USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 874 hydrogens (10 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 NoAdj-H: A 38 TPO H2 : A 38 TPO N : A 37 LEU C :(H bumps) USER MOD NoAdj-H: A 38 TPO H : A 38 TPO N : A 37 LEU C :(H bumps) USER MOD NoAdj-H: A 41 SEP H2 : A 41 SEP N : A 40 SER C :(H bumps) USER MOD Set 1.1: A 54 SER OG : rot 180:sc= -0.234 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -117:sc= -0.144 (180deg=-0.00776) USER MOD Set 2.1: A 46 SER OG : rot 164:sc= 0.0442 USER MOD Set 2.2: A 50 LYS NZ :NH3+ 177:sc= -0.392 (180deg=-0.404) USER MOD Single : A 28 HIS : no HD1:sc= -0.921 K(o=-0.92,f=-2!) USER MOD Single : A 29 MET CE :methyl 159:sc= -0.132 (180deg=-0.695) USER MOD Single : A 31 CYS SG : rot -19:sc= 0.637 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 150:sc= 0.534 (180deg=-0.0211) USER MOD Single : A 44 MET CE :methyl -108:sc= -0.658 (180deg=-2.7!) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.83 X(o=-1.8,f=-1.5) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2 K(o=-2,f=-3.4!) USER MOD Single : A 61 GLN : amide:sc= -0.878 K(o=-0.88,f=-0.25) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.04 X(o=-1,f=-1.2) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-2.6) USER MOD Single : A 82 MET CE :methyl -168:sc= -2.46 (180deg=-2.81) USER MOD Single : A 86 ASN : amide:sc= -0.0583 K(o=-0.058,f=-0.61) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= -0.011 (180deg=-0.188) USER MOD Single : A 96 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.13) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot -26:sc= 0.445 USER MOD Single : A 100 MET CE :methyl -130:sc= -0.0355 (180deg=-0.284) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0529 USER MOD Single : A 106 CYS SG : rot 75:sc= -1.01 USER MOD Single : A 110 LYS NZ :NH3+ -145:sc= 0.252 (180deg=-0.305) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.033) USER MOD Single : A 133 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.79) USER MOD Single : A 134 LYS NZ :NH3+ 140:sc= -0.0338 (180deg=-0.22) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 28 1.657 16.601 12.730 1.00 0.00 N ATOM 2 CA HIS A 28 1.563 15.847 14.010 1.00 0.00 C ATOM 3 C HIS A 28 2.706 14.836 14.129 1.00 0.00 C ATOM 4 O HIS A 28 2.501 13.631 13.966 1.00 0.00 O ATOM 5 CB HIS A 28 0.211 15.126 14.105 1.00 0.00 C ATOM 6 CG HIS A 28 -0.969 16.040 13.978 1.00 0.00 C ATOM 7 ND1 HIS A 28 -1.752 16.104 12.844 1.00 0.00 N ATOM 8 CD2 HIS A 28 -1.497 16.931 14.848 1.00 0.00 C ATOM 9 CE1 HIS A 28 -2.710 16.996 13.024 1.00 0.00 C ATOM 10 NE2 HIS A 28 -2.578 17.511 14.231 1.00 0.00 N ATOM 0 HA HIS A 28 1.644 16.559 14.832 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.158 14.368 13.324 1.00 0.00 H new ATOM 0 HB3 HIS A 28 0.154 14.604 15.060 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -1.136 17.146 15.843 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -3.472 17.259 12.305 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.181 18.225 14.640 1.00 0.00 H new ATOM 19 N MET A 29 3.910 15.345 14.421 1.00 0.00 N ATOM 20 CA MET A 29 5.108 14.510 14.564 1.00 0.00 C ATOM 21 C MET A 29 5.467 13.826 13.241 1.00 0.00 C ATOM 22 O MET A 29 6.356 14.285 12.521 1.00 0.00 O ATOM 23 CB MET A 29 4.917 13.468 15.676 1.00 0.00 C ATOM 24 CG MET A 29 6.135 12.587 15.910 1.00 0.00 C ATOM 25 SD MET A 29 7.561 13.510 16.517 1.00 0.00 S ATOM 26 CE MET A 29 6.926 14.132 18.073 1.00 0.00 C ATOM 0 H MET A 29 4.080 16.341 14.564 1.00 0.00 H new ATOM 0 HA MET A 29 5.936 15.162 14.842 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.669 13.983 16.604 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.066 12.835 15.425 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.881 11.807 16.628 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.401 12.088 14.978 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.758 14.392 18.728 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.318 15.018 17.890 1.00 0.00 H new ATOM 0 HE3 MET A 29 6.315 13.365 18.549 1.00 0.00 H new ATOM 36 N GLU A 30 4.772 12.730 12.927 1.00 0.00 N ATOM 37 CA GLU A 30 5.011 11.988 11.691 1.00 0.00 C ATOM 38 C GLU A 30 4.136 12.523 10.558 1.00 0.00 C ATOM 39 O GLU A 30 4.583 12.619 9.416 1.00 0.00 O ATOM 40 CB GLU A 30 4.746 10.492 11.902 1.00 0.00 C ATOM 41 CG GLU A 30 3.356 10.181 12.440 1.00 0.00 C ATOM 42 CD GLU A 30 3.105 8.694 12.597 1.00 0.00 C ATOM 43 OE1 GLU A 30 3.836 8.047 13.378 1.00 0.00 O ATOM 44 OE2 GLU A 30 2.177 8.176 11.940 1.00 0.00 O ATOM 0 H GLU A 30 4.037 12.337 13.515 1.00 0.00 H new ATOM 0 HA GLU A 30 6.056 12.123 11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.883 9.972 10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.490 10.095 12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.227 10.670 13.405 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.609 10.602 11.767 1.00 0.00 H new ATOM 51 N CYS A 31 2.889 12.869 10.884 1.00 0.00 N ATOM 52 CA CYS A 31 1.955 13.402 9.894 1.00 0.00 C ATOM 53 C CYS A 31 2.381 14.799 9.447 1.00 0.00 C ATOM 54 O CYS A 31 2.958 15.559 10.228 1.00 0.00 O ATOM 55 CB CYS A 31 0.536 13.448 10.469 1.00 0.00 C ATOM 56 SG CYS A 31 -0.096 11.843 11.011 1.00 0.00 S ATOM 0 H CYS A 31 2.504 12.789 11.825 1.00 0.00 H new ATOM 0 HA CYS A 31 1.965 12.741 9.028 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.521 14.136 11.314 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.137 13.855 9.714 1.00 0.00 H new ATOM 0 HG CYS A 31 0.591 10.894 10.448 1.00 0.00 H new ATOM 62 N ALA A 32 2.096 15.130 8.187 1.00 0.00 N ATOM 63 CA ALA A 32 2.449 16.438 7.639 1.00 0.00 C ATOM 64 C ALA A 32 1.403 17.488 8.015 1.00 0.00 C ATOM 65 O ALA A 32 0.693 18.013 7.153 1.00 0.00 O ATOM 66 CB ALA A 32 2.610 16.348 6.127 1.00 0.00 C ATOM 0 H ALA A 32 1.623 14.511 7.529 1.00 0.00 H new ATOM 0 HA ALA A 32 3.401 16.748 8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.873 17.329 5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.399 15.636 5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.673 16.015 5.680 1.00 0.00 H new ATOM 72 N ASP A 33 1.315 17.787 9.312 1.00 0.00 N ATOM 73 CA ASP A 33 0.357 18.767 9.821 1.00 0.00 C ATOM 74 C ASP A 33 0.951 19.559 10.986 1.00 0.00 C ATOM 75 O ASP A 33 2.038 19.241 11.474 1.00 0.00 O ATOM 76 CB ASP A 33 -0.927 18.065 10.275 1.00 0.00 C ATOM 77 CG ASP A 33 -1.548 17.213 9.182 1.00 0.00 C ATOM 78 OD1 ASP A 33 -2.306 17.764 8.358 1.00 0.00 O ATOM 79 OD2 ASP A 33 -1.273 15.995 9.153 1.00 0.00 O ATOM 0 H ASP A 33 1.899 17.361 10.032 1.00 0.00 H new ATOM 0 HA ASP A 33 0.123 19.461 9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.707 17.437 11.138 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.649 18.813 10.601 1.00 0.00 H new ATOM 84 N VAL A 34 0.231 20.590 11.427 1.00 0.00 N ATOM 85 CA VAL A 34 0.684 21.422 12.540 1.00 0.00 C ATOM 86 C VAL A 34 0.548 20.669 13.866 1.00 0.00 C ATOM 87 O VAL A 34 -0.552 20.257 14.238 1.00 0.00 O ATOM 88 CB VAL A 34 -0.108 22.747 12.622 1.00 0.00 C ATOM 89 CG1 VAL A 34 0.396 23.609 13.773 1.00 0.00 C ATOM 90 CG2 VAL A 34 -0.021 23.506 11.305 1.00 0.00 C ATOM 0 H VAL A 34 -0.667 20.868 11.031 1.00 0.00 H new ATOM 0 HA VAL A 34 1.733 21.657 12.358 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.154 22.506 12.811 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.176 24.536 13.811 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.275 23.069 14.712 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.450 23.839 13.620 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.585 24.436 11.383 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.022 23.732 11.083 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.438 22.895 10.505 1.00 0.00 H new ATOM 100 N PRO A 35 1.671 20.479 14.590 1.00 0.00 N ATOM 101 CA PRO A 35 1.677 19.768 15.878 1.00 0.00 C ATOM 102 C PRO A 35 0.728 20.397 16.899 1.00 0.00 C ATOM 103 O PRO A 35 1.006 21.464 17.449 1.00 0.00 O ATOM 104 CB PRO A 35 3.132 19.882 16.348 1.00 0.00 C ATOM 105 CG PRO A 35 3.916 20.128 15.107 1.00 0.00 C ATOM 106 CD PRO A 35 3.021 20.935 14.211 1.00 0.00 C ATOM 0 HA PRO A 35 1.333 18.739 15.773 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.254 20.697 17.061 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.459 18.970 16.848 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.838 20.667 15.327 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.201 19.189 14.632 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.146 22.005 14.375 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.229 20.747 13.158 1.00 0.00 H new ATOM 114 N LEU A 36 -0.397 19.725 17.136 1.00 0.00 N ATOM 115 CA LEU A 36 -1.400 20.201 18.088 1.00 0.00 C ATOM 116 C LEU A 36 -2.238 19.038 18.616 1.00 0.00 C ATOM 117 O LEU A 36 -2.317 18.818 19.825 1.00 0.00 O ATOM 118 CB LEU A 36 -2.306 21.247 17.428 1.00 0.00 C ATOM 119 CG LEU A 36 -3.404 21.825 18.328 1.00 0.00 C ATOM 120 CD1 LEU A 36 -2.795 22.583 19.499 1.00 0.00 C ATOM 121 CD2 LEU A 36 -4.329 22.729 17.528 1.00 0.00 C ATOM 0 H LEU A 36 -0.638 18.845 16.680 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.882 20.663 18.928 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.684 22.067 17.069 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.776 20.797 16.554 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.992 20.998 18.726 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.591 22.985 20.126 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.176 21.906 20.088 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.181 23.401 19.123 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.102 23.130 18.183 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.754 23.550 17.100 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.795 22.155 16.727 1.00 0.00 H new ATOM 133 N LEU A 37 -2.861 18.302 17.697 1.00 0.00 N ATOM 134 CA LEU A 37 -3.692 17.158 18.060 1.00 0.00 C ATOM 135 C LEU A 37 -2.897 15.856 17.957 1.00 0.00 C ATOM 136 O LEU A 37 -2.934 15.169 16.934 1.00 0.00 O ATOM 137 CB LEU A 37 -4.934 17.095 17.162 1.00 0.00 C ATOM 138 CG LEU A 37 -5.939 15.996 17.517 1.00 0.00 C ATOM 139 CD1 LEU A 37 -6.549 16.250 18.887 1.00 0.00 C ATOM 140 CD2 LEU A 37 -7.025 15.905 16.454 1.00 0.00 C ATOM 0 H LEU A 37 -2.805 18.479 16.694 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.013 17.283 19.094 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.443 18.058 17.204 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.611 16.950 16.131 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.410 15.043 17.551 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.261 15.458 19.121 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.761 16.263 19.640 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.064 17.211 18.884 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.731 15.119 16.722 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.550 16.858 16.388 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.572 15.673 15.490 1.00 0.00 H new HETATM 152 N TPO A 38 -2.171 15.529 19.026 1.00 0.00 N HETATM 153 CA TPO A 38 -1.365 14.310 19.069 1.00 0.00 C HETATM 154 CB TPO A 38 0.116 14.645 18.841 1.00 0.00 C HETATM 155 CG2 TPO A 38 0.678 15.625 19.852 1.00 0.00 C HETATM 156 OG1 TPO A 38 0.904 13.435 18.913 1.00 0.00 O HETATM 157 P TPO A 38 1.718 13.287 17.512 1.00 0.00 P HETATM 158 O1P TPO A 38 2.417 14.593 17.177 1.00 0.00 O HETATM 159 O2P TPO A 38 0.743 12.923 16.402 1.00 0.00 O HETATM 160 O3P TPO A 38 2.771 12.203 17.645 1.00 0.00 O HETATM 161 C TPO A 38 -1.558 13.576 20.402 1.00 0.00 C HETATM 162 O TPO A 38 -0.610 13.388 21.168 1.00 0.00 O HETATM 0 HG23 TPO A 38 0.121 16.560 19.801 1.00 0.00 H new HETATM 0 HG22 TPO A 38 0.590 15.205 20.854 1.00 0.00 H new HETATM 0 HG21 TPO A 38 1.728 15.815 19.630 1.00 0.00 H new HETATM 0 HB TPO A 38 0.172 15.110 17.857 1.00 0.00 H new HETATM 0 HA TPO A 38 -1.697 13.647 18.270 1.00 0.00 H new ATOM 169 N PRO A 39 -2.803 13.150 20.694 1.00 0.00 N ATOM 170 CA PRO A 39 -3.126 12.438 21.936 1.00 0.00 C ATOM 171 C PRO A 39 -2.632 10.993 21.927 1.00 0.00 C ATOM 172 O PRO A 39 -2.028 10.542 20.952 1.00 0.00 O ATOM 173 CB PRO A 39 -4.655 12.484 21.973 1.00 0.00 C ATOM 174 CG PRO A 39 -5.059 12.534 20.540 1.00 0.00 C ATOM 175 CD PRO A 39 -3.993 13.329 19.837 1.00 0.00 C ATOM 0 HA PRO A 39 -2.648 12.890 22.805 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.067 11.607 22.472 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.013 13.358 22.518 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.138 11.531 20.121 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.036 13.004 20.426 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.818 12.960 18.826 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.269 14.380 19.749 1.00 0.00 H new ATOM 183 N SER A 40 -2.888 10.270 23.020 1.00 0.00 N ATOM 184 CA SER A 40 -2.476 8.871 23.131 1.00 0.00 C ATOM 185 C SER A 40 -3.008 8.050 21.954 1.00 0.00 C ATOM 186 O SER A 40 -2.297 7.208 21.407 1.00 0.00 O ATOM 187 CB SER A 40 -2.968 8.274 24.453 1.00 0.00 C ATOM 188 OG SER A 40 -2.510 6.943 24.615 1.00 0.00 O ATOM 0 H SER A 40 -3.378 10.631 23.839 1.00 0.00 H new ATOM 0 HA SER A 40 -1.387 8.836 23.110 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.618 8.886 25.284 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.057 8.293 24.481 1.00 0.00 H new ATOM 0 HG SER A 40 -2.837 6.586 25.467 1.00 0.00 H new HETATM 194 N SEP A 41 -4.263 8.309 21.573 1.00 0.00 N HETATM 195 CA SEP A 41 -4.898 7.603 20.457 1.00 0.00 C HETATM 196 CB SEP A 41 -6.341 8.088 20.276 1.00 0.00 C HETATM 197 OG SEP A 41 -6.975 7.355 19.204 1.00 0.00 O HETATM 198 C SEP A 41 -4.113 7.798 19.159 1.00 0.00 C HETATM 199 O SEP A 41 -3.925 6.849 18.396 1.00 0.00 O HETATM 200 P SEP A 41 -7.517 8.439 18.119 1.00 0.00 P HETATM 201 O1P SEP A 41 -8.421 9.450 18.801 1.00 0.00 O HETATM 202 O2P SEP A 41 -8.293 7.708 17.031 1.00 0.00 O HETATM 203 O3P SEP A 41 -6.347 9.184 17.501 1.00 0.00 O HETATM 0 HB3 SEP A 41 -6.899 7.950 21.202 1.00 0.00 H new HETATM 0 HB2 SEP A 41 -6.350 9.155 20.054 1.00 0.00 H new HETATM 0 HA SEP A 41 -4.904 6.539 20.693 1.00 0.00 H new HETATM 0 H SEP A 41 -4.787 9.009 22.098 1.00 0.00 H new ATOM 208 N LYS A 42 -3.663 9.029 18.912 1.00 0.00 N ATOM 209 CA LYS A 42 -2.891 9.341 17.710 1.00 0.00 C ATOM 210 C LYS A 42 -1.530 8.639 17.737 1.00 0.00 C ATOM 211 O LYS A 42 -1.060 8.140 16.713 1.00 0.00 O ATOM 212 CB LYS A 42 -2.697 10.858 17.589 1.00 0.00 C ATOM 213 CG LYS A 42 -1.783 11.279 16.445 1.00 0.00 C ATOM 214 CD LYS A 42 -2.401 10.979 15.085 1.00 0.00 C ATOM 215 CE LYS A 42 -3.548 11.927 14.763 1.00 0.00 C ATOM 216 NZ LYS A 42 -3.080 13.329 14.566 1.00 0.00 N ATOM 0 H LYS A 42 -3.820 9.826 19.529 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.446 8.980 16.844 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.671 11.328 17.454 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.287 11.237 18.525 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.574 12.346 16.521 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.829 10.760 16.533 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.636 11.059 14.313 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.764 9.951 15.069 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.058 11.586 13.862 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.278 11.900 15.