USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 ASN : amide:sc= -0.262 K(o=-0.99,f=-4.7!) USER MOD Set 1.2: A 107 MET CE :methyl 158:sc= -0.729 (180deg=-1.19) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00368 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= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 33 TYR OH : rot -80:sc= 0.234 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00892 USER MOD Single : A 41 CYS SG : rot 33:sc= 0.624 USER MOD Single : A 43 LYS NZ :NH3+ -144:sc= 0.416 (180deg=0.0343) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.47) USER MOD Single : A 55 TYR OH : rot 0:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.378 USER MOD Single : A 68 THR OG1 : rot -150:sc= 0.016 USER MOD Single : A 70 LYS NZ :NH3+ -157:sc= 0.748 (180deg=0.428) USER MOD Single : A 72 THR OG1 : rot 80:sc= 0.43 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0167 USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.02) 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+ 180:sc= 0 (180deg=0) 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 87:sc= 0.685 USER MOD Single : A 109 ASN : amide:sc= 0.492 K(o=0.49,f=-0.2) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 73:sc= 0.491 USER MOD Single : A 118 GLN : amide:sc= -0.534 K(o=-0.53,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -2.513 -9.479 -10.804 1.00 24.21 N ATOM 19 CA GLY A 2 -1.166 -8.936 -10.808 1.00 4.45 C ATOM 20 C GLY A 2 -1.134 -7.640 -11.582 1.00 60.31 C ATOM 21 O GLY A 2 -0.692 -7.600 -12.726 1.00 43.04 O ATOM 0 HA2 GLY A 2 -0.830 -8.767 -9.785 1.00 4.45 H new ATOM 0 HA3 GLY A 2 -0.477 -9.653 -11.255 1.00 4.45 H new ATOM 25 N ILE A 3 -1.647 -6.583 -10.969 1.00 12.04 N ATOM 26 CA ILE A 3 -1.693 -5.263 -11.588 1.00 4.13 C ATOM 27 C ILE A 3 -0.255 -4.780 -11.810 1.00 14.31 C ATOM 28 O ILE A 3 0.655 -5.094 -11.032 1.00 24.34 O ATOM 29 CB ILE A 3 -2.503 -4.259 -10.732 1.00 3.24 C ATOM 30 CG1 ILE A 3 -3.797 -4.891 -10.183 1.00 44.53 C ATOM 31 CG2 ILE A 3 -2.894 -3.014 -11.557 1.00 21.24 C ATOM 32 CD1 ILE A 3 -4.468 -3.989 -9.141 1.00 60.00 C ATOM 0 H ILE A 3 -2.043 -6.614 -10.030 1.00 12.04 H new ATOM 0 HA ILE A 3 -2.207 -5.331 -12.547 1.00 4.13 H new ATOM 0 HB ILE A 3 -1.857 -3.973 -9.902 1.00 3.24 H new ATOM 0 HG12 ILE A 3 -4.489 -5.076 -11.005 1.00 44.53 H new ATOM 0 HG13 ILE A 3 -3.569 -5.858 -9.735 1.00 44.53 H new ATOM 0 HG21 ILE A 3 -3.462 -2.326 -10.931 1.00 21.24 H new ATOM 0 HG22 ILE A 3 -1.992 -2.518 -11.916 1.00 21.24 H new ATOM 0 HG23 ILE A 3 -3.504 -3.318 -12.408 1.00 21.24 H new ATOM 0 HD11 ILE A 3 -5.377 -4.468 -8.777 1.00 60.00 H new ATOM 0 HD12 ILE A 3 -3.785 -3.826 -8.307 1.00 60.00 H new ATOM 0 HD13 ILE A 3 -4.720 -3.031 -9.597 1.00 60.00 H new ATOM 44 N THR A 4 -0.079 -3.977 -12.849 1.00 51.04 N ATOM 45 CA THR A 4 1.131 -3.217 -13.115 1.00 14.44 C ATOM 46 C THR A 4 1.209 -2.040 -12.126 1.00 23.01 C ATOM 47 O THR A 4 0.185 -1.455 -11.769 1.00 3.33 O ATOM 48 CB THR A 4 1.058 -2.743 -14.578 1.00 1.24 C ATOM 49 OG1 THR A 4 0.981 -3.871 -15.437 1.00 63.52 O ATOM 50 CG2 THR A 4 2.258 -1.888 -14.982 1.00 62.03 C ATOM 0 H THR A 4 -0.801 -3.832 -13.554 1.00 51.04 H new ATOM 0 HA THR A 4 2.033 -3.814 -12.979 1.00 14.44 H new ATOM 0 HB THR A 4 0.167 -2.122 -14.671 1.00 1.24 H new ATOM 0 HG1 THR A 4 0.933 -3.570 -16.368 1.00 63.52 H new ATOM 0 HG21 THR A 4 2.153 -1.582 -16.023 1.00 62.03 H new ATOM 0 HG22 THR A 4 2.305 -1.003 -14.347 1.00 62.03 H new ATOM 0 HG23 THR A 4 3.174 -2.468 -14.865 1.00 62.03 H new ATOM 58 N ILE A 5 2.415 -1.639 -11.721 1.00 62.41 N ATOM 59 CA ILE A 5 2.677 -0.417 -10.968 1.00 0.23 C ATOM 60 C ILE A 5 3.620 0.444 -11.807 1.00 55.20 C ATOM 61 O ILE A 5 4.449 -0.087 -12.552 1.00 72.14 O ATOM 62 CB ILE A 5 3.272 -0.782 -9.591 1.00 0.44 C ATOM 63 CG1 ILE A 5 2.340 -1.689 -8.757 1.00 61.34 C ATOM 64 CG2 ILE A 5 3.699 0.442 -8.764 1.00 62.24 C ATOM 65 CD1 ILE A 5 1.122 -1.025 -8.109 1.00 74.42 C ATOM 0 H ILE A 5 3.261 -2.174 -11.915 1.00 62.41 H new ATOM 0 HA ILE A 5 1.765 0.149 -10.776 1.00 0.23 H new ATOM 0 HB ILE A 5 4.174 -1.347 -9.827 1.00 0.44 H new ATOM 0 HG12 ILE A 5 1.985 -2.493 -9.401 1.00 61.34 H new ATOM 0 HG13 ILE A 5 2.934 -2.151 -7.968 1.00 61.34 H new ATOM 0 HG21 ILE A 5 4.108 0.111 -7.809 1.00 62.24 H new ATOM 0 HG22 ILE A 5 4.458 1.003 -9.309 1.00 62.24 H new ATOM 0 HG23 ILE A 5 2.834 1.081 -8.587 1.00 62.24 H new ATOM 0 HD11 ILE A 5 0.553 -1.771 -7.554 1.00 74.42 H new ATOM 0 HD12 ILE A 5 1.454 -0.241 -7.428 1.00 74.42 H new ATOM 0 HD13 ILE A 5 0.490 -0.589 -8.883 1.00 74.42 H new ATOM 77 N THR A 6 3.549 1.766 -11.655 1.00 60.22 N ATOM 78 CA THR A 6 4.575 2.662 -12.154 1.00 44.30 C ATOM 79 C THR A 6 5.055 3.620 -11.073 1.00 11.04 C ATOM 80 O THR A 6 4.302 4.013 -10.185 1.00 63.12 O ATOM 81 CB THR A 6 4.086 3.400 -13.406 1.00 1.15 C ATOM 82 OG1 THR A 6 2.767 3.900 -13.363 1.00 72.51 O ATOM 83 CG2 THR A 6 4.157 2.438 -14.577 1.00 64.30 C ATOM 0 H THR A 6 2.778 2.239 -11.183 1.00 60.22 H new ATOM 0 HA THR A 6 5.439 2.063 -12.443 1.00 44.30 H new ATOM 0 HB THR A 6 4.737 4.270 -13.492 1.00 1.15 H new ATOM 0 HG1 THR A 6 2.561 4.351 -14.208 1.00 72.51 H new ATOM 0 HG21 THR A 6 3.814 2.940 -15.482 1.00 64.30 H new ATOM 0 HG22 THR A 6 5.186 2.107 -14.714 1.00 64.30 H new ATOM 0 HG23 THR A 6 3.522 1.575 -14.378 1.00 64.30 H new ATOM 91 N ASP A 7 6.325 4.007 -11.166 1.00 60.12 N ATOM 92 CA ASP A 7 6.996 4.943 -10.278 1.00 54.51 C ATOM 93 C ASP A 7 6.316 6.302 -10.308 1.00 4.52 C ATOM 94 O ASP A 7 6.268 6.961 -9.271 1.00 34.02 O ATOM 95 CB ASP A 7 8.469 5.068 -10.679 1.00 55.21 C ATOM 96 CG ASP A 7 9.285 3.875 -10.172 1.00 33.31 C ATOM 97 OD1 ASP A 7 8.905 2.712 -10.452 1.00 51.20 O ATOM 98 OD2 ASP A 7 10.306 4.088 -9.484 1.00 3.23 O ATOM 0 H ASP A 7 6.941 3.657 -11.900 1.00 60.12 H new ATOM 0 HA ASP A 7 6.936 4.563 -9.258 1.00 54.51 H new ATOM 0 HB2 ASP A 7 8.549 5.132 -11.764 1.00 55.21 H new ATOM 0 HB3 ASP A 7 8.881 5.992 -10.274 1.00 55.21 H new ATOM 103 N GLU A 8 5.760 6.710 -11.454 1.00 75.11 N ATOM 104 CA GLU A 8 4.989 7.952 -11.535 1.00 54.25 C ATOM 105 C GLU A 8 3.782 7.864 -10.586 1.00 72.04 C ATOM 106 O GLU A 8 3.579 8.721 -9.727 1.00 62.24 O ATOM 107 CB GLU A 8 4.559 8.205 -12.993 1.00 21.31 C ATOM 108 CG GLU A 8 5.667 8.833 -13.871 1.00 65.13 C ATOM 109 CD GLU A 8 5.272 10.053 -14.724 1.00 64.55 C ATOM 110 OE1 GLU A 8 4.234 10.708 -14.489 1.00 11.35 O ATOM 111 OE2 GLU A 8 6.024 10.406 -15.668 1.00 75.14 O ATOM 0 H GLU A 8 5.830 6.199 -12.334 1.00 75.11 H new ATOM 0 HA GLU A 8 5.602 8.798 -11.223 1.00 54.25 H new ATOM 0 HB2 GLU A 8 4.247 7.261 -13.439 1.00 21.31 H new ATOM 0 HB3 GLU A 8 3.689 8.862 -12.997 1.00 21.31 H new ATOM 0 HG2 GLU A 8 6.490 9.127 -13.220 1.00 65.13 H new ATOM 0 HG3 GLU A 8 6.049 8.061 -14.539 1.00 65.13 H new ATOM 118 N LEU A 9 3.023 6.770 -10.682 1.00 3.03 N ATOM 119 CA LEU A 9 1.857 6.487 -9.849 1.00 34.34 C ATOM 120 C LEU A 9 2.209 6.251 -8.378 1.00 62.04 C ATOM 121 O LEU A 9 1.323 6.265 -7.523 1.00 32.23 O ATOM 122 CB LEU A 9 1.144 5.243 -10.406 1.00 2.14 C ATOM 123 CG LEU A 9 -0.267 5.558 -10.917 1.00 30.14 C ATOM 124 CD1 LEU A 9 -0.740 4.411 -11.808 1.00 50.12 C ATOM 125 CD2 LEU A 9 -1.244 5.762 -9.753 1.00 4.40 C ATOM 0 H LEU A 9 3.211 6.035 -11.364 1.00 3.03 H new ATOM 0 HA LEU A 9 1.212 7.365 -9.882 1.00 34.34 H new ATOM 0 HB2 LEU A 9 1.736 4.821 -11.218 1.00 2.14 H new ATOM 0 HB3 LEU A 9 1.084 4.483 -9.627 1.00 2.14 H new ATOM 0 HG LEU A 9 -0.237 6.485 -11.490 1.00 30.14 H new ATOM 0 HD11 LEU A 9 -1.743 4.626 -12.176 1.00 50.12 H new ATOM 0 HD12 LEU A 9 -0.059 4.302 -12.652 1.00 50.12 H new ATOM 0 HD13 LEU A 9 -0.756 3.486 -11.232 1.00 50.12 H new ATOM 0 HD21 LEU A 9 -2.236 5.984 -10.146 1.00 4.40 H new ATOM 0 HD22 LEU A 9 -1.287 4.855 -9.150 1.00 4.40 H new ATOM 0 HD23 LEU A 9 -0.904 6.593 -9.134 1.00 4.40 H new ATOM 137 N LEU A 10 3.478 5.987 -8.070 1.00 63.51 N ATOM 138 CA LEU A 10 3.968 5.845 -6.707 1.00 14.34 C ATOM 139 C LEU A 10 4.296 7.224 -6.141 1.00 53.30 C ATOM 140 O LEU A 10 3.910 7.540 -5.011 1.00 31.10 O ATOM 141 CB LEU A 10 5.180 4.908 -6.674 1.00 74.34 C ATOM 142 CG LEU A 10 4.778 3.438 -6.910 1.00 31.04 C ATOM 143 CD1 LEU A 10 6.005 2.629 -7.329 1.00 74.24 C ATOM 144 CD2 LEU A 10 4.179 2.817 -5.645 1.00 54.21 C ATOM 0 H LEU A 10 4.204 5.864 -8.776 1.00 63.51 H new ATOM 0 HA LEU A 10 3.197 5.396 -6.080 1.00 14.34 H new ATOM 0 HB2 LEU A 10 5.897 5.215 -7.436 1.00 74.34 H new ATOM 0 HB3 LEU A 10 5.681 4.997 -5.710 1.00 74.34 H new ATOM 0 HG LEU A 10 4.026 3.418 -7.699 1.00 31.04 H new ATOM 0 HD11 LEU A 10 5.717 1.591 -7.495 1.00 74.24 H new ATOM 0 HD12 LEU A 10 6.417 3.043 -8.249 1.00 74.24 H new ATOM 0 HD13 LEU A 10 6.758 2.675 -6.542 1.00 74.24 H new ATOM 0 HD21 LEU A 10 3.905 1.781 -5.843 1.00 54.21 H new ATOM 0 HD22 LEU A 10 4.913 2.851 -4.840 1.00 54.21 H new ATOM 0 HD23 LEU A 10 3.291 3.377 -5.350 1.00 54.21 H new ATOM 156 N TRP A 11 4.965 8.070 -6.930 1.00 52.33 N ATOM 157 CA TRP A 11 5.218 9.461 -6.583 1.00 14.33 C ATOM 158 C TRP A 11 3.913 10.219 -6.337 1.00 45.22 C ATOM 159 O TRP A 11 3.861 11.044 -5.425 1.00 13.44 O ATOM 160 CB TRP A 11 6.080 10.138 -7.655 1.00 3.01 C ATOM 161 CG TRP A 11 7.558 9.984 -7.452 1.00 72.24 C ATOM 162 CD1 TRP A 11 8.392 9.169 -8.139 1.00 71.42 C ATOM 163 CD2 TRP A 11 8.387 10.647 -6.454 1.00 21.31 C ATOM 164 NE1 TRP A 11 9.682 9.318 -7.667 1.00 55.24 N ATOM 165 CE2 TRP A 11 9.726 10.183 -6.596 1.00 51.13 C ATOM 166 CE3 TRP A 11 8.129 11.556 -5.406 1.00 22.34 C ATOM 167 CZ2 TRP A 11 10.748 10.583 -5.726 1.00 11.21 C ATOM 168 CZ3 TRP A 11 9.154 11.990 -4.546 1.00 25.25 C ATOM 169 CH2 TRP A 11 10.462 11.499 -4.699 1.00 50.34 C ATOM 0 H TRP A 11 5.348 7.800 -7.836 1.00 52.33 H new ATOM 0 HA TRP A 11 5.778 9.483 -5.648 1.00 14.33 H new ATOM 0 HB2 TRP A 11 5.815 9.727 -8.629 1.00 3.01 H new ATOM 0 HB3 TRP A 11 5.838 11.201 -7.680 1.00 3.01 H new ATOM 0 HD1 TRP A 11 8.094 8.503 -8.935 1.00 71.42 H new ATOM 0 HE1 TRP A 11 10.497 8.848 -8.061 1.00 55.24 H new ATOM 0 HE3 TRP A 11 7.125 11.926 -5.261 1.00 22.34 H new ATOM 0 HZ2 TRP A 11 11.747 10.191 -5.843 1.00 11.21 H new ATOM 0 HZ3 TRP A 11 8.935 12.703 -3.765 1.00 25.25 H new ATOM 0 HH2 TRP A 11 11.245 11.824 -4.030 1.00 50.34 H new ATOM 180 N ALA A 12 2.840 9.896 -7.058 1.00 63.34 N ATOM 181 CA ALA A 12 1.527 10.499 -6.868 1.00 54.31 C ATOM 182 C ALA A 12 1.007 10.402 -5.420 1.00 61.12 C ATOM 183 O ALA A 12 0.323 11.314 -4.946 1.00 10.40 O ATOM 184 CB ALA A 12 0.554 9.833 -7.839 1.00 73.15 C ATOM 0 H ALA A 12 2.862 9.197 -7.801 1.00 63.34 H new ATOM 0 HA ALA A 12 1.613 11.567 -7.071 1.00 54.31 H new ATOM 0 HB1 ALA A 12 -0.438 10.268 -7.716 1.00 73.15 H new ATOM 0 HB2 ALA A 12 0.895 9.991 -8.862 1.00 73.15 H new ATOM 0 HB3 ALA A 12 0.509 8.764 -7.633 1.00 73.15 H new ATOM 190 N ILE A 13 1.323 9.323 -4.691 1.00 15.04 N ATOM 191 CA ILE A 13 0.884 9.145 -3.309 1.00 14.22 C ATOM 192 C ILE A 13 1.830 9.888 -2.348 1.00 54.41 C ATOM 193 O ILE A 13 1.541 10.021 -1.157 1.00 5.05 O ATOM 194 CB ILE A 13 0.744 7.649 -2.978 1.00 1.43 C ATOM 195 CG1 ILE A 13 -0.067 6.870 -4.047 1.00 33.44 C ATOM 196 CG2 ILE A 13 0.000 7.409 -1.658 1.00 23.43 C ATOM 197 CD1 ILE A 13 0.704 5.625 -4.428 1.00 23.53 C ATOM 0 H ILE A 13 1.889 8.553 -5.046 1.00 15.04 H new ATOM 0 HA ILE A 13 -0.104 9.586 -3.181 1.00 14.22 H new ATOM 0 HB ILE A 13 1.774 7.296 -2.929 1.00 1.43 H new ATOM 0 HG12 ILE A 13 -1.048 6.602 -3.656 1.00 33.44 H new ATOM 0 HG13 ILE A 13 -0.234 7.495 -4.925 1.00 33.44 H new ATOM 0 HG21 ILE A 13 -0.072 6.338 -1.471 1.00 23.43 H new ATOM 0 HG22 ILE A 13 0.544 7.884 -0.842 1.00 23.43 H new ATOM 0 HG23 ILE A 13 -1.002 7.834 -1.722 1.00 23.43 H new ATOM 0 HD11 ILE A 13 0.145 5.067 -5.179 1.00 23.53 H new ATOM 0 HD12 ILE A 13 1.675 5.908 -4.834 1.00 23.53 H new ATOM 0 HD13 ILE A 13 0.848 5.002 -3.545 1.00 23.53 H new ATOM 209 N LEU A 14 2.994 10.343 -2.817 1.00 62.02 N ATOM 210 CA LEU A 14 3.964 11.067 -2.007 1.00 53.41 C ATOM 211 C LEU A 14 3.715 12.568 -2.097 1.00 54.32 C ATOM 212 O LEU A 14 3.743 13.230 -1.055 1.00 23.43 O ATOM 213 CB LEU A 14 5.406 10.756 -2.447 1.00 32.32 C ATOM 214 CG LEU A 14 5.821 9.291 -2.230 1.00 43.22 C ATOM 215 CD1 LEU A 14 7.158 9.031 -2.921 1.00 22.43 C ATOM 216 CD2 LEU A 14 5.967 8.971 -0.740 1.00 12.31 C ATOM 0 H LEU A 14 3.289 10.215 -3.785 1.00 62.02 H new ATOM 0 HA LEU A 14 3.841 10.740 -0.975 1.00 53.41 H new ATOM 0 HB2 LEU A 14 5.514 11.001 -3.504 1.00 32.32 H new ATOM 0 HB3 LEU A 14 6.091 11.403 -1.898 