.063 9.743 1.00 43.13 O ATOM 964 CB ILE A 62 -5.714 6.852 6.897 1.00 63.01 C ATOM 965 CG1 ILE A 62 -5.707 6.537 5.385 1.00 64.54 C ATOM 966 CG2 ILE A 62 -5.710 8.371 7.100 1.00 40.11 C ATOM 967 CD1 ILE A 62 -4.432 6.929 4.630 1.00 53.41 C ATOM 0 H ILE A 62 -5.458 4.402 7.040 1.00 74.33 H new ATOM 0 HA ILE A 62 -3.637 6.617 7.312 1.00 55.31 H new ATOM 0 HB ILE A 62 -6.628 6.433 7.318 1.00 63.01 H new ATOM 0 HG12 ILE A 62 -5.870 5.467 5.255 1.00 64.54 H new ATOM 0 HG13 ILE A 62 -6.552 7.047 4.923 1.00 64.54 H new ATOM 0 HG21 ILE A 62 -6.533 8.815 6.540 1.00 40.11 H new ATOM 0 HG22 ILE A 62 -5.828 8.597 8.160 1.00 40.11 H new ATOM 0 HG23 ILE A 62 -4.766 8.783 6.745 1.00 40.11 H new ATOM 0 HD11 ILE A 62 -4.536 6.663 3.578 1.00 53.41 H new ATOM 0 HD12 ILE A 62 -4.273 8.004 4.718 1.00 53.41 H new ATOM 0 HD13 ILE A 62 -3.580 6.400 5.056 1.00 53.41 H new ATOM 979 N ALA A 63 -5.669 5.868 9.851 1.00 15.31 N ATOM 980 CA ALA A 63 -5.891 6.148 11.264 1.00 43.51 C ATOM 981 C ALA A 63 -5.207 5.143 12.196 1.00 33.31 C ATOM 982 O ALA A 63 -4.925 5.477 13.353 1.00 35.25 O ATOM 983 CB ALA A 63 -7.392 6.163 11.525 1.00 51.12 C ATOM 0 H ALA A 63 -6.358 5.241 9.435 1.00 15.31 H new ATOM 0 HA ALA A 63 -5.444 7.118 11.483 1.00 43.51 H new ATOM 0 HB1 ALA A 63 -7.576 6.371 12.579 1.00 51.12 H new ATOM 0 HB2 ALA A 63 -7.860 6.936 10.915 1.00 51.12 H new ATOM 0 HB3 ALA A 63 -7.816 5.192 11.268 1.00 51.12 H new ATOM 989 N SER A 64 -4.925 3.928 11.721 1.00 63.35 N ATOM 990 CA SER A 64 -4.589 2.762 12.540 1.00 1.13 C ATOM 991 C SER A 64 -3.169 2.262 12.242 1.00 72.51 C ATOM 992 O SER A 64 -2.482 2.878 11.420 1.00 30.01 O ATOM 993 CB SER A 64 -5.687 1.715 12.324 1.00 72.32 C ATOM 994 OG SER A 64 -5.882 0.981 13.509 1.00 43.03 O ATOM 0 H SER A 64 -4.924 3.722 10.722 1.00 63.35 H new ATOM 0 HA SER A 64 -4.564 3.014 13.600 1.00 1.13 H new ATOM 0 HB2 SER A 64 -6.616 2.204 12.030 1.00 72.32 H new ATOM 0 HB3 SER A 64 -5.409 1.044 11.511 1.00 72.32 H new ATOM 0 HG SER A 64 -6.586 0.314 13.368 1.00 43.03 H new ATOM 1000 N ARG A 65 -2.675 1.214 12.927 1.00 62.42 N ATOM 1001 CA ARG A 65 -1.569 0.434 12.358 1.00 30.11 C ATOM 1002 C ARG A 65 -1.596 -1.072 12.688 1.00 4.10 C ATOM 1003 O ARG A 65 -0.538 -1.652 12.942 1.00 52.14 O ATOM 1004 CB ARG A 65 -0.227 1.093 12.790 1.00 11.54 C ATOM 1005 CG ARG A 65 0.119 1.207 14.297 1.00 71.43 C ATOM 1006 CD ARG A 65 0.727 -0.062 14.921 1.00 44.10 C ATOM 1007 NE ARG A 65 1.468 0.177 16.173 1.00 43.32 N ATOM 1008 CZ ARG A 65 1.813 -0.775 17.055 1.00 31.30 C ATOM 1009 NH1 ARG A 65 1.559 -2.058 16.819 1.00 21.13 N ATOM 1010 NH2 ARG A 65 2.415 -0.436 18.187 1.00 75.23 N ATOM 0 H ARG A 65 -3.009 0.899 13.838 1.00 62.42 H new ATOM 0 HA ARG A 65 -1.682 0.461 11.274 1.00 30.11 H new ATOM 0 HB2 ARG A 65 0.579 0.536 12.311 1.00 11.54 H new ATOM 0 HB3 ARG A 65 -0.209 2.100 12.374 1.00 11.54 H new ATOM 0 HG2 ARG A 65 0.819 2.032 14.433 1.00 71.43 H new ATOM 0 HG3 ARG A 65 -0.788 1.465 14.844 1.00 71.43 H new ATOM 0 HD2 ARG A 65 -0.073 -0.777 15.116 1.00 44.10 H new ATOM 0 HD3 ARG A 65 1.398 -0.524 14.197 1.00 44.10 H new ATOM 0 HE ARG A 65 1.739 1.137 16.385 1.00 43.32 H new ATOM 0 HH11 ARG A 65 1.094 -2.335 15.955 1.00 21.13 H new ATOM 0 HH12 ARG A 65 1.829 -2.765 17.502 1.00 21.13 H new ATOM 0 HH21 ARG A 65 2.614 0.545 18.385 1.00 75.23 H new ATOM 0 HH22 ARG A 65 2.679 -1.156 18.860 1.00 75.23 H new ATOM 1024 N PRO A 66 -2.694 -1.816 12.485 1.00 13.31 N ATOM 1025 CA PRO A 66 -2.665 -3.268 12.592 1.00 63.15 C ATOM 1026 C PRO A 66 -2.044 -3.863 11.332 1.00 11.10 C ATOM 1027 O PRO A 66 -1.026 -4.559 11.415 1.00 24.21 O ATOM 1028 CB PRO A 66 -4.115 -3.701 12.809 1.00 52.52 C ATOM 1029 CG PRO A 66 -4.934 -2.563 12.198 1.00 4.32 C ATOM 1030 CD PRO A 66 -4.060 -1.343 12.421 1.00 31.20 C ATOM 0 HA PRO A 66 -2.051 -3.622 13.420 1.00 63.15 H new ATOM 0 HB2 PRO A 66 -4.325 -4.652 12.320 1.00 52.52 H new ATOM 0 HB3 PRO A 66 -4.339 -3.831 13.868 1.00 52.52 H new ATOM 0 HG2 PRO A 66 -5.127 -2.731 11.138 1.00 4.32 H new ATOM 0 HG3 PRO A 66 -5.903 -2.458 12.686 1.00 4.32 H new ATOM 0 HD2 PRO A 66 -4.183 -0.625 11.610 1.00 31.20 H new ATOM 0 HD3 PRO A 66 -4.336 -0.832 13.343 1.00 31.20 H new ATOM 1038 N ALA A 67 -2.593 -3.540 10.158 1.00 23.43 N ATOM 1039 CA ALA A 67 -2.153 -4.135 8.909 1.00 44.04 C ATOM 1040 C ALA A 67 -0.762 -3.646 8.505 1.00 4.33 C ATOM 1041 O ALA A 67 -0.173 -4.241 7.613 1.00 43.40 O ATOM 1042 CB ALA A 67 -3.177 -3.893 7.799 1.00 42.44 C ATOM 0 H ALA A 67 -3.349 -2.863 10.054 1.00 23.43 H new ATOM 0 HA ALA A 67 -2.077 -5.211 9.066 1.00 44.04 H new ATOM 0 HB1 ALA A 67 -2.825 -4.348 6.873 1.00 42.44 H new ATOM 0 HB2 ALA A 67 -4.132 -4.337 8.081 1.00 42.44 H new ATOM 0 HB3 ALA A 67 -3.306 -2.821 7.650 1.00 42.44 H new ATOM 1048 N THR A 68 -0.185 -2.632 9.156 1.00 73.52 N ATOM 1049 CA THR A 68 1.207 -2.237 8.963 1.00 63.25 C ATOM 1050 C THR A 68 2.159 -3.433 9.145 1.00 54.33 C ATOM 1051 O THR A 68 3.073 -3.609 8.337 1.00 0.41 O ATOM 1052 CB THR A 68 1.515 -1.072 9.916 1.00 54.24 C ATOM 1053 OG1 THR A 68 0.549 -0.061 9.719 1.00 34.13 O ATOM 1054 CG2 THR A 68 2.906 -0.473 9.718 1.00 1.35 C ATOM 0 H THR A 68 -0.680 -2.058 9.839 1.00 73.52 H new ATOM 0 HA THR A 68 1.365 -1.897 7.940 1.00 63.25 H new ATOM 0 HB THR A 68 1.485 -1.471 10.930 1.00 54.24 H new ATOM 0 HG1 THR A 68 0.892 0.790 10.063 1.00 34.13 H new ATOM 0 HG21 THR A 68 3.054 0.344 10.424 1.00 1.35 H new ATOM 0 HG22 THR A 68 3.660 -1.241 9.888 1.00 1.35 H new ATOM 0 HG23 THR A 68 2.997 -0.094 8.700 1.00 1.35 H new ATOM 1062 N VAL A 69 1.902 -4.299 10.133 1.00 43.01 N ATOM 1063 CA VAL A 69 2.649 -5.542 10.333 1.00 61.41 C ATOM 1064 C VAL A 69 2.404 -6.477 9.148 1.00 