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.708 13.813 13.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.094 13.831 15.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.110 13.322 14.190 1.00 0.00 H new ATOM 230 N GLU A 43 -0.909 8.606 18.916 1.00 0.00 N ATOM 231 CA GLU A 43 0.397 7.970 19.089 1.00 0.00 C ATOM 232 C GLU A 43 0.308 6.448 18.949 1.00 0.00 C ATOM 233 O GLU A 43 1.181 5.829 18.341 1.00 0.00 O ATOM 234 CB GLU A 43 0.984 8.339 20.455 1.00 0.00 C ATOM 235 CG GLU A 43 1.209 9.835 20.632 1.00 0.00 C ATOM 236 CD GLU A 43 1.459 10.223 22.076 1.00 0.00 C ATOM 237 OE1 GLU A 43 2.634 10.207 22.501 1.00 0.00 O ATOM 238 OE2 GLU A 43 0.480 10.546 22.782 1.00 0.00 O ATOM 0 H GLU A 43 -1.291 9.014 19.769 1.00 0.00 H new ATOM 0 HA GLU A 43 1.053 8.338 18.300 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.314 7.985 21.238 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.932 7.818 20.587 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.059 10.145 20.025 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.338 10.376 20.260 1.00 0.00 H new ATOM 245 N MET A 44 -0.751 5.852 19.504 1.00 0.00 N ATOM 246 CA MET A 44 -0.941 4.401 19.435 1.00 0.00 C ATOM 247 C MET A 44 -1.391 3.967 18.036 1.00 0.00 C ATOM 248 O MET A 44 -1.110 2.845 17.609 1.00 0.00 O ATOM 249 CB MET A 44 -1.960 3.937 20.485 1.00 0.00 C ATOM 250 CG MET A 44 -3.390 4.369 20.193 1.00 0.00 C ATOM 251 SD MET A 44 -4.560 3.785 21.433 1.00 0.00 S ATOM 252 CE MET A 44 -6.116 4.232 20.667 1.00 0.00 C ATOM 0 H MET A 44 -1.487 6.350 20.004 1.00 0.00 H new ATOM 0 HA MET A 44 0.020 3.931 19.646 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.927 2.850 20.553 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.665 4.327 21.459 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.433 5.457 20.142 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.686 3.992 19.214 1.00 0.00 H new ATOM 0 HE1 MET A 44 -6.556 5.074 21.201 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.943 4.512 19.628 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.798 3.382 20.705 1.00 0.00 H new ATOM 262 N MET A 45 -2.092 4.861 17.333 1.00 0.00 N ATOM 263 CA MET A 45 -2.582 4.581 15.986 1.00 0.00 C ATOM 264 C MET A 45 -1.434 4.239 15.031 1.00 0.00 C ATOM 265 O MET A 45 -1.563 3.341 14.197 1.00 0.00 O ATOM 266 CB MET A 45 -3.364 5.785 15.451 1.00 0.00 C ATOM 267 CG MET A 45 -3.932 5.576 14.058 1.00 0.00 C ATOM 268 SD MET A 45 -4.795 7.031 13.433 1.00 0.00 S ATOM 269 CE MET A 45 -5.196 6.498 11.771 1.00 0.00 C ATOM 0 H MET A 45 -2.333 5.790 17.680 1.00 0.00 H new ATOM 0 HA MET A 45 -3.241 3.715 16.044 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.181 6.010 16.137 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.709 6.656 15.439 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.123 5.317 13.375 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.619 4.730 14.073 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.734 7.293 11.254 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.277 6.270 11.230 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.821 5.606 11.816 1.00 0.00 H new ATOM 279 N SER A 46 -0.314 4.953 15.160 1.00 0.00 N ATOM 280 CA SER A 46 0.844 4.722 14.294 1.00 0.00 C ATOM 281 C SER A 46 1.739 3.601 14.831 1.00 0.00 C ATOM 282 O SER A 46 2.427 2.932 14.058 1.00 0.00 O ATOM 283 CB SER A 46 1.649 6.011 14.125 1.00 0.00 C ATOM 284 OG SER A 46 2.126 6.486 15.373 1.00 0.00 O ATOM 0 H SER A 46 -0.184 5.692 15.851 1.00 0.00 H new ATOM 0 HA SER A 46 0.469 4.407 13.320 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.490 5.832 13.456 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.026 6.773 13.657 1.00 0.00 H new ATOM 0 HG SER A 46 2.835 7.146 15.223 1.00 0.00 H new ATOM 290 N GLN A 47 1.732 3.405 16.154 1.00 0.00 N ATOM 291 CA GLN A 47 2.534 2.355 16.787 1.00 0.00 C ATOM 292 C GLN A 47 2.294 0.999 16.122 1.00 0.00 C ATOM 293 O GLN A 47 3.240 0.317 15.723 1.00 0.00 O ATOM 294 CB GLN A 47 2.198 2.261 18.278 1.00 0.00 C ATOM 295 CG GLN A 47 2.847 3.351 19.119 1.00 0.00 C ATOM 296 CD GLN A 47 2.277 3.443 20.527 1.00 0.00 C ATOM 297 OE1 GLN A 47 2.182 4.531 21.095 1.00 0.00 O ATOM 298 NE2 GLN A 47 1.906 2.303 21.109 1.00 0.00 N ATOM 0 H GLN A 47 1.179 3.961 16.807 1.00 0.00 H new ATOM 0 HA GLN A 47 3.585 2.618 16.666 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.116 2.314 18.402 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.515 1.288 18.653 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.919 3.164 19.180 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.719 4.311 18.619 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.000 1.420 20.607 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.528 2.313 22.057 1.00 0.00 H new ATOM 307 N ALA A 48 1.019 0.620 16.006 1.00 0.00 N ATOM 308 CA ALA A 48 0.639 -0.652 15.392 1.00 0.00 C ATOM 309 C ALA A 48 1.000 -0.695 13.907 1.00 0.00 C ATOM 310 O ALA A 48 1.368 -1.750 13.390 1.00 0.00 O ATOM 311 CB ALA A 48 -0.850 -0.904 15.580 1.00 0.00 C ATOM 0 H ALA A 48 0.230 1.179 16.331 1.00 0.00 H new ATOM 0 HA ALA A 48 1.202 -1.441 15.891 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.119 -1.854 15.118 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.081 -0.939 16.645 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.417 -0.099 15.112 1.00 0.00 H new ATOM 317 N LEU A 49 0.890 0.446 13.224 1.00 0.00 N ATOM 318 CA LEU A 49 1.211 0.527 11.796 1.00 0.00 C ATOM 319 C LEU A 49 2.665 0.129 11.524 1.00 0.00 C ATOM 320 O LEU A 49 2.958 -0.528 10.524 1.00 0.00 O ATOM 321 CB LEU A 49 0.957 1.944 11.273 1.00 0.00 C ATOM 322 CG LEU A 49 -0.516 2.330 11.122 1.00 0.00 C ATOM 323 CD1 LEU A 49 -0.650 3.813 10.806 1.00 0.00 C ATOM 324 CD2 LEU A 49 -1.178 1.493 10.037 1.00 0.00 C ATOM 0 H LEU A 49 0.581 1.327 13.636 1.00 0.00 H new ATOM 0 HA LEU A 49 0.562 -0.175 11.272 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.434 2.654 11.948 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.444 2.049 10.304 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.022 2.132 12.067 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.704 4.069 10.702 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.212 4.398 11.615 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.129 4.035 9.875 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.225 1.781 9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.669 1.660 9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.114 0.438 10.302 1.00 0.00 H new ATOM 336 N LYS A 50 3.569 0.532 12.416 1.00 0.00 N ATOM 337 CA LYS A 50 4.992 0.221 12.269 1.00 0.00 C ATOM 338 C LYS A 50 5.276 -1.271 12.462 1.00 0.00 C ATOM 339 O LYS A 50 6.132 -1.837 11.778 1.00 0.00 O ATOM 340 CB LYS A 50 5.815 1.033 13.272 1.00 0.00 C ATOM 341 CG LYS A 50 5.669 2.537 13.106 1.00 0.00 C ATOM 342 CD LYS A 50 6.391 3.295 14.208 1.00 0.00 C ATOM 343 CE LYS A 50 6.200 4.798 14.072 1.00 0.00 C ATOM 344 NZ LYS A 50 4.783 5.204 14.286 1.00 0.00 N ATOM 0 H LYS A 50 3.342 1.075 13.249 1.00 0.00 H new ATOM 0 HA LYS A 50 5.279 0.488 11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.515 0.757 14.283 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.866 0.765 13.167 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.067 2.837 12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.612 2.803 13.113 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.020 2.967 15.179 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.455 3.059 14.176 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.836 5.311 14.793 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.522 5.116 13.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.707 6.240 14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.184 4.776 13.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.467 4.880 15.222 1.00 0.00 H new ATOM 358 N ALA A 51 4.555 -1.905 13.390 1.00 0.00 N ATOM 359 CA ALA A 51 4.751 -3.326 13.680 1.00 0.00 C ATOM 360 C ALA A 51 3.934 -4.235 12.755 1.00 0.00 C ATOM 361 O ALA A 51 4.359 -5.350 12.448 1.00 0.00 O ATOM 362 CB ALA A 51 4.411 -3.615 15.135 1.00 0.00 C ATOM 0 H ALA A 51 3.831 -1.457 13.952 1.00 0.00 H new ATOM 0 HA ALA A 51 5.802 -3.548 13.498 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.560 -4.675 15.340 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.058 -3.025 15.784 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.370 -3.352 15.325 1.00 0.00 H new ATOM 368 N THR A 52 2.767 -3.761 12.312 1.00 0.00 N ATOM 369 CA THR A 52 1.899 -4.551 11.434 1.00 0.00 C ATOM 370 C THR A 52 2.524 -4.759 10.050 1.00 0.00 C ATOM 371 O THR A 52 2.263 -5.770 9.396 1.00 0.00 O ATOM 372 CB THR A 52 0.506 -3.901 11.272 1.00 0.00 C ATOM 373 OG1 THR A 52 -0.393 -4.821 10.641 1.00 0.00 O ATOM 374 CG2 THR A 52 0.582 -2.622 10.451 1.00 0.00 C ATOM 0 H THR A 52 2.402 -2.838 12.545 1.00 0.00 H new ATOM 0 HA THR A 52 1.783 -5.522 11.916 1.00 0.00 H new ATOM 0 HB THR A 52 0.138 -3.649 12.267 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.274 -4.403 10.543 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.415 -2.191 10.356 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.240 -1.909 10.948 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.975 -2.849 9.460 1.00 0.00 H new ATOM 382 N PHE A 53 3.347 -3.803 9.611 1.00 0.00 N ATOM 383 CA PHE A 53 4.001 -3.893 8.307 1.00 0.00 C ATOM 384 C PHE A 53 5.466 -4.309 8.461 1.00 0.00 C ATOM 385 O PHE A 53 6.375 -3.622 7.985 1.00 0.00 O ATOM 386 CB PHE A 53 3.892 -2.559 7.561 1.00 0.00 C ATOM 387 CG PHE A 53 2.509 -2.270 7.046 1.00 0.00 C ATOM 388 CD1 PHE A 53 2.029 -2.909 5.912 1.00 0.00 C ATOM 389 CD2 PHE A 53 1.687 -1.360 7.694 1.00 0.00 C ATOM 390 CE1 PHE A 53 0.759 -2.646 5.436 1.00 0.00 C ATOM 391 CE2 PHE A 53 0.416 -1.094 7.222 1.00 0.00 C ATOM 392 CZ PHE A 53 -0.049 -1.737 6.093 1.00 0.00 C ATOM 0 H PHE A 53 3.575 -2.961 10.139 1.00 0.00 H new ATOM 0 HA PHE A 53 3.493 -4.658 7.721 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.198 -1.753 8.228 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.590 -2.562 6.723 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.656 -3.621 5.395 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.045 -0.853 8.578 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.398 -3.150 4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.213 -0.383 7.737 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.043 -1.530 5.723 1.00 0.00 H new ATOM 402 N SER A 54 5.683 -5.443 9.130 1.00 0.00 N ATOM 403 CA SER A 54 7.031 -5.967 9.352 1.00 0.00 C ATOM 404 C SER A 54 7.595 -6.604 8.077 1.00 0.00 C ATOM 405 O SER A 54 8.813 -6.687 7.908 1.00 0.00 O ATOM 406 CB SER A 54 7.021 -6.989 10.491 1.00 0.00 C ATOM 407 OG SER A 54 8.339 -7.354 10.864 1.00 0.00 O ATOM 0 H SER A 54 4.940 -6.017 9.528 1.00 0.00 H new ATOM 0 HA SER A 54 7.675 -5.132 9.627 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.499 -6.572 11.352 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.469 -7.876 10.182 1.00 0.00 H new ATOM 0 HG SER A 54 8.303 -8.007 11.594 1.00 0.00 H new ATOM 413 N GLY A 55 6.706 -7.048 7.180 1.00 0.00 N ATOM 414 CA GLY A 55 7.142 -7.654 5.932 1.00 0.00 C ATOM 415 C GLY A 55 7.613 -6.618 4.920 1.00 0.00 C ATOM 416 O GLY A 55 8.339 -6.946 3.982 1.00 0.00 O ATOM 0 H GLY A 55 5.694 -6.997 7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.952 -8.355 6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.321 -8.230 5.504 1.00 0.00 H new ATOM 420 N PHE A 56 7.201 -5.362 5.125 1.00 0.00 N ATOM 421 CA PHE A 56 7.589 -4.274 4.233 1.00 0.00 C ATOM 422 C PHE A 56 8.988 -3.780 4.582 1.00 0.00 C ATOM 423 O PHE A 56 9.837 -3.645 3.703 1.00 0.00 O ATOM 424 CB PHE A 56 6.586 -3.117 4.301 1.00 0.00 C ATOM 425 CG PHE A 56 6.874 -2.021 3.309 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.255 -2.326 2.010 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.769 -0.689 3.674 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.525 -1.325 1.098 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.037 0.316 2.765 1.00 0.00 C ATOM 430 CZ PHE A 56 7.416 -0.002 1.476 1.00 0.00 C ATOM 0 H PHE A 56 6.601 -5.079 5.900 1.00 0.00 H new ATOM 0 HA PHE A 56 7.592 -4.659 3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.583 -3.504 