1.00 32.32 H new ATOM 0 HG LEU A 14 5.043 8.655 -2.652 1.00 43.22 H new ATOM 0 HD11 LEU A 14 7.451 7.993 -2.767 1.00 22.43 H new ATOM 0 HD12 LEU A 14 7.059 9.225 -3.989 1.00 22.43 H new ATOM 0 HD13 LEU A 14 7.919 9.689 -2.501 1.00 22.43 H new ATOM 0 HD21 LEU A 14 6.261 7.928 -0.619 1.00 12.31 H new ATOM 0 HD22 LEU A 14 6.729 9.616 -0.302 1.00 12.31 H new ATOM 0 HD23 LEU A 14 5.015 9.140 -0.237 1.00 12.31 H new ATOM 228 N LYS A 15 3.519 13.094 -3.315 1.00 35.31 N ATOM 229 CA LYS A 15 3.472 14.520 -3.621 1.00 43.21 C ATOM 230 C LYS A 15 2.216 15.146 -3.021 1.00 21.03 C ATOM 231 O LYS A 15 2.249 15.653 -1.900 1.00 54.02 O ATOM 232 CB LYS A 15 3.525 14.708 -5.157 1.00 63.40 C ATOM 233 CG LYS A 15 4.830 14.257 -5.822 1.00 44.23 C ATOM 234 CD LYS A 15 6.020 15.094 -5.367 1.00 72.52 C ATOM 235 CE LYS A 15 7.214 14.827 -6.283 1.00 52.51 C ATOM 236 NZ LYS A 15 8.402 15.555 -5.812 1.00 54.22 N ATOM 0 H LYS A 15 3.384 12.511 -4.141 1.00 35.31 H new ATOM 0 HA LYS A 15 4.331 15.026 -3.179 1.00 43.21 H new ATOM 0 HB2 LYS A 15 2.698 14.156 -5.604 1.00 63.40 H new ATOM 0 HB3 LYS A 15 3.365 15.762 -5.384 1.00 63.40 H new ATOM 0 HG2 LYS A 15 5.013 13.208 -5.588 1.00 44.23 H new ATOM 0 HG3 LYS A 15 4.729 14.329 -6.905 1.00 44.23 H new ATOM 0 HD2 LYS A 15 5.762 16.153 -5.388 1.00 72.52 H new ATOM 0 HD3 LYS A 15 6.277 14.849 -4.337 1.00 72.52 H new ATOM 0 HE2 LYS A 15 7.424 13.758 -6.313 1.00 52.51 H new ATOM 0 HE3 LYS A 15 6.973 15.133 -7.301 1.00 52.51 H new ATOM 0 HZ1 LYS A 15 9.202 15.361 -6.447 1.00 54.22 H new ATOM 0 HZ2 LYS A 15 8.204 16.576 -5.807 1.00 54.22 H new ATOM 0 HZ3 LYS A 15 8.641 15.244 -4.849 1.00 54.22 H new ATOM 250 N ASP A 16 1.113 15.078 -3.759 1.00 23.30 N ATOM 251 CA ASP A 16 -0.246 15.445 -3.403 1.00 41.22 C ATOM 252 C ASP A 16 -1.013 15.265 -4.710 1.00 61.31 C ATOM 253 O ASP A 16 -1.156 16.207 -5.500 1.00 4.43 O ATOM 254 CB ASP A 16 -0.406 16.887 -2.868 1.00 25.10 C ATOM 255 CG ASP A 16 -0.476 17.043 -1.345 1.00 53.21 C ATOM 256 OD1 ASP A 16 -0.395 16.063 -0.564 1.00 4.23 O ATOM 257 OD2 ASP A 16 -0.544 18.211 -0.887 1.00 20.33 O ATOM 0 H ASP A 16 1.157 14.729 -4.716 1.00 23.30 H new ATOM 0 HA ASP A 16 -0.606 14.831 -2.577 1.00 41.22 H new ATOM 0 HB2 ASP A 16 0.430 17.483 -3.235 1.00 25.10 H new ATOM 0 HB3 ASP A 16 -1.313 17.312 -3.297 1.00 25.10 H new ATOM 262 N GLU A 17 -1.397 14.034 -5.035 1.00 63.42 N ATOM 263 CA GLU A 17 -2.216 13.739 -6.181 1.00 2.13 C ATOM 264 C GLU A 17 -3.263 12.698 -5.763 1.00 11.11 C ATOM 265 O GLU A 17 -4.457 12.937 -5.959 1.00 11.13 O ATOM 266 CB GLU A 17 -1.249 13.337 -7.302 1.00 51.10 C ATOM 267 CG GLU A 17 -1.907 12.486 -8.367 1.00 31.41 C ATOM 268 CD GLU A 17 -3.045 13.183 -9.116 1.00 30.22 C ATOM 269 OE1 GLU A 17 -3.062 14.440 -9.179 1.00 35.23 O ATOM 270 OE2 GLU A 17 -3.906 12.447 -9.651 1.00 24.42 O ATOM 0 H GLU A 17 -1.138 13.209 -4.494 1.00 63.42 H new ATOM 0 HA GLU A 17 -2.803 14.574 -6.565 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -0.840 14.236 -7.763 1.00 51.10 H new ATOM 0 HB3 GLU A 17 -0.410 12.789 -6.873 1.00 51.10 H new ATOM 0 HG2 GLU A 17 -1.150 12.176 -9.087 1.00 31.41 H new ATOM 0 HG3 GLU A 17 -2.295 11.579 -7.903 1.00 31.41 H new ATOM 277 N LEU A 18 -2.847 11.574 -5.156 1.00 51.31 N ATOM 278 CA LEU A 18 -3.824 10.631 -4.612 1.00 22.14 C ATOM 279 C LEU A 18 -4.475 11.215 -3.383 1.00 21.24 C ATOM 280 O LEU A 18 -3.852 11.924 -2.584 1.00 72.21 O ATOM 281 CB LEU A 18 -3.224 9.287 -4.189 1.00 4.05 C ATOM 282 CG LEU A 18 -3.414 8.157 -5.206 1.00 2.41 C ATOM 283 CD1 LEU A 18 -4.865 7.690 -5.321 1.00 41.30 C ATOM 284 CD2 LEU A 18 -2.793 8.495 -6.566 1.00 15.13 C ATOM 0 H LEU A 18 -1.870 11.306 -5.034 1.00 51.31 H new ATOM 0 HA LEU A 18 -4.532 10.457 -5.422 1.00 22.14 H new ATOM 0 HB2 LEU A 18 -2.157 9.421 -4.009 1.00 4.05 H new ATOM 0 HB3 LEU A 18 -3.672 8.986 -3.242 1.00 4.05 H new ATOM 0 HG LEU A 18 -2.863 7.302 -4.814 1.00 2.41 H new ATOM 0 HD11 LEU A 18 -4.932 6.889 -6.057 1.00 41.30 H new ATOM 0 HD12 LEU A 18 -5.207 7.323 -4.353 1.00 41.30 H new ATOM 0 HD13 LEU A 18 -5.492 8.525 -5.635 1.00 41.30 H new ATOM 0 HD21 LEU A 18 -2.952 7.665 -7.255 1.00 15.13 H new ATOM 0 HD22 LEU A 18 -3.261 9.394 -6.966 1.00 15.13 H new ATOM 0 HD23 LEU A 18 -1.723 8.666 -6.445 1.00 15.13 H new ATOM 296 N SER A 19 -5.694 10.752 -3.157 1.00 40.33 N ATOM 297 CA SER A 19 -6.487 11.201 -2.029 1.00 13.21 C ATOM 298 C SER A 19 -6.410 10.174 -0.900 1.00 72.23 C ATOM 299 O SER A 19 -5.705 9.178 -1.025 1.00 62.31 O ATOM 300 CB SER A 19 -7.900 11.571 -2.486 1.00 35.31 C ATOM 301 OG SER A 19 -8.339 12.712 -1.773 1.00 41.21 O ATOM 0 H SER A 19 -6.157 10.060 -3.746 1.00 40.33 H new ATOM 0 HA SER A 19 -6.081 12.121 -1.609 1.00 13.21 H new ATOM 0 HB2 SER A 19 -7.907 11.773 -3.557 1.00 35.31 H new ATOM 0 HB3 SER A 19 -8.580 10.737 -2.314 1.00 35.31 H new ATOM 0 HG SER A 19 -9.243 12.952 -2.065 1.00 41.21 H new ATOM 307 N ASP A 20 -7.079 10.411 0.227 1.00 40.23 N ATOM 308 CA ASP A 20 -6.971 9.562 1.410 1.00 70.14 C ATOM 309 C ASP A 20 -7.620 8.205 1.152 1.00 21.40 C ATOM 310 O ASP A 20 -6.915 7.196 1.131 1.00 30.00 O ATOM 311 CB ASP A 20 -7.467 10.258 2.693 1.00 64.52 C ATOM 312 CG ASP A 20 -8.823 10.950 2.593 1.00 52.04 C ATOM 313 OD1 ASP A 20 -8.916 11.915 1.795 1.00 24.45 O ATOM 314 OD2 ASP A 20 -9.771 10.563 3.312 1.00 52.33 O ATOM 0 H ASP A 20 -7.714 11.201 0.345 1.00 40.23 H new ATOM 0 HA ASP A 20 -5.914 9.377 1.599 1.00 70.14 H new ATOM 0 HB2 ASP A 20 -7.517 9.516 3.490 1.00 64.52 H new ATOM 0 HB3 ASP A 20 -6.724 10.998 2.993 1.00 64.52 H new ATOM 319 N ALA A 21 -8.929 8.160 0.893 1.00 61.34 N ATOM 320 CA ALA A 21 -9.604 6.903 0.575 1.00 53.30 C ATOM 321 C ALA A 21 -9.064 6.279 -0.720 1.00 21.21 C ATOM 322 O ALA A 21 -9.021 5.060 -0.847 1.00 23.10 O ATOM 323 CB ALA A 21 -11.107 7.159 0.460 1.00 52.31 C ATOM 0 H ALA A 21 -9.539 8.977 0.898 1.00 61.34 H new ATOM 0 HA ALA A 21 -9.410 6.192 1.378 1.00 53.30 H new ATOM 0 HB1 ALA A 21 -11.618 6.226 0.223 1.00 52.31 H new ATOM 0 HB2 ALA A 21 -11.483 7.548 1.406 1.00 52.31 H new ATOM 0 HB3 ALA A 21 -11.293 7.886 -0.331 1.00 52.31 H new ATOM 329 N GLU A 22 -8.632 7.109 -1.669 1.00 41.12 N ATOM 330 CA GLU A 22 -8.109 6.663 -2.957 1.00 13.40 C ATOM 331 C GLU A 22 -6.741 5.986 -2.783 1.00 32.22 C ATOM 332 O GLU A 22 -6.470 4.951 -3.385 1.00 43.13 O ATOM 333 CB GLU A 22 -8.001 7.860 -3.907 1.00 3.43 C ATOM 334 CG GLU A 22 -9.327 8.587 -4.170 1.00 0.04 C ATOM 335 CD GLU A 22 -10.385 7.784 -4.942 1.00 33.14 C ATOM 336 OE1 GLU A 22 -10.066 6.746 -5.572 1.00 2.25 O ATOM 337 OE2 GLU A 22 -11.572 8.179 -4.877 1.00 53.34 O ATOM 0 H GLU A 22 -8.636 8.123 -1.562 1.00 41.12 H new ATOM 0 HA GLU A 22 -8.793 5.929 -3.383 1.00 13.40 H new ATOM 0 HB2 GLU A 22 -7.287 8.572 -3.494 1.00 3.43 H new ATOM 0 HB3 GLU A 22 -7.595 7.517 -4.858 1.00 3.43 H new ATOM 0 HG2 GLU A 22 -9.752 8.886 -3.212 1.00 0.04 H new ATOM 0 HG3 GLU A 22 -9.115 9.501 -4.724 1.00 0.04 H new ATOM 344 N ALA A 23 -5.854 6.553 -1.956 1.00 51.34 N ATOM 345 CA ALA A 23 -4.546 5.961 -1.684 1.00 13.25 C ATOM 346 C ALA A 23 -4.723 4.604 -1.012 1.00 72.13 C ATOM 347 O ALA A 23 -3.965 3.680 -1.303 1.00 51.13 O ATOM 348 CB ALA A 23 -3.697 6.867 -0.783 1.00 40.54 C ATOM 0 H ALA A 23 -6.024 7.429 -1.462 1.00 51.34 H new ATOM 0 HA ALA A 23 -4.028 5.842 -2.636 1.00 13.25 H new ATOM 0 HB1 ALA A 23 -2.731 6.396 -0.601 1.00 40.54 H new ATOM 0 HB2 ALA A 23 -3.546 7.829 -1.273 1.00 40.54 H new ATOM 0 HB3 ALA A 23 -4.211 7.021 0.166 1.00 40.54 H new ATOM 354 N ASN A 24 -5.714 4.493 -0.123 1.00 61.31 N ATOM 355 CA ASN A 24 -6.143 3.218 0.453 1.00 44.53 C ATOM 356 C ASN A 24 -6.520 2.279 -0.695 1.00 45.51 C ATOM 357 O ASN A 24 -5.967 1.184 -0.800 1.00 2.42 O ATOM 358 CB ASN A 24 -7.329 3.406 1.421 1.00 25.43 C ATOM 359 CG ASN A 24 -7.004 3.411 2.914 1.00 2.22 C ATOM 360 OD1 ASN A 24 -5.909 3.093 3.374 1.00 52.51 O ATOM 361 ND2 ASN A 24 -7.984 3.798 3.714 1.00 24.45 N ATOM 0 H ASN A 24 -6.245 5.294 0.219 1.00 61.31 H new ATOM 0 HA ASN A 24 -5.328 2.789 1.036 1.00 44.53 H new ATOM 0 HB2 ASN A 24 -7.821 4.348 1.177 1.00 25.43 H new ATOM 0 HB3 ASN A 24 -8.051 2.611 1.233 1.00 25.43 H new ATOM 0 HD21 ASN A 24 -7.835 3.835 4.722 1.00 24.45 H new ATOM 0 HD22 ASN A 24 -8.889 4.060 3.322 1.00 24.45 H new ATOM 368 N ALA A 25 -7.418 2.728 -1.577 1.00 33.43 N ATOM 369 CA ALA A 25 -7.928 1.949 -2.692 1.00 51.15 C ATOM 370 C ALA A 25 -6.811 1.338 -3.536 1.00 41.55 C ATOM 371 O ALA A 25 -6.843 0.127 -3.735 1.00 65.52 O ATOM 372 CB ALA A 25 -8.896 2.772 -3.542 1.00 22.43 C ATOM 0 H ALA A 25 -7.815 3.666 -1.528 1.00 33.43 H new ATOM 0 HA ALA A 25 -8.485 1.113 -2.269 1.00 51.15 H new ATOM 0 HB1 ALA A 25 -9.262 2.163 -4.369 1.00 22.43 H new ATOM 0 HB2 ALA A 25 -9.737 3.093 -2.928 1.00 22.43 H new ATOM 0 HB3 ALA A 25 -8.380 3.648 -3.936 1.00 22.43 H new ATOM 378 N LEU A 26 -5.798 2.102 -3.980 1.00 45.33 N ATOM 379 CA LEU A 26 -4.712 1.565 -4.804 1.00 61.22 C ATOM 380 C LEU A 26 -3.956 0.399 -4.152 1.00 32.24 C ATOM 381 O LEU A 26 -3.303 -0.380 -4.848 1.00 62.41 O ATOM 382 CB LEU A 26 -3.700 2.670 -5.127 1.00 12.22 C ATOM 383 CG LEU A 26 -4.200 3.855 -5.968 1.00 32.13 C ATOM 384 CD1 LEU A 26 -2.973 4.633 -6.459 1.00 31.34 C ATOM 385 CD2 LEU A 26 -5.045 3.453 -7.179 1.00 34.54 C ATOM 0 H LEU A 26 -5.713 3.098 -3.778 1.00 45.33 H new ATOM 0 HA LEU A 26 -5.190 1.184 -5.706 1.00 61.22 H new ATOM 0 HB2 LEU A 26 -3.316 3.062 -4.185 1.00 12.22 H new ATOM 0 HB3 LEU A 26 -2.859 2.215 -5.650 1.00 12.22 H new ATOM 0 HG LEU A 26 -4.850 4.452 -5.328 1.00 32.13 H new ATOM 0 HD11 LEU A 26 -3.297 5.482 -7.060 1.00 31.34 H new ATOM 0 HD12 LEU A 26 -2.403 4.992 -5.602 1.00 31.34 H new ATOM 0 HD13 LEU A 26 -2.345 3.979 -7.064 1.00 31.34 H new ATOM 0 HD21 LEU A 26 -5.357 4.348 -7.718 1.00 34.54 H new ATOM 0 HD22 LEU A 26 -4.455 2.819 -7.840 1.00 34.54 H new ATOM 0 HD23 LEU A 26 -5.926 2.906 -6.843 1.00 34.54 H new ATOM 397 N VAL A 27 -4.001 0.260 -2.831 1.00 1.21 N ATOM 398 CA VAL A 27 -3.416 -0.869 -2.118 1.00 24.32 C ATOM 399 C VAL A 27 -4.425 -2.020 -2.142 1.00 43.11 C ATOM 400 O VAL A 27 -4.070 -3.169 -2.423 1.00 5.22 O ATOM 401 CB VAL A 27 -3.079 -0.430 -0.681 1.00 62.40 C ATOM 402 CG1 VAL A 27 -2.341 -1.527 0.095 1.00 31.12 C ATOM 403 CG2 VAL A 27 -2.206 0.831 -0.651 1.00 32.51 C ATOM 0 H VAL A 27 -4.452 0.939 -2.217 1.00 1.21 H new ATOM 0 HA VAL A 27 -2.492 -1.207 -2.588 1.00 24.32 H new ATOM 0 HB VAL A 27 -4.040 -0.224 -0.210 1.00 62.40 H new ATOM 0 HG11 VAL A 27 -2.123 -1.175 1.103 1.00 31.12 H new ATOM 0 HG12 VAL A 27 -2.966 -2.418 0.149 1.00 31.12 H new ATOM 0 HG13 VAL A 27 -1.408 -1.769 -0.415 1.00 31.12 H new ATOM 0 HG21 VAL A 27 -1.994 1.102 0.383 1.00 32.51 H new ATOM 0 HG22 VAL A 27 -1.270 0.638 -1.174 1.00 32.51 H new ATOM 0 HG23 VAL A 27 -2.733 1.650 -1.140 1.00 32.51 H new ATOM 413 N TRP A 28 -5.689 -1.705 -1.862 1.00 51.01 N ATOM 414 CA TRP A 28 -6.797 -2.638 -1.803 1.00 2.11 C ATOM 415 C TRP A 28 -6.989 -3.364 -3.133 1.00 4.15 C ATOM 416 O TRP A 28 -7.171 -4.581 -3.095 1.00 4.22 O ATOM 417 CB TRP A 28 -8.055 -1.892 -1.342 1.00 62.22 C ATOM 418 CG TRP A 28 -7.952 -1.196 -0.008 1.00 73.44 C ATOM 419 CD1 TRP A 28 -7.003 -1.413 0.936 1.00 23.42 C ATOM 420 CD2 TRP A 28 -8.856 -0.204 0.574 1.00 64.34 C ATOM 421 NE1 TRP A 28 -7.269 -0.656 2.056 1.00 45.43 N ATOM 422 CE2 TRP A 28 -8.441 0.044 1.915 1.00 62.34 C ATOM 423 CE3 TRP A 28 -10.016 0.470 0.139 1.00 54.05 C ATOM 424 CZ2 TRP A 28 -9.204 0.794 2.814 1.00 11.01 C ATOM 425 CZ3 TRP A 28 -10.750 1.298 1.013 1.00 43.42 C ATOM 426 CH2 TRP A 28 -10.365 1.435 2.358 1.00 52.53 C ATOM 0 H TRP A 28 -5.974 -0.746 -1.662 1.00 51.01 H new ATOM 0 HA TRP A 28 -6.580 -3.419 -1.074 1.00 2.11 H new ATOM 0 HB2 TRP A 28 -8.313 -1.151 -2.099 1.00 62.22 H new ATOM 0 HB3 TRP A 28 -8.880 -2.603 -1.297 1.00 62.22 H new ATOM 0 HD1 TRP A 28 -6.162 -2.081 0.826 1.00 23.42 H new ATOM 0 HE1 TRP A 28 -6.672 -0.620 2.883 1.00 45.43 H new ATOM 0 HE3 TRP A 28 -10.348 0.350 -0.882 1.00 54.05 H new ATOM 0 HZ2 TRP A 28 -8.903 0.879 3.848 1.00 11.01 H new ATOM 0 HZ3 TRP A 28 -11.615 1.831 0.646 1.00 43.42 H new ATOM 0 HH2 TRP A 28 -10.959 2.030 3.036 1.00 52.53 H new ATOM 437 N GLN A 29 -6.862 -2.687 -4.282 1.00 11.33 N ATOM 438 CA GLN A 29 -6.875 -3.334 -5.597 1.00 1.43 C ATOM 439 C GLN A 29 -5.772 -4.383 -5.727 1.00 40.03 C ATOM 440 O GLN A 29 -6.039 -5.515 -6.126 1.00 34.13 O ATOM 441 CB GLN A 29 -6.858 -2.306 -6.749 1.00 51.14 C ATOM 442 CG GLN A 29 -5.804 -1.208 -6.665 1.00 2.21 C ATOM 443 CD GLN A 29 -5.586 -0.386 -7.940 