41.12 C ATOM 1065 O VAL A 69 3.326 -7.110 8.629 1.00 0.34 O ATOM 1066 CB VAL A 69 2.201 -6.235 11.640 1.00 43.44 C ATOM 1067 CG1 VAL A 69 3.113 -7.423 11.985 1.00 64.33 C ATOM 1068 CG2 VAL A 69 2.190 -5.289 12.844 1.00 33.24 C ATOM 0 H VAL A 69 1.163 -4.153 10.821 1.00 43.01 H new ATOM 0 HA VAL A 69 3.711 -5.309 10.406 1.00 61.41 H new ATOM 0 HB VAL A 69 1.183 -6.576 11.448 1.00 43.44 H new ATOM 0 HG11 VAL A 69 2.771 -7.888 12.909 1.00 64.33 H new ATOM 0 HG12 VAL A 69 3.080 -8.154 11.177 1.00 64.33 H new ATOM 0 HG13 VAL A 69 4.136 -7.071 12.114 1.00 64.33 H new ATOM 0 HG21 VAL A 69 1.867 -5.833 13.731 1.00 33.24 H new ATOM 0 HG22 VAL A 69 3.193 -4.894 13.006 1.00 33.24 H new ATOM 0 HG23 VAL A 69 1.502 -4.465 12.653 1.00 33.24 H new ATOM 1078 N LYS A 70 1.145 -6.583 8.720 1.00 44.30 N ATOM 1079 CA LYS A 70 0.747 -7.498 7.667 1.00 11.43 C ATOM 1080 C LYS A 70 1.298 -7.058 6.308 1.00 23.10 C ATOM 1081 O LYS A 70 1.590 -7.913 5.478 1.00 54.32 O ATOM 1082 CB LYS A 70 -0.777 -7.687 7.713 1.00 2.43 C ATOM 1083 CG LYS A 70 -1.186 -8.977 6.994 1.00 73.42 C ATOM 1084 CD LYS A 70 -2.596 -9.427 7.401 1.00 22.11 C ATOM 1085 CE LYS A 70 -2.941 -10.783 6.781 1.00 44.31 C ATOM 1086 NZ LYS A 70 -2.291 -11.917 7.468 1.00 51.05 N ATOM 0 H LYS A 70 0.376 -6.032 9.100 1.00 44.30 H new ATOM 0 HA LYS A 70 1.189 -8.481 7.830 1.00 11.43 H new ATOM 0 HB2 LYS A 70 -1.113 -7.721 8.749 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -1.268 -6.833 7.246 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -1.150 -8.821 5.916 1.00 73.42 H new ATOM 0 HG3 LYS A 70 -0.470 -9.766 7.225 1.00 73.42 H new ATOM 0 HD2 LYS A 70 -2.661 -9.493 8.487 1.00 22.11 H new ATOM 0 HD3 LYS A 70 -3.325 -8.682 7.083 1.00 22.11 H new ATOM 0 HE2 LYS A 70 -4.022 -10.922 6.806 1.00 44.31 H new ATOM 0 HE3 LYS A 70 -2.643 -10.782 5.732 1.00 44.31 H new ATOM 0 HZ1 LYS A 70 -2.522 -12.802 6.972 1.00 51.05 H new ATOM 0 HZ2 LYS A 70 -1.260 -11.779 7.467 1.00 51.05 H new ATOM 0 HZ3 LYS A 70 -2.633 -11.971 8.449 1.00 51.05 H new ATOM 1100 N LEU A 71 1.551 -5.765 6.086 1.00 51.33 N ATOM 1101 CA LEU A 71 2.338 -5.301 4.948 1.00 60.21 C ATOM 1102 C LEU A 71 3.743 -5.880 5.073 1.00 71.03 C ATOM 1103 O LEU A 71 4.241 -6.459 4.118 1.00 21.22 O ATOM 1104 CB LEU A 71 2.440 -3.768 4.876 1.00 31.13 C ATOM 1105 CG LEU A 71 1.149 -3.002 4.587 1.00 70.22 C ATOM 1106 CD1 LEU A 71 1.413 -1.511 4.835 1.00 41.23 C ATOM 1107 CD2 LEU A 71 0.574 -3.120 3.183 1.00 24.45 C ATOM 0 H LEU A 71 1.215 -5.015 6.690 1.00 51.33 H new ATOM 0 HA LEU A 71 1.838 -5.635 4.039 1.00 60.21 H new ATOM 0 HB2 LEU A 71 2.842 -3.410 5.824 1.00 31.13 H new ATOM 0 HB3 LEU A 71 3.166 -3.512 4.105 1.00 31.13 H new ATOM 0 HG LEU A 71 0.411 -3.456 5.248 1.00 70.22 H new ATOM 0 HD11 LEU A 71 0.505 -0.942 4.635 1.00 41.23 H new ATOM 0 HD12 LEU A 71 1.713 -1.362 5.872 1.00 41.23 H new ATOM 0 HD13 LEU A 71 2.209 -1.168 4.174 1.00 41.23 H new ATOM 0 HD21 LEU A 71 -0.340 -2.530 3.113 1.00 24.45 H new ATOM 0 HD22 LEU A 71 1.301 -2.751 2.460 1.00 24.45 H new ATOM 0 HD23 LEU A 71 0.348 -4.165 2.969 1.00 24.45 H new ATOM 1119 N THR A 72 4.395 -5.743 6.229 1.00 22.43 N ATOM 1120 CA THR A 72 5.774 -6.168 6.433 1.00 5.41 C ATOM 1121 C THR A 72 5.966 -7.664 6.180 1.00 13.12 C ATOM 1122 O THR A 72 7.037 -8.060 5.723 1.00 54.13 O ATOM 1123 CB THR A 72 6.215 -5.721 7.831 1.00 4.22 C ATOM 1124 OG1 THR A 72 6.245 -4.306 7.848 1.00 20.14 O ATOM 1125 CG2 THR A 72 7.584 -6.254 8.223 1.00 44.11 C ATOM 0 H THR A 72 3.971 -5.328 7.059 1.00 22.43 H new ATOM 0 HA THR A 72 6.420 -5.689 5.697 1.00 5.41 H new ATOM 0 HB THR A 72 5.503 -6.122 8.552 1.00 4.22 H new ATOM 0 HG1 THR A 72 5.338 -3.961 7.988 1.00 20.14 H new ATOM 0 HG21 THR A 72 7.839 -5.902 9.223 1.00 44.11 H new ATOM 0 HG22 THR A 72 7.566 -7.344 8.215 1.00 44.11 H new ATOM 0 HG23 THR A 72 8.330 -5.898 7.512 1.00 44.11 H new ATOM 1133 N ARG A 73 4.923 -8.482 6.361 1.00 43.54 N ATOM 1134 CA ARG A 73 4.943 -9.883 5.949 1.00 73.01 C ATOM 1135 C ARG A 73 5.378 -10.064 4.487 1.00 74.32 C ATOM 1136 O ARG A 73 5.942 -11.109 4.162 1.00 53.02 O ATOM 1137 CB ARG A 73 3.569 -10.544 6.162 1.00 13.43 C ATOM 1138 CG ARG A 73 3.038 -10.533 7.608 1.00 71.01 C ATOM 1139 CD ARG A 73 3.354 -11.779 8.438 1.00 54.55 C ATOM 1140 NE ARG A 73 4.753 -12.205 8.295 1.00 51.51 N ATOM 1141 CZ ARG A 73 5.209 -13.231 7.570 1.00 35.04 C ATOM 1142 NH1 ARG A 73 4.399 -14.113 7.001 1.00 45.14 N ATOM 1143 NH2 ARG A 73 6.513 -13.341 7.404 1.00 22.13 N ATOM 0 H ARG A 73 4.047 -8.190 6.795 1.00 43.54 H new ATOM 0 HA ARG A 73 5.684 -10.373 6.581 1.00 73.01 H new ATOM 0 HB2 ARG A 73 2.842 -10.041 5.524 1.00 13.43 H new ATOM 0 HB3 ARG A 73 3.628 -11.579 5.824 1.00 13.43 H new ATOM 0 HG2 ARG A 73 3.449 -9.663 8.120 1.00 71.01 H new ATOM 0 HG3 ARG A 73 1.956 -10.403 7.578 1.00 71.01 H new ATOM 0 HD2 ARG A 73 3.144 -11.576 9.488 1.00 54.55 H new ATOM 0 HD3 ARG A 73 2.696 -12.593 8.133 1.00 54.55 H new ATOM 0 HE ARG A 73 5.450 -11.660 8.803 1.00 51.51 H new ATOM 0 HH11 ARG A 73 3.389 -14.022 7.109 1.00 45.14 H new ATOM 0 HH12 ARG A 73 4.786 -14.883 6.455 1.00 45.14 H new ATOM 0 HH21 ARG A 73 7.140 -12.655 7.823 1.00 22.13 H new ATOM 0 HH22 ARG A 73 6.894 -14.112 6.856 1.00 22.13 H new ATOM 1157 N SER A 74 5.149 -9.066 3.631 1.00 25.00 N ATOM 1158 CA SER A 74 5.463 -9.018 2.206 1.00 25.22 C ATOM 1159 C SER A 74 6.654 -8.106 1.869 1.00 53.53 C ATOM 1160 O SER A 74 6.880 -7.839 0.689 1.00 32.04 O ATOM 1161 CB SER A 74 4.220 -8.525 1.454 1.00 62.42 C ATOM 1162 OG SER A 74 3.116 -9.354 1.730 1.00 42.24 O ATOM 0 H SER A 74 4.704 -8.203 3.944 1.00 25.00 H new ATOM 0 HA SER A 74 5.749 -10.025 1.901 1.00 25.22 H new ATOM 0 HB2 SER A 74 