4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.593 -2.698 5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.341 -3.359 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.474 -0.433 4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.821 -1.577 0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.950 1.351 3.063 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.627 0.783 0.765 1.00 0.00 H new ATOM 440 N THR A 57 9.218 -3.515 5.871 1.00 0.00 N ATOM 441 CA THR A 57 10.523 -3.051 6.345 1.00 0.00 C ATOM 442 C THR A 57 11.633 -4.022 5.937 1.00 0.00 C ATOM 443 O THR A 57 12.757 -3.602 5.659 1.00 0.00 O ATOM 444 CB THR A 57 10.539 -2.871 7.878 1.00 0.00 C ATOM 445 OG1 THR A 57 9.460 -2.018 8.283 1.00 0.00 O ATOM 446 CG2 THR A 57 11.860 -2.274 8.342 1.00 0.00 C ATOM 0 H THR A 57 8.516 -3.614 6.605 1.00 0.00 H new ATOM 0 HA THR A 57 10.704 -2.083 5.878 1.00 0.00 H new ATOM 0 HB THR A 57 10.421 -3.853 8.336 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.476 -1.910 9.257 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.846 -2.157 9.426 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.678 -2.936 8.059 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.003 -1.300 7.874 1.00 0.00 H new ATOM 454 N LYS A 58 11.313 -5.319 5.901 1.00 0.00 N ATOM 455 CA LYS A 58 12.282 -6.338 5.502 1.00 0.00 C ATOM 456 C LYS A 58 12.698 -6.139 4.046 1.00 0.00 C ATOM 457 O LYS A 58 13.830 -6.441 3.666 1.00 0.00 O ATOM 458 CB LYS A 58 11.698 -7.739 5.691 1.00 0.00 C ATOM 459 CG LYS A 58 11.585 -8.162 7.146 1.00 0.00 C ATOM 460 CD LYS A 58 10.832 -9.475 7.286 1.00 0.00 C ATOM 461 CE LYS A 58 10.879 -10.002 8.713 1.00 0.00 C ATOM 462 NZ LYS A 58 10.171 -9.104 9.667 1.00 0.00 N ATOM 0 H LYS A 58 10.392 -5.685 6.143 1.00 0.00 H new ATOM 0 HA LYS A 58 13.162 -6.237 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.709 -7.776 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.322 -8.458 5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.582 -8.265 7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.073 -7.385 7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.794 -9.333 6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.262 -10.215 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.428 -10.994 8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.918 -10.113 9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.849 -8.731 10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.740 -8.314 9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.428 -9.639 10.161 1.00 0.00 H new ATOM 476 N GLU A 59 11.769 -5.631 3.236 1.00 0.00 N ATOM 477 CA GLU A 59 12.024 -5.364 1.827 1.00 0.00 C ATOM 478 C GLU A 59 12.754 -4.031 1.668 1.00 0.00 C ATOM 479 O GLU A 59 13.681 -3.911 0.867 1.00 0.00 O ATOM 480 CB GLU A 59 10.701 -5.345 1.054 1.00 0.00 C ATOM 481 CG GLU A 59 10.816 -4.807 -0.365 1.00 0.00 C ATOM 482 CD GLU A 59 10.090 -3.486 -0.547 1.00 0.00 C ATOM 483 OE1 GLU A 59 10.579 -2.462 -0.025 1.00 0.00 O ATOM 484 OE2 GLU A 59 9.032 -3.477 -1.211 1.00 0.00 O ATOM 0 H GLU A 59 10.824 -5.395 3.539 1.00 0.00 H new ATOM 0 HA GLU A 59 12.656 -6.155 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.301 -6.358 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.981 -4.739 1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.869 -4.677 -0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.410 -5.540 -1.062 1.00 0.00 H new ATOM 491 N GLN A 60 12.321 -3.032 2.440 1.00 0.00 N ATOM 492 CA GLN A 60 12.921 -1.699 2.406 1.00 0.00 C ATOM 493 C GLN A 60 14.404 -1.735 2.772 1.00 0.00 C ATOM 494 O GLN A 60 15.181 -0.900 2.308 1.00 0.00 O ATOM 495 CB GLN A 60 12.180 -0.765 3.364 1.00 0.00 C ATOM 496 CG GLN A 60 10.694 -0.656 3.077 1.00 0.00 C ATOM 497 CD GLN A 60 9.993 0.324 3.996 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.535 -0.044 5.078 1.00 0.00 O ATOM 499 NE2 GLN A 60 9.903 1.579 3.571 1.00 0.00 N ATOM 0 H GLN A 60 11.550 -3.124 3.101 1.00 0.00 H new ATOM 0 HA GLN A 60 12.834 -1.326 1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.319 -1.120 4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.626 0.228 3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.549 -0.345 2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.235 -1.639 3.182 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.297 1.841 2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.440 2.281 4.148 1.00 0.00 H new ATOM 508 N GLN A 61 14.793 -2.698 3.607 1.00 0.00 N ATOM 509 CA GLN A 61 16.191 -2.829 4.027 1.00 0.00 C ATOM 510 C GLN A 61 17.031 -3.595 2.997 1.00 0.00 C ATOM 511 O GLN A 61 18.261 -3.577 3.062 1.00 0.00 O ATOM 512 CB GLN A 61 16.283 -3.511 5.395 1.00 0.00 C ATOM 513 CG GLN A 61 15.724 -4.925 5.421 1.00 0.00 C ATOM 514 CD GLN A 61 15.854 -5.575 6.785 1.00 0.00 C ATOM 515 OE1 GLN A 61 16.847 -6.240 7.075 1.00 0.00 O ATOM 516 NE2 GLN A 61 14.847 -5.386 7.633 1.00 0.00 N ATOM 0 H GLN A 61 14.165 -3.396 4.005 1.00 0.00 H new ATOM 0 HA GLN A 61 16.599 -1.821 4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.327 -3.539 5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.748 -2.906 6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.673 -4.902 5.131 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.246 -5.532 4.681 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.042 -4.827 7.352 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.880 -5.800 8.565 1.00 0.00 H new ATOM 525 N ARG A 62 16.370 -4.261 2.047 1.00 0.00 N ATOM 526 CA ARG A 62 17.068 -5.016 1.009 1.00 0.00 C ATOM 527 C ARG A 62 17.461 -4.112 -0.161 1.00 0.00 C ATOM 528 O ARG A 62 18.533 -4.273 -0.747 1.00 0.00 O ATOM 529 CB ARG A 62 16.186 -6.159 0.500 1.00 0.00 C ATOM 530 CG ARG A 62 15.949 -7.256 1.527 1.00 0.00 C ATOM 531 CD ARG A 62 14.783 -8.146 1.129 1.00 0.00 C ATOM 532 NE ARG A 62 14.985 -8.770 -0.181 1.00 0.00 N ATOM 533 CZ ARG A 62 14.041 -8.869 -1.124 1.00 0.00 C ATOM 534 NH1 ARG A 62 12.813 -8.396 -0.915 1.00 0.00 N ATOM 535 NH2 ARG A 62 14.328 -9.448 -2.285 1.00 0.00 N ATOM 0 H ARG A 62 15.353 -4.291 1.977 1.00 0.00 H new ATOM 0 HA ARG A 62 17.976 -5.427 1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.224 -5.752 0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.649 -6.596 -0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.850 -7.860 1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.751 -6.808 2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.647 -8.922 1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.867 -7.555 1.111 1.00 0.00 H new ATOM 0 HE ARG A 62 15.907 -9.155 -0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.582 -7.951 -0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.104 -8.479 -1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.265 -9.815 -2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.612 -9.526 -3.007 1.00 0.00 H new ATOM 549 N LEU A 63 16.585 -3.161 -0.493 1.00 0.00 N ATOM 550 CA LEU A 63 16.822 -2.233 -1.599 1.00 0.00 C ATOM 551 C LEU A 63 17.206 -0.832 -1.111 1.00 0.00 C ATOM 552 O LEU A 63 17.903 -0.102 -1.817 1.00 0.00 O ATOM 553 CB LEU A 63 15.573 -2.144 -2.478 1.00 0.00 C ATOM 554 CG LEU A 63 15.107 -3.477 -3.069 1.00 0.00 C ATOM 555 CD1 LEU A 63 14.041 -4.112 -2.189 1.00 0.00 C ATOM 556 CD2 LEU A 63 14.594 -3.283 -4.487 1.00 0.00 C ATOM 0 H LEU A 63 15.700 -3.014 -0.008 1.00 0.00 H new ATOM 0 HA LEU A 63 17.661 -2.623 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.760 -1.720 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.770 -1.450 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 63 15.961 -4.153 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.724 -5.058 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.450 -4.292 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.185 -3.442 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.267 -4.242 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.754 -2.588 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.392 -2.880 -5.111 1.00 0.00 H new ATOM 568 N GLY A 64 16.755 -0.458 0.089 1.00 0.00 N ATOM 569 CA GLY A 64 17.063 0.863 0.622 1.00 0.00 C ATOM 570 C GLY A 64 15.881 1.825 0.559 1.00 0.00 C ATOM 571 O GLY A 64 16.027 3.007 0.880 1.00 0.00 O ATOM 0 H GLY A 64 16.184 -1.044 0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.388 0.763 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.899 1.287 0.065 1.00 0.00 H new ATOM 575 N ILE A 65 14.714 1.323 0.140 1.00 0.00 N ATOM 576 CA ILE A 65 13.505 2.142 0.040 1.00 0.00 C ATOM 577 C ILE A 65 13.163 2.783 1.387 1.00 0.00 C ATOM 578 O ILE A 65 13.031 2.086 2.393 1.00 0.00 O ATOM 579 CB ILE A 65 12.298 1.306 -0.446 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.574 0.723 -1.835 1.00 0.00 C ATOM 581 CG2 ILE A 65 11.033 2.154 -0.466 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.501 -0.228 -2.318 1.00 0.00 C ATOM 0 H ILE A 65 14.583 0.350 -0.136 1.00 0.00 H new ATOM 0 HA ILE A 65 13.710 2.926 -0.690 1.00 0.00 H new ATOM 0 HB ILE A 65 12.148 0.481 0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.672 1.540 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.530 0.200 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.195 1.549 -0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.826 2.522 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.172 2.999 -1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.764 -0.601 -3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.418 -1.065 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.547 0.296 -2.370 1.00 0.00 H new ATOM 594 N PRO A 66 13.017 4.123 1.425 1.00 0.00 N ATOM 595 CA PRO A 66 12.687 4.843 2.661 1.00 0.00 C ATOM 596 C PRO A 66 11.222 4.667 3.063 1.00 0.00 C ATOM 597 O PRO A 66 10.419 4.133 2.296 1.00 0.00 O ATOM 598 CB PRO A 66 12.982 6.301 2.307 1.00 0.00 C ATOM 599 CG PRO A 66 12.777 6.383 0.834 1.00 0.00 C ATOM 600 CD PRO A 66 13.165 5.038 0.275 1.00 0.00 C ATOM 0 HA PRO A 66 13.256 4.476 3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.315 6.980 2.838 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.000 6.576 2.581 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.739 6.616 0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.388 7.175 0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.519 4.747 -0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.187 5.042 -0.104 1.00 0.00 H new ATOM 608 N LYS A 67 10.880 5.118 4.268 1.00 0.00 N ATOM 609 CA LYS A 67 9.510 5.005 4.771 1.00 0.00 C ATOM 610 C LYS A 67 8.584 6.037 4.122 1.00 0.00 C ATOM 611 O LYS A 67 7.419 5.742 3.849 1.00 0.00 O ATOM 612 CB LYS A 67 9.486 5.157 6.293 1.00 0.00 C ATOM 613 CG LYS A 67 10.141 4.000 7.030 1.00 0.00 C ATOM 614 CD LYS A 67 10.036 4.168 8.538 1.00 0.00 C ATOM 615 CE LYS A 67 10.677 3.003 9.276 1.00 0.00 C ATOM 616 NZ LYS A 67 10.615 3.178 10.754 1.00 0.00 N ATOM 0 H LYS A 67 11.530 5.565 4.914 1.00 0.00 H new ATOM 0 HA LYS A 67 9.142 4.014 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.992 6.083 6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.452 5.249 6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.668 3.064 6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.190 3.932 6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.519 5.098 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.987 4.248 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.173 2.077 8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.717 2.905 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.063 2.363 11.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.117 4.048 11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.622 3.246 11.054 1.00 0.00 H new ATOM 630 N ASP A 68 9.103 7.243 3.876 1.00 0.00 N ATOM 631 CA ASP A 68 8.312 8.309 3.260 1.00 0.00 C ATOM 632 C ASP A 68 8.104 8.047 1.765 1.00 0.00 C ATOM 633 O ASP A 68 9.068 7.862 1.021 1.00 0.00 O ATOM 634 CB ASP A 68 9.003 9.660 3.462 1.00 0.00 C ATOM 635 CG ASP A 68 8.137 10.824 3.017 1.00 0.00 C ATOM 636 OD1 ASP A 68 8.224 11.205 1.834 1.00 0.00 O ATOM 637 OD2 ASP A 68 7.376 11.356 3.852 1.00 0.00 O ATOM 0 H ASP A 68 10.065 7.504 4.094 1.00 0.00 H new ATOM 0 HA ASP A 68 7.335 8.328 3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.257 9.781 4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.939 9.673 2.904 1.00 0.00 H new ATOM 642 N PRO A 69 6.832 8.033 1.311 1.00 0.00 N ATOM 643 CA PRO A 69 6.487 7.790 -0.096 1.00 0.00 C ATOM 644 C PRO A 69 6.784 8.985 -1.004 1.00 0.00 C ATOM 645 O PRO A 69 7.127 8.802 -2.168 1.00 0.00 O ATOM 646 CB PRO A 69 4.986 7.510 -0.048 1.00 0.00 C ATOM 647 CG PRO A 69 4.497 8.252 1.146 1.00 0.00 C ATOM 648 CD PRO A 69 5.630 8.255 2.140 1.00 0.00 C ATOM 0 HA PRO A 69 7.077 6.976 -0.518 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.491 7.853 -0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.786 6.442 0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.211 9.270 0.880 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.613 7.772 1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.686 9.201 2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.509 7.470 2.886 1.00 0.00 H new ATOM 656 N ARG A 70 6.646 10.204 -0.479 1.00 0.00 N ATOM 657 CA ARG A 70 6.923 11.406 -1.271 1.00 0.00 C ATOM 658 C ARG A 70 8.393 11.442 -1.697 1.00 0.00 C ATOM 659 O ARG A 70 8.729 12.000 -2.741 1.00 0.00 O ATOM 660 CB ARG A 70 6.566 12.675 -0.487 1.00 0.00 C ATOM 661 CG ARG A 70 5.153 12.667 0.078 1.00 0.00 C ATOM 662 CD ARG A 70 5.157 12.507 1.592 1.00 0.00 C ATOM 663 NE ARG A 70 5.473 13.762 2.276 1.00 0.00 N ATOM 664 CZ ARG A 70 5.223 13.993 3.566 1.00 0.00 C ATOM 665 NH1 ARG A 70 4.670 13.053 4.325 1.00 0.00 N ATOM 666 NH2 ARG A 70 5.531 15.170 4.100 1.00 0.00 N ATOM 0 H ARG A 70 6.348 10.385 0.479 1.00 0.00 H new ATOM 0 HA ARG A 70 6.300 11.370 -2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.275 12.797 