1.00 4.33 C ATOM 444 OE1 GLN A 29 -4.448 -0.078 -8.290 1.00 15.13 O ATOM 445 NE2 GLN A 29 -6.628 0.019 -8.642 1.00 44.22 N ATOM 0 H GLN A 29 -6.747 -1.674 -4.324 1.00 11.33 H new ATOM 0 HA GLN A 29 -7.820 -3.870 -5.681 1.00 1.43 H new ATOM 0 HB2 GLN A 29 -6.715 -2.845 -7.685 1.00 51.14 H new ATOM 0 HB3 GLN A 29 -7.839 -1.834 -6.800 1.00 51.14 H new ATOM 0 HG2 GLN A 29 -6.081 -0.527 -5.860 1.00 2.21 H new ATOM 0 HG3 GLN A 29 -4.855 -1.664 -6.384 1.00 2.21 H new ATOM 0 HE21 GLN A 29 -7.571 -0.238 -8.350 1.00 44.22 H new ATOM 0 HE22 GLN A 29 -6.490 0.589 -9.477 1.00 44.22 H new ATOM 454 N ALA A 30 -4.531 -4.026 -5.390 1.00 42.24 N ATOM 455 CA ALA A 30 -3.396 -4.909 -5.606 1.00 70.11 C ATOM 456 C ALA A 30 -3.477 -6.165 -4.730 1.00 73.10 C ATOM 457 O ALA A 30 -3.055 -7.245 -5.164 1.00 43.40 O ATOM 458 CB ALA A 30 -2.096 -4.144 -5.345 1.00 63.45 C ATOM 0 H ALA A 30 -4.292 -3.129 -4.966 1.00 42.24 H new ATOM 0 HA ALA A 30 -3.415 -5.244 -6.643 1.00 70.11 H new ATOM 0 HB1 ALA A 30 -1.245 -4.806 -5.507 1.00 63.45 H new ATOM 0 HB2 ALA A 30 -2.030 -3.295 -6.026 1.00 63.45 H new ATOM 0 HB3 ALA A 30 -2.085 -3.785 -4.316 1.00 63.45 H new ATOM 464 N LEU A 31 -4.002 -6.032 -3.507 1.00 71.21 N ATOM 465 CA LEU A 31 -4.354 -7.153 -2.644 1.00 5.31 C ATOM 466 C LEU A 31 -5.503 -7.927 -3.278 1.00 54.53 C ATOM 467 O LEU A 31 -5.319 -9.078 -3.664 1.00 34.41 O ATOM 468 CB LEU A 31 -4.723 -6.668 -1.233 1.00 14.22 C ATOM 469 CG LEU A 31 -3.511 -6.514 -0.297 1.00 11.35 C ATOM 470 CD1 LEU A 31 -3.912 -5.674 0.920 1.00 33.12 C ATOM 471 CD2 LEU A 31 -2.983 -7.878 0.168 1.00 31.21 C ATOM 0 H LEU A 31 -4.196 -5.123 -3.086 1.00 71.21 H new ATOM 0 HA LEU A 31 -3.492 -7.813 -2.541 1.00 5.31 H new ATOM 0 HB2 LEU A 31 -5.236 -5.709 -1.310 1.00 14.22 H new ATOM 0 HB3 LEU A 31 -5.427 -7.371 -0.789 1.00 14.22 H new ATOM 0 HG LEU A 31 -2.714 -6.016 -0.850 1.00 11.35 H new ATOM 0 HD11 LEU A 31 -3.055 -5.564 1.584 1.00 33.12 H new ATOM 0 HD12 LEU A 31 -4.244 -4.690 0.589 1.00 33.12 H new ATOM 0 HD13 LEU A 31 -4.723 -6.170 1.453 1.00 33.12 H new ATOM 0 HD21 LEU A 31 -2.127 -7.731 0.827 1.00 31.21 H new ATOM 0 HD22 LEU A 31 -3.769 -8.408 0.706 1.00 31.21 H new ATOM 0 HD23 LEU A 31 -2.677 -8.464 -0.698 1.00 31.21 H new ATOM 483 N GLY A 32 -6.669 -7.296 -3.413 1.00 5.44 N ATOM 484 CA GLY A 32 -7.896 -7.881 -3.934 1.00 3.51 C ATOM 485 C GLY A 32 -9.158 -7.502 -3.147 1.00 23.32 C ATOM 486 O GLY A 32 -10.223 -8.020 -3.483 1.00 35.20 O ATOM 0 H GLY A 32 -6.785 -6.318 -3.149 1.00 5.44 H new ATOM 0 HA2 GLY A 32 -8.021 -7.570 -4.971 1.00 3.51 H new ATOM 0 HA3 GLY A 32 -7.795 -8.966 -3.936 1.00 3.51 H new ATOM 490 N TYR A 33 -9.070 -6.624 -2.133 1.00 63.33 N ATOM 491 CA TYR A 33 -10.202 -6.169 -1.309 1.00 63.53 C ATOM 492 C TYR A 33 -11.028 -5.097 -2.043 1.00 30.00 C ATOM 493 O TYR A 33 -11.171 -3.960 -1.585 1.00 3.42 O ATOM 494 CB TYR A 33 -9.714 -5.629 0.043 1.00 11.05 C ATOM 495 CG TYR A 33 -9.076 -6.628 0.982 1.00 40.43 C ATOM 496 CD1 TYR A 33 -9.879 -7.338 1.894 1.00 42.11 C ATOM 497 CD2 TYR A 33 -7.680 -6.791 0.996 1.00 71.13 C ATOM 498 CE1 TYR A 33 -9.297 -8.204 2.832 1.00 62.53 C ATOM 499 CE2 TYR A 33 -7.086 -7.676 1.910 1.00 63.14 C ATOM 500 CZ TYR A 33 -7.895 -8.369 2.838 1.00 4.32 C ATOM 501 OH TYR A 33 -7.295 -9.201 3.723 1.00 70.31 O ATOM 0 H TYR A 33 -8.184 -6.200 -1.857 1.00 63.33 H new ATOM 0 HA TYR A 33 -10.844 -7.031 -1.127 1.00 63.53 H new ATOM 0 HB2 TYR A 33 -8.994 -4.833 -0.148 1.00 11.05 H new ATOM 0 HB3 TYR A 33 -10.563 -5.175 0.555 1.00 11.05 H new ATOM 0 HD1 TYR A 33 -10.952 -7.215 1.872 1.00 42.11 H new ATOM 0 HD2 TYR A 33 -7.064 -6.236 0.304 1.00 71.13 H new ATOM 0 HE1 TYR A 33 -9.914 -8.737 3.540 1.00 62.53 H new ATOM 0 HE2 TYR A 33 -6.017 -7.826 1.904 1.00 63.14 H new ATOM 0 HH TYR A 33 -7.212 -8.752 4.590 1.00 70.31 H new ATOM 511 N VAL A 34 -11.527 -5.432 -3.228 1.00 42.33 N ATOM 512 CA VAL A 34 -12.184 -4.473 -4.112 1.00 40.34 C ATOM 513 C VAL A 34 -13.680 -4.534 -3.821 1.00 71.21 C ATOM 514 O VAL A 34 -14.258 -5.616 -3.902 1.00 41.35 O ATOM 515 CB VAL A 34 -11.827 -4.779 -5.579 1.00 61.50 C ATOM 516 CG1 VAL A 34 -12.373 -3.711 -6.533 1.00 34.41 C ATOM 517 CG2 VAL A 34 -10.312 -4.875 -5.748 1.00 41.53 C ATOM 0 H VAL A 34 -11.488 -6.379 -3.605 1.00 42.33 H new ATOM 0 HA VAL A 34 -11.843 -3.453 -3.934 1.00 40.34 H new ATOM 0 HB VAL A 34 -12.290 -5.733 -5.830 1.00 61.50 H new ATOM 0 HG11 VAL A 34 -12.100 -3.964 -7.557 1.00 34.41 H new ATOM 0 HG12 VAL A 34 -13.459 -3.668 -6.447 1.00 34.41 H new ATOM 0 HG13 VAL A 34 -11.950 -2.741 -6.274 1.00 34.41 H new ATOM 0 HG21 VAL A 34 -10.075 -5.092 -6.790 1.00 41.53 H new ATOM 0 HG22 VAL A 34 -9.853 -3.929 -5.461 1.00 41.53 H new ATOM 0 HG23 VAL A 34 -9.925 -5.673 -5.114 1.00 41.53 H new ATOM 527 N TRP A 35 -14.310 -3.419 -3.454 1.00 30.43 N ATOM 528 CA TRP A 35 -15.747 -3.373 -3.195 1.00 65.03 C ATOM 529 C TRP A 35 -16.530 -3.857 -4.425 1.00 14.43 C ATOM 530 O TRP A 35 -16.420 -3.268 -5.504 1.00 43.12 O ATOM 531 CB TRP A 35 -16.151 -1.957 -2.779 1.00 2.45 C ATOM 532 CG TRP A 35 -17.621 -1.781 -2.620 1.00 13.01 C ATOM 533 CD1 TRP A 35 -18.449 -1.261 -3.550 1.00 64.13 C ATOM 534 CD2 TRP A 35 -18.459 -2.149 -1.486 1.00 72.15 C ATOM 535 NE1 TRP A 35 -19.737 -1.257 -3.069 1.00 1.55 N ATOM 536 CE2 TRP A 35 -19.804 -1.787 -1.798 1.00 54.31 C ATOM 537 CE3 TRP A 35 -18.211 -2.716 -0.215 1.00 0.51 C ATOM 538 CZ2 TRP A 35 -20.857 -1.984 -0.896 1.00 52.53 C ATOM 539 CZ3 TRP A 35 -19.261 -2.911 0.696 1.00 41.42 C ATOM 540 CH2 TRP A 35 -20.574 -2.542 0.359 1.00 35.33 C ATOM 0 H TRP A 35 -13.839 -2.523 -3.328 1.00 30.43 H new ATOM 0 HA TRP A 35 -15.991 -4.047 -2.374 1.00 65.03 H new ATOM 0 HB2 TRP A 35 -15.660 -1.709 -1.838 1.00 2.45 H new ATOM 0 HB3 TRP A 35 -15.787 -1.250 -3.525 1.00 2.45 H new ATOM 0 HD1 TRP A 35 -18.146 -0.903 -4.523 1.00 64.13 H new ATOM 0 HE1 TRP A 35 -20.542 -0.906 -3.588 1.00 1.55 H new ATOM 0 HE3 TRP A 35 -17.206 -3.001 0.057 1.00 0.51 H new ATOM 0 HZ2 TRP A 35 -21.868 -1.711 -1.162 1.00 52.53 H new ATOM 0 HZ3 TRP A 35 -19.058 -3.348 1.663 1.00 41.42 H new ATOM 0 HH2 TRP A 35 -21.372 -2.689 1.072 1.00 35.33 H new ATOM 551 N ASP A 36 -17.289 -4.949 -4.297 1.00 2.23 N ATOM 552 CA ASP A 36 -18.217 -5.422 -5.321 1.00 64.30 C ATOM 553 C ASP A 36 -19.599 -4.875 -4.990 1.00 42.42 C ATOM 554 O ASP A 36 -20.329 -5.424 -4.167 1.00 53.42 O ATOM 555 CB ASP A 36 -18.235 -6.965 -5.459 1.00 0.31 C ATOM 556 CG ASP A 36 -17.772 -7.487 -6.832 1.00 43.54 C ATOM 557 OD1 ASP A 36 -17.621 -6.685 -7.786 1.00 63.04 O ATOM 558 OD2 ASP A 36 -17.517 -8.700 -6.995 1.00 61.54 O ATOM 0 H ASP A 36 -17.274 -5.537 -3.464 1.00 2.23 H new ATOM 0 HA ASP A 36 -17.885 -5.056 -6.292 1.00 64.30 H new ATOM 0 HB2 ASP A 36 -17.596 -7.394 -4.687 1.00 0.31 H new ATOM 0 HB3 ASP A 36 -19.247 -7.323 -5.271 1.00 0.31 H new ATOM 563 N GLU A 37 -19.964 -3.782 -5.653 1.00 14.21 N ATOM 564 CA GLU A 37 -21.251 -3.112 -5.514 1.00 71.00 C ATOM 565 C GLU A 37 -22.429 -4.063 -5.776 1.00 40.44 C ATOM 566 O GLU A 37 -23.433 -4.001 -5.072 1.00 21.11 O ATOM 567 CB GLU A 37 -21.209 -1.890 -6.442 1.00 41.42 C ATOM 568 CG GLU A 37 -22.538 -1.141 -6.610 1.00 10.34 C ATOM 569 CD GLU A 37 -22.302 0.292 -7.098 1.00 71.23 C ATOM 570 OE1 GLU A 37 -21.569 1.041 -6.407 1.00 22.55 O ATOM 571 OE2 GLU A 37 -22.838 0.678 -8.160 1.00 71.20 O ATOM 0 H GLU A 37 -19.349 -3.323 -6.325 1.00 14.21 H new ATOM 0 HA GLU A 37 -21.420 -2.780 -4.490 1.00 71.00 H new ATOM 0 HB2 GLU A 37 -20.464 -1.192 -6.060 1.00 41.42 H new ATOM 0 HB3 GLU A 37 -20.868 -2.214 -7.425 1.00 41.42 H new ATOM 0 HG2 GLU A 37 -23.171 -1.672 -7.321 1.00 10.34 H new ATOM 0 HG3 GLU A 37 -23.072 -1.122 -5.660 1.00 10.34 H new ATOM 578 N ALA A 38 -22.270 -5.006 -6.710 1.00 13.25 N ATOM 579 CA ALA A 38 -23.295 -5.992 -7.061 1.00 51.41 C ATOM 580 C ALA A 38 -23.493 -7.035 -5.967 1.00 3.04 C ATOM 581 O ALA A 38 -24.492 -7.749 -5.988 1.00 54.43 O ATOM 582 CB ALA A 38 -22.922 -6.752 -8.338 1.00 4.22 C ATOM 0 H ALA A 38 -21.412 -5.107 -7.252 1.00 13.25 H new ATOM 0 HA ALA A 38 -24.212 -5.420 -7.201 1.00 51.41 H new ATOM 0 HB1 ALA A 38 -23.703 -7.476 -8.572 1.00 4.22 H new ATOM 0 HB2 ALA A 38 -22.821 -6.048 -9.164 1.00 4.22 H new ATOM 0 HB3 ALA A 38 -21.977 -7.273 -8.188 1.00 4.22 H new ATOM 588 N GLN A 39 -22.535 -7.168 -5.047 1.00 2.02 N ATOM 589 CA GLN A 39 -22.624 -8.055 -3.894 1.00 64.14 C ATOM 590 C GLN A 39 -22.801 -7.249 -2.612 1.00 44.45 C ATOM 591 O GLN A 39 -22.898 -7.854 -1.544 1.00 62.51 O ATOM 592 CB GLN A 39 -21.393 -8.975 -3.833 1.00 12.35 C ATOM 593 CG GLN A 39 -21.419 -9.970 -4.992 1.00 41.54 C ATOM 594 CD GLN A 39 -20.126 -10.761 -5.150 1.00 53.00 C ATOM 595 OE1 GLN A 39 -19.532 -11.260 -4.194 1.00 30.25 O ATOM 596 NE2 GLN A 39 -19.671 -10.925 -6.376 1.00 11.45 N ATOM 0 H GLN A 39 -21.658 -6.649 -5.087 1.00 2.02 H new ATOM 0 HA GLN A 39 -23.503 -8.691 -3.999 1.00 64.14 H new ATOM 0 HB2 GLN A 39 -20.482 -8.378 -3.877 1.00 12.35 H new ATOM 0 HB3 GLN A 39 -21.378 -9.511 -2.884 1.00 12.35 H new ATOM 0 HG2 GLN A 39 -22.244 -10.666 -4.843 1.00 41.54 H new ATOM 0 HG3 GLN A 39 -21.620 -9.431 -5.918 1.00 41.54 H new ATOM 0 HE21 GLN A 39 -20.167 -10.509 -7.164 1.00 11.45 H new ATOM 0 HE22 GLN A 39 -18.822 -11.468 -6.537 1.00 11.45 H new ATOM 605 N SER A 40 -22.806 -5.912 -2.727 1.00 32.14 N ATOM 606 CA SER A 40 -22.836 -4.945 -1.652 1.00 22.43 C ATOM 607 C SER A 40 -21.853 -5.315 -0.535 1.00 32.32 C ATOM 608 O SER A 40 -22.148 -5.105 0.644 1.00 34.31 O ATOM 609 CB SER A 40 -24.287 -4.668 -1.241 1.00 32.44 C ATOM 610 OG SER A 40 -25.100 -5.831 -1.153 1.00 50.32 O ATOM 0 H SER A 40 -22.788 -5.461 -3.642 1.00 32.14 H new ATOM 0 HA SER A 40 -22.459 -3.979 -1.988 1.00 22.43 H new ATOM 0 HB2 SER A 40 -24.289 -4.163 -0.275 1.00 32.44 H new ATOM 0 HB3 SER A 40 -24.732 -3.981 -1.961 1.00 32.44 H new ATOM 0 HG SER A 40 -26.008 -5.576 -0.885 1.00 50.32 H new ATOM 616 N CYS A 41 -20.694 -5.883 -0.900 1.00 51.31 N ATOM 617 CA CYS A 41 -19.654 -6.282 0.039 1.00 4.11 C ATOM 618 C CYS A 41 -18.292 -6.303 -0.654 1.00 73.50 C ATOM 619 O CYS A 41 -18.177 -6.232 -1.880 1.00 15.05 O ATOM 620 CB CYS A 41 -19.969 -7.667 0.629 1.00 2.00 C ATOM 621 SG CYS A 41 -21.042 -7.526 2.086 1.00 13.51 S ATOM 0 H CYS A 41 -20.457 -6.078 -1.873 1.00 51.31 H new ATOM 0 HA CYS A 41 -19.623 -5.555 0.850 1.00 4.11 H new ATOM 0 HB2 CYS A 41 -20.454 -8.286 -0.126 1.00 2.00 H new ATOM 0 HB3 CYS A 41 -19.041 -8.169 0.904 1.00 2.00 H new ATOM 0 HG CYS A 41 -21.838 -6.508 1.942 1.00 13.51 H new ATOM 627 N TRP A 42 -17.244 -6.443 0.151 1.00 70.53 N ATOM 628 CA TRP A 42 -15.865 -6.526 -0.300 1.00 62.41 C ATOM 629 C TRP A 42 -15.654 -7.815 -1.078 1.00 65.44 C ATOM 630 O TRP A 42 -16.147 -8.870 -0.663 1.00 64.31 O ATOM 631 CB TRP A 42 -14.964 -6.476 0.934 1.00 51.33 C ATOM 632 CG TRP A 42 -15.185 -5.239 1.745 1.00 3.44 C ATOM 633 CD1 TRP A 42 -15.783 -5.146 2.955 1.00 0.41 C ATOM 634 CD2 TRP A 42 -14.883 -3.875 1.350 1.00 62.22 C ATOM 635 NE1 TRP A 42 -15.899 -3.818 3.308 1.00 51.54 N ATOM 636 CE2 TRP A 42 -15.372 -2.987 2.350 1.00 23.22 C ATOM 637 CE3 TRP A 42 -14.246 -3.308 0.232 1.00 31.41 C ATOM 638 CZ2 TRP A 42 -15.252 -1.597 2.245 1.00 52.24 C ATOM 639 CZ3 TRP A 42 -14.110 -1.917 0.129 1.00 42.15 C ATOM 640 CH2 TRP A 42 -14.622 -1.062 1.112 1.00 41.14 C ATOM 0 H TRP A 42 -17.337 -6.503 1.165 1.00 70.53 H new ATOM 0 HA TRP A 42 -15.623 -5.696 -0.964 1.00 62.41 H new ATOM 0 HB2 TRP A 42 -15.151 -7.353 1.554 1.00 51.33 H new ATOM 0 HB3 TRP A 42 -13.921 -6.522 0.622 1.00 51.33 H new ATOM 0 HD1 TRP A 42 -16.117 -5.982 3.552 1.00 0.41 H new ATOM 0 HE1 TRP A 42 -16.325 -3.492 4.176 1.00 51.54 H new ATOM 0 HE3 TRP A 42 -13.861 -3.946 -0.549 1.00 31.41 H new ATOM 0 HZ2 TRP A 42 -15.636 -0.950 3.020 1.00 52.24 H new ATOM 0 HZ3 TRP A 42 -13.600 -1.497 -0.725 1.00 42.15 H new ATOM 0 HH2 TRP A 42 -14.532 0.008 0.998 1.00 41.14 H new ATOM 651 N LYS A 43 -14.921 -7.767 -2.195 1.00 33.51 N ATOM 652 CA LYS A 43 -14.387 -8.996 -2.748 1.00 10.42 C ATOM 653 C LYS A 43 -13.270 -9.465 -1.858 1.00 30.43 C ATOM 654 O LYS A 43 -12.561 -8.665 -1.252 1.00 15.25 O ATOM 655 CB LYS A 43 -13.828 -8.789 -4.147 1.00 51.22 C ATOM 656 CG LYS A 43 -14.975 -8.788 -5.131 1.00 73.04 C ATOM 657 CD LYS A 43 -14.465 -8.447 -6.525 1.00 71.43 C ATOM 658 CE LYS A 43 -14.656 -6.935 -6.713 1.00 62.21 C ATOM 659 NZ LYS A 43 -14.702 -6.507 -8.121 1.00 23.33 N ATOM 0 H LYS A 43 -14.694 -6.918 -2.712 1.00 33.51 H new ATOM 0 HA LYS A 43 -15.194 -9.726 -2.806 1.00 10.42 H new ATOM 0 HB2 LYS A 43 -13.283 -7.847 -4.201 1.00 51.22 H new ATOM 0 HB3 LYS A 43 -13.120 -9.581 -4.392 1.00 51.22 H new ATOM 0 HG2 LYS A 43 -15.458 -9.765 -5.140 1.00 73.04 H new ATOM 0 HG3 LYS A 43 -15.729 -8.063 -4.823 1.00 73.04 H new ATOM 0 HD2 LYS A 43 -13.415 -8.719 -6.629 1.00 71.43 H new ATOM 0 HD3 LYS A 43 -15.015 -9.003 -7.284 1.00 71.43 H new ATOM 0 HE2 LYS A 43 -15.581 -6.632 -6.222 1.00 62.21 H new ATOM 0 HE3 LYS A 43 -13.842 -6.411 -6.211 1.00 62.21 H new ATOM 0 HZ1 LYS A 43 -14.238 -5.581 -8.218 1.00 23.33 H new ATOM 0 HZ2 LYS A 43 -14.208 -7.205 -8.712 1.00 23.33 H new ATOM 0 HZ3 LYS A 43 -15.693 -6.432 -8.429 1.00 23.33 H new ATOM 673 N THR A 44 -13.058 -10.766 -1.908 1.00 23.11 N ATOM 674 CA THR A 44 -11.922 -11.415 -1.290 1.00 62.00 C ATOM 675 C THR A 44 -11.408 -12.561 -2.174 1.00 2.21 C ATOM 676 O THR A 44 -10.388 -13.154 -1.859 1.00 73.34 O ATOM 677 CB THR A 44 -12.234 -11.798 0.181 1.00 54.14 C ATOM 678 OG1 THR A 44 -13.614 -12.075 0.372 1.00 43.42 O ATOM 679 CG2 THR A 44 -11.920 -10.639 1.133 1.00 51.31 C ATOM 0 H THR A 44 -13.684 -11.412 -2.389 1.00 23.11 H new ATOM 0 HA THR A 44 -11.087 -10.718 -1.220 1.00 62.00 H new ATOM 0 HB THR A 44 -11.621 -12.675 0.390 1.00 54.14 H new ATOM 0 HG1 THR A 44 -13.773 -12.314 1.309 1.00 43.42 H new ATOM 0 HG21 THR A 44 -12.149 -10.937 2.156 1.00 51.31 H new ATOM 0 HG22 THR A 44 -10.863 -10.382 1.057 1.00 51.31 H new ATOM 0 HG23 THR A 44 -12.524 -9.773 0.864 1.00 51.31 H new ATOM 687 N ASP A 45 -11.997 -12.845 -3.341 1.00 32.24 N ATOM 688 CA ASP A 45 -11.540 -13.940 -4.202 1.00 52.20 C ATOM 689 C ASP A 45 -10.101 -13.695 -4.631 1.00 23.12 C ATOM 690 O ASP A 45 -9.314 -14.634 -4.755 1.00 3.54 O ATOM 691 CB ASP A 45 -12.356 -13.998 -5.495 1.00 41.25 C ATOM 692 CG ASP A 45 -13.753 -14.602 -5.383 1.00 71.24 C ATOM 693 OD1 ASP A 45 -14.340 -14.644 -4.281 1.00 13.12 O ATOM 694 OD2 ASP A 45 -14.295 -15.032 -6.429 1.00 74.23 O ATOM 0 H ASP A 45 -12.795 -12.329 -3.712 1.00 32.24 H new ATOM 0 HA ASP A 45 -11.647 -14.862 -3.630 1.00 52.20 H new ATOM 0 HB2 ASP A 45 -12.451 -12.985 -5.886 1.00 41.25 H new ATOM 0 HB3 ASP A 45 -11.792 -14.572 -6.230 1.00 41.25 H new ATOM 699 N LEU A 46 -9.765 -12.422 -4.875 1.00 35.41 N ATOM 700 CA LEU A 46 -8.537 -12.038 -5.545 1.00 74.34 C ATOM 701 C LEU A 46 -7.361 -11.906 -4.579 1.00 62.11 C ATOM 702 O LEU A 46 -6.268 -11.536 -5.005 1.00 30.11 O ATOM 703 CB LEU A 46 -8.738 -10.757 -6.376 1.00 32.12 C ATOM 704 CG LEU A 46 -9.805 -10.883 -7.477 1.00 32.34 C ATOM 705 CD1 LEU A 46 -9.875 -9.591 -8.294 1.00 32.50 C ATOM 706 CD2 LEU A 46 -9.533 -12.048 -8.439 1.00 74.21 C ATOM 0 H LEU A 46 -10.349 -11.630 -4.607 1.00 35.41 H new ATOM 0 HA LEU A 46 -8.281 -12.846 -6.231 1.00 74.34 H new ATOM 0 HB2 LEU A 46 -9.016 -9.943 -5.707 1.00 32.12 H new ATOM 0 HB3 LEU A 46 -7.788 -10.482 -6.835 1.00 32.12 H new ATOM 0 HG LEU A 46 -10.749 -11.075 -6.968 1.00 32.34 H new ATOM 0 HD11 LEU A 46 -10.634 -9.692 -9.070 1.00 32.50 H new ATOM 0 HD12 LEU A 46 -10.135 -8.760 -7.639 1.00 32.50 H new ATOM 0 HD13 LEU A 46 -8.906 -9.400 -8.756 1.00 32.50 H new ATOM 0 HD21 LEU A 46 -10.318 -12.087 -9.194 1.00 74.21 H new ATOM 0 HD22 LEU A 46 -8.569 -11.900 -8.926 1.00 74.21 H new ATOM 0 HD23 LEU A 46 -9.518 -12.984 -7.881 1.00 74.21 H new ATOM 718 N VAL A 47 -7.575 -12.182 -3.295 1.00 20.53 N ATOM 719 CA VAL A 47 -6.581 -12.009 -2.242 1.00 10.14 C ATOM 720 C VAL A 47 -6.144 -13.372 -1.688 1.00 13.34 C ATOM 721 O VAL A 47 -6.831 -14.383 -1.866 1.00 10.33 O ATOM 722 CB VAL A 47 -7.074 -10.923 -1.252 1.00 24.54 C ATOM 723 CG1 VAL A 47 -8.522 -10.976 -0.809 1.00 0.42 C ATOM 724 CG2 VAL A 47 -6.207 -10.759 -0.003 1.00 51.24 C ATOM 0 H VAL A 47 -8.466 -12.541 -2.951 1.00 20.53 H new ATOM 0 HA VAL A 47 -5.637 -11.605 -2.608 1.00 10.14 H new ATOM 0 HB VAL A 47 -6.976 -10.054 -1.903 1.00 24.54 H new ATOM 0 HG11 VAL A 47 -8.722 -10.156 -0.119 1.00 0.42 H new ATOM 0 HG12 VAL A 47 -9.172 -10.885 -1.679 1.00 0.42 H new ATOM 0 HG13 VAL A 47 -8.715 -11.925 -0.310 1.00 0.42 H new ATOM 0 HG21 VAL A 47 -6.627 -9.979 0.632 1.00 51.24 H new ATOM 0 HG22 VAL A 47 -6.181 -11.699 0.548 1.00 51.24 H new ATOM 0 HG23 VAL A 47 -5.195 -10.482 -0.297 1.00 51.24 H new ATOM 734 N ALA A 48 -4.959 -13.417 -1.070 1.00 51.11 N ATOM 735 CA ALA A 48 -4.396 -14.634 -0.504 1.00 1.25 C ATOM 736 C ALA A 48 -5.227 -15.072 0.707 1.00 71.34 C ATOM 737 O ALA A 48 -5.765 -14.212 1.415 1.00 33.43 O ATOM 738 CB ALA A 48 -2.945 -14.388 -0.077 1.00 53.22 C ATOM 0 H ALA A 48 -4.363 -12.598 -0.951 1.00 51.11 H new ATOM 0 HA ALA A 48 -4.416 -15.422 -1.257 1.00 1.25 H new ATOM 0 HB1 ALA A 48 -2.530 -15.303 0.346 1.00 53.22 H new ATOM 0 HB2 ALA A 48 -2.356 -14.089 -0.944 1.00 53.22 H new ATOM 0 HB3 ALA A 48 -2.915 -13.596 0.672 1.00 53.22 H new ATOM 744 N PRO A 49 -5.290 -16.379 1.008 1.00 75.13 N ATOM 745 CA PRO A 49 -6.090 -16.885 2.112 1.00 41.51 C ATOM 746 C PRO A 49 -5.545 -16.354 3.440 1.00 42.31 C ATOM 747 O PRO A 49 -6.321 -15.931 4.291 1.00 72.30 O ATOM 748 CB PRO A 49 -6.061 -18.408 1.982 1.00 35.52 C ATOM 749 CG PRO A 49 -4.768 -18.699 1.225 1.00 72.44 C ATOM 750 CD PRO A 49 -4.576 -17.461 0.348 1.00 73.12 C ATOM 0 HA PRO A 49 -7.126 -16.548 2.086 1.00 41.51 H new ATOM 0 HB2 PRO A 49 -6.067 -18.891 2.959 1.00 35.52 H new ATOM 0 HB3 PRO A 49 -6.931 -18.777 1.439 1.00 35.52 H new ATOM 0 HG2 PRO A 49 -3.929 -18.842 1.906 1.00 72.44 H new ATOM 0 HG3 PRO A 49 -4.850 -19.606 0.626 1.00 72.44 H new ATOM 0 HD2 PRO A 49 -3.518 -17.221 0.241 1.00 73.12 H new ATOM 0 HD3 PRO A 49 -4.968 -17.630 -0.655 1.00 73.12 H new ATOM 758 N GLU A 50 -4.219 -16.232 3.578 1.00 45.35 N ATOM 759 CA GLU A 50 -3.570 -15.678 4.761 1.00 31.23 C ATOM 760 C GLU A 50 -3.831 -14.177 4.933 1.00 34.14 C ATOM 761 O GLU A 50 -3.359 -13.604 5.908 1.00 22.11 O ATOM 762 CB GLU A 50 -2.063 -15.997 4.752 1.00 4.44 C ATOM 763 CG GLU A 50 -1.232 -15.053 3.862 1.00 4.10 C ATOM 764 CD GLU A 50 0.274 -15.348 3.909 1.00 73.42 C ATOM 765 OE1 GLU A 50 0.691 -16.457 4.308 1.00 40.11 O ATOM 766 OE2 GLU A 50 1.063 -14.436 3.567 1.00 70.03 O ATOM 0 H GLU A 50 -3.560 -16.522 2.855 1.00 45.35 H new ATOM 0 HA GLU A 50 -4.018 -16.161 5.629 1.00 31.23 H new ATOM 0 HB2 GLU A 50 -1.684 -15.946 5.773 1.00 4.44 H new ATOM 0 HB3 GLU A 50 -1.920 -17.022 4.410 1.00 4.44 H new ATOM 0 HG2 GLU A 50 -1.580 -15.135 2.832 1.00 4.10 H new ATOM 0 HG3 GLU A 50 -1.404 -14.023 4.176 1.00 4.10 H new ATOM 773 N TRP A 51 -4.531 -13.520 4.004 1.00 75.52 N ATOM 774 CA TRP A 51 -4.973 -12.140 4.133 1.00 60.41 C ATOM 775 C TRP A 51 -6.464 -12.106 4.435 1.00 34.53 C ATOM 776 O TRP A 51 -6.849 -11.585 5.480 1.00 63.13 O ATOM 777 CB TRP A 51 -4.583 -11.314 2.902 1.00 31.11 C ATOM 778 CG TRP A 51 -3.287 -10.583 3.026 1.00 43.44 C ATOM 779 CD1 TRP A 51 -2.081 -11.063 2.656 1.00 3.40 C ATOM 780 CD2 TRP A 51 -3.042 -9.234 3.538 1.00 63.51 C ATOM 781 NE1 TRP A 51 -1.110 -10.131 2.940 1.00 21.45 N ATOM 782 CE2 TRP A 51 -1.642 -8.970 3.447 1.00 51.05 C ATOM 783 CE3 TRP A 51 -3.854 -8.206 4.069 1.00 24.31 C ATOM 784 CZ2 TRP A 51 -1.072 -7.754 3.848 1.00 44.15 C ATOM 785 CZ3 TRP A 51 -3.300 -6.970 4.450 1.00 30.41 C ATOM 786 CH2 TRP A 51 -1.918 -6.745 4.334 1.00 72.05 C ATOM 0 H TRP A 51 -4.810 -13.949 3.122 1.00 75.52 H new ATOM 0 HA TRP A 51 -4.462 -11.670 4.973 1.00 60.41 H new ATOM 0 HB2 TRP A 51 -4.529 -11.977 2.039 1.00 31.11 H new ATOM 0 HB3 TRP A 51 -5.374 -10.592 2.700 1.00 31.11 H new ATOM 0 HD1 TRP A 51 -1.906 -12.029 2.207 1.00 3.40 H new ATOM 0 HE1 TRP A 51 -0.112 -10.284 2.792 1.00 21.45 H new ATOM 0 HE3 TRP A 51 -4.915 -8.372 4.184 1.00 24.31 H new ATOM 0 HZ2 TRP A 51 -0.005 -7.597 3.784 1.00 44.15 H new ATOM 0 HZ3 TRP A 51 -3.941 -6.190 4.834 1.00 30.41 H new ATOM 0 HH2 TRP A 51 -1.504 -5.790 4.621 1.00 72.05 H new ATOM 797 N ARG A 52 -7.312 -12.681 3.570 1.00 50.32 N ATOM 798 CA ARG A 52 -8.768 -12.640 3.783 1.00 51.10 C ATOM 799 C ARG A 52 -9.228 -13.387 5.042 1.00 30.04 C ATOM 800 O ARG A 52 -10.371 -13.214 5.443 1.00 35.23 O ATOM 801 CB ARG A 52 -9.544 -13.099 2.553 1.00 63.14 C ATOM 802 CG ARG A 52 -9.248 -14.521 2.051 1.00 5.13 C ATOM 803 CD ARG A 52 -8.885 -14.426 0.568 1.00 24.41 C ATOM 804 NE ARG A 52 -8.963 -15.696 -0.171 1.00 72.23 N ATOM 805 CZ ARG A 52 -10.057 -16.202 -0.757 1.00 53.00 C ATOM 806 NH1 ARG A 52 -11.283 -15.785 -0.436 1.00 10.03 N ATOM 807 NH2 ARG A 52 -9.911 -17.134 -1.687 1.00 30.53 N ATOM 0 H ARG A 52 -7.021 -13.174 2.726 1.00 50.32 H new ATOM 0 HA ARG A 52 -9.001 -11.589 3.952 1.00 51.10 H new ATOM 0 HB2 ARG A 52 -10.609 -13.030 2.775 1.00 63.14 H new ATOM 0 HB3 ARG A 52 -9.342 -12.401 1.741 1.00 63.14 H new ATOM 0 HG2 ARG A 52 -8.429 -14.963 2.617 1.00 5.13 H new ATOM 0 HG3 ARG A 52 -10.117 -15.164 2.191 1.00 5.13 H new ATOM 0 HD2 ARG A 52 -9.548 -13.704 0.092 1.00 24.41 H new ATOM 0 HD3 ARG A 52 -7.872 -14.033 0.481 1.00 24.41 H new ATOM 0 HE ARG A 52 -8.105 -16.242 -0.244 1.00 72.23 H new ATOM 0 HH11 ARG A 52 -11.406 -15.062 0.273 1.00 10.03 H new ATOM 0 HH12 ARG A 52 -12.097 -16.189 -0.899 1.00 10.03 H new ATOM 0 HH21 ARG A 52 -8.978 -17.454 -1.946 1.00 30.53 H new ATOM 0 HH22 ARG A 52 -10.732 -17.531 -2.144 1.00 30.53 H new ATOM 821 N GLN A 53 -8.343 -14.174 5.658 1.00 21.30 N ATOM 822 CA GLN A 53 -8.579 -15.111 6.748 1.00 12.54 C ATOM 823 C GLN A 53 -9.465 -14.548 7.856 1.00 13.15 C ATOM 824 O GLN A 53 -10.409 -15.222 8.267 1.00 12.22 O ATOM 825 CB GLN A 53 -7.199 -15.511 7.320 1.00 21.44 C ATOM 826 CG GLN A 53 -6.952 -17.020 7.265 1.00 0.30 C ATOM 827 CD GLN A 53 -5.484 -17.360 7.543 1.00 71.14 C ATOM 828 OE1 GLN A 53 -4.802 -16.699 8.330 1.00 24.32 O ATOM 829 NE2 GLN A 53 -4.931 -18.379 6.907 1.00 43.01 N ATOM 0 H GLN A 53 -7.362 -14.168 5.380 1.00 21.30 H new ATOM 0 HA GLN A 53 -9.120 -15.971 6.352 1.00 12.54 H new ATOM 0 HB2 GLN A 53 -6.416 -14.998 6.761 1.00 21.44 H new ATOM 0 HB3 GLN A 53 -7.127 -15.173 8.354 1.00 21.44 H new ATOM 0 HG2 GLN A 53 -7.587 -17.520 7.996 1.00 0.30 H new ATOM 0 HG3 GLN A 53 -7.235 -17.400 6.284 1.00 0.30 H new ATOM 0 HE21 GLN A 53 -5.484 -18.933 6.254 1.00 43.01 H new ATOM 0 HE22 GLN A 53 -3.951 -18.611 7.070 1.00 43.01 H new ATOM 838 N ASP A 54 -9.140 -13.345 8.333 1.00 74.02 N ATOM 839 CA ASP A 54 -9.706 -12.742 9.535 1.00 63.31 C ATOM 840 C ASP A 54 -9.943 -11.244 9.275 1.00 34.51 C ATOM 841 O ASP A 54 -10.062 -10.467 10.219 1.00 74.15 O ATOM 842 CB ASP A 54 -8.764 -12.968 10.745 1.00 1.33 C ATOM 843 CG ASP A 54 -9.056 -14.235 11.555 1.00 3.34 C ATOM 844 OD1 ASP A 54 -9.232 -15.319 10.974 1.00 72.44 O ATOM 845 OD2 ASP A 54 -8.948 -14.204 12.807 1.00 70.12 O ATOM 0 H ASP A 54 -8.452 -12.746 7.876 1.00 74.02 H new ATOM 0 HA ASP A 54 -10.660 -13.212 9.775 1.00 63.31 H new ATOM 0 HB2 ASP A 54 -7.736 -13.012 10.385 1.00 1.33 H new ATOM 0 HB3 ASP A 54 -8.833 -12.105 11.408 1.00 1.33 H new ATOM 850 N TYR A 55 -9.957 -10.813 8.007 1.00 52.14 N ATOM 851 CA TYR A 55 -10.078 -9.432 7.551 1.00 53.35 C ATOM 852 C TYR A 55 -11.495 -9.242 6.989 1.00 40.24 C ATOM 853 O TYR A 55 -11.704 -9.486 5.798 1.00 73.32 O ATOM 854 CB TYR A 55 -8.999 -9.107 6.499 1.00 3.55 C ATOM 855 CG TYR A 55 -7.662 -8.659 7.073 1.00 74.24 C ATOM 856 CD1 TYR A 55 -6.933 -9.496 7.939 1.00 23.20 C ATOM 857 CD2 TYR A 55 -7.172 -7.370 6.782 1.00 73.34 C ATOM 858 CE1 TYR A 55 -5.770 -9.028 8.575 1.00 74.13 C ATOM 859 CE2 TYR A 55 -6.018 -6.891 7.422 1.00 3.02 C ATOM 860 CZ TYR A 55 -5.320 -7.711 8.335 1.00 62.10 C ATOM 861 OH TYR A 55 -4.228 -7.223 8.985 1.00 25.20 O ATOM 0 H TYR A 55 -9.879 -11.465 7.227 1.00 52.14 H new ATOM 0 HA TYR A 55 -9.921 -8.742 8.380 1.00 53.35 H new ATOM 0 HB2 TYR A 55 -8.836 -9.990 5.882 1.00 3.55 H new ATOM 0 HB3 TYR A 55 -9.377 -8.324 5.841 1.00 3.55 H new ATOM 0 HD1 TYR A 55 -7.270 -10.507 8.116 1.00 23.20 H new ATOM 0 HD2 TYR A 55 -7.686 -6.748 6.064 1.00 73.34 H new ATOM 0 HE1 TYR A 55 -5.222 -9.674 9.245 1.00 74.13 H new ATOM 0 HE2 TYR A 55 -5.663 -5.892 7.215 1.00 3.02 H new ATOM 0 HH TYR A 55 -3.870 -7.910 9.585 1.00 25.20 H new ATOM 871 N PRO A 56 -12.508 -8.926 7.814 1.00 55.14 N ATOM 872 CA PRO A 56 -13.843 -8.573 7.339 1.00 72.44 C ATOM 873 C PRO A 56 -13.856 -7.289 6.504 1.00 53.21 C ATOM 874 O PRO A 56 -14.724 -7.149 5.643 1.00 54.30 O ATOM 875 CB PRO A 56 -14.715 -8.444 8.592 1.00 20.51 C ATOM 876 CG PRO A 56 -13.721 -8.178 9.717 1.00 50.22 C ATOM 877 CD PRO A 56 -12.476 -8.935 9.264 1.00 72.45 C ATOM 0 HA PRO A 56 -14.222 -9.341 6.665 1.00 72.44 H new ATOM 0 HB2 PRO A 56 -15.433 -7.630 8.495 1.00 20.51 H new ATOM 0 HB3 PRO A 56 -15.287 -9.354 8.774 1.00 20.51 H new ATOM 0 HG2 PRO A 56 -13.524 -7.113 9.837 1.00 50.22 H new ATOM 0 HG3 PRO A 56 -14.089 -8.544 10.675 1.00 50.22 H new ATOM 0 HD2 PRO A 56 -11.571 -8.456 9.637 1.00 72.45 H new ATOM 0 HD3 PRO A 56 -12.478 -9.955 9.648 1.00 72.45 H new ATOM 885 N GLU A 57 -12.902 -6.378 6.697 1.00 54.51 N ATOM 886 CA GLU A 57 -12.805 -5.114 5.967 1.00 33.14 C ATOM 887 C GLU A 57 -11.434 -4.989 5.300 1.00 22.21 C ATOM 888 O GLU A 57 -10.486 -5.685 5.686 1.00 11.22 O ATOM 889 CB GLU A 57 -13.081 -3.910 6.895 1.00 54.23 C ATOM 890 CG GLU A 57 -14.552 -3.477 6.826 1.00 72.33 C ATOM 891 CD GLU A 57 -14.785 -2.107 7.477 1.00 64.12 C ATOM 892 OE1 GLU A 57 -15.077 -2.097 8.697 1.00 74.54 O ATOM 893 OE2 GLU A 57 -14.725 -1.075 6.773 1.00 2.20 O ATOM 0 H GLU A 57 -12.157 -6.502 7.382 1.00 54.51 H new ATOM 0 HA GLU A 57 -13.568 -5.110 5.189 1.00 33.14 H new ATOM 0 HB2 GLU A 57 -12.825 -4.173 7.921 1.00 54.23 H new ATOM 0 HB3 GLU A 57 -12.440 -3.075 6.611 1.00 54.23 H new ATOM 0 HG2 GLU A 57 -14.870 -3.441 5.784 1.00 72.33 H new ATOM 0 HG3 GLU A 57 -15.172 -4.223 7.322 1.00 72.33 H new ATOM 900 N PRO A 58 -11.305 -4.088 4.311 1.00 11.33 N ATOM 901 CA PRO A 58 -10.020 -3.761 3.730 1.00 30.54 C ATOM 902 C PRO A 58 -9.106 -3.124 4.786 1.00 74.24 C ATOM 903 O PRO A 58 -9.591 -2.529 5.754 1.00 61.50 O ATOM 904 CB PRO A 58 -10.328 -2.812 2.578 1.00 12.13 C ATOM 905 CG PRO A 58 -11.652 -2.167 2.957 1.00 32.22 C ATOM 906 CD PRO A 58 -12.359 -3.302 3.685 1.00 61.41 C ATOM 0 HA PRO A 58 -9.485 -4.640 3.369 1.00 30.54 H new ATOM 0 HB2 PRO A 58 -9.543 -2.065 2.459 1.00 12.13 H new ATOM 0 HB3 PRO A 58 -10.404 -3.348 1.632 1.00 12.13 H new ATOM 0 HG2 PRO A 58 -11.513 -1.296 3.597 1.00 32.22 H new ATOM 0 HG3 PRO A 58 -12.209 -1.834 2.081 1.00 32.22 H new ATOM 0 HD2 PRO A 58 -13.054 -2.916 4.430 1.00 61.41 H new ATOM 0 HD3 PRO A 58 -12.941 -3.909 2.991 1.00 61.41 H new ATOM 914 N PRO A 59 -7.780 -3.233 4.610 1.00 33.42 N ATOM 915 CA PRO A 59 -6.824 -2.785 5.604 1.00 33.35 C ATOM 916 C PRO A 59 -6.780 -1.260 5.679 1.00 2.53 C ATOM 917 O PRO A 59 -6.312 -0.608 4.746 1.00 73.43 O ATOM 918 CB PRO A 59 -5.489 -3.384 5.175 1.00 32.23 C ATOM 919 CG PRO A 59 -5.627 -3.634 3.678 1.00 22.24 C ATOM 920 CD PRO A 59 -7.111 -3.932 3.520 1.00 33.32 C ATOM 0 HA PRO A 59 -7.092 -3.110 6.609 1.00 33.35 H new ATOM 0 HB2 PRO A 59 -4.665 -2.702 5.386 1.00 32.23 H new ATOM 0 HB3 PRO A 59 -5.282 -4.310 5.712 1.00 32.23 H new ATOM 0 HG2 PRO A 59 -5.325 -2.765 3.093 1.00 22.24 H new ATOM 0 HG3 PRO A 59 -5.010 -4.470 3.349 1.00 22.24 H new ATOM 0 HD2 PRO A 59 -7.477 -3.588 2.553 1.00 33.32 H new ATOM 0 HD3 PRO A 59 -7.301 -5.004 3.569 1.00 33.32 H new ATOM 928 N ASP A 60 -7.244 -0.697 6.793 1.00 41.52 N ATOM 929 CA ASP A 60 -7.217 0.741 7.036 1.00 15.14 C ATOM 930 C ASP A 60 -5.828 1.131 7.535 1.00 63.54 C ATOM 931 O ASP A 60 -5.443 0.784 8.659 1.00 30.23 O ATOM 932 CB ASP A 60 -8.282 1.157 8.059 1.00 54.33 C ATOM 933 CG ASP A 60 -8.516 2.663 8.030 1.00 54.23 C ATOM 934 OD1 ASP A 60 -7.599 3.437 7.668 1.00 12.12 O ATOM 935 OD2 ASP A 60 -9.630 3.094 8.402 1.00 63.00 O ATOM 0 H ASP A 60 -7.653 -1.233 7.559 1.00 41.52 H new ATOM 0 HA ASP A 60 -7.439 1.259 6.103 1.00 15.14 H new ATOM 0 HB2 ASP A 60 -9.216 0.637 7.847 1.00 54.33 H new ATOM 0 HB3 ASP A 60 -7.968 0.854 9.058 1.00 54.33 H new ATOM 940 N PHE A 61 -5.031 1.790 6.694 1.00 61.42 N ATOM 941 CA PHE A 61 -3.704 2.276 7.073 1.00 1.21 C ATOM 942 C PHE A 61 -3.753 3.671 7.707 1.00 70.13 C ATOM 943 O PHE A 61 -2.751 4.103 8.281 1.00 1.23 O ATOM 944 CB PHE A 61 -2.790 2.290 5.839 1.00 35.13 C ATOM 945 CG PHE A 61 -2.635 0.931 5.185 1.00 62.53 C ATOM 946 CD1 PHE A 61 -1.681 0.011 5.663 1.00 74.15 C ATOM 947 CD2 PHE A 61 -3.473 0.568 4.116 1.00 55.45 C ATOM 948 CE1 PHE A 61 -1.570 -1.258 5.066 1.00 33.22 C ATOM 949 CE2 PHE A 61 -3.351 -0.692 3.513 1.00 13.41 C ATOM 950 CZ PHE A 61 -2.404 -1.611 3.988 1.00 22.13 C ATOM 0 H PHE A 61 -5.287 2.002 5.730 1.00 61.42 H new ATOM 0 HA PHE A 61 -3.305 1.596 7.826 1.00 1.21 H new ATOM 0 HB2 PHE A 61 -3.191 2.992 5.108 1.00 35.13 H new ATOM 0 HB3 PHE A 61 -1.806 2.659 6.130 1.00 35.13 H new ATOM 0 HD1 PHE A 61 -1.036 0.280 6.486 1.00 74.15 H new ATOM 0 HD2 PHE A 61 -4.216 1.265 3.757 1.00 55.45 H new ATOM 0 HE1 PHE A 61 -0.842 -1.965 5.436 1.00 33.22 H new ATOM 0 HE2 PHE A 61 -3.987 -0.955 2.681 1.00 13.41 H new ATOM 0 HZ PHE A 61 -2.315 -2.585 3.529 1.00 22.13 H new ATOM 960 N ILE A 62 -4.879 4.382 7.603 1.00 22.12 N ATOM 961 CA ILE A 62 -4.990 5.811 7.886 1.00 21.40 C ATOM 962 C ILE A 62 -5.584 5.995 9.281 1.00 23.55 C ATOM 963 O ILE A 62 -5.085 6.821 10.046 1.00 72.22 O ATOM 964 CB ILE A 62 -5.828 6.513 6.789 1.00 33.11 C ATOM 965 CG1 ILE A 62 -5.236 6.234 5.384 1.00 20.12 C ATOM 966 CG2 ILE A 62 -5.930 8.027 7.068 1.00 43.13 C ATOM 967 CD1 ILE A 62 -6.063 6.792 4.224 1.00 0.20 C ATOM 0 H ILE A 62 -5.763 3.965 7.311 1.00 22.12 H new ATOM 0 HA ILE A 62 -4.005 6.277 7.873 1.00 21.40 H new ATOM 0 HB ILE A 62 -6.838 6.103 6.809 1.00 33.11 H new ATOM 0 HG12 ILE A 62 -4.233 6.658 5.336 1.00 20.12 H new ATOM 0 HG13 ILE A 62 -5.133 5.157 5.255 1.00 20.12 H new ATOM 0 HG21 ILE A 62 -6.523 8.502 6.286 1.00 43.13 H new ATOM 0 HG22 ILE A 62 -6.409 8.188 8.034 1.00 43.13 H new ATOM 0 HG23 ILE A 62 -4.931 8.463 7.081 1.00 43.13 H new ATOM 0 HD11 ILE A 62 -5.575 6.550 3.280 1.00 0.20 H new ATOM 0 HD12 ILE A 62 -7.059 6.349 4.241 1.00 0.20 H new ATOM 0 HD13 ILE A 62 -6.145 7.874 4.323 1.00 0.20 H new ATOM 979 N ALA A 63 -6.604 5.209 9.635 1.00 2.14 N ATOM 980 CA ALA A 63 -7.217 5.213 10.956 1.00 15.53 C ATOM 981 C ALA A 63 -6.690 4.085 11.848 1.00 44.03 C ATOM 982 O ALA A 63 -6.978 4.087 13.043 1.00 12.12 O ATOM 983 CB ALA A 63 -8.735 5.089 10.821 1.00 24.13 C ATOM 0 H ALA A 63 -7.032 4.540 8.995 1.00 2.14 H new ATOM 0 HA ALA A 63 -6.955 6.158 11.432 1.00 15.53 H new ATOM 0 HB1 ALA A 63 -9.190 5.092 11.812 1.00 24.13 H new ATOM 0 HB2 ALA A 63 -9.119 5.929 10.243 1.00 24.13 H new ATOM 0 HB3 ALA A 63 -8.980 4.157 10.312 1.00 24.13 H new ATOM 989 N SER A 64 -5.940 3.116 11.308 1.00 5.23 N ATOM 990 CA SER A 64 -5.425 1.998 12.088 1.00 3.34 C ATOM 991 C SER A 64 -4.028 1.591 11.631 1.00 41.30 C ATOM 992 O SER A 64 -3.461 2.239 10.745 1.00 72.04 O ATOM 993 CB SER A 64 -6.460 0.870 12.076 1.00 31.33 C ATOM 994 OG SER A 64 -6.317 0.139 13.275 1.00 54.23 O ATOM 0 H SER A 64 -5.678 3.090 10.323 1.00 5.23 H new ATOM 0 HA SER A 64 -5.285 2.290 13.129 1.00 3.34 H new ATOM 0 HB2 SER A 64 -7.468 1.277 11.995 1.00 31.33 H new ATOM 0 HB3 SER A 64 -6.308 0.222 11.213 1.00 31.33 H new ATOM 0 HG SER A 64 -6.971 -0.590 13.293 1.00 54.23 H new ATOM 1000 N ARG A 65 -3.404 0.603 12.290 1.00 54.50 N ATOM 1001 CA ARG A 65 -2.206 -0.025 11.730 1.00 74.43 C ATOM 1002 C ARG A 65 -2.092 -1.535 12.023 1.00 23.44 C ATOM 1003 O ARG A 65 -0.981 -2.006 12.275 1.00 4.51 O ATOM 1004 CB ARG A 65 -0.973 0.783 12.227 1.00 62.21 C ATOM 1005 CG ARG A 65 -0.724 0.923 13.749 1.00 2.43 C ATOM 1006 CD ARG A 65 -0.010 -0.280 14.386 1.00 1.21 C ATOM 1007 NE ARG A 65 0.541 0.008 15.720 1.00 12.31 N ATOM 1008 CZ ARG A 65 1.275 -0.845 16.448 1.00 34.40 C ATOM 1009 NH1 ARG A 65 1.694 -1.996 15.933 1.00 52.21 N ATOM 1010 NH2 ARG A 65 1.593 -0.566 17.705 1.00 61.13 N ATOM 0 H ARG A 65 -3.703 0.231 13.191 1.00 54.50 H new ATOM 0 HA ARG A 65 -2.265 0.012 10.642 1.00 74.43 H new ATOM 0 HB2 ARG A 65 -0.085 0.327 11.790 1.00 62.21 H new ATOM 0 HB3 ARG A 65 -1.052 1.789 11.814 1.00 62.21 H new ATOM 0 HG2 ARG A 65 -0.130 1.819 13.927 1.00 2.43 H new ATOM 0 HG3 ARG A 65 -1.681 1.070 14.250 1.00 2.43 H new ATOM 0 HD2 ARG A 65 -0.711 -1.111 14.462 1.00 1.21 H new ATOM 0 HD3 ARG A 65 0.798 -0.604 13.729 1.00 1.21 H new ATOM 0 HE ARG A 65 0.350 0.926 16.121 1.00 12.31 H new ATOM 0 HH11 ARG A 65 1.458 -2.240 14.971 1.00 52.21 H new ATOM 0 HH12 ARG A 65 2.252 -2.635 16.499 1.00 52.21 H new ATOM 0 HH21 ARG A 65 1.278 0.307 18.129 1.00 61.13 H new ATOM 0 HH22 ARG A 65 2.152 -1.224 18.248 1.00 61.13 H new ATOM 1024 N PRO A 66 -3.115 -2.374 11.765 1.00 11.14 N ATOM 1025 CA PRO A 66 -2.957 -3.816 11.894 1.00 33.01 C ATOM 1026 C PRO A 66 -2.208 -4.389 10.700 1.00 34.31 C ATOM 1027 O PRO A 66 -1.347 -5.258 10.865 1.00 33.03 O ATOM 1028 CB PRO A 66 -4.370 -4.391 11.966 1.00 63.00 C ATOM 1029 CG PRO A 66 -5.233 -3.357 11.254 1.00 12.31 C ATOM 1030 CD PRO A 66 -4.526 -2.052 11.603 1.00 24.41 C ATOM 0 HA PRO A 66 -2.376 -4.070 12.781 1.00 33.01 H new ATOM 0 HB2 PRO A 66 -4.429 -5.363 11.477 1.00 63.00 H new ATOM 0 HB3 PRO A 66 -4.690 -4.533 12.998 1.00 63.00 H new ATOM 0 HG2 PRO A 66 -5.267 -3.526 10.178 1.00 12.31 H new ATOM 0 HG3 PRO A 66 -6.263 -3.370 11.611 1.00 12.31 H new ATOM 0 HD2 PRO A 66 -4.667 -1.312 10.815 1.00 24.41 H new ATOM 0 HD3 PRO A 66 -4.933 -1.623 12.519 1.00 24.41 H new ATOM 1038 N ALA A 67 -2.550 -3.935 9.492 1.00 13.22 N ATOM 1039 CA ALA A 67 -2.013 -4.501 8.271 1.00 22.05 C ATOM 1040 C ALA A 67 -0.544 -4.143 8.102 1.00 34.11 C ATOM 1041 O ALA A 67 0.145 -4.838 7.375 1.00 14.42 O ATOM 1042 CB ALA A 67 -2.831 -4.018 7.083 1.00 23.04 C ATOM 0 H ALA A 67 -3.205 -3.168 9.342 1.00 13.22 H new ATOM 0 HA ALA A 67 -2.079 -5.588 8.328 1.00 22.05 H new ATOM 0 HB1 ALA A 67 -2.426 -4.444 6.165 1.00 23.04 H new ATOM 0 HB2 ALA A 67 -3.868 -4.333 7.203 1.00 23.04 H new ATOM 0 HB3 ALA A 67 -2.786 -2.930 7.028 1.00 23.04 H new ATOM 1048 N THR A 68 -0.040 -3.127 8.796 1.00 50.53 N ATOM 1049 CA THR A 68 1.360 -2.730 8.820 1.00 33.41 C ATOM 1050 C THR A 68 2.272 -3.924 9.169 1.00 14.41 C ATOM 1051 O THR A 68 3.302 -4.124 8.524 1.00 24.43 O ATOM 1052 CB THR A 68 1.456 -1.553 9.805 1.00 0.43 C ATOM 1053 OG1 THR A 68 0.474 -0.592 9.447 1.00 64.24 O ATOM 1054 CG2 THR A 68 2.811 -0.857 9.819 1.00 4.14 C ATOM 0 H THR A 68 -0.625 -2.532 9.383 1.00 50.53 H new ATOM 0 HA THR A 68 1.715 -2.406 7.842 1.00 33.41 H new ATOM 0 HB THR A 68 1.303 -1.968 10.801 1.00 0.43 H new ATOM 0 HG1 THR A 68 0.787 0.303 9.694 1.00 64.24 H new ATOM 0 HG21 THR A 68 2.793 -0.040 10.540 1.00 4.14 H new ATOM 0 HG22 THR A 68 3.584 -1.572 10.100 1.00 4.14 H new ATOM 0 HG23 THR A 68 3.027 -0.461 8.827 1.00 4.14 H new ATOM 1062 N VAL A 69 1.875 -4.776 10.122 1.00 53.53 N ATOM 1063 CA VAL A 69 2.624 -5.983 10.480 1.00 12.22 C ATOM 1064 C VAL A 69 2.634 -6.960 9.297 1.00 52.55 C ATOM 1065 O VAL A 69 3.667 -7.542 8.956 1.00 60.41 O ATOM 1066 CB VAL A 69 1.991 -6.639 11.729 1.00 11.42 C ATOM 1067 CG1 VAL A 69 2.877 -7.768 12.274 1.00 61.42 C ATOM 1068 CG2 VAL A 69 1.746 -5.624 12.856 1.00 35.22 C ATOM 0 H VAL A 69 1.023 -4.646 10.667 1.00 53.53 H new ATOM 0 HA VAL A 69 3.654 -5.716 10.714 1.00 12.22 H new ATOM 0 HB VAL A 69 1.033 -7.044 11.404 1.00 11.42 H new ATOM 0 HG11 VAL A 69 2.405 -8.209 13.152 1.00 61.42 H new ATOM 0 HG12 VAL A 69 3.005 -8.533 11.508 1.00 61.42 H new ATOM 0 HG13 VAL A 69 3.851 -7.365 12.550 1.00 61.42 H new ATOM 0 HG21 VAL A 69 1.301 -6.131 13.712 1.00 35.22 H new ATOM 0 HG22 VAL A 69 2.694 -5.175 13.153 1.00 35.22 H new ATOM 0 HG23 VAL A 69 1.070 -4.845 12.504 1.00 35.22 H new ATOM 1078 N LYS A 70 1.467 -7.130 8.675 1.00 43.31 N ATOM 1079 CA LYS A 70 1.197 -8.056 7.585 1.00 5.34 C ATOM 1080 C LYS A 70 2.014 -7.651 6.355 1.00 52.32 C ATOM 1081 O LYS A 70 2.750 -8.468 5.809 1.00 41.11 O ATOM 1082 CB LYS A 70 -0.330 -8.072 7.367 1.00 44.34 C ATOM 1083 CG LYS A 70 -0.877 -9.458 7.004 1.00 14.13 C ATOM 1084 CD LYS A 70 -2.394 -9.512 7.269 1.00 45.51 C ATOM 1085 CE LYS A 70 -3.006 -10.884 6.985 1.00 42.35 C ATOM 1086 NZ LYS A 70 -2.582 -11.923 7.947 1.00 2.44 N ATOM 0 H LYS A 70 0.641 -6.592 8.937 1.00 43.31 H new ATOM 0 HA LYS A 70 1.507 -9.076 7.809 1.00 5.34 H new ATOM 0 HB2 LYS A 70 -0.823 -7.721 8.273 1.00 44.34 H new ATOM 0 HB3 LYS A 70 -0.584 -7.370 6.573 1.00 44.34 H new ATOM 0 HG2 LYS A 70 -0.675 -9.674 5.955 1.00 14.13 H new ATOM 0 HG3 LYS A 70 -0.369 -10.223 7.591 1.00 14.13 H new ATOM 0 HD2 LYS A 70 -2.585 -9.244 8.308 1.00 45.51 H new ATOM 0 HD3 LYS A 70 -2.891 -8.764 6.651 1.00 45.51 H new ATOM 0 HE2 LYS A 70 -4.093 -10.801 7.006 1.00 42.35 H new ATOM 0 HE3 LYS A 70 -2.729 -11.196 5.978 1.00 42.35 H new ATOM 0 HZ1 LYS A 70 -2.689 -12.862 7.513 1.00 2.44 H new ATOM 0 HZ2 LYS A 70 -1.586 -11.772 8.204 1.00 2.44 H new ATOM 0 HZ3 LYS A 70 -3.173 -11.867 8.801 1.00 2.44 H new ATOM 1100 N LEU A 71 1.981 -6.362 6.004 1.00 15.02 N ATOM 1101 CA LEU A 71 2.828 -5.706 5.015 1.00 52.11 C ATOM 1102 C LEU A 71 4.283 -6.050 5.270 1.00 44.13 C ATOM 1103 O LEU A 71 4.965 -6.466 4.342 