3.994 -7.499 1.746 1.00 62.42 H new ATOM 0 HB3 SER A 74 4.416 -8.516 0.382 1.00 62.42 H new ATOM 0 HG SER A 74 2.331 -9.025 1.244 1.00 42.24 H new ATOM 1168 N ILE A 75 7.393 -7.586 2.854 1.00 52.10 N ATOM 1169 CA ILE A 75 8.550 -6.720 2.646 1.00 74.23 C ATOM 1170 C ILE A 75 9.804 -7.538 3.002 1.00 33.15 C ATOM 1171 O ILE A 75 10.243 -7.486 4.160 1.00 71.11 O ATOM 1172 CB ILE A 75 8.393 -5.407 3.445 1.00 30.41 C ATOM 1173 CG1 ILE A 75 7.080 -4.674 3.082 1.00 21.15 C ATOM 1174 CG2 ILE A 75 9.565 -4.457 3.169 1.00 44.22 C ATOM 1175 CD1 ILE A 75 6.828 -3.431 3.938 1.00 0.14 C ATOM 0 H ILE A 75 7.196 -7.762 3.839 1.00 52.10 H new ATOM 0 HA ILE A 75 8.642 -6.400 1.608 1.00 74.23 H new ATOM 0 HB ILE A 75 8.374 -5.682 4.499 1.00 30.41 H new ATOM 0 HG12 ILE A 75 7.112 -4.384 2.032 1.00 21.15 H new ATOM 0 HG13 ILE A 75 6.243 -5.363 3.197 1.00 21.15 H new ATOM 0 HG21 ILE A 75 9.432 -3.540 3.742 1.00 44.22 H new ATOM 0 HG22 ILE A 75 10.499 -4.937 3.462 1.00 44.22 H new ATOM 0 HG23 ILE A 75 9.598 -4.219 2.106 1.00 44.22 H new ATOM 0 HD11 ILE A 75 5.892 -2.963 3.633 1.00 0.14 H new ATOM 0 HD12 ILE A 75 6.765 -3.719 4.987 1.00 0.14 H new ATOM 0 HD13 ILE A 75 7.647 -2.725 3.804 1.00 0.14 H new ATOM 1187 N PRO A 76 10.357 -8.325 2.057 1.00 13.22 N ATOM 1188 CA PRO A 76 11.477 -9.215 2.327 1.00 22.24 C ATOM 1189 C PRO A 76 12.785 -8.439 2.540 1.00 70.14 C ATOM 1190 O PRO A 76 12.855 -7.228 2.310 1.00 13.23 O ATOM 1191 CB PRO A 76 11.534 -10.141 1.103 1.00 40.41 C ATOM 1192 CG PRO A 76 11.091 -9.226 -0.019 1.00 63.33 C ATOM 1193 CD PRO A 76 9.947 -8.482 0.664 1.00 11.41 C ATOM 0 HA PRO A 76 11.346 -9.778 3.251 1.00 22.24 H new ATOM 0 HB2 PRO A 76 12.538 -10.532 0.936 1.00 40.41 H new ATOM 0 HB3 PRO A 76 10.872 -11.000 1.212 1.00 40.41 H new ATOM 0 HG2 PRO A 76 11.886 -8.555 -0.345 1.00 63.33 H new ATOM 0 HG3 PRO A 76 10.760 -9.779 -0.898 1.00 63.33 H new ATOM 0 HD2 PRO A 76 9.774 -7.514 0.195 1.00 11.41 H new ATOM 0 HD3 PRO A 76 9.015 -9.043 0.590 1.00 11.41 H new ATOM 1201 N ALA A 77 13.854 -9.143 2.926 1.00 33.44 N ATOM 1202 CA ALA A 77 15.188 -8.578 3.119 1.00 61.34 C ATOM 1203 C ALA A 77 15.704 -7.832 1.874 1.00 4.41 C ATOM 1204 O ALA A 77 16.215 -6.719 2.027 1.00 72.14 O ATOM 1205 CB ALA A 77 16.161 -9.672 3.575 1.00 53.41 C ATOM 0 H ALA A 77 13.812 -10.144 3.117 1.00 33.44 H new ATOM 0 HA ALA A 77 15.119 -7.826 3.905 1.00 61.34 H new ATOM 0 HB1 ALA A 77 17.152 -9.241 3.716 1.00 53.41 H new ATOM 0 HB2 ALA A 77 15.813 -10.099 4.516 1.00 53.41 H new ATOM 0 HB3 ALA A 77 16.210 -10.454 2.818 1.00 53.41 H new ATOM 1211 N PRO A 78 15.579 -8.367 0.646 1.00 21.31 N ATOM 1212 CA PRO A 78 15.946 -7.642 -0.565 1.00 32.14 C ATOM 1213 C PRO A 78 15.070 -6.422 -0.880 1.00 31.40 C ATOM 1214 O PRO A 78 15.478 -5.655 -1.747 1.00 44.04 O ATOM 1215 CB PRO A 78 15.912 -8.672 -1.705 1.00 43.52 C ATOM 1216 CG PRO A 78 15.019 -9.783 -1.161 1.00 40.32 C ATOM 1217 CD PRO A 78 15.376 -9.767 0.313 1.00 35.14 C ATOM 0 HA PRO A 78 16.935 -7.206 -0.428 1.00 32.14 H new ATOM 0 HB2 PRO A 78 15.505 -8.243 -2.621 1.00 43.52 H new ATOM 0 HB3 PRO A 78 16.910 -9.040 -1.942 1.00 43.52 H new ATOM 0 HG2 PRO A 78 13.962 -9.578 -1.329 1.00 40.32 H new ATOM 0 HG3 PRO A 78 15.234 -10.746 -1.624 1.00 40.32 H new ATOM 0 HD2 PRO A 78 14.578 -10.202 0.915 1.00 35.14 H new ATOM 0 HD3 PRO A 78 16.276 -10.351 0.506 1.00 35.14 H new ATOM 1225 N TYR A 79 13.918 -6.195 -0.228 1.00 63.31 N ATOM 1226 CA TYR A 79 13.000 -5.104 -0.575 1.00 2.42 C ATOM 1227 C TYR A 79 12.608 -4.257 0.639 1.00 11.54 C ATOM 1228 O TYR A 79 11.462 -3.823 0.773 1.00 0.32 O ATOM 1229 CB TYR A 79 11.750 -5.608 -1.312 1.00 43.35 C ATOM 1230 CG TYR A 79 11.961 -6.355 -2.580 1.00 52.01 C ATOM 1231 CD1 TYR A 79 12.892 -5.852 -3.483 1.00 12.53 C ATOM 1232 CD2 TYR A 79 11.216 -7.505 -2.882 1.00 71.12 C ATOM 1233 CE1 TYR A 79 13.151 -6.517 -4.665 1.00 44.23 C ATOM 1234 CE2 TYR A 79 11.459 -8.170 -4.090 1.00 1.31 C ATOM 1235 CZ TYR A 79 12.454 -7.705 -4.979 1.00 34.51 C ATOM 1236 OH TYR A 79 12.714 -8.383 -6.127 1.00 1.24 O ATOM 0 H TYR A 79 13.599 -6.765 0.555 1.00 63.31 H new ATOM 0 HA TYR A 79 13.552 -4.459 -1.258 1.00 2.42 H new ATOM 0 HB2 TYR A 79 11.193 -6.251 -0.631 1.00 43.35 H new ATOM 0 HB3 TYR A 79 11.116 -4.748 -1.529 1.00 43.35 H new ATOM 0 HD1 TYR A 79 13.416 -4.935 -3.258 1.00 12.53 H new ATOM 0 HD2 TYR A 79 10.468 -7.871 -2.194 1.00 71.12 H new ATOM 0 HE1 TYR A 79 13.888 -6.128 -5.351 1.00 44.23 H new ATOM 0 HE2 TYR A 79 10.881 -9.046 -4.344 1.00 1.31 H new ATOM 0 HH TYR A 79 12.054 -8.137 -6.809 1.00 1.24 H new ATOM 1246 N LYS A 80 13.548 -3.950 1.524 1.00 23.52 N ATOM 1247 CA LYS A 80 13.242 -3.062 2.640 1.00 31.22 C ATOM 1248 C LYS A 80 13.041 -1.607 2.185 1.00 32.42 C ATOM 1249 O LYS A 80 12.339 -0.878 2.885 1.00 22.15 O ATOM 1250 CB LYS A 80 14.319 -3.201 3.729 1.00 40.40 C ATOM 1251 CG LYS A 80 14.421 -4.609 4.337 1.00 72.22 C ATOM 1252 CD LYS A 80 13.180 -4.989 5.150 1.00 12.55 C ATOM 1253 CE LYS A 80 13.373 -6.311 5.887 1.00 41.03 C ATOM 1254 NZ LYS A 80 14.203 -6.160 7.100 1.00 22.50 N ATOM 0 H LYS A 80 14.508 -4.293 1.494 1.00 23.52 H new ATOM 0 HA LYS A 80 12.288 -3.364 3.072 1.00 31.22 H new ATOM 0 HB2 LYS A 80 15.286 -2.929 3.305 1.00 40.40 H new ATOM 0 HB3 LYS A 80 14.109 -2.488 4.526 1.00 40.40 H new ATOM 0 HG2 LYS A 80 14.565 -5.337 3.538 1.00 72.22 H new ATOM 0 HG3 LYS A 80 15.301 -4.661 4.978 1.00 72.22 H new ATOM 0 HD2 LYS A 80 12.960 -4.200 5.869 1.00 12.55 H new ATOM 0 HD3 LYS A 80 12.319 -5.064 4.486 1.00 12.55 H new ATOM 0 HE2 LYS A 80 12.400 -6.716 6.164 1.00 41.03 H new ATOM 0 HE3 LYS A 80 13.840 -7.033 5.217 1.00 41.03 H new ATOM 0 HZ1 LYS A 80 14.306 -7.083 7.567 1.00 