0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.682 13.540 -1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.648 13.595 -0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.584 11.854 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.181 12.151 1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.886 11.747 1.874 1.00 0.00 H new ATOM 0 HE ARG A 70 5.911 14.506 1.733 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.433 12.146 3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.482 13.238 5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.958 15.895 3.524 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.340 15.348 5.086 1.00 0.00 H new ATOM 680 N GLN A 71 9.263 10.838 -0.881 1.00 0.00 N ATOM 681 CA GLN A 71 10.693 10.776 -1.176 1.00 0.00 C ATOM 682 C GLN A 71 11.058 9.444 -1.845 1.00 0.00 C ATOM 683 O GLN A 71 12.096 8.848 -1.545 1.00 0.00 O ATOM 684 CB GLN A 71 11.506 10.965 0.109 1.00 0.00 C ATOM 685 CG GLN A 71 11.359 12.347 0.726 1.00 0.00 C ATOM 686 CD GLN A 71 12.054 12.460 2.069 1.00 0.00 C ATOM 687 OE1 GLN A 71 13.232 12.810 2.144 1.00 0.00 O ATOM 688 NE2 GLN A 71 11.327 12.158 3.140 1.00 0.00 N ATOM 0 H GLN A 71 8.997 10.384 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 71 10.934 11.582 -1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.196 10.216 0.838 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.559 10.783 -0.107 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.770 13.091 0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.300 12.576 0.848 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.354 11.872 3.032 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.742 12.212 4.070 1.00 0.00 H new ATOM 697 N TRP A 72 10.196 8.986 -2.756 1.00 0.00 N ATOM 698 CA TRP A 72 10.419 7.738 -3.483 1.00 0.00 C ATOM 699 C TRP A 72 10.683 8.011 -4.957 1.00 0.00 C ATOM 700 O TRP A 72 10.499 9.136 -5.429 1.00 0.00 O ATOM 701 CB TRP A 72 9.190 6.833 -3.372 1.00 0.00 C ATOM 702 CG TRP A 72 9.185 5.934 -2.179 1.00 0.00 C ATOM 703 CD1 TRP A 72 9.994 6.006 -1.083 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.318 4.819 -1.968 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.680 4.999 -0.203 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.654 4.257 -0.725 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.288 4.243 -2.715 1.00 0.00 C ATOM 708 CZ2 TRP A 72 7.995 3.145 -0.210 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.635 3.139 -2.205 1.00 0.00 C ATOM 710 CH2 TRP A 72 6.990 2.601 -0.964 1.00 0.00 C ATOM 0 H TRP A 72 9.332 9.466 -3.008 1.00 0.00 H new ATOM 0 HA TRP A 72 11.287 7.248 -3.041 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.297 7.457 -3.344 1.00 0.00 H new ATOM 0 HB3 TRP A 72 9.123 6.221 -4.272 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.767 6.745 -0.930 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.137 4.831 0.693 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.008 4.654 -3.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.266 2.727 0.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.837 2.684 -2.773 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.459 1.737 -0.592 1.00 0.00 H new ATOM 721 N THR A 73 11.112 6.982 -5.686 1.00 0.00 N ATOM 722 CA THR A 73 11.350 7.118 -7.118 1.00 0.00 C ATOM 723 C THR A 73 10.622 6.009 -7.877 1.00 0.00 C ATOM 724 O THR A 73 9.931 5.191 -7.268 1.00 0.00 O ATOM 725 CB THR A 73 12.854 7.092 -7.466 1.00 0.00 C ATOM 726 OG1 THR A 73 13.382 5.773 -7.266 1.00 0.00 O ATOM 727 CG2 THR A 73 13.629 8.079 -6.608 1.00 0.00 C ATOM 0 H THR A 73 11.300 6.053 -5.310 1.00 0.00 H new ATOM 0 HA THR A 73 10.961 8.090 -7.421 1.00 0.00 H new ATOM 0 HB THR A 73 12.962 7.377 -8.512 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.336 5.765 -7.491 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.685 8.041 -6.873 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.249 9.086 -6.778 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.509 7.819 -5.556 1.00 0.00 H new ATOM 735 N GLU A 74 10.772 5.981 -9.201 1.00 0.00 N ATOM 736 CA GLU A 74 10.114 4.963 -10.024 1.00 0.00 C ATOM 737 C GLU A 74 10.415 3.553 -9.513 1.00 0.00 C ATOM 738 O GLU A 74 9.534 2.691 -9.503 1.00 0.00 O ATOM 739 CB GLU A 74 10.549 5.090 -11.486 1.00 0.00 C ATOM 740 CG GLU A 74 10.198 6.429 -12.114 1.00 0.00 C ATOM 741 CD GLU A 74 10.558 6.498 -13.585 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.721 6.833 -13.897 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.678 6.218 -14.425 1.00 0.00 O ATOM 0 H GLU A 74 11.340 6.647 -9.725 1.00 0.00 H new ATOM 0 HA GLU A 74 9.039 5.129 -9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.627 4.940 -11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.082 4.293 -12.065 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.130 6.612 -11.997 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.718 7.224 -11.579 1.00 0.00 H new ATOM 750 N THR A 75 11.659 3.328 -9.083 1.00 0.00 N ATOM 751 CA THR A 75 12.073 2.024 -8.574 1.00 0.00 C ATOM 752 C THR A 75 11.365 1.681 -7.262 1.00 0.00 C ATOM 753 O THR A 75 10.824 0.587 -7.114 1.00 0.00 O ATOM 754 CB THR A 75 13.599 1.964 -8.357 1.00 0.00 C ATOM 755 OG1 THR A 75 14.281 2.351 -9.556 1.00 0.00 O ATOM 756 CG2 THR A 75 14.038 0.563 -7.953 1.00 0.00 C ATOM 0 H THR A 75 12.395 4.034 -9.078 1.00 0.00 H new ATOM 0 HA THR A 75 11.790 1.291 -9.330 1.00 0.00 H new ATOM 0 HB THR A 75 13.853 2.654 -7.552 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.249 2.312 -9.409 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.118 0.548 -7.806 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.542 0.280 -7.025 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.769 -0.143 -8.738 1.00 0.00 H new ATOM 764 N HIS A 76 11.378 2.620 -6.310 1.00 0.00 N ATOM 765 CA HIS A 76 10.736 2.408 -5.008 1.00 0.00 C ATOM 766 C HIS A 76 9.235 2.177 -5.170 1.00 0.00 C ATOM 767 O HIS A 76 8.660 1.303 -4.519 1.00 0.00 O ATOM 768 CB HIS A 76 10.980 3.598 -4.074 1.00 0.00 C ATOM 769 CG HIS A 76 12.430 3.886 -3.820 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.868 5.009 -3.152 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.547 3.191 -4.152 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.187 4.996 -3.086 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.623 3.904 -3.683 1.00 0.00 N ATOM 0 H HIS A 76 11.824 3.531 -6.416 1.00 0.00 H new ATOM 0 HA HIS A 76 11.182 1.518 -4.564 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.514 4.485 -4.503 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.486 3.407 -3.122 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.583 2.253 -4.685 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.804 5.751 -2.622 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.601 3.633 -3.781 1.00 0.00 H new ATOM 782 N VAL A 77 8.607 2.971 -6.039 1.00 0.00 N ATOM 783 CA VAL A 77 7.176 2.856 -6.308 1.00 0.00 C ATOM 784 C VAL A 77 6.832 1.476 -6.865 1.00 0.00 C ATOM 785 O VAL A 77 5.954 0.786 -6.347 1.00 0.00 O ATOM 786 CB VAL A 77 6.715 3.933 -7.317 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.296 3.654 -7.801 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.804 5.317 -6.689 1.00 0.00 C ATOM 0 H VAL A 77 9.073 3.706 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 77 6.657 3.002 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 77 7.378 3.899 -8.181 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.995 4.426 -8.510 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.263 2.680 -8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.614 3.657 -6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.476 6.066 -7.410 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.164 5.358 -5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.835 5.519 -6.399 1.00 0.00 H new ATOM 798 N ARG A 78 7.547 1.088 -7.922 1.00 0.00 N ATOM 799 CA ARG A 78 7.333 -0.195 -8.585 1.00 0.00 C ATOM 800 C ARG A 78 7.718 -1.367 -7.685 1.00 0.00 C ATOM 801 O ARG A 78 6.961 -2.333 -7.572 1.00 0.00 O ATOM 802 CB ARG A 78 8.131 -0.243 -9.888 1.00 0.00 C ATOM 803 CG ARG A 78 7.941 -1.521 -10.686 1.00 0.00 C ATOM 804 CD ARG A 78 8.777 -1.503 -11.955 1.00 0.00 C ATOM 805 NE ARG A 78 8.325 -0.475 -12.896 1.00 0.00 N ATOM 806 CZ ARG A 78 8.871 0.741 -13.006 1.00 0.00 C ATOM 807 NH1 ARG A 78 9.897 1.101 -12.235 1.00 0.00 N ATOM 808 NH2 ARG A 78 8.387 1.604 -13.891 1.00 0.00 N ATOM 0 H ARG A 78 8.287 1.653 -8.339 1.00 0.00 H new ATOM 0 HA ARG A 78 6.270 -0.287 -8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.844 0.606 -10.509 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.190 -0.126 -9.657 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.220 -2.380 -10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.888 -1.640 -10.942 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.821 -1.326 -11.698 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.728 -2.480 -12.435 1.00 0.00 H new ATOM 0 HE ARG A 78 7.541 -0.702 -13.508 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.275 0.446 -11.551 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.304 2.032 -12.329 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.601 1.339 -14.485 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.801 2.532 -13.977 1.00 0.00 H new ATOM 822 N ASP A 79 8.888 -1.288 -7.047 1.00 0.00 N ATOM 823 CA ASP A 79 9.342 -2.364 -6.166 1.00 0.00 C ATOM 824 C ASP A 79 8.350 -2.587 -5.024 1.00 0.00 C ATOM 825 O ASP A 79 8.076 -3.729 -4.650 1.00 0.00 O ATOM 826 CB ASP A 79 10.738 -2.073 -5.609 1.00 0.00 C ATOM 827 CG ASP A 79 11.258 -3.203 -4.739 1.00 0.00 C ATOM 828 OD1 ASP A 79 11.740 -4.209 -5.300 1.00 0.00 O ATOM 829 OD2 ASP A 79 11.179 -3.085 -3.499 1.00 0.00 O ATOM 0 H ASP A 79 9.531 -0.500 -7.123 1.00 0.00 H new ATOM 0 HA ASP A 79 9.397 -3.276 -6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.429 -1.906 -6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.710 -1.152 -5.026 1.00 0.00 H new ATOM 834 N TRP A 80 7.822 -1.492 -4.467 1.00 0.00 N ATOM 835 CA TRP A 80 6.849 -1.594 -3.384 1.00 0.00 C ATOM 836 C TRP A 80 5.595 -2.296 -3.902 1.00 0.00 C ATOM 837 O TRP A 80 5.228 -3.361 -3.407 1.00 0.00 O ATOM 838 CB TRP A 80 6.510 -0.214 -2.805 1.00 0.00 C ATOM 839 CG TRP A 80 5.198 -0.176 -2.078 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.898 -0.775 -0.888 1.00 0.00 C ATOM 841 CD2 TRP A 80 4.005 0.489 -2.504 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.591 -0.522 -0.549 1.00 0.00 N ATOM 843 CE2 TRP A 80 3.023 0.253 -1.526 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.673 1.265 -3.619 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.731 0.762 -1.631 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.392 1.770 -3.721 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.436 1.517 -2.732 1.00 0.00 C ATOM 0 H TRP A 80 8.051 -0.538 -4.746 1.00 0.00 H new ATOM 0 HA TRP A 80 7.281 -2.181 -2.573 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.304 0.090 -2.122 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.489 0.516 -3.614 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.588 -1.362 -0.299 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.121 -0.856 0.292 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.406 1.466 -4.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.989 0.567 -0.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.124 2.370 -4.578 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.443 1.927 -2.840 1.00 0.00 H new ATOM 858 N VAL A 81 4.930 -1.670 -4.882 1.00 0.00 N ATOM 859 CA VAL A 81 3.743 -2.251 -5.513 1.00 0.00 C ATOM 860 C VAL A 81 3.936 -3.751 -5.747 1.00 0.00 C ATOM 861 O VAL A 81 3.083 -4.557 -5.382 1.00 0.00 O ATOM 862 CB VAL A 81 3.428 -1.562 -6.864 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.318 -2.292 -7.608 1.00 0.00 C ATOM 864 CG2 VAL A 81 3.049 -0.106 -6.647 1.00 0.00 C ATOM 0 H VAL A 81 5.197 -0.759 -5.254 1.00 0.00 H new ATOM 0 HA VAL A 81 2.905 -2.093 -4.834 1.00 0.00 H new ATOM 0 HB VAL A 81 4.329 -1.601 -7.476 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.119 -1.785 -8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.626 -3.319 -7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.413 -2.295 -7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.831 0.360 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.167 -0.051 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.876 0.418 -6.168 1.00 0.00 H new ATOM 874 N MET A 82 5.074 -4.109 -6.350 1.00 0.00 N ATOM 875 CA MET A 82 5.405 -5.507 -6.626 1.00 0.00 C ATOM 876 C MET A 82 5.363 -6.339 -5.344 1.00 0.00 C ATOM 877 O MET A 82 4.721 -7.389 -5.295 1.00 0.00 O ATOM 878 CB MET A 82 6.797 -5.601 -7.260 1.00 0.00 C ATOM 879 CG MET A 82 7.174 -7.001 -7.719 1.00 0.00 C ATOM 880 SD MET A 82 6.205 -7.558 -9.136 1.00 0.00 S ATOM 881 CE MET A 82 6.751 -6.406 -10.394 1.00 0.00 C ATOM 0 H MET A 82 5.784 -3.444 -6.657 1.00 0.00 H new ATOM 0 HA MET A 82 4.664 -5.903 -7.320 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.842 -4.925 -8.114 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.538 -5.254 -6.539 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.232 -7.020 -7.978 1.00 0.00 H new ATOM 0 HG3 MET A 82 7.035 -7.699 -6.893 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.096 -6.478 -11.262 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.717 -5.391 -9.997 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.772 -6.646 -10.689 1.00 0.00 H new ATOM 891 N TRP A 83 6.055 -5.852 -4.310 1.00 0.00 N ATOM 892 CA TRP A 83 6.106 -6.527 -3.013 1.00 0.00 C ATOM 893 C TRP A 83 4.699 -6.775 -2.457 1.00 0.00 C ATOM 894 O TRP A 83 4.431 -7.835 -1.890 1.00 0.00 O ATOM 895 CB TRP A 83 6.934 -5.693 -2.024 1.00 0.00 C ATOM 896 CG TRP A 83 6.754 -6.096 -0.591 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.470 -7.034 0.096 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.788 -5.575 0.328 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.009 -7.126 1.386 1.00 0.00 N ATOM 900 CE2 TRP A 83 5.976 -6.240 1.553 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.784 -4.607 0.232 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.194 -5.969 2.673 1.00 0.00 C ATOM 903 CZ3 TRP A 83 4.010 -4.340 1.344 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.218 -5.018 2.551 1.00 0.00 C ATOM 0 H TRP A 83 6.591 -4.985 -4.349 1.00 0.00 H new ATOM 0 HA TRP A 83 6.582 -7.498 -3.151 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.989 -5.778 -2.286 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.663 -4.643 -2.133 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.280 -7.618 -0.315 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.375 -7.752 2.103 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.617 -4.078 -0.