USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 870 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot -90:sc= 0.535 USER MOD Set 1.2: A 76 HIS : no HD1:sc= -0.786 K(o=-0.25,f=-0.76) USER MOD Set 2.1: A 57 THR OG1 : rot 99:sc= 1.28 USER MOD Set 2.2: A 128 HIS : no HD1:sc= -3.78! X(o=-2.5!,f=-2.2) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 39:sc= 0.213 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -119:sc= 1.66 USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= 1.27 (180deg=1.12) USER MOD Single : A 44 MET CE :methyl -124:sc= -0.11 (180deg=-2.64!) USER MOD Single : A 45 MET CE :methyl -147:sc= -9.67! (180deg=-11.8!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.14) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.18) USER MOD Single : A 52 THR OG1 : rot -41:sc= 0.0432 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -2.5! C(o=-2.5!,f=-6.8!) USER MOD Single : A 61 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.032) USER MOD Single : A 67 LYS NZ :NH3+ -139:sc= 1.28 (180deg=1.15) USER MOD Single : A 71 GLN :FLIP amide:sc= -9.84! C(o=-12!,f=-9.8!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 167:sc= -0.189 (180deg=-0.539) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.814 F(o=-1.6,f=-0.81) USER MOD Single : A 89 SER OG : rot 13:sc= 0.857 USER MOD Single : A 91 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.0575) USER MOD Single : A 96 GLN : amide:sc= 0.351! C(o=0.35!,f=-9!) USER MOD Single : A 97 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0253) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 129:sc= -0.703 (180deg=-2.19!) USER MOD Single : A 101 SER OG : rot 8:sc= 0.294 USER MOD Single : A 106 CYS SG : rot -17:sc= -0.577 USER MOD Single : A 110 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0488) USER MOD Single : A 112 CYS SG : rot 43:sc= 0.0366 USER MOD Single : A 133 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.4) USER MOD Single : A 134 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0481) USER MOD Single : A 138 LYS NZ :NH3+ -133:sc= -0.373 (180deg=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 29 -20.967 2.324 -6.031 1.00 15.50 N ATOM 2 CA MET A 29 -21.060 3.723 -5.543 1.00 14.89 C ATOM 3 C MET A 29 -20.786 3.772 -4.050 1.00 14.63 C ATOM 4 O MET A 29 -19.793 4.354 -3.615 1.00 14.97 O ATOM 5 CB MET A 29 -22.443 4.324 -5.821 1.00 14.83 C ATOM 6 CG MET A 29 -22.813 4.410 -7.292 1.00 15.02 C ATOM 7 SD MET A 29 -23.081 2.790 -8.034 1.00 15.45 S ATOM 8 CE MET A 29 -23.775 3.258 -9.614 1.00 15.28 C ATOM 0 HA MET A 29 -20.314 4.310 -6.079 1.00 14.89 H new ATOM 0 HB2 MET A 29 -23.194 3.726 -5.306 1.00 14.83 H new ATOM 0 HB3 MET A 29 -22.482 5.325 -5.391 1.00 14.83 H new ATOM 0 HG2 MET A 29 -23.717 5.010 -7.401 1.00 15.02 H new ATOM 0 HG3 MET A 29 -22.020 4.927 -7.833 1.00 15.02 H new