22.50 H new ATOM 0 HZ2 LYS A 80 15.142 -5.799 6.836 1.00 22.50 H new ATOM 0 HZ3 LYS A 80 13.746 -5.491 7.752 1.00 22.50 H new ATOM 1268 N GLN A 81 13.624 -1.157 1.062 1.00 50.20 N ATOM 1269 CA GLN A 81 13.905 0.276 0.856 1.00 54.22 C ATOM 1270 C GLN A 81 13.610 0.810 -0.552 1.00 51.41 C ATOM 1271 O GLN A 81 14.192 1.827 -0.946 1.00 75.25 O ATOM 1272 CB GLN A 81 15.364 0.571 1.257 1.00 2.23 C ATOM 1273 CG GLN A 81 15.746 0.009 2.631 1.00 42.31 C ATOM 1274 CD GLN A 81 16.993 0.665 3.209 1.00 52.41 C ATOM 1275 OE1 GLN A 81 16.932 1.772 3.743 1.00 21.44 O ATOM 1276 NE2 GLN A 81 18.132 -0.005 3.156 1.00 73.13 N ATOM 0 H GLN A 81 13.908 -1.758 0.288 1.00 50.20 H new ATOM 0 HA GLN A 81 13.206 0.812 1.498 1.00 54.22 H new ATOM 0 HB2 GLN A 81 16.031 0.152 0.504 1.00 2.23 H new ATOM 0 HB3 GLN A 81 15.521 1.650 1.258 1.00 2.23 H new ATOM 0 HG2 GLN A 81 14.914 0.150 3.321 1.00 42.31 H new ATOM 0 HG3 GLN A 81 15.912 -1.065 2.546 1.00 42.31 H new ATOM 0 HE21 GLN A 81 18.164 -0.921 2.709 1.00 73.13 H new ATOM 0 HE22 GLN A 81 18.978 0.395 3.562 1.00 73.13 H new ATOM 1285 N LEU A 82 12.764 0.150 -1.353 1.00 30.44 N ATOM 1286 CA LEU A 82 12.676 0.483 -2.779 1.00 50.45 C ATOM 1287 C LEU A 82 12.041 1.852 -3.034 1.00 15.44 C ATOM 1288 O LEU A 82 12.220 2.392 -4.119 1.00 3.52 O ATOM 1289 CB LEU A 82 12.108 -0.648 -3.679 1.00 53.34 C ATOM 1290 CG LEU A 82 12.501 -2.073 -3.234 1.00 74.41 C ATOM 1291 CD1 LEU A 82 14.005 -2.142 -2.928 1.00 60.13 C ATOM 1292 CD2 LEU A 82 11.453 -2.521 -2.258 1.00 11.04 C ATOM 0 H LEU A 82 12.144 -0.600 -1.047 1.00 30.44 H new ATOM 0 HA LEU A 82 13.713 0.570 -3.104 1.00 50.45 H new ATOM 0 HB2 LEU A 82 11.021 -0.572 -3.695 1.00 53.34 H new ATOM 0 HB3 LEU A 82 12.453 -0.491 -4.701 1.00 53.34 H new ATOM 0 HG LEU A 82 12.466 -2.856 -3.992 1.00 74.41 H new ATOM 0 HD11 LEU A 82 14.267 -3.153 -2.616 1.00 60.13 H new ATOM 0 HD12 LEU A 82 14.571 -1.881 -3.822 1.00 60.13 H new ATOM 0 HD13 LEU A 82 14.246 -1.441 -2.129 1.00 60.13 H new ATOM 0 HD21 LEU A 82 11.685 -3.528 -1.911 1.00 11.04 H new ATOM 0 HD22 LEU A 82 11.433 -1.840 -1.407 1.00 11.04 H new ATOM 0 HD23 LEU A 82 10.478 -2.521 -2.746 1.00 11.04 H new ATOM 1304 N LEU A 83 11.421 2.483 -2.028 1.00 42.51 N ATOM 1305 CA LEU A 83 11.057 3.900 -2.099 1.00 43.44 C ATOM 1306 C LEU A 83 12.251 4.831 -2.316 1.00 62.11 C ATOM 1307 O LEU A 83 12.052 5.955 -2.773 1.00 41.14 O ATOM 1308 CB LEU A 83 10.329 4.347 -0.820 1.00 72.43 C ATOM 1309 CG LEU A 83 8.800 4.329 -0.928 1.00 32.42 C ATOM 1310 CD1 LEU A 83 8.218 4.841 0.390 1.00 53.11 C ATOM 1311 CD2 LEU A 83 8.271 5.210 -2.061 1.00 23.53 C ATOM 0 H LEU A 83 11.161 2.030 -1.152 1.00 42.51 H new ATOM 0 HA LEU A 83 10.403 3.980 -2.967 1.00 43.44 H new ATOM 0 HB2 LEU A 83 10.632 3.699 0.002 1.00 72.43 H new ATOM 0 HB3 LEU A 83 10.652 5.356 -0.565 1.00 72.43 H new ATOM 0 HG LEU A 83 8.499 3.303 -1.141 1.00 32.42 H new ATOM 0 HD11 LEU A 83 7.129 4.836 0.333 1.00 53.11 H new ATOM 0 HD12 LEU A 83 8.542 4.195 1.206 1.00 53.11 H new ATOM 0 HD13 LEU A 83 8.567 5.858 0.571 1.00 53.11 H new ATOM 0 HD21 LEU A 83 7.183 5.155 -2.086 1.00 23.53 H new ATOM 0 HD22 LEU A 83 8.579 6.242 -1.893 1.00 23.53 H new ATOM 0 HD23 LEU A 83 8.674 4.861 -3.012 1.00 23.53 H new ATOM 1323 N LYS A 84 13.482 4.415 -2.013 1.00 2.45 N ATOM 1324 CA LYS A 84 14.661 5.159 -2.436 1.00 44.03 C ATOM 1325 C LYS A 84 15.271 4.487 -3.656 1.00 42.25 C ATOM 1326 O LYS A 84 15.740 5.189 -4.545 1.00 22.13 O ATOM 1327 CB LYS A 84 15.634 5.380 -1.267 1.00 14.41 C ATOM 1328 CG LYS A 84 16.921 6.063 -1.758 1.00 10.30 C ATOM 1329 CD LYS A 84 17.566 7.050 -0.779 1.00 60.32 C ATOM 1330 CE LYS A 84 18.112 6.379 0.487 1.00 53.23 C ATOM 1331 NZ LYS A 84 19.283 7.113 1.008 1.00 0.00 N ATOM 0 H LYS A 84 13.684 3.570 -1.478 1.00 2.45 H new ATOM 0 HA LYS A 84 14.381 6.166 -2.746 1.00 44.03 H new ATOM 0 HB2 LYS A 84 15.159 5.994 -0.502 1.00 14.41 H new ATOM 0 HB3 LYS A 84 15.877 4.424 -0.803 1.00 14.41 H new ATOM 0 HG2 LYS A 84 17.651 5.290 -1.999 1.00 10.30 H new ATOM 0 HG3 LYS A 84 16.699 6.592 -2.685 1.00 10.30 H new ATOM 0 HD2 LYS A 84 18.378 7.573 -1.284 1.00 60.32 H new ATOM 0 HD3 LYS A 84 16.830 7.802 -0.495 1.00 60.32 H new ATOM 0 HE2 LYS A 84 17.333 6.341 1.248 1.00 53.23 H new ATOM 0 HE3 LYS A 84 18.392 5.349 0.266 1.00 53.23 H new ATOM 0 HZ1 LYS A 84 19.636 6.641 1.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 20.033 7.127 0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 19.006 8.089 1.239 1.00 0.00 H new ATOM 1345 N GLU A 85 15.247 3.159 -3.712 1.00 4.11 N ATOM 1346 CA GLU A 85 15.955 2.428 -4.763 1.00 44.22 C ATOM 1347 C GLU A 85 15.366 2.701 -6.160 1.00 43.31 C ATOM 1348 O GLU A 85 16.118 2.789 -7.126 1.00 32.44 O ATOM 1349 CB GLU A 85 16.001 0.934 -4.476 1.00 51.12 C ATOM 1350 CG GLU A 85 16.545 0.628 -3.072 1.00 52.11 C ATOM 1351 CD GLU A 85 18.004 0.194 -3.062 1.00 15.01 C ATOM 1352 OE1 GLU A 85 18.256 -1.024 -3.212 1.00 43.20 O ATOM 1353 OE2 GLU A 85 18.871 1.074 -2.857 1.00 30.43 O ATOM 0 H GLU A 85 14.749 2.568 -3.047 1.00 4.11 H new ATOM 0 HA GLU A 85 16.979 2.801 -4.763 1.00 44.22 H new ATOM 0 HB2 GLU A 85 14.999 0.516 -4.574 1.00 51.12 H new ATOM 0 HB3 GLU A 85 16.626 0.442 -5.221 1.00 51.12 H new ATOM 0 HG2 GLU A 85 16.435 1.515 -2.448 1.00 52.11 H new ATOM 0 HG3 GLU A 85 15.939 -0.157 -2.620 1.00 52.11 H new ATOM 1360 N GLU A 86 14.038 2.834 -6.285 1.00 1.43 N ATOM 1361 CA GLU A 86 13.332 2.935 -7.568 1.00 12.12 C ATOM 1362 C GLU A 86 12.781 4.352 -7.779 1.00 22.13 C ATOM 1363 O GLU A 86 12.503 4.781 -8.901 1.00 1.52 O ATOM 1364 CB GLU A 86 12.155 1.949 -7.544 1.00 20.02 C ATOM 1365 CG GLU A 86 12.538 0.491 -7.277 1.00 50.11 C ATOM 1366 CD