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.352 -6.491 3.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.231 -3.595 1.281 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.596 -4.786 3.403 1.00 0.00 H new ATOM 915 N ALA A 84 3.805 -5.798 -2.628 1.00 0.00 N ATOM 916 CA ALA A 84 2.432 -5.924 -2.142 1.00 0.00 C ATOM 917 C ALA A 84 1.665 -6.942 -2.982 1.00 0.00 C ATOM 918 O ALA A 84 0.999 -7.827 -2.448 1.00 0.00 O ATOM 919 CB ALA A 84 1.731 -4.574 -2.157 1.00 0.00 C ATOM 0 H ALA A 84 4.007 -4.915 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 84 2.460 -6.278 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.711 -4.690 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.270 -3.877 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.710 -4.186 -3.175 1.00 0.00 H new ATOM 925 N VAL A 85 1.766 -6.795 -4.304 1.00 0.00 N ATOM 926 CA VAL A 85 1.111 -7.704 -5.244 1.00 0.00 C ATOM 927 C VAL A 85 1.463 -9.167 -4.947 1.00 0.00 C ATOM 928 O VAL A 85 0.661 -10.066 -5.201 1.00 0.00 O ATOM 929 CB VAL A 85 1.500 -7.367 -6.702 1.00 0.00 C ATOM 930 CG1 VAL A 85 0.970 -8.418 -7.666 1.00 0.00 C ATOM 931 CG2 VAL A 85 0.986 -5.987 -7.084 1.00 0.00 C ATOM 0 H VAL A 85 2.300 -6.049 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 85 0.036 -7.572 -5.121 1.00 0.00 H new ATOM 0 HB VAL A 85 2.588 -7.365 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.258 -8.156 -8.684 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.389 -9.391 -7.409 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.117 -8.461 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.268 -5.766 -8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.100 -5.965 -6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.421 -5.240 -6.420 1.00 0.00 H new ATOM 941 N ASN A 86 2.666 -9.400 -4.412 1.00 0.00 N ATOM 942 CA ASN A 86 3.118 -10.751 -4.082 1.00 0.00 C ATOM 943 C ASN A 86 2.576 -11.204 -2.724 1.00 0.00 C ATOM 944 O ASN A 86 2.067 -12.320 -2.596 1.00 0.00 O ATOM 945 CB ASN A 86 4.650 -10.815 -4.079 1.00 0.00 C ATOM 946 CG ASN A 86 5.252 -10.520 -5.442 1.00 0.00 C ATOM 947 OD1 ASN A 86 4.656 -10.822 -6.477 1.00 0.00 O ATOM 948 ND2 ASN A 86 6.440 -9.923 -5.452 1.00 0.00 N ATOM 0 H ASN A 86 3.343 -8.668 -4.199 1.00 0.00 H new ATOM 0 HA ASN A 86 2.731 -11.426 -4.846 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.038 -10.101 -3.353 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.967 -11.805 -3.753 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.891 -9.699 -6.339 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.901 -9.689 -4.573 1.00 0.00 H new ATOM 955 N GLU A 87 2.685 -10.336 -1.716 1.00 0.00 N ATOM 956 CA GLU A 87 2.207 -10.649 -0.366 1.00 0.00 C ATOM 957 C GLU A 87 0.683 -10.788 -0.327 1.00 0.00 C ATOM 958 O GLU A 87 0.147 -11.574 0.457 1.00 0.00 O ATOM 959 CB GLU A 87 2.651 -9.568 0.626 1.00 0.00 C ATOM 960 CG GLU A 87 4.161 -9.449 0.778 1.00 0.00 C ATOM 961 CD GLU A 87 4.798 -10.703 1.347 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.180 -11.588 0.552 1.00 0.00 O ATOM 963 OE2 GLU A 87 4.918 -10.798 2.586 1.00 0.00 O ATOM 0 H GLU A 87 3.101 -9.409 -1.809 1.00 0.00 H new ATOM 0 HA GLU A 87 2.646 -11.605 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.252 -8.607 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.214 -9.783 1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.603 -9.232 -0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.390 -8.604 1.428 1.00 0.00 H new ATOM 970 N PHE A 88 -0.006 -10.026 -1.176 1.00 0.00 N ATOM 971 CA PHE A 88 -1.467 -10.060 -1.237 1.00 0.00 C ATOM 972 C PHE A 88 -1.974 -10.808 -2.476 1.00 0.00 C ATOM 973 O PHE A 88 -3.185 -10.897 -2.687 1.00 0.00 O ATOM 974 CB PHE A 88 -2.027 -8.634 -1.241 1.00 0.00 C ATOM 975 CG PHE A 88 -1.822 -7.896 0.053 1.00 0.00 C ATOM 976 CD1 PHE A 88 -0.679 -7.139 0.262 1.00 0.00 C ATOM 977 CD2 PHE A 88 -2.773 -7.958 1.058 1.00 0.00 C ATOM 978 CE1 PHE A 88 -0.490 -6.459 1.449 1.00 0.00 C ATOM 979 CE2 PHE A 88 -2.590 -7.278 2.246 1.00 0.00 C ATOM 980 CZ PHE A 88 -1.447 -6.528 2.442 1.00 0.00 C ATOM 0 H PHE A 88 0.426 -9.376 -1.833 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.815 -10.596 -0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.556 -8.071 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.094 -8.674 -1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.072 -7.081 -0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.668 -8.545 0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.405 -5.874 1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.340 -7.333 3.021 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.302 -5.996 3.371 1.00 0.00 H new ATOM 990 N SER A 89 -1.052 -11.358 -3.282 1.00 0.00 N ATOM 991 CA SER A 89 -1.421 -12.080 -4.503 1.00 0.00 C ATOM 992 C SER A 89 -2.481 -11.304 -5.289 1.00 0.00 C ATOM 993 O SER A 89 -3.584 -11.801 -5.533 1.00 0.00 O ATOM 994 CB SER A 89 -1.929 -13.485 -4.158 1.00 0.00 C ATOM 995 OG SER A 89 -0.925 -14.247 -3.510 1.00 0.00 O ATOM 0 H SER A 89 -0.048 -11.315 -3.108 1.00 0.00 H new ATOM 0 HA SER A 89 -0.534 -12.176 -5.129 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.805 -13.410 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.245 -13.994 -5.068 1.00 0.00 H new ATOM 0 HG SER A 89 -1.275 -15.138 -3.299 1.00 0.00 H new ATOM 1001 N LEU A 90 -2.132 -10.079 -5.685 1.00 0.00 N ATOM 1002 CA LEU A 90 -3.050 -9.218 -6.422 1.00 0.00 C ATOM 1003 C LEU A 90 -2.972 -9.475 -7.925 1.00 0.00 C ATOM 1004 O LEU A 90 -1.938 -9.908 -8.439 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.750 -7.747 -6.115 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.781 -7.376 -4.628 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.483 -5.896 -4.437 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -4.128 -7.735 -4.017 1.00 0.00 C ATOM 0 H LEU A 90 -1.218 -9.663 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.065 -9.451 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.766 -7.501 -6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.473 -7.126 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.007 -7.948 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.510 -5.654 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.494 -5.670 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.231 -5.303 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.132 -7.465 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.919 -7.191 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.299 -8.807 -4.118 1.00 0.00 H new ATOM 1020 N LYS A 91 -4.073 -9.202 -8.625 1.00 0.00 N ATOM 1021 CA LYS A 91 -4.140 -9.406 -10.071 1.00 0.00 C ATOM 1022 C LYS A 91 -4.746 -8.198 -10.785 1.00 0.00 C ATOM 1023 O LYS A 91 -5.494 -7.418 -10.190 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.942 -10.675 -10.405 1.00 0.00 C ATOM 1025 CG LYS A 91 -6.125 -10.940 -9.481 1.00 0.00 C ATOM 1026 CD LYS A 91 -7.179 -9.845 -9.570 1.00 0.00 C ATOM 1027 CE LYS A 91 -8.418 -10.191 -8.756 1.00 0.00 C ATOM 1028 NZ LYS A 91 -9.147 -11.366 -9.311 1.00 0.00 N ATOM 0 H LYS A 91 -4.932 -8.838 -8.213 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.118 -9.529 -10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.308 -10.599 -11.429 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.271 -11.533 -10.369 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.576 -11.899 -9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.771 -11.019 -8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.759 -8.905 -9.212 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.459 -9.693 -10.612 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.127 -10.399 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.086 -9.330 -8.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.093 -11.422 -8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.240 -11.262 -10.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.618 -12.235 -9.097 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.404 -8.048 -12.067 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.916 -6.940 -12.860 1.00 0.00 C ATOM 1044 C GLY A 92 -4.167 -5.631 -12.640 1.00 0.00 C ATOM 1045 O GLY A 92 -4.409 -4.655 -13.352 1.00 0.00 O ATOM 0 H GLY A 92 -3.779 -8.678 -12.571 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.863 -7.206 -13.916 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.969 -6.790 -12.621 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.253 -5.603 -11.662 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.486 -4.396 -11.366 1.00 0.00 C ATOM 1051 C VAL A 93 -1.413 -4.156 -12.423 1.00 0.00 C ATOM 1052 O VAL A 93 -0.668 -5.069 -12.788 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.833 -4.468 -9.967 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.786 -5.572 -9.908 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.225 -3.124 -9.586 1.00 0.00 C ATOM 0 H VAL A 93 -3.030 -6.401 -11.067 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.187 -3.561 -11.377 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.613 -4.707 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.343 -5.600 -8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.256 -6.531 -10.123 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.008 -5.376 -10.646 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.771 -3.197 -8.598 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.464 -2.849 -10.316 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.005 -2.363 -9.571 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.344 -2.921 -12.914 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.373 -2.556 -13.937 1.00 0.00 C ATOM 1067 C ASP A 94 0.771 -1.734 -13.350 1.00 0.00 C ATOM 1068 O ASP A 94 0.545 -0.775 -12.609 1.00 0.00 O ATOM 1069 CB ASP A 94 -1.063 -1.764 -15.050 1.00 0.00 C ATOM 1070 CG ASP A 94 -2.129 -2.572 -15.764 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -1.789 -3.275 -16.739 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -3.305 -2.503 -15.346 1.00 0.00 O ATOM 0 H ASP A 94 -1.951 -2.156 -12.618 1.00 0.00 H new ATOM 0 HA ASP A 94 0.046 -3.475 -14.347 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.515 -0.867 -14.626 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.317 -1.434 -15.773 1.00 0.00 H new ATOM 1077 N PHE A 95 2.000 -2.119 -13.692 1.00 0.00 N ATOM 1078 CA PHE A 95 3.187 -1.412 -13.220 1.00 0.00 C ATOM 1079 C PHE A 95 3.525 -0.254 -14.159 1.00 0.00 C ATOM 1080 O PHE A 95 4.155 0.721 -13.746 1.00 0.00 O ATOM 1081 CB PHE A 95 4.371 -2.370 -13.076 1.00 0.00 C ATOM 1082 CG PHE A 95 4.184 -3.374 -11.974 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.583 -3.082 -10.680 1.00 0.00 C ATOM 1084 CD2 PHE A 95 3.599 -4.605 -12.230 1.00 0.00 C ATOM 1085 CE1 PHE A 95 4.404 -3.999 -9.662 1.00 0.00 C ATOM 1086 CE2 PHE A 95 3.417 -5.524 -11.216 1.00 0.00 C ATOM 1087 CZ PHE A 95 3.818 -5.221 -9.930 1.00 0.00 C ATOM 0 H PHE A 95 2.198 -2.918 -14.295 1.00 0.00 H new ATOM 0 HA PHE A 95 2.974 -0.999 -12.234 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.521 -2.897 -14.018 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.276 -1.794 -12.885 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.039 -2.127 -10.464 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.282 -4.847 -13.234 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.722 -3.761 -8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.961 -6.480 -11.429 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.674 -5.938 -9.135 1.00 0.00 H new ATOM 1097 N GLN A 96 3.107 -0.370 -15.425 1.00 0.00 N ATOM 1098 CA GLN A 96 3.319 0.692 -16.404 1.00 0.00 C ATOM 1099 C GLN A 96 2.583 1.953 -15.947 1.00 0.00 C ATOM 1100 O GLN A 96 3.042 3.074 -16.176 1.00 0.00 O ATOM 1101 CB GLN A 96 2.813 0.253 -17.782 1.00 0.00 C ATOM 1102 CG GLN A 96 3.186 1.206 -18.907 1.00 0.00 C ATOM 1103 CD GLN A 96 4.687 1.320 -19.107 1.00 0.00 C ATOM 1104 OE1 GLN A 96 5.282 0.558 -19.869 1.00 0.00 O ATOM 1105 NE2 GLN A 96 5.310 2.277 -18.424 1.00 0.00 N ATOM 0 H GLN A 96 2.621 -1.189 -15.791 1.00 0.00 H new ATOM 0 HA GLN A 96 4.385 0.904 -16.482 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.214 -0.735 -18.008 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.728 0.156 -17.746 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.725 0.865 -19.834 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.777 2.193 -18.692 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.780 2.888 -17.803 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.318 2.400 -18.522 1.00 0.00 H new ATOM 1114 N LYS A 97 1.432 1.747 -15.296 1.00 0.00 N ATOM 1115 CA LYS A 97 0.621 2.837 -14.759 1.00 0.00 C ATOM 1116 C LYS A 97 1.355 3.547 -13.619 1.00 0.00 C ATOM 1117 O LYS A 97 1.230 4.762 -13.454 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.714 2.288 -14.240 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.557 1.602 -15.306 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.938 2.560 -16.423 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.873 1.903 -17.426 1.00 0.00 C ATOM 1122 NZ LYS A 97 -3.273 2.841 -18.513 1.00 0.00 N ATOM 0 H LYS A 97 1.040 0.820 -15.129 1.00 0.00 H new ATOM 0 HA LYS A 97 0.437 3.553 -15.560 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.516 1.579 -13.436 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.289 3.107 -13.808 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.004 0.760 -15.722 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.460 1.196 -14.850 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.419 3.442 -15.999 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.038 2.902 -16.933 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.384 1.031 -17.861 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.764 1.544 -16.