ATOM 0 HE1 MET A 29 -23.996 2.362 -10.194 1.00 15.28 H new ATOM 0 HE2 MET A 29 -24.693 3.823 -9.455 1.00 15.28 H new ATOM 0 HE3 MET A 29 -23.059 3.875 -10.158 1.00 15.28 H new ATOM 20 N GLU A 30 -21.677 3.145 -3.274 1.00 14.20 N ATOM 21 CA GLU A 30 -21.525 3.050 -1.825 1.00 14.13 C ATOM 22 C GLU A 30 -21.327 4.434 -1.223 1.00 14.36 C ATOM 23 O GLU A 30 -20.244 4.770 -0.734 1.00 14.15 O ATOM 24 CB GLU A 30 -20.352 2.131 -1.451 1.00 13.38 C ATOM 25 CG GLU A 30 -20.532 0.673 -1.866 1.00 12.84 C ATOM 26 CD GLU A 30 -20.635 0.492 -3.367 1.00 13.13 C ATOM 27 OE1 GLU A 30 -19.591 0.545 -4.050 1.00 13.36 O ATOM 28 OE2 GLU A 30 -21.766 0.329 -3.871 1.00 13.30 O ATOM 0 H GLU A 30 -22.518 2.693 -3.634 1.00 14.20 H new ATOM 0 HA GLU A 30 -22.437 2.615 -1.416 1.00 14.13 H new ATOM 0 HB2 GLU A 30 -19.443 2.517 -1.912 1.00 13.38 H new ATOM 0 HB3 GLU A 30 -20.204 2.173 -0.372 1.00 13.38 H new ATOM 0 HG2 GLU A 30 -19.691 0.088 -1.492 1.00 12.84 H new ATOM 0 HG3 GLU A 30 -21.431 0.276 -1.395 1.00 12.84 H new ATOM 35 N CYS A 31 -22.376 5.238 -1.285 1.00 14.95 N ATOM 36 CA CYS A 31 -22.332 6.594 -0.772 1.00 15.43 C ATOM 37 C CYS A 31 -22.412 6.580 0.752 1.00 15.40 C ATOM 38 O CYS A 31 -22.271 5.526 1.377 1.00 15.27 O ATOM 39 CB CYS A 31 -23.477 7.413 -1.373 1.00 16.40 C ATOM 40 SG CYS A 31 -23.543 7.357 -3.181 1.00 17.05 S ATOM 0 H CYS A 31 -23.274 4.971 -1.689 1.00 14.95 H new ATOM 0 HA CYS A 31 -21.388 7.058 -1.059 1.00 15.43 H new ATOM 0 HB2 CYS A 31 -24.422 7.047 -0.973 1.00 16.40 H new ATOM 0 HB3 CYS A 31 -23.376 8.450 -1.054 1.00 16.40 H new ATOM 0 HG CYS A 31 -24.542 8.075 -3.601 1.00 17.05 H new ATOM 46 N ALA A 32 -22.641 7.746 1.341 1.00 15.67 N ATOM 47 CA ALA A 32 -22.640 7.885 2.789 1.00 15.86 C ATOM 48 C ALA A 32 -23.633 6.938 3.455 1.00 15.04 C ATOM 49 O ALA A 32 -23.258 6.168 4.339 1.00 15.00 O ATOM 50 CB ALA A 32 -22.939 9.323 3.180 1.00 16.57 C ATOM 0 H ALA A 32 -22.830 8.611 0.835 1.00 15.67 H new ATOM 0 HA ALA A 32 -21.645 7.616 3.143 1.00 15.86 H new ATOM 0 HB1 ALA A 32 -22.935 9.413 4.266 1.00 16.57 H new ATOM 0 HB2 ALA A 32 -22.178 9.980 2.759 1.00 16.57 H new ATOM 0 HB3 ALA A 32 -23.918 9.608 2.796 1.00 16.57 H new ATOM 56 N ASP A 33 -24.890 6.976 3.021 1.00 14.54 N ATOM 57 CA ASP A 33 -25.927 6.180 3.671 1.00 13.85 C ATOM 58 C ASP A 33 -26.655 5.244 2.709 1.00 12.87 C ATOM 59 O ASP A 33 -27.718 4.716 3.045 1.00 12.61 O ATOM 60 CB ASP A 33 -26.945 7.084 4.369 1.00 14.29 C ATOM 61 CG ASP A 33 -26.384 7.750 5.609 1.00 14.46 C ATOM 62 OD1 ASP A 33 -25.985 7.027 6.548 1.00 14.55 O ATOM 63 OD2 ASP A 33 -26.354 8.999 5.658 1.00 14.65 O ATOM 0 H ASP A 33 -25.212 7.540 2.234 1.00 14.54 H new ATOM 0 HA ASP A 33 -25.414 5.559 4.406 1.00 13.85 H new ATOM 0 HB2 ASP A 33 -27.282 7.850 3.671 1.00 14.29 H new ATOM 0 HB3 ASP A 33 -27.820 6.495 4.643 1.00 14.29 H new ATOM 68 N VAL A 34 -26.111 5.030 1.517 1.00 