GLU A 86 13.041 -0.233 -8.510 1.00 75.43 C ATOM 1367 OE1 GLU A 86 14.270 -0.187 -8.756 1.00 30.01 O ATOM 1368 OE2 GLU A 86 12.244 -1.019 -9.080 1.00 22.14 O ATOM 0 H GLU A 86 13.413 2.875 -5.480 1.00 1.43 H new ATOM 0 HA GLU A 86 14.025 2.707 -8.377 1.00 12.12 H new ATOM 0 HB2 GLU A 86 11.448 2.269 -6.779 1.00 20.02 H new ATOM 0 HB3 GLU A 86 11.636 2.003 -8.501 1.00 20.02 H new ATOM 0 HG2 GLU A 86 13.309 0.460 -6.507 1.00 50.11 H new ATOM 0 HG3 GLU A 86 11.671 -0.038 -6.882 1.00 50.11 H new ATOM 1375 N LEU A 87 12.609 5.088 -6.677 1.00 15.31 N ATOM 1376 CA LEU A 87 12.010 6.411 -6.660 1.00 2.02 C ATOM 1377 C LEU A 87 13.059 7.427 -6.245 1.00 12.32 C ATOM 1378 O LEU A 87 13.482 8.238 -7.069 1.00 43.24 O ATOM 1379 CB LEU A 87 10.745 6.455 -5.781 1.00 55.20 C ATOM 1380 CG LEU A 87 9.500 5.888 -6.477 1.00 72.33 C ATOM 1381 CD1 LEU A 87 9.354 4.412 -6.256 1.00 42.32 C ATOM 1382 CD2 LEU A 87 8.159 6.462 -5.992 1.00 41.34 C ATOM 0 H LEU A 87 12.892 4.765 -5.752 1.00 15.31 H new ATOM 0 HA LEU A 87 11.669 6.668 -7.663 1.00 2.02 H new ATOM 0 HB2 LEU A 87 10.928 5.893 -4.865 1.00 55.20 H new ATOM 0 HB3 LEU A 87 10.550 7.487 -5.488 1.00 55.20 H new ATOM 0 HG LEU A 87 9.680 6.162 -7.517 1.00 72.33 H new ATOM 0 HD11 LEU A 87 8.460 4.054 -6.767 1.00 42.32 H new ATOM 0 HD12 LEU A 87 10.229 3.896 -6.652 1.00 42.32 H new ATOM 0 HD13 LEU A 87 9.267 4.211 -5.188 1.00 42.32 H new ATOM 0 HD21 LEU A 87 7.343 5.997 -6.545 1.00 41.34 H new ATOM 0 HD22 LEU A 87 8.039 6.257 -4.928 1.00 41.34 H new ATOM 0 HD23 LEU A 87 8.143 7.539 -6.158 1.00 41.34 H new ATOM 1394 N GLY A 88 13.443 7.415 -4.969 1.00 65.05 N ATOM 1395 CA GLY A 88 14.374 8.380 -4.400 1.00 51.12 C ATOM 1396 C GLY A 88 13.746 9.207 -3.285 1.00 11.20 C ATOM 1397 O GLY A 88 14.224 10.311 -3.015 1.00 13.35 O ATOM 0 H GLY A 88 13.110 6.725 -4.296 1.00 65.05 H new ATOM 0 HA2 GLY A 88 15.246 7.854 -4.011 1.00 51.12 H new ATOM 0 HA3 GLY A 88 14.728 9.046 -5.187 1.00 51.12 H new ATOM 1401 N PHE A 89 12.669 8.740 -2.650 1.00 34.22 N ATOM 1402 CA PHE A 89 12.136 9.380 -1.458 1.00 12.42 C ATOM 1403 C PHE A 89 12.969 9.021 -0.226 1.00 62.02 C ATOM 1404 O PHE A 89 13.801 8.110 -0.241 1.00 23.41 O ATOM 1405 CB PHE A 89 10.655 9.061 -1.302 1.00 70.11 C ATOM 1406 CG PHE A 89 9.970 9.702 -0.118 1.00 73.12 C ATOM 1407 CD1 PHE A 89 9.770 11.096 -0.100 1.00 24.22 C ATOM 1408 CD2 PHE A 89 9.499 8.907 0.941 1.00 1.42 C ATOM 1409 CE1 PHE A 89 9.094 11.692 0.975 1.00 42.50 C ATOM 1410 CE2 PHE A 89 8.816 9.508 2.010 1.00 11.31 C ATOM 1411 CZ PHE A 89 8.617 10.899 2.029 1.00 65.13 C ATOM 0 H PHE A 89 12.150 7.914 -2.949 1.00 34.22 H new ATOM 0 HA PHE A 89 12.211 10.462 -1.566 1.00 12.42 H new ATOM 0 HB2 PHE A 89 10.137 9.371 -2.210 1.00 70.11 H new ATOM 0 HB3 PHE A 89 10.541 7.980 -1.223 1.00 70.11 H new ATOM 0 HD1 PHE A 89 10.137 11.705 -0.913 1.00 24.22 H new ATOM 0 HD2 PHE A 89 9.662 7.839 0.932 1.00 1.42 H new ATOM 0 HE1 PHE A 89 8.941 12.761 0.991 1.00 42.50 H new ATOM 0 HE2 PHE A 89 8.442 8.900 2.820 1.00 11.31 H new ATOM 0 HZ PHE A 89 8.096 11.358 2.856 1.00 65.13 H new ATOM 1567 N ARG A 100 -0.761 11.936 9.037 1.00 21.44 N ATOM 1568 CA ARG A 100 -1.584 11.761 7.858 1.00 22.10 C ATOM 1569 C ARG A 100 -0.732 11.504 6.607 1.00 41.40 C ATOM 1570 O ARG A 100 -1.181 10.818 5.688 1.00 10.00 O ATOM 1571 CB ARG A 100 -2.458 13.022 7.784 1.00 60.12 C ATOM 1572 CG ARG A 100 -3.153 13.194 6.444 1.00 50.21 C ATOM 1573 CD ARG A 100 -4.111 14.382 6.507 1.00 4.42 C ATOM 1574 NE ARG A 100 -4.841 14.542 5.247 1.00 52.15 N ATOM 1575 CZ ARG A 100 -4.957 15.645 4.507 1.00 54.24 C ATOM 1576 NH1 ARG A 100 -4.235 16.726 4.776 1.00 5.43 N ATOM 1577 NH2 ARG A 100 -5.815 15.644 3.494 1.00 53.43 N ATOM 0 HA ARG A 100 -2.218 10.876 7.914 1.00 22.10 H new ATOM 0 HB2 ARG A 100 -3.209 12.982 8.573 1.00 60.12 H new ATOM 0 HB3 ARG A 100 -1.838 13.897 7.979 1.00 60.12 H new ATOM 0 HG2 ARG A 100 -2.414 13.352 5.658 1.00 50.21 H new ATOM 0 HG3 ARG A 100 -3.700 12.287 6.189 1.00 50.21 H new ATOM 0 HD2 ARG A 100 -4.818 14.239 7.324 1.00 4.42 H new ATOM 0 HD3 ARG A 100 -3.552 15.292 6.724 1.00 4.42 H new ATOM 0 HE ARG A 100 -5.317 13.712 4.894 1.00 52.15 H new ATOM 0 HH11 ARG A 100 -3.580 16.720 5.558 1.00 5.43 H new ATOM 0 HH12 ARG A 100 -4.335 17.562 4.201 1.00 5.43 H new ATOM 0 HH21 ARG A 100 -6.369 14.811 3.295 1.00 53.43 H new ATOM 0 HH22 ARG A 100 -5.921 16.477 2.914 1.00 53.43 H new ATOM 1591 N LYS A 101 0.493 12.040 6.556 1.00 51.24 N ATOM 1592 CA LYS A 101 1.337 12.002 5.365 1.00 21.05 C ATOM 1593 C LYS A 101 2.425 10.941 5.522 1.00 60.34 C ATOM 1594 O LYS A 101 2.778 10.288 4.538 1.00 22.11 O ATOM 1595 CB LYS A 101 1.828 13.421 5.009 1.00 43.31 C ATOM 1596 CG LYS A 101 3.196 13.825 5.554 1.00 11.44 C ATOM 1597 CD LYS A 101 3.549 15.296 5.284 1.00 4.20 C ATOM 1598 CE LYS A 101 3.680 15.804 3.850 1.00 22.00 C ATOM 1599 NZ LYS A 101 2.432 16.338 3.270 1.00 11.24 N ATOM 0 H LYS A 101 0.926 12.515 7.348 1.00 51.24 H new ATOM 0 HA LYS A 101 0.764 11.684 4.494 1.00 21.05 H new ATOM 0 HB2 LYS A 101 1.853 13.511 3.923 1.00 43.31 H new ATOM 0 HB3 LYS A 101 1.091 14.138 5.371 1.00 43.31 H new ATOM 0 HG2 LYS A 101 3.219 13.645 6.629 1.00 11.44 H new ATOM 0 HG3 LYS A 101 3.960 13.188 5.108 1.00 11.44 H new ATOM 0 HD2 LYS A 101 2.790 15.906 5.775 1.00 4.20 H new ATOM 0 HD3 LYS A 101 4.495 15.499 5.786 1.00 4.20 H new ATOM 0 HE2 LYS A 101 4.440 16.584 3.823 1.00 22.00 H new ATOM 0 HE3 LYS A 101 4.038 14.989 3.221 1.00 22.00 H new ATOM 0 HZ1 LYS A 101 2.658 16.926 2.442 1.00 11.24 H new ATOM 0 HZ2 LYS A 101 1.820 15.550 2.978 1.00 11.24 H new ATOM 0 HZ3 LYS A 101 1.938 16.915 3.980 1.00 11.24 H new ATOM 1613 N THR A 102 2.900 10.692 