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.910 2.354 -19.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.763 3.661 -18.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.426 3.164 -19.022 1.00 0.00 H new ATOM 1136 N PHE A 98 2.119 2.777 -12.834 1.00 0.00 N ATOM 1137 CA PHE A 98 2.875 3.328 -11.710 1.00 0.00 C ATOM 1138 C PHE A 98 4.337 3.584 -12.090 1.00 0.00 C ATOM 1139 O PHE A 98 5.233 3.459 -11.251 1.00 0.00 O ATOM 1140 CB PHE A 98 2.809 2.378 -10.507 1.00 0.00 C ATOM 1141 CG PHE A 98 1.418 2.161 -9.976 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.599 3.240 -9.683 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.934 0.880 -9.769 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.677 3.045 -9.193 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.343 0.679 -9.278 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.149 1.763 -8.991 1.00 0.00 C ATOM 0 H PHE A 98 2.228 1.771 -12.959 1.00 0.00 H new ATOM 0 HA PHE A 98 2.421 4.282 -11.442 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.232 1.415 -10.793 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.434 2.776 -9.708 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.963 4.245 -9.840 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.560 0.029 -9.993 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.305 3.894 -8.968 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.710 -0.324 -9.119 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.147 1.608 -8.609 1.00 0.00 H new ATOM 1156 N CYS A 99 4.577 3.946 -13.355 1.00 0.00 N ATOM 1157 CA CYS A 99 5.931 4.223 -13.827 1.00 0.00 C ATOM 1158 C CYS A 99 6.308 5.677 -13.529 1.00 0.00 C ATOM 1159 O CYS A 99 6.506 6.484 -14.441 1.00 0.00 O ATOM 1160 CB CYS A 99 6.042 3.932 -15.329 1.00 0.00 C ATOM 1161 SG CYS A 99 7.708 4.126 -16.005 1.00 0.00 S ATOM 0 H CYS A 99 3.852 4.053 -14.065 1.00 0.00 H new ATOM 0 HA CYS A 99 6.627 3.571 -13.299 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.704 2.913 -15.515 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.365 4.596 -15.867 1.00 0.00 H new ATOM 0 HG CYS A 99 8.372 4.981 -15.285 1.00 0.00 H new ATOM 1167 N MET A 100 6.397 6.001 -12.239 1.00 0.00 N ATOM 1168 CA MET A 100 6.741 7.351 -11.800 1.00 0.00 C ATOM 1169 C MET A 100 7.276 7.338 -10.368 1.00 0.00 C ATOM 1170 O MET A 100 7.195 6.323 -9.674 1.00 0.00 O ATOM 1171 CB MET A 100 5.514 8.265 -11.892 1.00 0.00 C ATOM 1172 CG MET A 100 4.492 8.033 -10.788 1.00 0.00 C ATOM 1173 SD MET A 100 2.895 8.791 -11.143 1.00 0.00 S ATOM 1174 CE MET A 100 2.241 7.647 -12.355 1.00 0.00 C ATOM 0 H MET A 100 6.234 5.342 -11.477 1.00 0.00 H new ATOM 0 HA MET A 100 7.522 7.734 -12.456 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.843 9.304 -11.858 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.032 8.115 -12.858 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.356 6.961 -10.644 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.879 8.434 -9.851 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.888 8.201 -13.225 1.00 0.00 H new ATOM 0 HE2 MET A 100 3.024 6.953 -12.660 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.412 7.089 -11.919 1.00 0.00 H new ATOM 1184 N SER A 101 7.818 8.474 -9.932 1.00 0.00 N ATOM 1185 CA SER A 101 8.367 8.596 -8.584 1.00 0.00 C ATOM 1186 C SER A 101 7.257 8.711 -7.540 1.00 0.00 C ATOM 1187 O SER A 101 6.111 9.029 -7.869 1.00 0.00 O ATOM 1188 CB SER A 101 9.304 9.804 -8.491 1.00 0.00 C ATOM 1189 OG SER A 101 10.448 9.627 -9.308 1.00 0.00 O ATOM 0 H SER A 101 7.888 9.323 -10.493 1.00 0.00 H new ATOM 0 HA SER A 101 8.936 7.690 -8.376 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.772 10.705 -8.796 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.612 9.950 -7.456 1.00 0.00 H new ATOM 0 HG SER A 101 11.029 10.413 -9.232 1.00 0.00 H new ATOM 1195 N GLY A 102 7.608 8.447 -6.282 1.00 0.00 N ATOM 1196 CA GLY A 102 6.644 8.517 -5.196 1.00 0.00 C ATOM 1197 C GLY A 102 6.002 9.886 -5.066 1.00 0.00 C ATOM 1198 O GLY A 102 4.809 9.987 -4.779 1.00 0.00 O ATOM 0 H GLY A 102 8.551 8.184 -5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.867 7.770 -5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.140 8.263 -4.259 1.00 0.00 H new ATOM 1202 N ALA A 103 6.794 10.942 -5.275 1.00 0.00 N ATOM 1203 CA ALA A 103 6.288 12.311 -5.195 1.00 0.00 C ATOM 1204 C ALA A 103 5.102 12.503 -6.140 1.00 0.00 C ATOM 1205 O ALA A 103 4.130 13.180 -5.802 1.00 0.00 O ATOM 1206 CB ALA A 103 7.393 13.304 -5.521 1.00 0.00 C ATOM 0 H ALA A 103 7.786 10.873 -5.500 1.00 0.00 H new ATOM 0 HA ALA A 103 5.947 12.493 -4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.001 14.319 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.210 13.186 -4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.761 13.120 -6.530 1.00 0.00 H new ATOM 1212 N ALA A 104 5.193 11.894 -7.326 1.00 0.00 N ATOM 1213 CA ALA A 104 4.130 11.977 -8.322 1.00 0.00 C ATOM 1214 C ALA A 104 2.937 11.121 -7.907 1.00 0.00 C ATOM 1215 O ALA A 104 1.790 11.556 -7.996 1.00 0.00 O ATOM 1216 CB ALA A 104 4.645 11.534 -9.683 1.00 0.00 C ATOM 0 H ALA A 104 5.997 11.337 -7.617 1.00 0.00 H new ATOM 0 HA ALA A 104 3.804 13.015 -8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.841 11.601 -10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.469 12.179 -9.988 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.995 10.503 -9.622 1.00 0.00 H new ATOM 1222 N LEU A 105 3.228 9.899 -7.453 1.00 0.00 N ATOM 1223 CA LEU A 105 2.199 8.961 -7.011 1.00 0.00 C ATOM 1224 C LEU A 105 1.328 9.573 -5.910 1.00 0.00 C ATOM 1225 O LEU A 105 0.100 9.484 -5.965 1.00 0.00 O ATOM 1226 CB LEU A 105 2.852 7.669 -6.511 1.00 0.00 C ATOM 1227 CG LEU A 105 1.925 6.458 -6.427 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.494 6.015 -7.818 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.611 5.316 -5.689 1.00 0.00 C ATOM 0 H LEU A 105 4.179 9.536 -7.383 1.00 0.00 H new ATOM 0 HA LEU A 105 1.556 8.734 -7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.684 7.423 -7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.272 7.853 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 105 1.033 6.744 -5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.834 5.151 -7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.965 6.830 -8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.373 5.746 -8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.938 4.460 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.519 5.032 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.868 5.637 -4.680 1.00 0.00 H new ATOM 1241 N CYS A 106 1.969 10.188 -4.913 1.00 0.00 N ATOM 1242 CA CYS A 106 1.248 10.824 -3.810 1.00 0.00 C ATOM 1243 C CYS A 106 0.453 12.034 -4.306 1.00 0.00 C ATOM 1244 O CYS A 106 -0.670 12.274 -3.859 1.00 0.00 O ATOM 1245 CB CYS A 106 2.221 11.253 -2.708 1.00 0.00 C ATOM 1246 SG CYS A 106 3.038 9.878 -1.866 1.00 0.00 S ATOM 0 H CYS A 106 2.984 10.258 -4.848 1.00 0.00 H new ATOM 0 HA CYS A 106 0.550 10.095 -3.399 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.981 11.902 -3.142 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.679 11.846 -1.971 1.00 0.00 H new ATOM 0 HG CYS A 106 3.958 9.381 -2.638 1.00 0.00 H new ATOM 1252 N ALA A 107 1.047 12.789 -5.235 1.00 0.00 N ATOM 1253 CA ALA A 107 0.399 13.969 -5.809 1.00 0.00 C ATOM 1254 C ALA A 107 -0.849 13.588 -6.610 1.00 0.00 C ATOM 1255 O ALA A 107 -1.787 14.380 -6.721 1.00 0.00 O ATOM 1256 CB ALA A 107 1.380 14.730 -6.692 1.00 0.00 C ATOM 0 H ALA A 107 1.979 12.602 -5.606 1.00 0.00 H new ATOM 0 HA ALA A 107 0.085 14.612 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.886 15.606 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.236 15.047 -6.096 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.721 14.082 -7.499 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.852 12.374 -7.166 1.00 0.00 N ATOM 1263 CA LEU A 108 -1.979 11.882 -7.957 1.00 0.00 C ATOM 1264 C LEU A 108 -3.240 11.704 -7.107 1.00 0.00 C ATOM 1265 O LEU A 108 -4.355 11.902 -7.592 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.617 10.551 -8.623 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.670 10.660 -9.822 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.286 9.277 -10.319 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.311 11.471 -10.939 1.00 0.00 C ATOM 0 H LEU A 108 -0.081 11.712 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.191 12.631 -8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.160 9.902 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.536 10.064 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 108 0.235 11.176 -9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.387 9.371 -11.171 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.214 8.729 -9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.183 8.737 -10.623 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.623 11.537 -11.782 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.232 10.984 -11.260 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.538 12.474 -10.577 1.00 0.00 H new ATOM 1281 N GLY A 109 -3.055 11.339 -5.835 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.184 11.127 -4.946 1.00 0.00 C ATOM 1283 C GLY A 109 -4.829 9.767 -5.142 1.00 0.00 C ATOM 1284 O GLY A 109 -4.442 9.013 -6.037 1.00 0.00 O ATOM 0 H GLY A 109 -2.141 11.187 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.852 11.223 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.927 11.906 -5.115 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.813 9.451 -4.302 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.519 8.170 -4.385 1.00 0.00 C ATOM 1290 C LYS A 110 -7.257 8.026 -5.717 1.00 0.00 C ATOM 1291 O LYS A 110 -7.244 6.956 -6.322 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.503 8.023 -3.221 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.276 6.714 -3.241 1.00 0.00 C ATOM 1294 CD LYS A 110 -8.921 6.419 -1.897 1.00 0.00 C ATOM 1295 CE LYS A 110 -9.975 7.456 -1.535 1.00 0.00 C ATOM 1296 NZ LYS A 110 -9.421 8.557 -0.697 1.00 0.00 N ATOM 0 H LYS A 110 -6.141 10.064 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.774 7.377 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.956 8.098 -2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.209 8.853 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.046 6.758 -4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.604 5.899 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.378 5.430 -1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.154 6.395 -1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -10.398 7.875 -2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.791 6.970 -1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.141 8.871 -0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.584 8.215 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.150 9.355 -1.307 1.00 0.00 H new ATOM 1310 N GLU A 111 -7.905 9.105 -6.163 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.643 9.103 -7.426 1.00 0.00 C ATOM 1312 C GLU A 111 -7.763 8.628 -8.585 1.00 0.00 C ATOM 1313 O GLU A 111 -8.041 7.594 -9.194 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.184 10.507 -7.720 1.00 0.00 C ATOM 1315 CG GLU A 111 -9.810 10.654 -9.099 1.00 0.00 C ATOM 1316 CD GLU A 111 -10.969 9.699 -9.327 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -12.099 10.027 -8.910 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -10.746 8.624 -9.923 1.00 0.00 O ATOM 0 H GLU A 111 -7.933 9.995 -5.665 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.476 8.407 -7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.928 10.764 -6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.371 11.226 -7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.160 11.679 -9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.048 10.480 -9.859 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.705 9.381 -8.879 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.796 9.035 -9.970 1.00 0.00 C ATOM 1327 C CYS A 112 -5.137 7.674 -9.737 1.00 0.00 C ATOM 1328 O CYS A 112 -4.953 6.902 -10.680 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.730 10.116 -10.137 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.374 11.701 -10.722 1.00 0.00 S ATOM 0 H CYS A 112 -6.456 10.234 -8.378 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.384 8.971 -10.886 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.230 10.269 -9.181 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.975 9.761 -10.838 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.398 12.553 -10.830 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.794 7.377 -8.480 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.162 6.104 -8.137 1.00 0.00 C ATOM 1338 C PHE A 113 -5.100 4.933 -8.436 1.00 0.00 C ATOM 1339 O PHE A 113 -4.680 3.926 -9.009 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.759 