12.51 N ATOM 69 CA VAL A 34 -26.701 4.049 0.613 1.00 11.75 C ATOM 70 C VAL A 34 -25.663 3.031 0.136 1.00 10.55 C ATOM 71 O VAL A 34 -24.841 3.306 -0.744 1.00 10.22 O ATOM 72 CB VAL A 34 -27.414 4.701 -0.604 1.00 12.12 C ATOM 73 CG1 VAL A 34 -28.625 5.502 -0.151 1.00 12.06 C ATOM 74 CG2 VAL A 34 -26.473 5.581 -1.420 1.00 12.37 C ATOM 0 H VAL A 34 -25.284 5.508 1.160 1.00 12.51 H new ATOM 0 HA VAL A 34 -27.463 3.528 1.193 1.00 11.75 H new ATOM 0 HB VAL A 34 -27.746 3.889 -1.252 1.00 12.12 H new ATOM 0 HG11 VAL A 34 -29.110 5.950 -1.018 1.00 12.06 H new ATOM 0 HG12 VAL A 34 -29.328 4.842 0.357 1.00 12.06 H new ATOM 0 HG13 VAL A 34 -28.306 6.288 0.533 1.00 12.06 H new ATOM 0 HG21 VAL A 34 -27.017 6.014 -2.259 1.00 12.37 H new ATOM 0 HG22 VAL A 34 -26.083 6.380 -0.789 1.00 12.37 H new ATOM 0 HG23 VAL A 34 -25.646 4.979 -1.796 1.00 12.37 H new ATOM 84 N PRO A 35 -25.663 1.846 0.760 1.00 10.03 N ATOM 85 CA PRO A 35 -24.895 0.695 0.292 1.00 8.95 C ATOM 86 C PRO A 35 -25.509 0.081 -0.956 1.00 8.28 C ATOM 87 O PRO A 35 -26.724 -0.105 -1.035 1.00 8.57 O ATOM 88 CB PRO A 35 -24.961 -0.302 1.456 1.00 9.02 C ATOM 89 CG PRO A 35 -25.504 0.475 2.604 1.00 10.14 C ATOM 90 CD PRO A 35 -26.379 1.533 1.999 1.00 10.65 C ATOM 0 HA PRO A 35 -23.876 0.973 0.021 1.00 8.95 H new ATOM 0 HB2 PRO A 35 -25.604 -1.148 1.214 1.00 9.02 H new ATOM 0 HB3 PRO A 35 -23.975 -0.706 1.685 1.00 9.02 H new ATOM 0 HG2 PRO A 35 -26.073 -0.166 3.277 1.00 10.14 H new ATOM 0 HG3 PRO A 35 -24.700 0.920 3.191 1.00 10.14 H new ATOM 0 HD2 PRO A 35 -27.388 1.168 1.806 1.00 10.65 H new ATOM 0 HD3 PRO A 35 -26.474 2.404 2.647 1.00 10.65 H new ATOM 98 N LEU A 36 -24.671 -0.232 -1.922 1.00 7.62 N ATOM 99 CA LEU A 36 -25.121 -0.910 -3.129 1.00 7.19 C ATOM 100 C LEU A 36 -24.369 -2.224 -3.271 1.00 6.10 C ATOM 101 O LEU A 36 -24.951 -3.304 -3.174 1.00 6.10 O ATOM 102 CB LEU A 36 -24.919 -0.026 -4.366 1.00 7.86 C ATOM 103 CG LEU A 36 -25.629 1.333 -4.322 1.00 8.90 C ATOM 104 CD1 LEU A 36 -25.367 2.112 -5.599 1.00 9.33 C ATOM 105 CD2 LEU A 36 -27.126 1.158 -4.106 1.00 9.55 C ATOM 0 H LEU A 36 -23.672 -0.029 -1.899 1.00 7.62 H new ATOM 0 HA LEU A 36 -26.189 -1.113 -3.048 1.00 7.19 H new ATOM 0 HB2 LEU A 36 -23.851 0.145 -4.500 1.00 7.86 H new ATOM 0 HB3 LEU A 36 -25.267 -0.571 -5.243 1.00 7.86 H new ATOM 0 HG LEU A 36 -25.227 1.897 -3.481 1.00 8.90 H new ATOM 0 HD11 LEU A 36 -25.878 3.073 -5.550 1.00 9.33 H new ATOM 0 HD12 LEU A 36 -24.295 2.276 -5.712 1.00 9.33 H new ATOM 0 HD13 LEU A 36 -25.739 1.546 -6.453 1.00 9.33 H new ATOM 0 HD21 LEU A 36 -27.606 2.136 -4.079 1.00 9.55 H new ATOM 0 HD22 LEU A 36 -27.545 0.571 -4.923 1.00 9.55 H new ATOM 0 HD23 LEU A 36 -27.299 0.642 -3.162 1.00 9.55 H new ATOM 117 N LEU A 37 -23.068 -2.124 -3.472 1.00 5.42 N ATOM 118 CA LEU A 37 -22.203 -3.293 -3.447 1.00 4.46 C ATOM 119 C LEU A 37 -21.860 -3.612 -1.998 1.00 3.64 C