6.743 1.00 2.54 N ATOM 1614 CA THR A 102 3.877 9.637 6.987 1.00 0.05 C ATOM 1615 C THR A 102 3.274 8.267 6.688 1.00 44.40 C ATOM 1616 O THR A 102 3.827 7.473 5.930 1.00 72.44 O ATOM 1617 CB THR A 102 4.428 9.721 8.418 1.00 4.33 C ATOM 1618 OG1 THR A 102 3.392 9.742 9.380 1.00 12.31 O ATOM 1619 CG2 THR A 102 5.249 10.993 8.595 1.00 45.24 C ATOM 0 H THR A 102 2.622 11.209 7.577 1.00 2.54 H new ATOM 0 HA THR A 102 4.719 9.779 6.309 1.00 0.05 H new ATOM 0 HB THR A 102 5.045 8.835 8.569 1.00 4.33 H new ATOM 0 HG1 THR A 102 3.781 9.794 10.278 1.00 12.31 H new ATOM 0 HG21 THR A 102 5.633 11.039 9.614 1.00 45.24 H new ATOM 0 HG22 THR A 102 6.083 10.989 7.893 1.00 45.24 H new ATOM 0 HG23 THR A 102 4.619 11.862 8.405 1.00 45.24 H new ATOM 1627 N ARG A 103 2.087 7.996 7.232 1.00 75.25 N ATOM 1628 CA ARG A 103 1.452 6.686 7.121 1.00 43.22 C ATOM 1629 C ARG A 103 1.226 6.270 5.677 1.00 61.25 C ATOM 1630 O ARG A 103 1.394 5.091 5.353 1.00 3.34 O ATOM 1631 CB ARG A 103 0.141 6.700 7.907 1.00 40.55 C ATOM 1632 CG ARG A 103 0.453 6.725 9.405 1.00 4.44 C ATOM 1633 CD ARG A 103 -0.836 6.789 10.210 1.00 73.13 C ATOM 1634 NE ARG A 103 -0.567 6.964 11.645 1.00 74.42 N ATOM 1635 CZ ARG A 103 -1.378 7.610 12.490 1.00 3.22 C ATOM 1636 NH1 ARG A 103 -2.588 7.977 12.093 1.00 53.15 N ATOM 1637 NH2 ARG A 103 -0.960 7.890 13.719 1.00 34.12 N ATOM 0 H ARG A 103 1.542 8.677 7.760 1.00 75.25 H new ATOM 0 HA ARG A 103 2.125 5.941 7.545 1.00 43.22 H new ATOM 0 HB2 ARG A 103 -0.452 7.572 7.632 1.00 40.55 H new ATOM 0 HB3 ARG A 103 -0.453 5.820 7.662 1.00 40.55 H new ATOM 0 HG2 ARG A 103 1.019 5.835 9.681 1.00 4.44 H new ATOM 0 HG3 ARG A 103 1.079 7.586 9.639 1.00 4.44 H new ATOM 0 HD2 ARG A 103 -1.450 7.615 9.851 1.00 73.13 H new ATOM 0 HD3 ARG A 103 -1.409 5.875 10.055 1.00 73.13 H new ATOM 0 HE ARG A 103 0.294 6.567 12.021 1.00 74.42 H new ATOM 0 HH11 ARG A 103 -2.899 7.767 11.145 1.00 53.15 H new ATOM 0 HH12 ARG A 103 -3.208 8.470 12.736 1.00 53.15 H new ATOM 0 HH21 ARG A 103 -0.024 7.613 14.015 1.00 34.12 H new ATOM 0 HH22 ARG A 103 -1.575 8.382 14.367 1.00 34.12 H new ATOM 1651 N ARG A 104 0.865 7.206 4.794 1.00 44.11 N ATOM 1652 CA ARG A 104 0.729 6.872 3.382 1.00 44.33 C ATOM 1653 C ARG A 104 2.083 6.443 2.806 1.00 40.22 C ATOM 1654 O ARG A 104 2.136 5.428 2.122 1.00 55.12 O ATOM 1655 CB ARG A 104 -0.034 7.959 2.599 1.00 32.53 C ATOM 1656 CG ARG A 104 0.595 9.354 2.674 1.00 32.14 C ATOM 1657 CD ARG A 104 -0.090 10.412 1.803 1.00 30.41 C ATOM 1658 NE ARG A 104 -1.269 11.023 2.432 1.00 41.43 N ATOM 1659 CZ ARG A 104 -1.984 11.999 1.856 1.00 33.22 C ATOM 1660 NH1 ARG A 104 -1.528 12.627 0.778 1.00 72.35 N ATOM 1661 NH2 ARG A 104 -3.164 12.339 2.347 1.00 41.34 N ATOM 0 H ARG A 104 0.667 8.179 5.029 1.00 44.11 H new ATOM 0 HA ARG A 104 0.086 5.999 3.268 1.00 44.33 H new ATOM 0 HB2 ARG A 104 -0.098 7.659 1.553 1.00 32.53 H new ATOM 0 HB3 ARG A 104 -1.055 8.013 2.978 1.00 32.53 H new ATOM 0 HG2 ARG A 104 0.578 9.690 3.711 1.00 32.14 H new ATOM 0 HG3 ARG A 104 1.642 9.282 2.379 1.00 32.14 H new ATOM 0 HD2 ARG A 104 0.630 11.195 1.564 1.00 30.41 H new ATOM 0 HD3 ARG A 104 -0.389 9.955 0.859 1.00 30.41 H new ATOM 0 HE ARG A 104 -1.557 10.688 3.351 1.00 41.43 H new ATOM 0 HH11 ARG A 104 -0.625 12.368 0.380 1.00 72.35 H new ATOM 0 HH12 ARG A 104 -2.081 13.368 0.348 1.00 72.35 H new ATOM 0 HH21 ARG A 104 -3.533 11.858 3.167 1.00 41.34 H new ATOM 0 HH22 ARG A 104 -3.705 13.083 1.906 1.00 41.34 H new ATOM 1675 N ALA A 105 3.195 7.104 3.149 1.00 35.52 N ATOM 1676 CA ALA A 105 4.517 6.691 2.677 1.00 54.40 C ATOM 1677 C ALA A 105 4.915 5.285 3.157 1.00 34.34 C ATOM 1678 O ALA A 105 5.689 4.613 2.470 1.00 33.32 O ATOM 1679 CB ALA A 105 5.577 7.717 3.084 1.00 44.41 C ATOM 0 H ALA A 105 3.203 7.927 3.752 1.00 35.52 H new ATOM 0 HA ALA A 105 4.459 6.644 1.590 1.00 54.40 H new ATOM 0 HB1 ALA A 105 6.554 7.393 2.725 1.00 44.41 H new ATOM 0 HB2 ALA A 105 5.332 8.685 2.648 1.00 44.41 H new ATOM 0 HB3 ALA A 105 5.601 7.804 4.170 1.00 44.41 H new ATOM 1685 N THR A 106 4.405 4.805 4.299 1.00 22.20 N ATOM 1686 CA THR A 106 4.608 3.419 4.722 1.00 12.53 C ATOM 1687 C THR A 106 4.014 2.450 3.695 1.00 62.34 C ATOM 1688 O THR A 106 4.650 1.443 3.371 1.00 62.42 O ATOM 1689 CB THR A 106 3.965 3.183 6.106 1.00 55.35 C ATOM 1690 OG1 THR A 106 4.368 4.160 7.051 1.00 61.32 O ATOM 1691 CG2 THR A 106 4.261 1.793 6.680 1.00 4.12 C ATOM 0 H THR A 106 3.847 5.361 4.947 1.00 22.20 H new ATOM 0 HA THR A 106 5.680 3.235 4.794 1.00 12.53 H new ATOM 0 HB THR A 106 2.892 3.261 5.932 1.00 55.35 H new ATOM 0 HG1 THR A 106 3.939 3.978 7.913 1.00 61.32 H new ATOM 0 HG21 THR A 106 3.781 1.691 7.653 1.00 4.12 H new ATOM 0 HG22 THR A 106 3.875 1.030 6.004 1.00 4.12 H new ATOM 0 HG23 THR A 106 5.338 1.667 6.792 1.00 4.12 H new ATOM 1699 N MET A 107 2.789 2.695 3.214 1.00 33.45 N ATOM 1700 CA MET A 107 2.114 1.726 2.365 1.00 72.14 C ATOM 1701 C MET A 107 2.731 1.722 0.965 1.00 1.04 C ATOM 1702 O MET A 107 2.874 0.653 0.381 1.00 3.24 O ATOM 1703 CB MET A 107 0.593 1.935 2.408 1.00 73.32 C ATOM 1704 CG MET A 107 0.036 3.035 1.495 1.00 0.34 C ATOM 1705 SD MET A 107 -1.345 3.981 2.197 1.00 64.53 S ATOM 1706 CE MET A 107 -2.617 2.702 2.309 1.00 11.15 C ATOM 0 H MET A 107 2.257 3.546 3.399 1.00 33.45 H new ATOM 0 HA MET A 107 2.269 0.717 2.748 1.00 72.14 H new ATOM 0 HB2 MET A 107 0.110 0.994 2.145 1.00 73.32 H new ATOM 0 HB3 MET A 107 0.307 2.164 3.435 1.00 73.32 H new ATOM 0 HG2 MET A 107 0.842 3.725 1.248 1.00 0.34 H new ATOM 0 HG3 MET A 107 -0.292 2.580 0.560 1.00 0.34 H new ATOM 0 HE1 MET A 107 -3.478 3.092 2.852 1.00 11.15 H new ATOM 0 HE2 MET A 107 -2.924 2.406 1.306 1.00 11.15 H new ATOM 0 HE3 MET