6.090 -6.661 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.931 4.898 -6.277 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -1.550 4.941 -6.367 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -3.534 3.735 -5.828 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -0.786 3.846 -6.015 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -2.775 2.638 -5.475 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.399 2.693 -5.569 1.00 0.00 C ATOM 0 H PHE A 113 -4.944 8.000 -7.687 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.267 5.994 -8.749 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.200 6.998 -6.437 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.659 6.110 -6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.065 5.841 -6.716 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.610 3.686 -5.753 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.291 3.892 -6.089 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.257 1.737 -5.125 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.803 1.835 -5.294 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.369 5.071 -8.040 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.370 4.031 -8.281 1.00 0.00 C ATOM 1358 C LEU A 114 -7.617 3.855 -9.781 1.00 0.00 C ATOM 1359 O LEU A 114 -8.041 2.789 -10.223 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.681 4.361 -7.559 1.00 0.00 C ATOM 1361 CG LEU A 114 -8.645 4.194 -6.036 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -9.947 4.675 -5.416 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -8.380 2.743 -5.660 1.00 0.00 C ATOM 0 H LEU A 114 -6.726 5.892 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.985 3.092 -7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.955 5.390 -7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.469 3.724 -7.960 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.830 4.803 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -9.903 4.549 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.095 5.729 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -10.777 4.093 -5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.358 2.647 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -9.171 2.112 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.420 2.430 -6.071 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.371 4.913 -10.556 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.526 4.855 -12.008 1.00 0.00 C ATOM 1377 C GLU A 115 -6.363 4.083 -12.645 1.00 0.00 C ATOM 1378 O GLU A 115 -6.485 3.574 -13.762 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.601 6.268 -12.594 1.00 0.00 C ATOM 1380 CG GLU A 115 -8.882 7.006 -12.240 1.00 0.00 C ATOM 1381 CD GLU A 115 -8.867 8.453 -12.694 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -9.196 8.710 -13.872 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -8.526 9.330 -11.875 1.00 0.00 O ATOM 0 H GLU A 115 -7.064 5.819 -10.201 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.456 4.331 -12.231 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.748 6.846 -12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.514 6.208 -13.679 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.729 6.495 -12.697 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.032 6.969 -11.161 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.237 3.999 -11.924 1.00 0.00 N ATOM 1391 CA LEU A 116 -4.051 3.290 -12.406 1.00 0.00 C ATOM 1392 C LEU A 116 -4.101 1.799 -12.050 1.00 0.00 C ATOM 1393 O LEU A 116 -3.639 0.957 -12.822 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.785 3.909 -11.803 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.544 5.380 -12.147 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.412 5.944 -11.302 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.235 5.542 -13.627 1.00 0.00 C ATOM 0 H LEU A 116 -5.126 4.417 -11.000 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.032 3.385 -13.492 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.834 3.811 -10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.924 3.330 -12.137 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.454 5.938 -11.925 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.253 6.991 -11.559 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.672 5.865 -10.246 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.499 5.381 -11.494 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.067 6.596 -13.850 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.341 4.971 -13.877 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.076 5.176 -14.216 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.664 1.483 -10.879 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.755 0.096 -10.419 1.00 0.00 C ATOM 1411 C ALA A 117 -6.207 -0.371 -10.300 1.00 0.00 C ATOM 1412 O ALA A 117 -7.106 0.433 -10.062 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.043 -0.062 -9.084 1.00 0.00 C ATOM 0 H ALA A 117 -5.062 2.167 -10.236 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.267 -0.531 -11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.118 -1.098 -8.752 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.993 0.208 -9.197 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.508 0.590 -8.344 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.443 -1.688 -10.477 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.779 -2.295 -10.385 1.00 0.00 C ATOM 1421 C PRO A 118 -8.617 -1.785 -9.209 1.00 0.00 C ATOM 1422 O PRO A 118 -8.102 -1.200 -8.252 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.475 -3.777 -10.191 1.00 0.00 C ATOM 1424 CG PRO A 118 -6.162 -3.999 -10.856 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.414 -2.689 -10.817 1.00 0.00 C ATOM 0 HA PRO A 118 -8.373 -2.056 -11.267 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.428 -4.034 -9.133 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -8.251 -4.399 -10.636 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.599 -4.779 -10.344 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -6.303 -4.331 -11.885 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.618 -2.708 -10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.948 -2.469 -11.777 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.921 -2.042 -9.300 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.892 -1.636 -8.281 1.00 0.00 C ATOM 1435 C ASP A 119 -10.613 -2.249 -6.902 1.00 0.00 C ATOM 1436 O ASP A 119 -11.075 -1.717 -5.891 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.305 -2.033 -8.730 1.00 0.00 C ATOM 1438 CG ASP A 119 -12.497 -3.536 -8.820 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -11.930 -4.158 -9.744 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -13.217 -4.091 -7.965 1.00 0.00 O ATOM 0 H ASP A 119 -10.337 -2.540 -10.087 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.804 -0.554 -8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.032 -1.620 -8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.510 -1.587 -9.703 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.864 -3.358 -6.854 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.583 -4.001 -5.569 1.00 0.00 C ATOM 1447 C PHE A 120 -8.131 -3.804 -5.130 1.00 0.00 C ATOM 1448 O PHE A 120 -7.873 -3.353 -4.012 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.941 -5.490 -5.594 1.00 0.00 C ATOM 1450 CG PHE A 120 -11.417 -5.765 -5.697 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -12.321 -5.108 -4.877 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -11.898 -6.689 -6.611 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -13.675 -5.368 -4.966 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -13.252 -6.952 -6.705 1.00 0.00 C ATOM 1455 CZ PHE A 120 -14.142 -6.290 -5.882 1.00 0.00 C ATOM 0 H PHE A 120 -9.453 -3.817 -7.667 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.219 -3.510 -4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.435 -5.960 -6.437 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -9.557 -5.960 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.963 -4.384 -4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -11.207 -7.210 -7.257 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -14.368 -4.850 -4.319 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.614 -7.675 -7.422 1.00 0.00 H new ATOM 0 HZ PHE A 120 -15.200 -6.493 -5.955 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.186 -4.145 -6.010 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.760 -4.015 -5.696 1.00 0.00 C ATOM 1467 C VAL A 121 -5.380 -2.559 -5.412 1.00 0.00 C ATOM 1468 O VAL A 121 -4.552 -2.290 -4.540 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.864 -4.569 -6.830 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -5.353 -5.934 -7.294 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.798 -3.600 -7.996 1.00 0.00 C ATOM 0 H VAL A 121 -7.381 -4.512 -6.942 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.588 -4.609 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.857 -4.686 -6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.706 -6.301 -8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.330 -6.632 -6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.374 -5.848 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.162 -4.015 -8.778 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.801 -3.438 -8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.384 -2.650 -7.657 1.00 0.00 H new ATOM 1481 N GLY A 122 -5.989 -1.626 -6.153 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.711 -0.210 -5.961 1.00 0.00 C ATOM 1483 C GLY A 122 -5.978 0.251 -4.539 1.00 0.00 C ATOM 1484 O GLY A 122 -5.256 1.099 -4.011 1.00 0.00 O ATOM 0 H GLY A 122 -6.671 -1.830 -6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.670 -0.011 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.323 0.373 -6.649 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.020 -0.308 -3.916 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.379 0.042 -2.544 1.00 0.00 C ATOM 1490 C ASP A 123 -6.257 -0.329 -1.576 1.00 0.00 C ATOM 1491 O ASP A 123 -5.836 0.494 -0.764 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.673 -0.668 -2.131 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.142 -0.261 -0.746 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -9.874 0.746 -0.639 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -8.773 -0.944 0.232 1.00 0.00 O ATOM 0 H ASP A 123 -7.629 -1.006 -4.344 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.534 1.120 -2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.455 -0.443 -2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.516 -1.746 -2.156 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.778 -1.571 -1.675 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.704 -2.064 -0.810 1.00 0.00 C ATOM 1502 C ILE A 124 -3.460 -1.188 -0.912 1.00 0.00 C ATOM 1503 O ILE A 124 -2.958 -0.689 0.095 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.307 -3.512 -1.166 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.519 -4.441 -1.084 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.194 -3.999 -0.247 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.207 -5.865 -1.480 1.00 0.00 C ATOM 0 H ILE A 124 -6.119 -2.257 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.093 -2.033 0.208 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.938 -3.525 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.908 -4.431 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.308 -4.056 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -2.926 -5.022 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.322 -3.355 -0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.537 -3.969 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.109 -6.471 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.846 -5.886 -2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.440 -6.267 -0.818 1.00 0.00 H new ATOM 1519 N LEU A 125 -2.965 -1.022 -2.138 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.772 -0.220 -2.387 1.00 0.00 C ATOM 1521 C LEU A 125 -1.909 1.180 -1.786 1.00 0.00 C ATOM 1522 O LEU A 125 -1.080 1.583 -0.975 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.482 -0.133 -3.888 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.243 -1.476 -4.586 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.202 -1.293 -6.096 1.00 0.00 C ATOM 1526 CD2 LEU A 125 0.046 -2.117 -4.090 1.00 0.00 C ATOM 0 H LEU A 125 -3.375 -1.435 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 125 -0.932 -0.714 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.319 0.367 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.605 0.496 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.072 -2.141 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.031 -2.257 -6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.151 -0.881 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.394 -0.610 -6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.197 -3.070 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.886 -1.455 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.022 -2.286 -3.015 1.00 0.00 H new ATOM 1538 N TRP A 126 -2.957 1.914 -2.168 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.168 3.263 -1.637 1.00 0.00 C ATOM 1540 C TRP A 126 -3.414 3.232 -0.123 1.00 0.00 C ATOM 1541 O TRP A 126 -3.105 4.205 0.568 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.318 3.976 -2.362 1.00 0.00 C ATOM 1543 CG TRP A 126 -4.765 5.238 -1.682 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -4.406 6.512 -2.005 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -5.647 5.342 -0.556 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -5.007 7.404 -1.149 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -5.773 6.709 -0.251 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -6.340 4.410 0.224 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -6.566 7.168 0.799 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -7.125 4.867 1.265 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -7.232 6.234 1.545 1.00 0.00 C ATOM 0 H TRP A 126 -3.664 1.603 -2.834 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.256 3.831 -1.818 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -4.005 4.212 -3.379 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -5.165 3.295 -2.440 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -3.745 6.782 -2.816 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -4.900 8.418 -1.178 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.263 3.353 0.