1.00 40.54 O ATOM 1104 CB LEU A 71 2.666 -4.173 5.076 1.00 14.24 C ATOM 1105 CG LEU A 71 1.845 -3.567 3.935 1.00 24.22 C ATOM 1106 CD1 LEU A 71 0.416 -4.086 3.936 1.00 30.35 C ATOM 1107 CD2 LEU A 71 1.859 -2.037 4.036 1.00 15.40 C ATOM 0 H LEU A 71 1.320 -5.713 6.431 1.00 15.02 H new ATOM 0 HA LEU A 71 2.524 -6.059 4.029 1.00 52.11 H new ATOM 0 HB2 LEU A 71 2.195 -3.909 6.023 1.00 14.24 H new ATOM 0 HB3 LEU A 71 3.656 -3.717 5.074 1.00 14.24 H new ATOM 0 HG LEU A 71 2.303 -3.869 2.993 1.00 24.22 H new ATOM 0 HD11 LEU A 71 -0.136 -3.634 3.112 1.00 30.35 H new ATOM 0 HD12 LEU A 71 0.422 -5.169 3.817 1.00 30.35 H new ATOM 0 HD13 LEU A 71 -0.064 -3.828 4.880 1.00 30.35 H new ATOM 0 HD21 LEU A 71 1.273 -1.613 3.221 1.00 15.40 H new ATOM 0 HD22 LEU A 71 1.428 -1.731 4.990 1.00 15.40 H new ATOM 0 HD23 LEU A 71 2.886 -1.677 3.970 1.00 15.40 H new ATOM 1119 N THR A 72 4.768 -5.874 6.503 1.00 44.34 N ATOM 1120 CA THR A 72 6.166 -6.091 6.832 1.00 14.43 C ATOM 1121 C THR A 72 6.567 -7.539 6.542 1.00 40.14 C ATOM 1122 O THR A 72 7.689 -7.782 6.098 1.00 20.31 O ATOM 1123 CB THR A 72 6.418 -5.665 8.285 1.00 54.54 C ATOM 1124 OG1 THR A 72 6.290 -4.258 8.399 1.00 53.45 O ATOM 1125 CG2 THR A 72 7.812 -6.053 8.761 1.00 33.51 C ATOM 0 H THR A 72 4.197 -5.577 7.295 1.00 44.34 H new ATOM 0 HA THR A 72 6.804 -5.473 6.201 1.00 14.43 H new ATOM 0 HB THR A 72 5.681 -6.179 8.903 1.00 54.54 H new ATOM 0 HG1 THR A 72 5.341 -4.019 8.452 1.00 53.45 H new ATOM 0 HG21 THR A 72 7.946 -5.732 9.794 1.00 33.51 H new ATOM 0 HG22 THR A 72 7.930 -7.135 8.699 1.00 33.51 H new ATOM 0 HG23 THR A 72 8.559 -5.570 8.131 1.00 33.51 H new ATOM 1133 N ARG A 73 5.661 -8.509 6.716 1.00 22.32 N ATOM 1134 CA ARG A 73 5.974 -9.885 6.354 1.00 4.21 C ATOM 1135 C ARG A 73 6.285 -10.035 4.865 1.00 33.44 C ATOM 1136 O ARG A 73 7.103 -10.880 4.504 1.00 73.31 O ATOM 1137 CB ARG A 73 4.861 -10.855 6.752 1.00 70.03 C ATOM 1138 CG ARG A 73 4.366 -10.673 8.191 1.00 2.13 C ATOM 1139 CD ARG A 73 3.913 -11.974 8.846 1.00 64.32 C ATOM 1140 NE ARG A 73 2.972 -12.742 8.018 1.00 22.12 N ATOM 1141 CZ ARG A 73 2.515 -13.967 8.299 1.00 65.42 C ATOM 1142 NH1 ARG A 73 2.800 -14.566 9.453 1.00 13.13 N ATOM 1143 NH2 ARG A 73 1.774 -14.580 7.390 1.00 31.12 N ATOM 0 H ARG A 73 4.726 -8.366 7.097 1.00 22.32 H new ATOM 0 HA ARG A 73 6.870 -10.142 6.918 1.00 4.21 H new ATOM 0 HB2 ARG A 73 4.020 -10.728 6.070 1.00 70.03 H new ATOM 0 HB3 ARG A 73 5.221 -11.876 6.628 1.00 70.03 H new ATOM 0 HG2 ARG A 73 5.164 -10.233 8.789 1.00 2.13 H new ATOM 0 HG3 ARG A 73 3.537 -9.965 8.195 1.00 2.13 H new ATOM 0 HD2 ARG A 73 4.787 -12.590 9.058 1.00 64.32 H new ATOM 0 HD3 ARG A 73 3.443 -11.747 9.803 1.00 64.32 H new ATOM 0 HE ARG A 73 2.640 -12.305 7.158 1.00 22.12 H new ATOM 0 HH11 ARG A 73 3.378 -14.090 10.145 1.00 13.13 H new ATOM 0 HH12 ARG A 73 2.440 -15.501 9.645 1.00 13.13 H new ATOM 0 HH21 ARG A 73 1.566 -14.117 6.505 1.00 31.12 H new ATOM 0 HH22 ARG A 73 1.411 -15.515 7.574 1.00 31.12 H new ATOM 1157 N SER A 74 5.649 -9.234 4.018 1.00 51.12 N ATOM 1158 CA SER A 74 5.890 -9.129 2.585 1.00 63.22 C ATOM 1159 C SER A 74 6.963 -8.083 2.222 1.00 11.12 C ATOM 1160 O SER A 74 7.155 -7.833 1.033 1.00 35.21 O ATOM 1161 CB SER A 74 4.552 -8.812 1.899 1.00 12.51 C ATOM 1162 OG SER A 74 3.684 -9.925 1.978 1.00 61.15 O ATOM 0 H SER A 74 4.910 -8.605 4.331 1.00 51.12 H new ATOM 0 HA SER A 74 6.288 -10.080 2.232 1.00 63.22 H new ATOM 0 HB2 SER A 74 4.089 -7.947 2.373 1.00 12.51 H new ATOM 0 HB3 SER A 74 4.724 -8.550 0.855 1.00 12.51 H new ATOM 0 HG SER A 74 2.835 -9.709 1.539 1.00 61.15 H new ATOM 1168 N ILE A 75 7.670 -7.474 3.185 1.00 33.25 N ATOM 1169 CA ILE A 75 8.743 -6.500 2.964 1.00 60.14 C ATOM 1170 C ILE A 75 10.059 -7.157 3.424 1.00 12.12 C ATOM 1171 O ILE A 75 10.448 -7.014 4.587 1.00 31.11 O ATOM 1172 CB ILE A 75 8.408 -5.146 3.639 1.00 61.41 C ATOM 1173 CG1 ILE A 75 7.176 -4.491 2.971 1.00 45.32 C ATOM 1174 CG2 ILE A 75 9.607 -4.183 3.625 1.00 1.44 C ATOM 1175 CD1 ILE A 75 6.565 -3.357 3.805 1.00 51.32 C ATOM 0 H ILE A 75 7.502 -7.655 4.175 1.00 33.25 H new ATOM 0 HA ILE A 75 8.855 -6.242 1.911 1.00 60.14 H new ATOM 0 HB ILE A 75 8.171 -5.355 4.682 1.00 61.41 H new ATOM 0 HG12 ILE A 75 7.465 -4.100 1.995 1.00 45.32 H new ATOM 0 HG13 ILE A 75 6.417 -5.254 2.797 1.00 45.32 H new ATOM 0 HG21 ILE A 75 9.327 -3.247 4.108 1.00 1.44 H new ATOM 0 HG22 ILE A 75 10.442 -4.633 4.162 1.00 1.44 H new ATOM 0 HG23 ILE A 75 9.903 -3.985 2.595 1.00 1.44 H new ATOM 0 HD11 ILE A 75 5.705 -2.941 3.279 1.00 51.32 H new ATOM 0 HD12 ILE A 75 6.246 -3.747 4.771 1.00 51.32 H new ATOM 0 HD13 ILE A 75 7.310 -2.576 3.958 1.00 51.32 H new ATOM 1187 N PRO A 76 10.723 -7.937 2.551 1.00 60.32 N ATOM 1188 CA PRO A 76 11.953 -8.653 2.871 1.00 64.35 C ATOM 1189 C PRO A 76 13.148 -7.688 2.955 1.00 23.14 C ATOM 1190 O PRO A 76 13.043 -6.510 2.599 1.00 43.22 O ATOM 1191 CB PRO A 76 12.092 -9.651 1.717 1.00 71.23 C ATOM 1192 CG PRO A 76 11.615 -8.831 0.536 1.00 45.41 C ATOM 1193 CD PRO A 76 10.379 -8.178 1.156 1.00 55.33 C ATOM 0 HA PRO A 76 11.927 -9.147 3.842 1.00 64.35 H new ATOM 0 HB2 PRO A 76 13.121 -9.989 1.591 1.00 71.23 H new ATOM 0 HB3 PRO A 76 11.481 -10.540 1.870 1.00 71.23 H new ATOM 0 HG2 PRO A 76 12.354 -8.100 0.209 1.00 45.41 H new ATOM 0 HG3 PRO A 76 11.372 -9.447 -0.330 1.00 45.41 H new ATOM 0 HD2 PRO A 76 10.130 -7.247 0.647 1.00 55.33 H new ATOM 0 HD3 PRO A 76 9.508 -8.829 1.073 1.00 55.33 H new ATOM 1201 N ALA A 77 14.304 -8.203 3.378 1.00 11.10 N ATOM 1202 CA ALA A 77 15.537 -7.448 3.573 1.00 2.14 C ATOM 1203 C ALA A 77 16.006 -6.670 2.325 1.00 23.40 C ATOM 1204 O ALA A 77 16.392 -5.512 2.486 1.00 22.33 O ATOM 1205 CB ALA A 77 16.619 -8.387 4.117 1.00 54.23 C ATOM 0 H ALA A 77 14.408 -9.193 3.601 1.00 11.10 H new ATOM 0 HA ALA A 77 15.332 -6.667 4.305 1.00 2.14 H new ATOM 0 HB1 ALA A 77 17.544 -7.829 4.265 1.00 54.23 H new ATOM 0 HB2 ALA A 77 16.292 -8.807 5.068 1.00 54.23 H new ATOM 0 HB3 ALA A 77 16.792 -9.194 3.405 1.00 54.23 H new ATOM 1211 N PRO A 78 15.960 -7.214 1.091 1.00 4.50 N ATOM 1212 CA PRO A 78 16.347 -6.464 -0.106 1.00 33.41 C ATOM 1213 C PRO A 78 15.373 -5.348 -0.503 1.00 42.04 C ATOM 1214 O PRO A 78 15.731 -4.519 -1.335 1.00 45.20 O ATOM 1215 CB PRO A 78 16.457 -7.506 -1.228 1.00 64.25 C ATOM 1216 CG PRO A 78 15.537 -8.627 -0.759 1.00 60.25 C ATOM 1217 CD PRO A 78 15.759 -8.613 0.741 1.00 55.42 C ATOM 0 HA PRO A 78 17.283 -5.940 0.089 1.00 33.41 H new ATOM 0 HB2 PRO A 78 16.138 -7.099 -2.187 1.00 64.25 H new ATOM 0 HB3 PRO A 78 17.482 -7.854 -1.355 1.00 64.25 H new ATOM 0 HG2 PRO A 78 14.496 -8.436 -1.019 1.00 60.25 H new ATOM 0 HG3 PRO A 78 15.805 -9.586 -1.202 1.00 60.25 H new ATOM 0 HD2 PRO A 78 14.901 -9.030 1.269 1.00 55.42 H new ATOM 0 HD3 PRO A 78 16.626 -9.215 1.015 1.00 55.42 H new ATOM 1225 N TYR A 79 14.154 -5.277 0.040 1.00 10.52 N ATOM 1226 CA TYR A 79 13.102 -4.407 -0.504 1.00 12.42 C ATOM 1227 C TYR A 79 12.681 -3.303 0.475 1.00 70.12 C ATOM 1228 O TYR A 79 11.667 -2.632 0.265 1.00 41.43 O ATOM 1229 CB TYR A 79 11.902 -5.255 -0.915 1.00 70.43 C ATOM 1230 CG TYR A 79 12.111 -6.212 -2.069 1.00 11.31 C ATOM 1231 CD1 TYR A 79 13.102 -5.971 -3.033 1.00 54.43 C ATOM 1232 CD2 TYR A 79 11.237 -7.296 -2.241 1.00 55.03 C ATOM 1233 CE1 TYR A 79 13.210 -6.781 -4.163 1.00 22.04 C ATOM 1234 CE2 TYR A 79 11.338 -8.126 -3.370 1.00 2.14 C ATOM 1235 CZ TYR A 79 12.346 -7.889 -4.326 1.00 3.34 C ATOM 1236 OH TYR A 79 12.427 -8.723 -5.394 1.00 11.32 O ATOM 0 H TYR A 79 13.869 -5.813 0.859 1.00 10.52 H new ATOM 0 HA TYR A 79 13.510 -3.900 -1.378 1.00 12.42 H new ATOM 0 HB2 TYR A 79 11.580 -5.832 -0.048 1.00 70.43 H new ATOM 0 HB3 TYR A 79 11.083 -4.584 -1.173 1.00 70.43 H new ATOM 0 HD1 TYR A 79 13.789 -5.149 -2.898 1.00 54.43 H new ATOM 0 HD2 TYR A 79 10.479 -7.494 -1.498 1.00 55.03 H new ATOM 0 HE1 TYR A 79 13.954 -6.562 -4.914 1.00 22.04 H new ATOM 0 HE2 TYR A 79 10.645 -8.943 -3.505 1.00 2.14 H new ATOM 0 HH TYR A 79 11.744 -9.422 -5.316 1.00 11.32 H new ATOM 1246 N LYS A 80 13.422 -3.131 1.570 1.00 65.30 N ATOM 1247 CA LYS A 80 13.071 -2.188 2.633 1.00 54.21 C ATOM 1248 C LYS A 80 12.940 -0.758 2.106 1.00 65.52 C ATOM 1249 O LYS A 80 11.964 -0.079 2.423 1.00 51.55 O ATOM 1250 CB LYS A 80 14.105 -2.222 3.774 1.00 74.52 C ATOM 1251 CG LYS A 80 14.289 -3.585 4.458 1.00 12.02 C ATOM 1252 CD LYS A 80 12.991 -4.183 5.007 1.00 72.14 C ATOM 1253 CE LYS A 80 13.207 -5.364 5.962 1.00 74.21 C ATOM 1254 NZ LYS A 80 13.798 -4.967 7.262 1.00 23.52 N ATOM 0 H LYS A 80 14.286 -3.644 1.746 1.00 65.30 H new ATOM 0 HA LYS A 80 12.102 -2.503 3.020 1.00 54.21 H new ATOM 0 HB2 LYS A 80 15.068 -1.901 3.378 1.00 74.52 H new ATOM 0 HB3 LYS A 80 13.811 -1.493 4.529 1.00 74.52 H new ATOM 0 HG2 LYS A 80 14.726 -4.283 3.744 1.00 12.02 H new ATOM 0 HG3 LYS A 80 15.002 -3.477 5.275 1.00 12.02 H new ATOM 0 HD2 LYS A 80 12.435 -3.404 5.528 1.00 72.14 H new ATOM 0 HD3 LYS A 80 12.372 -4.512 4.172 1.00 72.14 H new ATOM 0 HE2 LYS A 80 12.251 -5.857 6.141 1.00 74.21 H new ATOM 0 HE3 LYS A 80 13.858 -6.095 5.483 1.00 74.21 H new ATOM 0 HZ1 LYS A 80 13.840 -5.794 7.891 1.00 23.52 H new ATOM 0 HZ2 LYS A 80 14.759 -4.599 7.109 1.00 23.52 H new ATOM 0 HZ3 LYS A 80 13.211 -4.229 7.699 1.00 23.52 H new ATOM 1268 N GLN A 81 13.927 -0.287 1.342 1.00 12.03 N ATOM 1269 CA GLN A 81 14.158 1.132 1.085 1.00 15.22 C ATOM 1270 C GLN A 81 13.820 1.522 -0.352 1.00 73.05 C ATOM 1271 O GLN A 81 14.377 2.488 -0.860 1.00 22.22 O ATOM 1272 CB GLN A 81 15.623 1.493 1.388 1.00 13.34 C ATOM 1273 CG GLN A 81 16.040 1.278 2.840 1.00 33.23 C ATOM 1274 CD GLN A 81 17.249 2.167 3.131 1.00 1.32 C ATOM 1275 OE1 GLN A 81 17.091 3.293 3.594 1.00 12.44 O ATOM 1276 NE2 GLN A 81 18.461 1.738 2.815 1.00 11.03 N ATOM 0 H GLN A 81 14.601 -0.895 0.876 1.00 12.03 H new ATOM 0 HA GLN A 81 13.494 1.691 1.744 1.00 15.22 H new ATOM 0 HB2 GLN A 81 16.271 0.898 0.745 1.00 13.34 H new ATOM 0 HB3 GLN A 81 15.788 2.538 1.127 1.00 13.34 H new ATOM 0 HG2 GLN A 81 15.217 1.525 3.511 1.00 33.23 H new ATOM 0 HG3 GLN A 81 16.289 0.231 3.012 1.00 33.23 H new ATOM 0 HE21 GLN A 81 18.586 0.802 2.431 1.00 11.03 H new ATOM 0 HE22 GLN A 81 19.269 2.344 2.956 1.00 11.03 H new ATOM 1285 N LEU A 82 12.962 0.787 -1.053 1.00 2.11 N ATOM 1286 CA LEU A 82 12.708 0.998 -2.479 1.00 60.23 C ATOM 1287 C LEU A 82 12.093 2.378 -2.764 1.00 33.01 C ATOM 1288 O LEU A 82 12.321 2.945 -3.830 1.00 71.22 O ATOM 1289 CB LEU A 82 11.822 -0.126 -3.015 1.00 73.20 C ATOM 1290 CG LEU A 82 12.401 -1.543 -2.869 1.00 43.05 C ATOM 1291 CD1 LEU A 82 11.359 -2.574 -3.302 1.00 74.51 C ATOM 1292 CD2 LEU A 82 13.685 -1.787 -3.656 1.00 21.34 C ATOM 0 H LEU A 82 12.419 0.024 -0.648 1.00 2.11 H new ATOM 0 HA LEU A 82 13.666 0.977 -2.999 1.00 60.23 H new ATOM 0 HB2 LEU A 82 10.863 -0.088 -2.499 1.00 73.20 H new ATOM 0 HB3 LEU A 82 11.624 0.061 -4.070 1.00 73.20 H new ATOM 0 HG LEU A 82 12.657 -1.646 -1.814 1.00 43.05 H new ATOM 0 HD11 LEU A 82 11.774 -3.577 -3.197 1.00 74.51 H new ATOM 0 HD12 LEU A 82 10.472 -2.480 -2.675 1.00 74.51 H new ATOM 0 HD13 LEU A 82 11.087 -2.401 -4.343 1.00 74.51 H new ATOM 0 HD21 LEU A 82 14.022 -2.811 -3.494 1.00 21.34 H new ATOM 0 HD22 LEU A 82 13.496 -1.630 -4.718 1.00 21.34 H new ATOM 0 HD23 LEU A 82 14.456 -1.094 -3.319 1.00 21.34 H new ATOM 1304 N LEU A 83 11.413 2.983 -1.782 1.00 25.52 N ATOM 1305 CA LEU A 83 11.012 4.393 -1.788 1.00 23.24 C ATOM 1306 C LEU A 83 12.200 5.356 -1.934 1.00 24.14 C ATOM 1307 O LEU A 83 12.000 6.544 -2.178 1.00 31.41 O ATOM 1308 CB LEU A 83 10.251 4.725 -0.489 1.00 14.44 C ATOM 1309 CG LEU A 83 8.730 4.505 -0.558 1.00 52.31 C ATOM 1310 CD1 LEU A 83 8.121 4.782 0.820 1.00 4.55 C ATOM 1311 CD2 LEU A 83 8.057 5.446 -1.564 1.00 32.32 C ATOM 0 H LEU A 83 11.119 2.490 -0.939 1.00 25.52 H new ATOM 0 HA LEU A 83 10.371 4.532 -2.659 1.00 23.24 H new ATOM 0 HB2 LEU A 83 10.656 4.115 0.319 1.00 14.44 H new ATOM 0 HB3 LEU A 83 10.442 5.766 -0.229 1.00 14.44 H new ATOM 0 HG LEU A 83 8.563 3.475 -0.875 1.00 52.31 H new ATOM 0 HD11 LEU A 83 7.043 4.628 0.779 1.00 4.55 H new ATOM 0 HD12 LEU A 83 8.557 4.103 1.553 1.00 4.55 H new ATOM 0 HD13 LEU A 83 8.330 5.812 1.110 1.00 4.55 H new ATOM 0 HD21 LEU A 83 6.984 5.255 -1.579 1.00 32.32 H new ATOM 0 HD22 LEU A 83 8.237 6.480 -1.272 1.00 32.32 H new ATOM 0 HD23 LEU A 83 8.470 5.272 -2.557 1.00 32.32 H new ATOM 1323 N LYS A 84 13.437 4.889 -1.795 1.00 22.02 N ATOM 1324 CA LYS A 84 14.662 5.605 -2.108 1.00 63.14 C ATOM 1325 C LYS A 84 15.376 4.906 -3.264 