A 107 -2.217 1.836 2.837 1.00 11.15 H new ATOM 1716 N THR A 108 3.211 2.867 0.470 1.00 54.21 N ATOM 1717 CA THR A 108 3.878 2.971 -0.823 1.00 51.11 C ATOM 1718 C THR A 108 5.046 1.981 -0.917 1.00 24.35 C ATOM 1719 O THR A 108 5.154 1.279 -1.916 1.00 61.44 O ATOM 1720 CB THR A 108 4.329 4.425 -1.040 1.00 14.02 C ATOM 1721 OG1 THR A 108 3.356 5.322 -0.560 1.00 21.21 O ATOM 1722 CG2 THR A 108 4.598 4.777 -2.499 1.00 33.04 C ATOM 0 H THR A 108 3.144 3.756 0.965 1.00 54.21 H new ATOM 0 HA THR A 108 3.183 2.705 -1.619 1.00 51.11 H new ATOM 0 HB THR A 108 5.266 4.515 -0.490 1.00 14.02 H new ATOM 0 HG1 THR A 108 2.724 5.534 -1.278 1.00 21.21 H new ATOM 0 HG21 THR A 108 4.911 5.819 -2.570 1.00 33.04 H new ATOM 0 HG22 THR A 108 5.386 4.133 -2.889 1.00 33.04 H new ATOM 0 HG23 THR A 108 3.689 4.631 -3.082 1.00 33.04 H new ATOM 1730 N ASN A 109 5.890 1.847 0.121 1.00 14.02 N ATOM 1731 CA ASN A 109 7.033 0.925 0.051 1.00 3.20 C ATOM 1732 C ASN A 109 6.599 -0.534 -0.133 1.00 14.22 C ATOM 1733 O ASN A 109 7.286 -1.309 -0.795 1.00 10.50 O ATOM 1734 CB ASN A 109 7.943 1.038 1.282 1.00 2.11 C ATOM 1735 CG ASN A 109 9.270 0.334 0.987 1.00 13.44 C ATOM 1736 OD1 ASN A 109 10.104 0.861 0.256 1.00 13.44 O ATOM 1737 ND2 ASN A 109 9.493 -0.851 1.530 1.00 61.51 N ATOM 0 H ASN A 109 5.804 2.355 1.001 1.00 14.02 H new ATOM 0 HA ASN A 109 7.598 1.228 -0.830 1.00 3.20 H new ATOM 0 HB2 ASN A 109 8.119 2.086 1.525 1.00 2.11 H new ATOM 0 HB3 ASN A 109 7.461 0.586 2.149 1.00 2.11 H new ATOM 0 HD21 ASN A 109 10.368 -1.341 1.344 1.00 61.51 H new ATOM 0 HD22 ASN A 109 8.790 -1.275 2.135 1.00 61.51 H new ATOM 1744 N TRP A 110 5.449 -0.915 0.432 1.00 23.42 N ATOM 1745 CA TRP A 110 4.887 -2.246 0.242 1.00 40.34 C ATOM 1746 C TRP A 110 4.458 -2.458 -1.216 1.00 72.41 C ATOM 1747 O TRP A 110 4.633 -3.561 -1.731 1.00 41.33 O ATOM 1748 CB TRP A 110 3.727 -2.470 1.225 1.00 2.42 C ATOM 1749 CG TRP A 110 2.877 -3.664 0.934 1.00 74.41 C ATOM 1750 CD1 TRP A 110 2.934 -4.863 1.549 1.00 53.12 C ATOM 1751 CD2 TRP A 110 1.764 -3.762 -0.001 1.00 64.30 C ATOM 1752 NE1 TRP A 110 2.055 -5.740 0.942 1.00 22.00 N ATOM 1753 CE2 TRP A 110 1.329 -5.114 -0.045 1.00 22.12 C ATOM 1754 CE3 TRP A 110 1.053 -2.831 -0.782 1.00 42.02 C ATOM 1755 CZ2 TRP A 110 0.329 -5.543 -0.922 1.00 72.40 C ATOM 1756 CZ3 TRP A 110 -0.003 -3.237 -1.617 1.00 60.45 C ATOM 1757 CH2 TRP A 110 -0.339 -4.597 -1.714 1.00 62.31 C ATOM 0 H TRP A 110 4.888 -0.309 1.030 1.00 23.42 H new ATOM 0 HA TRP A 110 5.654 -2.990 0.455 1.00 40.34 H new ATOM 0 HB2 TRP A 110 4.136 -2.570 2.230 1.00 2.42 H new ATOM 0 HB3 TRP A 110 3.094 -1.583 1.225 1.00 2.42 H new ATOM 0 HD1 TRP A 110 3.570 -5.102 2.389 1.00 53.12 H new ATOM 0 HE1 TRP A 110 1.957 -6.724 1.193 1.00 22.00 H new ATOM 0 HE3 TRP A 110 1.324 -1.786 -0.739 1.00 42.02 H new ATOM 0 HZ2 TRP A 110 0.073 -6.590 -0.989 1.00 72.40 H new ATOM 0 HZ3 TRP A 110 -0.556 -2.503 -2.184 1.00 60.45 H new ATOM 0 HH2 TRP A 110 -1.112 -4.915 -2.398 1.00 62.31 H new ATOM 1768 N LEU A 111 3.950 -1.428 -1.907 1.00 60.55 N ATOM 1769 CA LEU A 111 3.514 -1.577 -3.298 1.00 72.42 C ATOM 1770 C LEU A 111 4.698 -1.946 -4.185 1.00 44.11 C ATOM 1771 O LEU A 111 4.577 -2.809 -5.056 1.00 64.15 O ATOM 1772 CB LEU A 111 2.826 -0.306 -3.820 1.00 34.11 C ATOM 1773 CG LEU A 111 1.344 -0.196 -3.406 1.00 1.33 C ATOM 1774 CD1 LEU A 111 1.060 1.096 -2.640 1.00 14.30 C ATOM 1775 CD2 LEU A 111 0.414 -0.295 -4.611 1.00 35.44 C ATOM 0 H LEU A 111 3.832 -0.489 -1.526 1.00 60.55 H new ATOM 0 HA LEU A 111 2.780 -2.382 -3.331 1.00 72.42 H new ATOM 0 HB2 LEU A 111 3.364 0.567 -3.451 1.00 34.11 H new ATOM 0 HB3 LEU A 111 2.894 -0.286 -4.908 1.00 34.11 H new ATOM 0 HG LEU A 111 1.148 -1.039 -2.743 1.00 1.33 H new ATOM 0 HD11 LEU A 111 0.005 1.133 -2.368 1.00 14.30 H new ATOM 0 HD12 LEU A 111 1.669 1.125 -1.737 1.00 14.30 H new ATOM 0 HD13 LEU A 111 1.303 1.953 -3.269 1.00 14.30 H new ATOM 0 HD21 LEU A 111 -0.621 -0.213 -4.279 1.00 35.44 H new ATOM 0 HD22 LEU A 111 0.636 0.512 -5.309 1.00 35.44 H new ATOM 0 HD23 LEU A 111 0.562 -1.255 -5.107 1.00 35.44 H new ATOM 1787 N LEU A 112 5.867 -1.354 -3.919 1.00 4.32 N ATOM 1788 CA LEU A 112 7.096 -1.793 -4.561 1.00 61.45 C ATOM 1789 C LEU A 112 7.356 -3.248 -4.204 1.00 23.50 C ATOM 1790 O LEU A 112 7.470 -4.067 -5.104 1.00 44.11 O ATOM 1791 CB LEU A 112 8.302 -0.921 -4.196 1.00 50.13 C ATOM 1792 CG LEU A 112 8.175 0.492 -4.794 1.00 73.13 C ATOM 1793 CD1 LEU A 112 8.107 1.547 -3.689 1.00 20.01 C ATOM 1794 CD2 LEU A 112 9.316 0.813 -5.748 1.00 72.15 C ATOM 0 H LEU A 112 5.981 -0.577 -3.268 1.00 4.32 H new ATOM 0 HA LEU A 112 6.963 -1.692 -5.638 1.00 61.45 H new ATOM 0 HB2 LEU A 112 8.388 -0.852 -3.112 1.00 50.13 H new ATOM 0 HB3 LEU A 112 9.216 -1.391 -4.559 1.00 50.13 H new ATOM 0 HG LEU A 112 7.246 0.512 -5.364 1.00 73.13 H new ATOM 0 HD11 LEU A 112 8.018 2.537 -4.136 1.00 20.01 H new ATOM 0 HD12 LEU A 112 7.241 1.355 -3.056 1.00 20.01 H new ATOM 0 HD13 LEU A 112 9.014 1.502 -3.086 1.00 20.01 H new ATOM 0 HD21 LEU A 112 9.185 1.819 -6.146 1.00 72.15 H new ATOM 0 HD22 LEU A 112 10.264 0.754 -5.214 1.00 72.15 H new ATOM 0 HD23 LEU A 112 9.317 0.096 -6.569 1.00 72.15 H new ATOM 1806 N ALA A 113 7.443 -3.593 -2.917 1.00 70.41 N ATOM 1807 CA ALA A 113 7.814 -4.939 -2.475 1.00 71.02 C ATOM 1808 C ALA A 113 6.879 -6.038 -3.013 1.00 42.24 C ATOM 1809 O ALA A 113 7.266 -7.207 -3.024 1.00 40.33 O ATOM 1810 CB ALA A 113 7.877 -4.974 -0.946 1.00 54.43 C ATOM 0 H ALA A 113 7.258 -2.946 -2.151 1.00 70.41 H new ATOM 0 HA ALA A 113 8.797 -5.158 -2.892 1.00 71.02 H new ATOM 0 HB1 ALA A 113 8.153 -5.976 -0.616 1.00 54.43 H new ATOM 0 HB2 ALA A 113 8.621 -4.259 -0.596 1.00 54.43 H new