ATOM 120 O LEU A 37 -21.631 -2.702 -1.201 1.00 3.66 O ATOM 121 CB LEU A 37 -20.920 -3.057 -4.262 1.00 4.57 C ATOM 122 CG LEU A 37 -21.076 -3.072 -5.793 1.00 4.91 C ATOM 123 CD1 LEU A 37 -21.698 -4.378 -6.257 1.00 5.34 C ATOM 124 CD2 LEU A 37 -21.905 -1.890 -6.277 1.00 5.26 C ATOM 0 H LEU A 37 -22.585 -1.245 -3.655 1.00 5.42 H new ATOM 0 HA LEU A 37 -22.726 -4.134 -3.902 1.00 4.46 H new ATOM 0 HB2 LEU A 37 -20.500 -2.094 -3.970 1.00 4.57 H new ATOM 0 HB3 LEU A 37 -20.192 -3.819 -3.984 1.00 4.57 H new ATOM 0 HG LEU A 37 -20.080 -2.986 -6.227 1.00 4.91 H new ATOM 0 HD11 LEU A 37 -21.799 -4.367 -7.342 1.00 5.34 H new ATOM 0 HD12 LEU A 37 -21.060 -5.211 -5.960 1.00 5.34 H new ATOM 0 HD13 LEU A 37 -22.682 -4.494 -5.802 1.00 5.34 H new ATOM 0 HD21 LEU A 37 -21.996 -1.930 -7.362 1.00 5.26 H new ATOM 0 HD22 LEU A 37 -22.897 -1.933 -5.827 1.00 5.26 H new ATOM 0 HD23 LEU A 37 -21.416 -0.960 -5.988 1.00 5.26 H new ATOM 136 N THR A 38 -21.851 -4.891 -1.653 1.00 3.22 N ATOM 137 CA THR A 38 -21.607 -5.305 -0.280 1.00 2.61 C ATOM 138 C THR A 38 -20.140 -5.153 0.085 1.00 1.98 C ATOM 139 O THR A 38 -19.270 -5.791 -0.513 1.00 2.04 O ATOM 140 CB THR A 38 -22.058 -6.759 -0.046 1.00 2.96 C ATOM 141 OG1 THR A 38 -21.493 -7.620 -1.044 1.00 3.50 O ATOM 142 CG2 THR A 38 -23.574 -6.868 -0.083 1.00 3.43 C ATOM 0 H THR A 38 -22.010 -5.659 -2.305 1.00 3.22 H new ATOM 0 HA THR A 38 -22.196 -4.652 0.364 1.00 2.61 H new ATOM 0 HB THR A 38 -21.707 -7.066 0.939 1.00 2.96 H new ATOM 0 HG1 THR A 38 -20.573 -7.340 -1.234 1.00 3.50 H new ATOM 0 HG21 THR A 38 -23.868 -7.904 0.085 1.00 3.43 H new ATOM 0 HG22 THR A 38 -24.003 -6.238 0.696 1.00 3.43 H new ATOM 0 HG23 THR A 38 -23.939 -6.540 -1.056 1.00 3.43 H new ATOM 150 N PRO A 39 -19.854 -4.282 1.061 1.00 1.65 N ATOM 151 CA PRO A 39 -18.500 -4.060 1.552 1.00 1.21 C ATOM 152 C PRO A 39 -17.967 -5.288 2.265 1.00 1.17 C ATOM 153 O PRO A 39 -18.445 -5.645 3.345 1.00 1.62 O ATOM 154 CB PRO A 39 -18.648 -2.883 2.528 1.00 1.47 C ATOM 155 CG PRO A 39 -19.986 -2.297 2.240 1.00 1.97 C ATOM 156 CD PRO A 39 -20.829 -3.439 1.768 1.00 2.07 C ATOM 0 HA PRO A 39 -17.794 -3.855 0.747 1.00 1.21 H new ATOM 0 HB2 PRO A 39 -18.581 -3.220 3.563 1.00 1.47 H new ATOM 0 HB3 PRO A 39 -17.857 -2.148 2.380 1.00 1.47 H new ATOM 0 HG2 PRO A 39 -20.413 -1.836 3.131 1.00 1.97 H new ATOM 0 HG3 PRO A 39 -19.918 -1.519 1.480 1.00 1.97 H new ATOM 0 HD2 PRO A 39 -21.297 -3.968 2.598 1.00 2.07 H new ATOM 0 HD3 PRO A 39 -21.631 -3.106 1.109 1.00 2.07 H new ATOM 164 N SER A 40 -17.008 -5.957 1.650 1.00 0.90 N ATOM 165 CA SER A 40 -16.427 -7.138 2.253 1.00 0.95 C ATOM 166 C SER A 40 -14.905 -7.117 2.157 1.00 0.90 C ATOM 167 O SER A 40 -14.214 -7.079 3.176 1.00 0.97 O ATOM 168 CB SER A 40 -16.993 -8.393 1.575 1.00 1.11 C ATOM 169 OG SER A 40 -16.471 -9.583 2.147 1.00 1.74 O ATOM 0 H SER A 40 -16.619 -5.704 0.742 1.00 0.90 H new