1.00 54.34 C ATOM 1326 O LYS A 84 15.802 5.592 -4.188 1.00 3.40 O ATOM 1327 CB LYS A 84 15.512 5.781 -0.838 1.00 20.51 C ATOM 1328 CG LYS A 84 16.995 6.044 -1.135 1.00 72.42 C ATOM 1329 CD LYS A 84 17.688 6.797 0.002 1.00 41.45 C ATOM 1330 CE LYS A 84 19.129 7.141 -0.395 1.00 11.23 C ATOM 1331 NZ LYS A 84 19.755 8.078 0.558 1.00 41.52 N ATOM 0 H LYS A 84 13.618 3.949 -1.441 1.00 22.02 H new ATOM 0 HA LYS A 84 14.448 6.617 -2.452 1.00 63.14 H new ATOM 0 HB2 LYS A 84 15.113 6.610 -0.253 1.00 20.51 H new ATOM 0 HB3 LYS A 84 15.424 4.885 -0.223 1.00 20.51 H new ATOM 0 HG2 LYS A 84 17.504 5.095 -1.303 1.00 72.42 H new ATOM 0 HG3 LYS A 84 17.083 6.620 -2.056 1.00 72.42 H new ATOM 0 HD2 LYS A 84 17.138 7.710 0.232 1.00 41.45 H new ATOM 0 HD3 LYS A 84 17.687 6.188 0.906 1.00 41.45 H new ATOM 0 HE2 LYS A 84 19.720 6.226 -0.445 1.00 11.23 H new ATOM 0 HE3 LYS A 84 19.135 7.580 -1.393 1.00 11.23 H new ATOM 0 HZ1 LYS A 84 20.728 8.285 0.253 1.00 41.52 H new ATOM 0 HZ2 LYS A 84 19.206 8.961 0.588 1.00 41.52 H new ATOM 0 HZ3 LYS A 84 19.773 7.649 1.505 1.00 41.52 H new ATOM 1345 N GLU A 85 15.489 3.579 -3.238 1.00 72.14 N ATOM 1346 CA GLU A 85 16.281 2.853 -4.224 1.00 32.13 C ATOM 1347 C GLU A 85 15.693 2.879 -5.640 1.00 52.21 C ATOM 1348 O GLU A 85 16.415 2.516 -6.562 1.00 61.42 O ATOM 1349 CB GLU A 85 16.508 1.392 -3.815 1.00 24.23 C ATOM 1350 CG GLU A 85 17.064 1.164 -2.405 1.00 20.33 C ATOM 1351 CD GLU A 85 17.874 -0.131 -2.358 1.00 0.11 C ATOM 1352 OE1 GLU A 85 19.087 -0.077 -2.665 1.00 70.53 O ATOM 1353 OE2 GLU A 85 17.307 -1.208 -2.063 1.00 72.31 O ATOM 0 H GLU A 85 15.040 2.985 -2.541 1.00 72.14 H new ATOM 0 HA GLU A 85 17.231 3.387 -4.248 1.00 32.13 H new ATOM 0 HB2 GLU A 85 15.560 0.861 -3.900 1.00 24.23 H new ATOM 0 HB3 GLU A 85 17.193 0.938 -4.531 1.00 24.23 H new ATOM 0 HG2 GLU A 85 17.693 2.005 -2.114 1.00 20.33 H new ATOM 0 HG3 GLU A 85 16.245 1.115 -1.687 1.00 20.33 H new ATOM 1360 N GLU A 86 14.430 3.276 -5.848 1.00 5.50 N ATOM 1361 CA GLU A 86 13.865 3.426 -7.179 1.00 54.31 C ATOM 1362 C GLU A 86 13.532 4.918 -7.293 1.00 12.42 C ATOM 1363 O GLU A 86 14.052 5.640 -8.141 1.00 62.42 O ATOM 1364 CB GLU A 86 12.627 2.518 -7.308 1.00 53.52 C ATOM 1365 CG GLU A 86 12.838 1.039 -6.944 1.00 61.22 C ATOM 1366 CD GLU A 86 13.296 0.140 -8.098 1.00 34.43 C ATOM 1367 OE1 GLU A 86 14.511 0.132 -8.389 1.00 2.31 O ATOM 1368 OE2 GLU A 86 12.476 -0.696 -8.557 1.00 23.44 O ATOM 0 H GLU A 86 13.780 3.500 -5.095 1.00 5.50 H new ATOM 0 HA GLU A 86 14.537 3.128 -7.984 1.00 54.31 H new ATOM 0 HB2 GLU A 86 11.838 2.920 -6.672 1.00 53.52 H new ATOM 0 HB3 GLU A 86 12.267 2.571 -8.335 1.00 53.52 H new ATOM 0 HG2 GLU A 86 13.576 0.980 -6.144 1.00 61.22 H new ATOM 0 HG3 GLU A 86 11.904 0.643 -6.545 1.00 61.22 H new ATOM 1375 N LEU A 87 12.710 5.398 -6.350 1.00 45.22 N ATOM 1376 CA LEU A 87 12.167 6.746 -6.340 1.00 70.44 C ATOM 1377 C LEU A 87 13.197 7.786 -5.931 1.00 73.10 C ATOM 1378 O LEU A 87 13.495 8.692 -6.706 1.00 42.24 O ATOM 1379 CB LEU A 87 10.936 6.809 -5.416 1.00 51.21 C ATOM 1380 CG LEU A 87 9.687 6.343 -6.165 1.00 55.21 C ATOM 1381 CD1 LEU A 87 9.536 4.842 -6.228 1.00 43.41 C ATOM 1382 CD2 LEU A 87 8.404 6.922 -5.558 1.00 42.43 C ATOM 0 H LEU A 87 12.401 4.837 -5.556 1.00 45.22 H new ATOM 0 HA LEU A 87 11.868 6.986 -7.361 1.00 70.44 H new ATOM 0 HB2 LEU A 87 11.098 6.182 -4.539 1.00 51.21 H new ATOM 0 HB3 LEU A 87 10.794 7.828 -5.057 1.00 51.21 H new ATOM 0 HG LEU A 87 9.831 6.717 -7.179 1.00 55.21 H new ATOM 0 HD11 LEU A 87 8.627 4.590 -6.775 1.00 43.41 H new ATOM 0 HD12 LEU A 87 10.397 4.411 -6.738 1.00 43.41 H new ATOM 0 HD13 LEU A 87 9.474 4.440 -5.217 1.00 43.41 H new ATOM 0 HD21 LEU A 87 7.542 6.565 -6.121 1.00 42.43 H new ATOM 0 HD22 LEU A 87 8.317 6.603 -4.519 1.00 42.43 H new ATOM 0 HD23 LEU A 87 8.440 8.011 -5.601 1.00 42.43 H new ATOM 1394 N GLY A 88 13.659 7.711 -4.684 1.00 2.23 N ATOM 1395 CA GLY A 88 14.579 8.679 -4.104 1.00 23.23 C ATOM 1396 C GLY A 88 13.937 9.570 -3.039 1.00 72.23 C ATOM 1397 O GLY A 88 14.471 10.649 -2.780 1.00 32.32 O ATOM 0 H GLY A 88 13.399 6.963 -4.041 1.00 2.23 H new ATOM 0 HA2 GLY A 88 15.422 8.148 -3.662 1.00 23.23 H new ATOM 0 HA3 GLY A 88 14.980 9.308 -4.899 1.00 23.23 H new ATOM 1401 N PHE A 89 12.801 9.185 -2.443 1.00 43.55 N ATOM 1402 CA PHE A 89 12.079 9.989 -1.450 1.00 24.41 C ATOM 1403 C PHE A 89 12.539 9.778 -0.007 1.00 2.13 C ATOM 1404 O PHE A 89 12.475 10.696 0.806 1.00 3.35 O ATOM 1405 CB PHE A 89 10.575 9.678 -1.590 1.00 10.20 C ATOM 1406 CG PHE A 89 9.737 9.917 -0.350 1.00 41.42 C ATOM 1407 CD1 PHE A 89 9.306 11.213 -0.012 1.00 32.23 C ATOM 1408 CD2 PHE A 89 9.432 8.835 0.495 1.00 52.44 C ATOM 1409 CE1 PHE A 89 8.594 11.426 1.181 1.00 20.02 C ATOM 1410 CE2 PHE A 89 8.710 9.045 1.677 1.00 32.32 C ATOM 1411 CZ PHE A 89 8.299 10.342 2.026 1.00 51.20 C ATOM 0 H PHE A 89 12.351 8.291 -2.641 1.00 43.55 H new ATOM 0 HA PHE A 89 12.294 11.037 -1.658 1.00 24.41 H new ATOM 0 HB2 PHE A 89 10.171 10.284 -2.401 1.00 10.20 H new ATOM 0 HB3 PHE A 89 10.464 8.635 -1.886 1.00 10.20 H new ATOM 0 HD1 PHE A 89 9.522 12.043 -0.668 1.00 32.23 H new ATOM 0 HD2 PHE A 89 9.755 7.839 0.232 1.00 52.44 H new ATOM 0 HE1 PHE A 89 8.274 12.422 1.448 1.00 20.02 H new ATOM 0 HE2 PHE A 89 8.470 8.211 2.319 1.00 32.32 H new ATOM 0 HZ PHE A 89 7.756 10.507 2.945 1.00 51.20 H new ATOM 1567 N ARG A 100 -0.854 11.935 8.755 1.00 1.14 N ATOM 1568 CA ARG A 100 -1.505 11.676 7.461 1.00 71.33 C ATOM 1569 C ARG A 100 -0.456 11.363 6.388 1.00 25.14 C ATOM 1570 O ARG A 100 -0.713 10.590 5.468 1.00 40.32 O ATOM 1571 CB ARG A 100 -2.467 12.811 7.058 1.00 45.24 C ATOM 1572 CG ARG A 100 -3.736 12.788 7.932 1.00 73.44 C ATOM 1573 CD ARG A 100 -4.793 13.827 7.525 1.00 31.11 C ATOM 1574 NE ARG A 100 -6.087 13.563 8.197 1.00 24.32 N ATOM 1575 CZ ARG A 100 -7.315 13.544 7.653 1.00 31.43 C ATOM 1576 NH1 ARG A 100 -7.494 13.847 6.373 1.00 23.45 N ATOM 1577 NH2 ARG A 100 -8.360 13.260 8.420 1.00 73.23 N ATOM 0 HA ARG A 100 -2.133 10.791 7.564 1.00 71.33 H new ATOM 0 HB2 ARG A 100 -1.966 13.773 7.162 1.00 45.24 H new ATOM 0 HB3 ARG A 100 -2.741 12.706 6.008 1.00 45.24 H new ATOM 0 HG2 ARG A 100 -4.181 11.794 7.883 1.00 73.44 H new ATOM 0 HG3 ARG A 100 -3.453 12.960 8.970 1.00 73.44 H new ATOM 0 HD2 ARG A 100 -4.443 14.827 7.783 1.00 31.11 H new ATOM 0 HD3 ARG A 100 -4.930 13.806 6.444 1.00 31.11 H new ATOM 0 HE ARG A 100 -6.039 13.372 9.198 1.00 24.32 H new ATOM 0 HH11 ARG A 100 -6.694 14.098 5.792 1.00 23.45 H new ATOM 0 HH12 ARG A 100 -8.431 13.829 5.971 1.00 23.45 H new ATOM 0 HH21 ARG A 100 -8.226 13.059 9.411 1.00 73.23 H new ATOM 0 HH22 ARG A 100 -9.298 13.242 8.019 1.00 73.23 H new ATOM 1591 N LYS A 101 0.757 11.902 6.518 1.00 2.01 N ATOM 1592 CA LYS A 101 1.833 11.698 5.562 1.00 35.14 C ATOM 1593 C LYS A 101 2.498 10.357 5.789 1.00 23.11 C ATOM 1594 O LYS A 101 2.631 9.597 4.828 1.00 2.03 O ATOM 1595 CB LYS A 101 2.852 12.835 5.671 1.00 24.21 C ATOM 1596 CG LYS A 101 2.393 14.036 4.838 1.00 60.41 C ATOM 1597 CD LYS A 101 3.433 15.160 4.860 1.00 72.23 C ATOM 1598 CE LYS A 101 3.447 15.961 3.560 1.00 15.51 C ATOM 1599 NZ LYS A 101 2.209 16.728 3.329 1.00 75.11 N ATOM 0 H LYS A 101 1.018 12.500 7.302 1.00 2.01 H new ATOM 0 HA LYS A 101 1.415 11.701 4.555 1.00 35.14 H new ATOM 0 HB2 LYS A 101 2.969 13.130 6.714 1.00 24.21 H new ATOM 0 HB3 LYS A 101 3.827 12.494 5.324 1.00 24.21 H new ATOM 0 HG2 LYS A 101 2.216 13.721 3.809 1.00 60.41 H new ATOM 0 HG3 LYS A 101 1.444 14.408 5.225 1.00 60.41 H new ATOM 0 HD2 LYS A 101 3.224 15.829 5.695 1.00 72.23 H new ATOM 0 HD3 LYS A 101 4.421 14.734 5.033 1.00 72.23 H new ATOM 0 HE2 LYS A 101 4.293 16.648 3.575 1.00 15.51 H new ATOM 0 HE3 LYS A 101 3.604 15.279 2.724 1.00 15.51 H new ATOM 0 HZ1 LYS A 101 2.285 17.248 2.431 1.00 75.11 H new ATOM 0 HZ2 LYS A 101 1.400 16.076 3.284 1.00 75.11 H new ATOM 0 HZ3 LYS A 101 2.068 17.402 4.108 1.00 75.11 H new ATOM 1613 N THR A 102 2.920 10.068 7.023 1.00 14.32 N ATOM 1614 CA THR A 102 3.649 8.846 7.351 1.00 64.45 C ATOM 1615 C THR A 102 2.889 7.637 6.813 1.00 22.33 C ATOM 1616 O THR A 102 3.407 6.852 6.022 1.00 31.53 O ATOM 1617 CB THR A 102 3.877 8.763 8.870 1.00 43.31 C ATOM 1618 OG1 THR A 102 2.676 8.991 9.578 1.00 72.40 O ATOM 1619 CG2 THR A 102 4.889 9.807 9.339 1.00 41.13 C ATOM 0 H THR A 102 2.763 10.680 7.824 1.00 14.32 H new ATOM 0 HA THR A 102 4.630 8.857 6.877 1.00 64.45 H new ATOM 0 HB THR A 102 4.252 7.759 9.070 1.00 43.31 H new ATOM 0 HG1 THR A 102 2.848 8.931 10.541 1.00 72.40 H new ATOM 0 HG21 THR A 102 5.027 9.721 10.417 1.00 41.13 H new ATOM 0 HG22 THR A 102 5.842 9.641 8.837 1.00 41.13 H new ATOM 0 HG23 THR A 102 4.521 10.804 9.099 1.00 41.13 H new ATOM 1627 N ARG A 103 1.606 7.556 7.164 1.00 10.45 N ATOM 1628 CA ARG A 103 0.715 6.473 6.786 1.00 73.44 C ATOM 1629 C ARG A 103 0.628 6.306 5.267 1.00 50.24 C ATOM 1630 O ARG A 103 0.749 5.168 4.816 1.00 34.11 O ATOM 1631 CB ARG A 103 -0.638 6.688 7.480 1.00 20.35 C ATOM 1632 CG ARG A 103 -0.477 6.531 9.006 1.00 35.11 C ATOM 1633 CD ARG A 103 -1.720 6.933 9.808 1.00 4.04 C ATOM 1634 NE ARG A 103 -2.278 5.773 10.518 1.00 23.41 N ATOM 1635 CZ ARG A 103 -2.875 5.776 11.714 1.00 4.35 C ATOM 1636 NH1 ARG A 103 -3.049 6.899 12.398 1.00 74.53 N ATOM 1637 NH2 ARG A 103 -3.267 4.626 12.243 1.00 24.40 N ATOM 0 H ARG A 103 1.150 8.266 7.736 1.00 10.45 H new ATOM 0 HA ARG A 103 1.114 5.519 7.130 1.00 73.44 H new ATOM 0 HB2 ARG A 103 -1.022 7.681 7.247 1.00 20.35 H new ATOM 0 HB3 ARG A 103 -1.366 5.968 7.107 1.00 20.35 H new ATOM 0 HG2 ARG A 103 -0.232 5.493 9.230 1.00 35.11 H new ATOM 0 HG3 ARG A 103 0.367 7.136 9.336 1.00 35.11 H new ATOM 0 HD2 ARG A 103 -1.461 7.713 10.524 1.00 4.04 H new ATOM 0 HD3 ARG A 103 -2.471 7.352 9.138 1.00 4.04 H new ATOM 0 HE ARG A 103 -2.202 4.871 10.049 1.00 23.41 H new ATOM 0 HH11 ARG A 103 -2.724 7.786 12.013 1.00 74.53 H new ATOM 0 HH12 ARG A 103 -3.508 6.876 13.309 1.00 74.53 H new ATOM 0 HH21 ARG A 103 -3.112 3.753 11.738 1.00 24.40 H new ATOM 0 HH22 ARG A 103 -3.724 4.614 13.155 1.00 24.40 H new ATOM 1651 N ARG A 104 0.526 7.395 4.479 1.00 1.14 N ATOM 1652 CA ARG A 104 0.612 7.310 3.012 1.00 1.23 C ATOM 1653 C ARG A 104 1.897 6.592 2.587 1.00 70.24 C ATOM 1654 O ARG A 104 1.841 5.671 1.774 1.00 5.41 O ATOM 1655 CB ARG A 104 0.484 8.681 2.296 1.00 33.04 C ATOM 1656 CG ARG A 104 -0.959 9.211 2.156 1.00 31.42 C ATOM 1657 CD ARG A 104 -1.193 10.111 0.921 1.00 52.12 C ATOM 1658 NE ARG A 104 -0.387 11.350 0.907 1.00 42.55 N ATOM 1659 CZ ARG A 104 -0.574 12.413 0.102 1.00 13.03 C ATOM 1660 NH1 ARG A 104 -1.509 12.418 -0.840 1.00 73.11 N ATOM 1661 NH2 ARG A 104 0.186 13.488 0.256 1.00 10.41 N ATOM 0 H ARG A 104 0.384 8.340 4.835 1.00 1.14 H new ATOM 0 HA ARG A 104 -0.251 6.726 2.693 1.00 1.23 H new ATOM 0 HB2 ARG A 104 1.074 9.416 2.843 1.00 33.04 H new ATOM 0 HB3 ARG A 104 0.922 8.597 1.302 1.00 33.04 H new ATOM 0 HG2 ARG A 104 -1.641 8.362 2.106 1.00 31.42 H new ATOM 0 HG3 ARG A 104 -1.215 9.774 3.054 1.00 31.42 H new ATOM 0 HD2 ARG A 104 -0.971 9.537 0.021 1.00 52.12 H new ATOM 0 HD3 ARG A 104 -2.249 10.378 0.876 1.00 52.12 H new ATOM 0 HE ARG A 104 0.385 11.405 1.571 1.00 42.55 H new ATOM 0 HH11 ARG A 104 -2.108 11.603 -0.968 1.00 73.11 H new ATOM 0 HH12 ARG A 104 -1.628 13.237 -1.436 1.00 73.11 H new ATOM 0 HH21 ARG A 104 0.905 13.505 0.979 1.00 10.41 H new ATOM 0 HH22 ARG A 104 0.052 14.298 -0.349 1.00 10.41 H new ATOM 1675 N ALA A 105 3.061 6.973 3.124 1.00 61.35 N ATOM 1676 CA ALA A 105 4.304 6.329 2.705 1.00 33.13 C ATOM 1677 C ALA A 105 4.360 4.859 3.125 1.00 0.21 C ATOM 1678 O ALA A 105 4.948 4.070 2.387 1.00 42.14 O ATOM 1679 CB ALA A 105 5.537 7.075 3.212 1.00 62.42 C ATOM 0 H ALA A 105 3.166 7.703 3.829 1.00 61.35 H new ATOM 0 HA ALA A 105 4.312 6.368 1.616 1.00 33.13 H new ATOM 0 HB1 ALA A 105 6.437 6.560 2.876 1.00 62.42 H new ATOM 0 HB2 ALA A 105 5.533 8.092 2.820 1.00 62.42 H new ATOM 0 HB3 ALA A 105 5.521 7.106 4.301 1.00 62.42 H new ATOM 1685 N THR A 106 3.764 4.472 4.260 1.00 40.54 N ATOM 1686 CA THR A 106 3.825 3.097 4.743 1.00 34.30 C ATOM 1687 C THR A 106 3.275 2.125 3.696 1.00 73.14 C ATOM 1688 O THR A 106 3.899 1.092 3.437 1.00 71.15 O ATOM 1689 CB THR A 106 3.055 2.944 6.067 1.00 1.50 C ATOM 1690 OG1 THR A 106 3.336 3.976 6.996 1.00 32.14 O ATOM 1691 CG2 THR A 106 3.374 1.611 6.749 1.00 61.22 C ATOM 0 H THR A 106 3.232 5.101 4.861 1.00 40.54 H new ATOM 0 HA THR A 106 4.872 2.855 4.923 1.00 34.30 H new ATOM 0 HB THR A 106 2.003 2.994 5.787 