ATOM 0 HB3 ALA A 113 6.902 -4.713 -0.536 1.00 54.43 H new ATOM 1816 N TYR A 114 5.679 -5.682 -3.478 1.00 15.24 N ATOM 1817 CA TYR A 114 4.816 -6.521 -4.293 1.00 42.34 C ATOM 1818 C TYR A 114 5.327 -6.591 -5.741 1.00 32.42 C ATOM 1819 O TYR A 114 5.790 -7.647 -6.172 1.00 50.44 O ATOM 1820 CB TYR A 114 3.385 -5.979 -4.202 1.00 4.44 C ATOM 1821 CG TYR A 114 2.330 -6.796 -4.927 1.00 2.11 C ATOM 1822 CD1 TYR A 114 2.101 -8.129 -4.542 1.00 11.34 C ATOM 1823 CD2 TYR A 114 1.539 -6.222 -5.943 1.00 10.52 C ATOM 1824 CE1 TYR A 114 1.083 -8.881 -5.150 1.00 62.14 C ATOM 1825 CE2 TYR A 114 0.472 -6.945 -6.506 1.00 54.31 C ATOM 1826 CZ TYR A 114 0.248 -8.287 -6.120 1.00 22.34 C ATOM 1827 OH TYR A 114 -0.817 -8.986 -6.592 1.00 73.31 O ATOM 0 H TYR A 114 5.272 -4.766 -3.287 1.00 15.24 H new ATOM 0 HA TYR A 114 4.825 -7.545 -3.920 1.00 42.34 H new ATOM 0 HB2 TYR A 114 3.107 -5.910 -3.150 1.00 4.44 H new ATOM 0 HB3 TYR A 114 3.373 -4.965 -4.602 1.00 4.44 H new ATOM 0 HD1 TYR A 114 2.713 -8.578 -3.773 1.00 11.34 H new ATOM 0 HD2 TYR A 114 1.753 -5.222 -6.291 1.00 10.52 H new ATOM 0 HE1 TYR A 114 0.939 -9.915 -4.875 1.00 62.14 H new ATOM 0 HE2 TYR A 114 -0.175 -6.476 -7.232 1.00 54.31 H new ATOM 0 HH TYR A 114 -1.297 -8.445 -7.253 1.00 73.31 H new ATOM 1837 N ARG A 115 5.263 -5.501 -6.524 1.00 20.43 N ATOM 1838 CA ARG A 115 5.562 -5.574 -7.964 1.00 74.43 C ATOM 1839 C ARG A 115 7.014 -5.958 -8.269 1.00 40.42 C ATOM 1840 O ARG A 115 7.298 -6.526 -9.326 1.00 24.21 O ATOM 1841 CB ARG A 115 5.199 -4.265 -8.673 1.00 31.12 C ATOM 1842 CG ARG A 115 6.020 -3.040 -8.213 1.00 70.25 C ATOM 1843 CD ARG A 115 6.506 -2.183 -9.392 1.00 41.21 C ATOM 1844 NE ARG A 115 7.977 -2.072 -9.413 1.00 32.00 N ATOM 1845 CZ ARG A 115 8.841 -2.625 -10.275 1.00 31.14 C ATOM 1846 NH1 ARG A 115 8.417 -3.396 -11.273 1.00 63.02 N ATOM 1847 NH2 ARG A 115 10.148 -2.436 -10.145 1.00 45.12 N ATOM 0 H ARG A 115 5.011 -4.571 -6.190 1.00 20.43 H new ATOM 0 HA ARG A 115 4.937 -6.378 -8.353 1.00 74.43 H new ATOM 0 HB2 ARG A 115 5.337 -4.397 -9.746 1.00 31.12 H new ATOM 0 HB3 ARG A 115 4.141 -4.060 -8.511 1.00 31.12 H new ATOM 0 HG2 ARG A 115 5.411 -2.427 -7.549 1.00 70.25 H new ATOM 0 HG3 ARG A 115 6.880 -3.379 -7.635 1.00 70.25 H new ATOM 0 HD2 ARG A 115 6.160 -2.622 -10.328 1.00 41.21 H new ATOM 0 HD3 ARG A 115 6.066 -1.188 -9.325 1.00 41.21 H new ATOM 0 HE ARG A 115 8.390 -1.500 -8.676 1.00 32.00 H new ATOM 0 HH11 ARG A 115 7.420 -3.574 -11.391 1.00 63.02 H new ATOM 0 HH12 ARG A 115 9.089 -3.809 -11.920 1.00 63.02 H new ATOM 0 HH21 ARG A 115 10.507 -1.863 -9.381 1.00 45.12 H new ATOM 0 HH22 ARG A 115 10.794 -2.863 -10.809 1.00 45.12 H new ATOM 1861 N ARG A 116 7.925 -5.701 -7.330 1.00 72.45 N ATOM 1862 CA ARG A 116 9.326 -6.092 -7.338 1.00 74.20 C ATOM 1863 C ARG A 116 9.485 -7.615 -7.427 1.00 54.11 C ATOM 1864 O ARG A 116 10.584 -8.096 -7.690 1.00 11.41 O ATOM 1865 CB ARG A 116 9.996 -5.555 -6.070 1.00 70.04 C ATOM 1866 CG ARG A 116 10.254 -4.038 -6.087 1.00 55.34 C ATOM 1867 CD ARG A 116 11.424 -3.654 -6.984 1.00 74.45 C ATOM 1868 NE ARG A 116 12.742 -3.744 -6.340 1.00 11.13 N ATOM 1869 CZ ARG A 116 13.883 -3.427 -6.968 1.00 1.35 C ATOM 1870 NH1 ARG A 116 13.880 -3.019 -8.221 1.00 74.52 N ATOM 1871 NH2 ARG A 116 15.054 -3.478 -6.352 1.00 12.24 N ATOM 0 H ARG A 116 7.682 -5.178 -6.488 1.00 72.45 H new ATOM 0 HA ARG A 116 9.806 -5.667 -8.220 1.00 74.20 H new ATOM 0 HB2 ARG A 116 9.369 -5.796 -5.211 1.00 70.04 H new ATOM 0 HB3 ARG A 116 10.945 -6.072 -5.927 1.00 70.04 H new ATOM 0 HG2 ARG A 116 9.355 -3.524 -6.428 1.00 55.34 H new ATOM 0 HG3 ARG A 116 10.451 -3.695 -5.071 1.00 55.34 H new ATOM 0 HD2 ARG A 116 11.418 -4.299 -7.863 1.00 74.45 H new ATOM 0 HD3 ARG A 116 11.275 -2.633 -7.337 1.00 74.45 H new ATOM 0 HE ARG A 116 12.791 -4.062 -5.372 1.00 11.13 H new ATOM 0 HH11 ARG A 116 12.999 -2.940 -8.730 1.00 74.52 H new ATOM 0 HH12 ARG A 116 14.758 -2.782 -8.682 1.00 74.52 H new ATOM 0 HH21 ARG A 116 15.104 -3.764 -5.374 1.00 12.24 H new ATOM 0 HH22 ARG A 116 15.906 -3.231 -6.855 1.00 12.24 H new ATOM 1885 N SER A 117 8.413 -8.366 -7.209 1.00 14.21 N ATOM 1886 CA SER A 117 8.357 -9.813 -7.255 1.00 54.33 C ATOM 1887 C SER A 117 7.487 -10.340 -8.411 1.00 55.34 C ATOM 1888 O SER A 117 7.558 -11.531 -8.697 1.00 53.02 O ATOM 1889 CB SER A 117 7.790 -10.277 -5.916 1.00 74.14 C ATOM 1890 OG SER A 117 8.381 -9.627 -4.804 1.00 33.14 O ATOM 0 H SER A 117 7.509 -7.952 -6.982 1.00 14.21 H new ATOM 0 HA SER A 117 9.358 -10.206 -7.431 1.00 54.33 H new ATOM 0 HB2 SER A 117 6.715 -10.099 -5.903 1.00 74.14 H new ATOM 0 HB3 SER A 117 7.937 -11.353 -5.820 1.00 74.14 H new ATOM 0 HG SER A 117 7.783 -8.921 -4.482 1.00 33.14 H new ATOM 1896 N GLN A 118 6.701 -9.486 -9.089 1.00 62.14 N ATOM 1897 CA GLN A 118 5.889 -9.845 -10.267 1.00 61.20 C ATOM 1898 C GLN A 118 6.634 -9.590 -11.577 1.00 32.42 C ATOM 1899 O GLN A 118 6.409 -10.281 -12.566 1.00 71.45 O ATOM 1900 CB GLN A 118 4.621 -8.982 -10.328 1.00 63.44 C ATOM 1901 CG GLN A 118 3.697 -9.141 -9.120 1.00 14.42 C ATOM 1902 CD GLN A 118 2.374 -8.392 -9.283 1.00 73.13 C ATOM 1903 OE1 GLN A 118 1.372 -8.819 -8.727 1.00 33.12 O ATOM 1904 NE2 GLN A 118 2.329 -7.275 -9.998 1.00 13.43 N ATOM 0 H GLN A 118 6.610 -8.504 -8.828 1.00 62.14 H new ATOM 0 HA GLN A 118 5.658 -10.905 -10.160 1.00 61.20 H new ATOM 0 HB2 GLN A 118 4.911 -7.935 -10.414 1.00 63.44 H new ATOM 0 HB3 GLN A 118 4.066 -9.234 -11.232 1.00 63.44 H new ATOM 0 HG2 GLN A 118 3.493 -10.200 -8.962 1.00 14.42 H new ATOM 0 HG3 GLN A 118 4.207 -8.778 -8.228 1.00 14.42 H new ATOM 0 HE21 GLN A 118 3.172 -6.929 -10.457 1.00 13.43 H new ATOM 0 HE22 GLN A 118 1.452 -6.762 -10.089 1.00 13.43 H new