ATOM 0 HA SER A 40 -16.689 -7.151 3.311 1.00 0.95 H new ATOM 0 HB2 SER A 40 -18.080 -8.394 1.662 1.00 1.11 H new ATOM 0 HB3 SER A 40 -16.759 -8.368 0.511 1.00 1.11 H new ATOM 0 HG SER A 40 -16.855 -10.361 1.691 1.00 1.74 H new ATOM 175 N SER A 41 -14.377 -7.144 0.940 1.00 0.87 N ATOM 176 CA SER A 41 -12.939 -7.223 0.763 1.00 0.90 C ATOM 177 C SER A 41 -12.290 -5.839 0.618 1.00 0.76 C ATOM 178 O SER A 41 -11.522 -5.413 1.480 1.00 0.83 O ATOM 179 CB SER A 41 -12.615 -8.109 -0.440 1.00 1.08 C ATOM 180 OG SER A 41 -11.349 -8.730 -0.298 1.00 1.76 O ATOM 0 H SER A 41 -14.916 -7.113 0.075 1.00 0.87 H new ATOM 0 HA SER A 41 -12.516 -7.669 1.663 1.00 0.90 H new ATOM 0 HB2 SER A 41 -13.386 -8.872 -0.550 1.00 1.08 H new ATOM 0 HB3 SER A 41 -12.628 -7.509 -1.350 1.00 1.08 H new ATOM 0 HG SER A 41 -10.762 -8.446 -1.029 1.00 1.76 H new ATOM 186 N LYS A 42 -12.615 -5.130 -0.465 1.00 0.66 N ATOM 187 CA LYS A 42 -11.909 -3.894 -0.794 1.00 0.58 C ATOM 188 C LYS A 42 -12.544 -2.660 -0.166 1.00 0.51 C ATOM 189 O LYS A 42 -11.863 -1.661 0.054 1.00 0.55 O ATOM 190 CB LYS A 42 -11.769 -3.699 -2.308 1.00 0.62 C ATOM 191 CG LYS A 42 -10.954 -2.463 -2.668 1.00 0.61 C ATOM 192 CD LYS A 42 -10.019 -2.709 -3.838 1.00 0.86 C ATOM 193 CE LYS A 42 -9.077 -1.529 -4.030 1.00 1.40 C ATOM 194 NZ LYS A 42 -8.071 -1.771 -5.095 1.00 1.90 N ATOM 0 H LYS A 42 -13.353 -5.387 -1.120 1.00 0.66 H new ATOM 0 HA LYS A 42 -10.914 -4.006 -0.363 1.00 0.58 H new ATOM 0 HB2 LYS A 42 -11.296 -4.580 -2.742 1.00 0.62 H new ATOM 0 HB3 LYS A 42 -12.761 -3.618 -2.753 1.00 0.62 H new ATOM 0 HG2 LYS A 42 -11.630 -1.644 -2.912 1.00 0.61 H new ATOM 0 HG3 LYS A 42 -10.373 -2.149 -1.801 1.00 0.61 H new ATOM 0 HD2 LYS A 42 -9.442 -3.617 -3.664 1.00 0.86 H new ATOM 0 HD3 LYS A 42 -10.599 -2.869 -4.747 1.00 0.86 H new ATOM 0 HE2 LYS A 42 -9.658 -0.641 -4.279 1.00 1.40 H new ATOM 0 HE3 LYS A 42 -8.564 -1.321 -3.091 1.00 1.40 H new ATOM 0 HZ1 LYS A 42 -7.749 -0.861 -5.482 1.00 1.90 H new ATOM 0 HZ2 LYS A 42 -7.259 -2.284 -4.696 1.00 1.90 H new ATOM 0 HZ3 LYS A 42 -8.499 -2.338 -5.855 1.00 1.90 H new ATOM 208 N GLU A 43 -13.835 -2.705 0.121 1.00 0.48 N ATOM 209 CA GLU A 43 -14.526 -1.523 0.635 1.00 0.47 C ATOM 210 C GLU A 43 -13.858 -1.024 1.903 1.00 0.41 C ATOM 211 O GLU A 43 -13.827 0.173 2.173 1.00 0.42 O ATOM 212 CB GLU A 43 -15.996 -1.816 0.922 1.00 0.57 C ATOM 213 CG GLU A 43 -16.849 -2.032 -0.315 1.00 1.04 C ATOM 214 CD GLU A 43 -16.427 -3.246 -1.115 1.00 1.57 C ATOM 215 OE1 GLU A 43 -16.182 -4.308 -0.510 1.00 2.23 O ATOM 216 OE2 GLU A 43 -16.339 -3.145 -2.358 1.00 1.68 O ATOM 0 H GLU A 43 -14.422 -3.532 0.011 1.00 0.48 H new ATOM 0 HA GLU A 43 -14.468 -0.754 -0.135 1.00 0.47 H new ATOM 0 HB2 GLU A 43 -16.060 -2.704 1.551 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -16.413 -0.988 1.495 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -17.891 -2.144 -0.017 1.00 1.04 H new ATOM 0 HG3 GLU A 43 -16.792 -1.147 -0.949 1.00 1.04 H new ATOM 223 N MET A 44 -13.311 -1.957 2.664 1.00 0.41 N ATOM 224 CA MET A 44 -12.627 -1.639 3.899 1.00 0.41 C ATOM 225 C MET A 44 -11.402 -0.772 3.627 1.00 0.31 C ATOM 226 O MET A 44 -11.261 0.283 4.224 1.00 0.28 O ATOM 227 CB MET A 44 -12.264 -2.921 4.654 1.00 0.50 C ATOM 228 CG MET A 44 -13.477 -3.610 5.283 1.00 0.82 C ATOM 229 SD MET A 44 -14.765 -4.009 4.077 1.00 1.59 S ATOM 230 CE MET A 44 -16.131 -4.469 5.143 1.00 1.62 C ATOM 0 H MET A 44 -13.330 -2.952 2.441 1.00 0.41 H new ATOM 0 HA MET A 44 -13.298 -1.062 4.536 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.775 -3.613 3.969 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.542 -2.683 5.436 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.153 -4.526 5.777 1.00 0.82 H new ATOM 0 HG3 MET A 44 -13.896 -2.964 6.054 1.00 0.82 H new ATOM 0 HE1 MET A 44 -16.472 -5.471 4.885 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.803 -4.454 6.182 1.00 1.62 H new ATOM 0 HE3 MET A 44 -16.950 -3.762 5.011 1.00 1.62 H new ATOM 240 N MET A 45 -10.534 -1.191 2.705 1.00 0.28 N ATOM 241 CA MET A 45 -9.377 -0.367 2.333 1.00 0.22 C ATOM 242 C MET A 45 -9.826 0.898 1.610 1.00 0.20 C ATOM 243 O MET A 45 -9.209 1.944 1.748 1.00 0.20 O ATOM 244 CB MET A 45 -8.385 -1.127 1.446 1.00 0.24 C ATOM 245 CG MET A 45 -8.973 -1.565 0.118 1.00 0.32 C ATOM 246 SD MET A 45 -7.860 -2.573 -0.868 1.00 0.98 S ATOM 247 CE MET A 45 -6.571 -1.385 -1.206 1.00 0.22 C ATOM 0 H MET A 45 -10.605 -2.079 2.208 1.00 0.28 H new ATOM 0 HA MET A 45 -8.872 -0.103 3.262 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.518 -0.494 1.259 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.028 -2.005 1.984 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.889 -2.126 0.304 1.00 0.32 H new ATOM 0 HG3 MET A 45 -9.252 -0.681 -0.455 1.00 0.32 H new ATOM 0 HE1 MET A 45 -6.146 -1.579 -2.191 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.989 -0.378 -1.183 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.790 -1.471 -0.451 1.00 0.22 H new ATOM 257 N SER A 46 -10.880 0.799 0.822 1.00 0.24 N ATOM 258 CA SER A 46 -11.413 1.956 0.125 1.00 0.30 C ATOM 259 C SER A 46 -11.675 3.099 1.110 1.00 0.27 C ATOM 260 O SER A 46 -11.199 4.221 0.923 1.00 0.30 O ATOM 261 CB SER A 46 -12.690 1.559 -0.622 1.00 0.39 C ATOM 262 OG SER A 46 -13.161 2.614 -1.442 1.00 0.53 O ATOM 0 H SER A 46 -11.385 -0.070 0.648 1.00 0.24 H new ATOM 0 HA SER A 46 -10.683 2.310 -0.603 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.495 0.679 -1.235 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.462 1.283 0.096 1.00 0.39 H new ATOM 0 HG SER A 46 -13.976 2.329 -1.906 1.00 0.53 H new ATOM 268 N GLN A 47 -12.421 2.806 2.163 1.00 0.25 N ATOM 269 CA GLN A 47 -12.674 3.796 3.201 1.00 0.27 C ATOM 270 C GLN A 47 -11.468 3.983 