1.00 1.50 H new ATOM 0 HG1 THR A 106 2.819 3.828 7.815 1.00 32.14 H new ATOM 0 HG21 THR A 106 2.814 1.536 7.681 1.00 61.22 H new ATOM 0 HG22 THR A 106 3.094 0.789 6.090 1.00 61.22 H new ATOM 0 HG23 THR A 106 4.442 1.558 6.962 1.00 61.22 H new ATOM 1699 N MET A 107 2.112 2.429 3.110 1.00 72.12 N ATOM 1700 CA MET A 107 1.520 1.544 2.117 1.00 21.33 C ATOM 1701 C MET A 107 2.312 1.581 0.807 1.00 41.05 C ATOM 1702 O MET A 107 2.575 0.532 0.220 1.00 75.31 O ATOM 1703 CB MET A 107 0.027 1.819 1.958 1.00 44.23 C ATOM 1704 CG MET A 107 -0.320 3.191 1.372 1.00 41.24 C ATOM 1705 SD MET A 107 -1.316 4.253 2.447 1.00 43.12 S ATOM 1706 CE MET A 107 -2.947 3.558 2.129 1.00 11.53 C ATOM 0 H MET A 107 1.572 3.272 3.307 1.00 72.12 H new ATOM 0 HA MET A 107 1.589 0.515 2.469 1.00 21.33 H new ATOM 0 HB2 MET A 107 -0.403 1.048 1.318 1.00 44.23 H new ATOM 0 HB3 MET A 107 -0.450 1.726 2.934 1.00 44.23 H new ATOM 0 HG2 MET A 107 0.607 3.711 1.131 1.00 41.24 H new ATOM 0 HG3 MET A 107 -0.856 3.044 0.434 1.00 41.24 H new ATOM 0 HE1 MET A 107 -3.613 3.799 2.958 1.00 11.53 H new ATOM 0 HE2 MET A 107 -3.348 3.978 1.207 1.00 11.53 H new ATOM 0 HE3 MET A 107 -2.868 2.475 2.030 1.00 11.53 H new ATOM 1716 N THR A 108 2.779 2.757 0.383 1.00 10.41 N ATOM 1717 CA THR A 108 3.583 2.913 -0.821 1.00 52.53 C ATOM 1718 C THR A 108 4.870 2.087 -0.718 1.00 0.43 C ATOM 1719 O THR A 108 5.262 1.451 -1.690 1.00 54.21 O ATOM 1720 CB THR A 108 3.804 4.417 -1.078 1.00 15.11 C ATOM 1721 OG1 THR A 108 2.559 5.080 -0.986 1.00 34.31 O ATOM 1722 CG2 THR A 108 4.344 4.708 -2.479 1.00 60.42 C ATOM 0 H THR A 108 2.605 3.634 0.874 1.00 10.41 H new ATOM 0 HA THR A 108 3.065 2.517 -1.695 1.00 52.53 H new ATOM 0 HB THR A 108 4.529 4.759 -0.339 1.00 15.11 H new ATOM 0 HG1 THR A 108 2.390 5.330 -0.054 1.00 34.31 H new ATOM 0 HG21 THR A 108 4.479 5.783 -2.601 1.00 60.42 H new ATOM 0 HG22 THR A 108 5.302 4.204 -2.612 1.00 60.42 H new ATOM 0 HG23 THR A 108 3.637 4.344 -3.224 1.00 60.42 H new ATOM 1730 N ASN A 109 5.480 1.992 0.470 1.00 42.25 N ATOM 1731 CA ASN A 109 6.677 1.186 0.721 1.00 71.25 C ATOM 1732 C ASN A 109 6.468 -0.266 0.287 1.00 71.32 C ATOM 1733 O ASN A 109 7.370 -0.866 -0.301 1.00 33.04 O ATOM 1734 CB ASN A 109 7.026 1.266 2.226 1.00 42.31 C ATOM 1735 CG ASN A 109 8.486 1.018 2.593 1.00 51.00 C ATOM 1736 OD1 ASN A 109 9.182 1.934 3.019 1.00 32.33 O ATOM 1737 ND2 ASN A 109 9.017 -0.186 2.479 1.00 10.42 N ATOM 0 H ASN A 109 5.147 2.484 1.299 1.00 42.25 H new ATOM 0 HA ASN A 109 7.505 1.581 0.132 1.00 71.25 H new ATOM 0 HB2 ASN A 109 6.744 2.254 2.591 1.00 42.31 H new ATOM 0 HB3 ASN A 109 6.411 0.541 2.759 1.00 42.31 H new ATOM 0 HD21 ASN A 109 9.990 -0.341 2.743 1.00 10.42 H new ATOM 0 HD22 ASN A 109 8.454 -0.960 2.127 1.00 10.42 H new ATOM 1744 N TRP A 110 5.287 -0.828 0.565 1.00 21.34 N ATOM 1745 CA TRP A 110 4.923 -2.175 0.150 1.00 72.40 C ATOM 1746 C TRP A 110 4.683 -2.254 -1.354 1.00 32.51 C ATOM 1747 O TRP A 110 5.110 -3.233 -1.956 1.00 10.41 O ATOM 1748 CB TRP A 110 3.680 -2.640 0.913 1.00 24.13 C ATOM 1749 CG TRP A 110 3.074 -3.937 0.463 1.00 21.33 C ATOM 1750 CD1 TRP A 110 3.470 -5.178 0.833 1.00 1.31 C ATOM 1751 CD2 TRP A 110 1.935 -4.133 -0.431 1.00 4.41 C ATOM 1752 NE1 TRP A 110 2.661 -6.120 0.226 1.00 63.02 N ATOM 1753 CE2 TRP A 110 1.689 -5.532 -0.554 1.00 3.34 C ATOM 1754 CE3 TRP A 110 1.065 -3.264 -1.126 1.00 14.50 C ATOM 1755 CZ2 TRP A 110 0.631 -6.043 -1.321 1.00 0.12 C ATOM 1756 CZ3 TRP A 110 0.004 -3.764 -1.906 1.00 34.53 C ATOM 1757 CH2 TRP A 110 -0.209 -5.149 -2.008 1.00 72.54 C ATOM 0 H TRP A 110 4.554 -0.351 1.090 1.00 21.34 H new ATOM 0 HA TRP A 110 5.757 -2.836 0.385 1.00 72.40 H new ATOM 0 HB2 TRP A 110 3.939 -2.731 1.968 1.00 24.13 H new ATOM 0 HB3 TRP A 110 2.920 -1.862 0.837 1.00 24.13 H new ATOM 0 HD1 TRP A 110 4.291 -5.398 1.499 1.00 1.31 H new ATOM 0 HE1 TRP A 110 2.770 -7.128 0.341 1.00 63.02 H new ATOM 0 HE3 TRP A 110 1.216 -2.197 -1.058 1.00 14.50 H new ATOM 0 HZ2 TRP A 110 0.464 -7.108 -1.383 1.00 0.12 H new ATOM 0 HZ3 TRP A 110 -0.649 -3.080 -2.428 1.00 34.53 H new ATOM 0 HH2 TRP A 110 -1.019 -5.527 -2.615 1.00 72.54 H new ATOM 1768 N LEU A 111 4.042 -1.256 -1.978 1.00 23.14 N ATOM 1769 CA LEU A 111 3.725 -1.312 -3.409 1.00 62.01 C ATOM 1770 C LEU A 111 4.984 -1.542 -4.249 1.00 43.31 C ATOM 1771 O LEU A 111 4.930 -2.296 -5.218 1.00 41.51 O ATOM 1772 CB LEU A 111 3.001 -0.043 -3.895 1.00 30.43 C ATOM 1773 CG LEU A 111 1.548 0.130 -3.419 1.00 34.24 C ATOM 1774 CD1 LEU A 111 1.015 1.507 -3.835 1.00 40.31 C ATOM 1775 CD2 LEU A 111 0.625 -0.937 -4.020 1.00 53.10 C ATOM 0 H LEU A 111 3.734 -0.402 -1.514 1.00 23.14 H new ATOM 0 HA LEU A 111 3.050 -2.158 -3.541 1.00 62.01 H new ATOM 0 HB2 LEU A 111 3.574 0.825 -3.570 1.00 30.43 H new ATOM 0 HB3 LEU A 111 3.008 -0.040 -4.985 1.00 30.43 H new ATOM 0 HG LEU A 111 1.554 0.030 -2.334 1.00 34.24 H new ATOM 0 HD11 LEU A 111 -0.014 1.618 -3.493 1.00 40.31 H new ATOM 0 HD12 LEU A 111 1.632 2.286 -3.388 1.00 40.31 H new ATOM 0 HD13 LEU A 111 1.048 1.597 -4.921 1.00 40.31 H new ATOM 0 HD21 LEU A 111 -0.392 -0.782 -3.661 1.00 53.10 H new ATOM 0 HD22 LEU A 111 0.641 -0.862 -5.107 1.00 53.10 H new ATOM 0 HD23 LEU A 111 0.969 -1.927 -3.720 1.00 53.10 H new ATOM 1787 N LEU A 112 6.125 -0.963 -3.854 1.00 33.51 N ATOM 1788 CA LEU A 112 7.412 -1.271 -4.461 1.00 21.23 C ATOM 1789 C LEU A 112 7.724 -2.768 -4.331 1.00 15.03 C ATOM 1790 O LEU A 112 7.896 -3.457 -5.332 1.00 12.14 O ATOM 1791 CB LEU A 112 8.531 -0.444 -3.808 1.00 51.31 C ATOM 1792 CG LEU A 112 8.669 1.050 -4.150 1.00 31.40 C ATOM 1793 CD1 LEU A 112 8.729 1.305 -5.650 1.00 61.53 C ATOM 1794 CD2 LEU A 112 7.649 1.929 -3.448 1.00 22.32 C ATOM 0 H LEU A 112 6.175 -0.271 -3.106 1.00 33.51 H new ATOM 0 HA LEU A 112 7.358 -1.013 -5.519 1.00 21.23 H new ATOM 0 HB2 LEU A 112 8.406 -0.521 -2.728 1.00 51.31 H new ATOM 0 HB3 LEU A 112 9.478 -0.924 -4.055 1.00 51.31 H new ATOM 0 HG LEU A 112 9.636 1.351 -3.747 1.00 31.40 H new ATOM 0 HD11 LEU A 112 8.826 2.375 -5.834 1.00 61.53 H new ATOM 0 HD12 LEU A 112 9.588 0.785 -6.073 1.00 61.53 H new ATOM 0 HD13 LEU A 112 7.816 0.938 -6.118 1.00 61.53 H new ATOM 0 HD21 LEU A 112 7.805 2.969 -3.736 1.00 22.32 H new ATOM 0 HD22 LEU A 112 6.644 1.620 -3.735 1.00 22.32 H new ATOM 0 HD23 LEU A 112 7.765 1.830 -2.369 1.00 22.32 H new ATOM 1806 N ALA A 113 7.800 -3.291 -3.101 1.00 44.12 N ATOM 1807 CA ALA A 113 8.145 -4.697 -2.860 1.00 33.44 C ATOM 1808 C ALA A 113 7.191 -5.666 -3.579 1.00 41.31 C ATOM 1809 O ALA A 113 7.592 -6.776 -3.962 1.00 40.02 O ATOM 1810 CB ALA A 113 8.140 -4.976 -1.354 1.00 2.01 C ATOM 0 H ALA A 113 7.625 -2.756 -2.250 1.00 44.12 H new ATOM 0 HA ALA A 113 9.141 -4.866 -3.268 1.00 33.44 H new ATOM 0 HB1 ALA A 113 8.396 -6.020 -1.177 1.00 2.01 H new ATOM 0 HB2 ALA A 113 8.871 -4.334 -0.863 1.00 2.01 H new ATOM 0 HB3 ALA A 113 7.149 -4.772 -0.949 1.00 2.01 H new ATOM 1816 N TYR A 114 5.942 -5.237 -3.763 1.00 12.51 N ATOM 1817 CA TYR A 114 4.931 -5.959 -4.496 1.00 24.03 C ATOM 1818 C TYR A 114 5.342 -6.075 -5.961 1.00 41.45 C ATOM 1819 O TYR A 114 5.598 -7.193 -6.401 1.00 61.21 O ATOM 1820 CB TYR A 114 3.552 -5.321 -4.297 1.00 3.32 C ATOM 1821 CG TYR A 114 2.448 -6.153 -4.904 1.00 31.53 C ATOM 1822 CD1 TYR A 114 2.222 -7.454 -4.415 1.00 62.13 C ATOM 1823 CD2 TYR A 114 1.713 -5.675 -6.006 1.00 50.20 C ATOM 1824 CE1 TYR A 114 1.294 -8.288 -5.051 1.00 31.13 C ATOM 1825 CE2 TYR A 114 0.745 -6.495 -6.613 1.00 22.11 C ATOM 1826 CZ TYR A 114 0.552 -7.815 -6.149 1.00 22.33 C ATOM 1827 OH TYR A 114 -0.359 -8.639 -6.724 1.00 23.41 O ATOM 0 H TYR A 114 5.607 -4.349 -3.390 1.00 12.51 H new ATOM 0 HA TYR A 114 4.846 -6.974 -4.107 1.00 24.03 H new ATOM 0 HB2 TYR A 114 3.363 -5.191 -3.231 1.00 3.32 H new ATOM 0 HB3 TYR A 114 3.545 -4.327 -4.745 1.00 3.32 H new ATOM 0 HD1 TYR A 114 2.764 -7.808 -3.550 1.00 62.13 H new ATOM 0 HD2 TYR A 114 1.893 -4.680 -6.385 1.00 50.20 H new ATOM 0 HE1 TYR A 114 1.147 -9.298 -4.697 1.00 31.13 H new ATOM 0 HE2 TYR A 114 0.151 -6.116 -7.432 1.00 22.11 H new ATOM 0 HH TYR A 114 -0.795 -8.175 -7.469 1.00 23.41 H new ATOM 1837 N ARG A 115 5.511 -4.969 -6.708 1.00 14.55 N ATOM 1838 CA ARG A 115 5.871 -5.076 -8.128 1.00 24.21 C ATOM 1839 C ARG A 115 7.183 -5.822 -8.343 1.00 3.12 C ATOM 1840 O ARG A 115 7.339 -6.549 -9.328 1.00 13.13 O ATOM 1841 CB ARG A 115 5.915 -3.714 -8.837 1.00 65.52 C ATOM 1842 CG ARG A 115 6.844 -2.660 -8.217 1.00 65.51 C ATOM 1843 CD ARG A 115 7.216 -1.538 -9.198 1.00 12.42 C ATOM 1844 NE ARG A 115 8.660 -1.532 -9.475 1.00 5.54 N ATOM 1845 CZ ARG A 115 9.351 -2.040 -10.504 1.00 40.15 C ATOM 1846 NH1 ARG A 115 8.726 -2.665 -11.499 1.00 14.31 N ATOM 1847 NH2 ARG A 115 10.680 -1.935 -10.513 1.00 75.42 N ATOM 0 H ARG A 115 5.407 -4.015 -6.361 1.00 14.55 H new ATOM 0 HA ARG A 115 5.070 -5.661 -8.581 1.00 24.21 H new ATOM 0 HB2 ARG A 115 6.220 -3.875 -9.871 1.00 65.52 H new ATOM 0 HB3 ARG A 115 4.904 -3.308 -8.863 1.00 65.52 H new ATOM 0 HG2 ARG A 115 6.359 -2.225 -7.343 1.00 65.51 H new ATOM 0 HG3 ARG A 115 7.755 -3.147 -7.867 1.00 65.51 H new ATOM 0 HD2 ARG A 115 6.665 -1.668 -10.129 1.00 12.42 H new ATOM 0 HD3 ARG A 115 6.918 -0.575 -8.783 1.00 12.42 H new ATOM 0 HE ARG A 115 9.228 -1.065 -8.768 1.00 5.54 H new ATOM 0 HH11 ARG A 115 7.711 -2.761 -11.483 1.00 14.31 H new ATOM 0 HH12 ARG A 115 9.262 -3.048 -12.278 1.00 14.31 H new ATOM 0 HH21 ARG A 115 11.160 -1.472 -9.742 1.00 75.42 H new ATOM 0 HH22 ARG A 115 11.217 -2.318 -11.291 1.00 75.42 H new ATOM 1861 N ARG A 116 8.119 -5.711 -7.395 1.00 51.12 N ATOM 1862 CA ARG A 116 9.384 -6.405 -7.464 1.00 32.45 C ATOM 1863 C ARG A 116 9.196 -7.915 -7.545 1.00 4.34 C ATOM 1864 O ARG A 116 10.038 -8.593 -8.119 1.00 52.31 O ATOM 1865 CB ARG A 116 10.247 -6.060 -6.250 1.00 1.04 C ATOM 1866 CG ARG A 116 10.860 -4.662 -6.266 1.00 2.44 C ATOM 1867 CD ARG A 116 11.777 -4.503 -7.473 1.00 20.21 C ATOM 1868 NE ARG A 116 12.822 -3.499 -7.258 1.00 71.33 N ATOM 1869 CZ ARG A 116 13.884 -3.398 -8.061 1.00 33.13 C ATOM 1870 NH1 ARG A 116 13.876 -3.995 -9.245 1.00 14.14 N ATOM 1871 NH2 ARG A 116 14.976 -2.760 -7.665 1.00 60.25 N ATOM 0 H ARG A 116 8.009 -5.133 -6.562 1.00 51.12 H new ATOM 0 HA ARG A 116 9.886 -6.076 -8.374 1.00 32.45 H new ATOM 0 HB2 ARG A 116 9.639 -6.163 -5.351 1.00 1.04 H new ATOM 0 HB3 ARG A 116 11.052 -6.792 -6.176 1.00 1.04 H new ATOM 0 HG2 ARG A 116 10.070 -3.911 -6.299 1.00 2.44 H new ATOM 0 HG3 ARG A 116 11.423 -4.493 -5.348 1.00 2.44 H new ATOM 0 HD2 ARG A 116 12.241 -5.462 -7.701 1.00 20.21 H new ATOM 0 HD3 ARG A 116 11.182 -4.223 -8.342 1.00 20.21 H new ATOM 0 HE ARG A 116 12.736 -2.857 -6.470 1.00 71.33 H new ATOM 0 HH11 ARG A 116 13.060 -4.530 -9.541 1.00 14.14 H new ATOM 0 HH12 ARG A 116 14.686 -3.919 -9.860 1.00 14.14 H new ATOM 0 HH21 ARG A 116 15.012 -2.339 -6.737 1.00 60.25 H new ATOM 0 HH22 ARG A 116 15.780 -2.690 -8.288 1.00 60.25 H new ATOM 1885 N SER A 117 8.118 -8.445 -6.995 1.00 11.13 N ATOM 1886 CA SER A 117 7.821 -9.860 -7.014 1.00 75.12 C ATOM 1887 C SER A 117 7.282 -10.338 -8.380 1.00 24.40 C ATOM 1888 O SER A 117 7.246 -11.552 -8.604 1.00 44.14 O ATOM 1889 CB SER A 117 6.804 -10.099 -5.896 1.00 5.32 C ATOM 1890 OG SER A 117 7.300 -9.629 -4.648 1.00 5.43 O ATOM 0 H SER A 117 7.412 -7.889 -6.513 1.00 11.13 H new ATOM 0 HA SER A 117 8.732 -10.438 -6.855 1.00 75.12 H new ATOM 0 HB2 SER A 117 5.869 -9.591 -6.135 1.00 5.32 H new ATOM 0 HB3 SER A 117 6.579 -11.163 -5.825 1.00 5.32 H new ATOM 0 HG SER A 117 7.279 -8.649 -4.636 1.00 5.43 H new ATOM 1896 N GLN A 118 6.909 -9.425 -9.298 1.00 22.12 N ATOM 1897 CA GLN A 118 6.225 -9.742 -10.562 1.00 20.12 C ATOM 1898 C GLN A 118 7.078 -9.481 -11.815 1.00 61.43 C ATOM 1899 O GLN A 118 6.814 -10.071 -12.861 1.00 32.44 O ATOM 1900 CB GLN A 118 4.931 -8.916 -10.653 1.00 54.13 C ATOM 1901 CG GLN A 118 3.860 -9.188 -9.576 1.00 65.35 C ATOM 1902 CD GLN A 118 2.764 -8.130 -9.660 1.00 74.11 C ATOM 1903 OE1 GLN A 118 2.560 -7.382 -8.716 1.00 70.03 O ATOM 1904 NE2 GLN A 118 2.089 -7.952 -10.786 1.00 52.42 N ATOM 0 H GLN A 118 7.079 -8.427 -9.177 1.00 22.12 H new ATOM 0 HA GLN A 118 6.019 -10.812 -10.545 1.00 20.12 H new ATOM 0 HB2 GLN A 118 5.197 -7.860 -10.609 1.00 54.13 H new ATOM 0 HB3 GLN A 118 4.483 -9.092 -11.631 1.00 54.13 H new ATOM 0 HG2 GLN A 118 3.432 -10.180 -9.718 1.00 65.35 H new ATOM 0 HG3 GLN A 118 4.315 -9.176 -8.586 1.00 65.35 H new ATOM 0 HE21 GLN A 118 2.251 -8.570 -11.581 1.00 52.42 H new ATOM 0 HE22 GLN A 118 1.407 -7.197 -10.858 1.00 52.42 H new