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -6.652 8.222 1.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -7.666 4.157 1.873 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -7.853 6.558 2.367 1.00 0.00 H new ATOM 1562 N GLU A 127 -3.958 2.131 0.395 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.198 2.014 1.833 1.00 0.00 C ATOM 1564 C GLU A 127 -2.876 2.124 2.590 1.00 0.00 C ATOM 1565 O GLU A 127 -2.725 2.965 3.480 1.00 0.00 O ATOM 1566 CB GLU A 127 -4.886 0.686 2.166 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.581 0.685 3.518 1.00 0.00 C ATOM 1568 CD GLU A 127 -6.774 1.623 3.559 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -7.870 1.209 3.120 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -6.613 2.771 4.024 1.00 0.00 O ATOM 0 H GLU A 127 -4.238 1.317 -0.152 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.857 2.826 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.618 0.461 1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.145 -0.113 2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -5.910 -0.327 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.868 0.975 4.290 1.00 0.00 H new ATOM 1577 N HIS A 128 -1.916 1.274 2.218 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.594 1.277 2.839 1.00 0.00 C ATOM 1579 C HIS A 128 0.206 2.497 2.379 1.00 0.00 C ATOM 1580 O HIS A 128 0.970 3.077 3.153 1.00 0.00 O ATOM 1581 CB HIS A 128 0.155 -0.013 2.489 1.00 0.00 C ATOM 1582 CG HIS A 128 1.466 -0.173 3.199 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.424 -1.083 2.807 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.976 0.461 4.283 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.463 -1.004 3.616 1.00 0.00 C ATOM 1586 NE2 HIS A 128 3.218 -0.075 4.522 1.00 0.00 N ATOM 0 H HIS A 128 -2.033 0.573 1.486 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.715 1.330 3.921 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.481 -0.866 2.727 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.331 -0.037 1.414 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.495 1.242 4.853 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.362 -1.599 3.549 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.848 0.200 5.276 1.00 0.00 H new ATOM 1595 N LEU A 129 0.021 2.878 1.112 1.00 0.00 N ATOM 1596 CA LEU A 129 0.705 4.035 0.537 1.00 0.00 C ATOM 1597 C LEU A 129 0.368 5.301 1.319 1.00 0.00 C ATOM 1598 O LEU A 129 1.249 6.113 1.612 1.00 0.00 O ATOM 1599 CB LEU A 129 0.301 4.207 -0.931 1.00 0.00 C ATOM 1600 CG LEU A 129 1.065 5.284 -1.705 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.536 4.913 -1.837 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.438 5.490 -3.076 1.00 0.00 C ATOM 0 H LEU A 129 -0.602 2.397 0.463 1.00 0.00 H new ATOM 0 HA LEU A 129 1.780 3.865 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.437 3.253 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.763 4.441 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 129 1.002 6.220 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.060 5.693 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.977 4.814 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.626 3.967 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.990 6.258 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.473 4.556 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.599 5.804 -2.958 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.914 5.460 1.659 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.369 6.622 2.415 1.00 0.00 C ATOM 1616 C GLU A 130 -0.815 6.575 3.839 1.00 0.00 C ATOM 1617 O GLU A 130 -0.542 7.613 4.444 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.900 6.680 2.432 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.465 7.896 3.148 1.00 0.00 C ATOM 1620 CD GLU A 130 -3.069 9.205 2.493 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -3.363 9.383 1.291 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -2.471 10.053 3.185 1.00 0.00 O ATOM 0 H GLU A 130 -1.652 4.797 1.421 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.997 7.524 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.265 6.674 1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.282 5.779 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.552 7.823 3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.121 7.895 4.182 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.659 5.359 4.366 1.00 0.00 N ATOM 1630 CA ILE A 131 -0.114 5.159 5.705 1.00 0.00 C ATOM 1631 C ILE A 131 1.346 5.622 5.770 1.00 0.00 C ATOM 1632 O ILE A 131 1.780 6.191 6.772 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.215 3.672 6.124 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.662 3.321 6.476 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.714 3.361 7.289 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -1.921 1.832 6.561 1.00 0.00 C ATOM 0 H ILE A 131 -0.904 4.496 3.881 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.704 5.758 6.399 1.00 0.00 H new ATOM 0 HB ILE A 131 0.100 3.058 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -1.917 3.781 7.431 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.325 3.754 5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.619 2.309 7.559 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.744 3.570 6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.445 3.981 8.144 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -2.967 1.658 6.814 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.699 1.369 5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.284 1.395 7.330 1.00 0.00 H new ATOM 1648 N LEU A 132 2.093 5.375 4.689 1.00 0.00 N ATOM 1649 CA LEU A 132 3.500 5.771 4.608 1.00 0.00 C ATOM 1650 C LEU A 132 3.652 7.290 4.716 1.00 0.00 C ATOM 1651 O LEU A 132 4.402 7.786 5.557 1.00 0.00 O ATOM 1652 CB LEU A 132 4.117 5.281 3.292 1.00 0.00 C ATOM 1653 CG LEU A 132 4.213 3.760 3.138 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.684 3.396 1.737 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.150 3.173 4.183 1.00 0.00 C ATOM 0 H LEU A 132 1.744 4.901 3.856 1.00 0.00 H new ATOM 0 HA LEU A 132 4.025 5.311 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.528 5.677 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.118 5.702 3.201 1.00 0.00 H new ATOM 0 HG LEU A 132 3.220 3.337 3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.747 2.312 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.976 3.782 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.667 3.833 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.204 2.092 4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.144 3.603 4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.773 3.403 5.180 1.00 0.00 H new ATOM 1667 N GLN A 133 2.930 8.023 3.862 1.00 0.00 N ATOM 1668 CA GLN A 133 2.984 9.488 3.858 1.00 0.00 C ATOM 1669 C GLN A 133 2.548 10.077 5.199 1.00 0.00 C ATOM 1670 O GLN A 133 3.122 11.061 5.665 1.00 0.00 O ATOM 1671 CB GLN A 133 2.129 10.064 2.720 1.00 0.00 C ATOM 1672 CG GLN A 133 0.699 9.558 2.677 1.00 0.00 C ATOM 1673 CD GLN A 133 0.000 9.923 1.380 1.00 0.00 C ATOM 1674 OE1 GLN A 133 -0.603 10.989 1.266 1.00 0.00 O ATOM 1675 NE2 GLN A 133 0.082 9.037 0.392 1.00 0.00 N ATOM 0 H GLN A 133 2.301 7.625 3.164 1.00 0.00 H new ATOM 0 HA GLN A 133 4.024 9.770 3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 133 2.112 11.150 2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 133 2.610 9.832 1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 133 0.695 8.475 2.797 1.00 0.00 H new ATOM 0 HG3 GLN A 133 0.143 9.974 3.517 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.593 8.165 0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.366 9.229 -0.504 1.00 0.00 H new ATOM 1684 N LYS A 134 1.531 9.473 5.816 1.00 0.00 N ATOM 1685 CA LYS A 134 1.027 9.942 7.107 1.00 0.00 C ATOM 1686 C LYS A 134 1.996 9.609 8.247 1.00 0.00 C ATOM 1687 O LYS A 134 2.034 10.312 9.257 1.00 0.00 O ATOM 1688 CB LYS A 134 -0.348 9.332 7.390 1.00 0.00 C ATOM 1689 CG LYS A 134 -1.431 9.813 6.438 1.00 0.00 C ATOM 1690 CD LYS A 134 -1.858 11.241 6.753 1.00 0.00 C ATOM 1691 CE LYS A 134 -2.921 11.740 5.784 1.00 0.00 C ATOM 1692 NZ LYS A 134 -4.125 10.862 5.764 1.00 0.00 N ATOM 0 H LYS A 134 1.041 8.660 5.443 1.00 0.00 H new ATOM 0 HA LYS A 134 0.936 11.027 7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -0.275 8.246 7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -0.640 9.573 8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -1.065 9.759 5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -2.295 9.151 6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -2.243 11.289 7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -0.989 11.898 6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -3.216 12.752 6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -2.498 11.796 4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -4.982 11.449 5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -4.082 10.232 4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -4.153 10.291 6.633 1.00 0.00 H new ATOM 1706 N GLU A 135 2.776 8.539 8.080 1.00 0.00 N ATOM 1707 CA GLU A 135 3.741 8.125 9.097 1.00 0.00 C ATOM 1708 C GLU A 135 5.159 8.603 8.753 1.00 0.00 C ATOM 1709 O GLU A 135 6.147 8.030 9.220 1.00 0.00 O ATOM 1710 CB GLU A 135 3.708 6.598 9.253 1.00 0.00 C ATOM 1711 CG GLU A 135 4.417 6.088 10.498 1.00 0.00 C ATOM 1712 CD GLU A 135 4.091 4.639 10.803 1.00 0.00 C ATOM 1713 OE1 GLU A 135 4.776 3.747 10.260 1.00 0.00 O ATOM 1714 OE2 GLU A 135 3.150 4.396 11.587 1.00 0.00 O ATOM 0 H GLU A 135 2.757 7.945 7.251 1.00 0.00 H new ATOM 0 HA GLU A 135 3.461 8.588 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.669 6.268 9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.166 6.143 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.494 6.194 10.367 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.137 6.707 11.350 1.00 0.00 H new ATOM 1721 N ASP A 136 5.253 9.666 7.948 1.00 0.00 N ATOM 1722 CA ASP A 136 6.542 10.225 7.542 1.00 0.00 C ATOM 1723 C ASP A 136 6.410 11.707 7.195 1.00 0.00 C ATOM 1724 O ASP A 136 5.332 12.173 6.826 1.00 0.00 O ATOM 1725 CB ASP A 136 7.103 9.463 6.338 1.00 0.00 C ATOM 1726 CG ASP A 136 7.653 8.102 6.715 1.00 0.00 C ATOM 1727 OD1 ASP A 136 8.803 8.041 7.195 1.00 0.00 O ATOM 1728 OD2 ASP A 136 6.935 7.098 6.530 1.00 0.00 O ATOM 0 H ASP A 136 4.446 10.157 7.564 1.00 0.00 H new ATOM 0 HA ASP A 136 7.229 10.122 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 136 6.317 9.340 5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 136 7.893 10.054 5.874 1.00 0.00 H new ATOM 1733 N VAL A 137 7.515 12.441 7.317 1.00 0.00 N ATOM 1734 CA VAL A 137 7.528 13.873 7.014 1.00 0.00 C ATOM 1735 C VAL A 137 8.385 14.169 5.782 1.00 0.00 C ATOM 1736 O VAL A 137 9.136 13.308 5.318 1.00 0.00 O ATOM 1737 CB VAL A 137 8.045 14.707 8.210 1.00 0.00 C ATOM 1738 CG1 VAL A 137 7.108 14.575 9.404 1.00 0.00 C ATOM 1739 CG2 VAL A 137 9.462 14.299 8.589 1.00 0.00 C ATOM 0 H VAL A 137 8.414 12.068 7.624 1.00 0.00 H new ATOM 0 HA VAL A 137 6.496 14.159 6.810 1.00 0.00 H new ATOM 0 HB VAL A 137 8.067 15.754 7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 137 7.490 15.169 10.234 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.116 14.932 9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 137 7.047 13.529 9.705 1.00 0.00 H new ATOM 0 HG21 VAL A 137 9.801 14.901 9.432 1.00 0.00 H new ATOM 0 HG22 VAL A 137 9.475 13.245 8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 137 10.126 14.458 7.739 1.00 0.00 H new ATOM 1749 N LYS A 138 8.263 15.395 5.260 1.00 0.00 N ATOM 1750 CA LYS A 138 9.015 15.831 4.078 1.00 0.00 C ATOM 1751 C LYS A 138 8.515 15.126 2.813 1.00 0.00 C ATOM 1752 O LYS A 138 8.857 13.942 2.611 1.00 0.00 O ATOM 1753 CB LYS A 138 10.521 15.594 4.268 1.00 0.00 C ATOM 1754 CG LYS A 138 11.363 16.046 3.084 1.00 0.00 C ATOM 1755 CD LYS A 138 12.834 15.727 3.292 1.00 0.00 C ATOM 1756 CE LYS A 138 13.653 16.030 2.047 1.00 0.00 C ATOM 1757 NZ LYS A 138 15.075 15.613 2.201 1.00 0.00 N ATOM 1758 OXT LYS A 138 7.782 15.770 2.034 1.00 0.00 O ATOM 0 H LYS A 138 7.644 16.109 5.643 1.00 0.00 H new ATOM 0 HA LYS A 138 8.849 16.901 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 138 10.853 16.122 5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 138 10.694 14.532 4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 138 11.009 15.557 2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.240 17.119 2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 138 13.218 16.307 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 138 12.945 14.675 3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 138 13.215 15.517 1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 138 13.609 17.098 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 15.599 15.837 1.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 15.501 16.121 3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 15.119 14.589 2.378 1.00 0.00 H new TER 1772 LYS A 138