4.135 1.00 0.24 C ATOM 271 O GLN A 47 -11.097 5.113 4.448 1.00 0.29 O ATOM 272 CB GLN A 47 -13.956 3.475 3.987 1.00 0.30 C ATOM 273 CG GLN A 47 -14.057 2.046 4.500 1.00 0.33 C ATOM 274 CD GLN A 47 -15.464 1.691 4.945 1.00 0.43 C ATOM 275 OE1 GLN A 47 -16.201 2.531 5.463 1.00 1.10 O ATOM 276 NE2 GLN A 47 -15.858 0.449 4.710 1.00 1.11 N ATOM 0 H GLN A 47 -12.859 1.899 2.322 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.829 4.749 2.696 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -14.023 4.155 4.836 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.816 3.677 3.348 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.742 1.358 3.716 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -13.370 1.913 5.336 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -15.216 -0.217 4.279 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -16.803 0.158 4.960 1.00 1.11 H new ATOM 285 N ALA A 48 -10.856 2.885 4.579 1.00 0.21 N ATOM 286 CA ALA A 48 -9.756 2.958 5.545 1.00 0.22 C ATOM 287 C ALA A 48 -8.454 3.445 4.923 1.00 0.20 C ATOM 288 O ALA A 48 -7.873 4.413 5.400 1.00 0.22 O ATOM 289 CB ALA A 48 -9.523 1.611 6.213 1.00 0.24 C ATOM 0 H ALA A 48 -11.100 1.938 4.288 1.00 0.21 H new ATOM 0 HA ALA A 48 -10.062 3.690 6.292 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.701 1.695 6.924 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.428 1.304 6.738 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.273 0.868 5.456 1.00 0.24 H new ATOM 295 N LEU A 49 -8.011 2.801 3.847 1.00 0.18 N ATOM 296 CA LEU A 49 -6.687 3.052 3.285 1.00 0.18 C ATOM 297 C LEU A 49 -6.623 4.408 2.635 1.00 0.19 C ATOM 298 O LEU A 49 -5.767 5.225 2.958 1.00 0.21 O ATOM 299 CB LEU A 49 -6.348 2.024 2.211 1.00 0.23 C ATOM 300 CG LEU A 49 -5.166 1.111 2.496 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.716 0.481 1.199 1.00 0.47 C ATOM 302 CD2 LEU A 49 -4.025 1.852 3.181 1.00 0.58 C ATOM 0 H LEU A 49 -8.553 2.098 3.344 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.980 2.992 4.112 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.227 1.402 2.044 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -6.152 2.555 1.280 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.480 0.331 3.190 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.868 -0.177 1.389 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.535 -0.097 0.772 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.420 1.262 0.499 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.202 1.162 3.366 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.681 2.663 2.540 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.374 2.262 4.129 1.00 0.58 H new ATOM 314 N LYS A 50 -7.526 4.632 1.695 1.00 0.19 N ATOM 315 CA LYS A 50 -7.492 5.835 0.890 1.00 0.21 C ATOM 316 C LYS A 50 -7.571 7.077 1.778 1.00 0.23 C ATOM 317 O LYS A 50 -7.026 8.130 1.452 1.00 0.27 O ATOM 318 CB LYS A 50 -8.620 5.816 -0.145 1.00 0.22 C ATOM 319 CG LYS A 50 -8.652 4.536 -0.968 1.00 0.20 C ATOM 320 CD LYS A 50 -7.313 4.272 -1.649 1.00 0.21 C ATOM 321 CE LYS A 50 -7.007 5.292 -2.738 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.741 5.003 -3.997 1.00 0.55 N ATOM 0 H LYS A 50 -8.291 3.995 1.473 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.545 5.871 0.352 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.576 5.937 0.365 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.506 6.669 -0.814 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.905 3.694 -0.323 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.436 4.607 -1.722 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.519 4.291 -0.903 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.319 3.272 -2.082 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.272 6.289 -2.385 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -5.935 5.299 -2.937 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.440 5.670 -4.736 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.535 4.031 -4.304 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.763 5.105 -3.834 1.00 0.55 H new ATOM 336 N ALA A 51 -8.255 6.930 2.903 1.00 0.22 N ATOM 337 CA ALA A 51 -8.337 7.987 3.901 1.00 0.23 C ATOM 338 C ALA A 51 -7.073 8.057 4.762 1.00 0.23 C ATOM 339 O ALA A 51 -6.605 9.143 5.102 1.00 0.26 O ATOM 340 CB ALA A 51 -9.554 7.793 4.783 1.00 0.25 C ATOM 0 H ALA A 51 -8.765 6.082 3.149 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.429 8.931 3.365 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.598 8.592 5.523 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.455 7.815 4.170 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.485 6.831 5.292 1.00 0.25 H new ATOM 346 N THR A 52 -6.525 6.891 5.107 1.00 0.21 N ATOM 347 CA THR A 52 -5.454 6.794 6.101 1.00 0.22 C ATOM 348 C THR A 52 -4.090 7.171 5.540 1.00 0.21 C ATOM 349 O THR A 52 -3.129 7.327 6.295 1.00 0.23 O ATOM 350 CB THR A 52 -5.368 5.361 6.672 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.611 5.358 7.884 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.723 4.402 5.671 1.00 0.18 C ATOM 0 H THR A 52 -6.807 5.995 4.710 1.00 0.21 H new ATOM 0 HA THR A 52 -5.709 7.505 6.887 1.00 0.22 H new ATOM 0 HB THR A 52 -6.385 5.023 6.872 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.837 5.952 7.788 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.677 3.402 6.103 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.317 4.376 4.757 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.714 4.743 5.438 1.00 0.18 H new ATOM 360 N PHE A 53 -4.009 7.334 4.228 1.00 0.23 N ATOM 361 CA PHE A 53 -2.725 7.501 3.557 1.00 0.27 C ATOM 362 C PHE A 53 -1.910 8.645 4.134 1.00 0.32 C ATOM 363 O PHE A 53 -0.679 8.607 4.106 1.00 0.34 O ATOM 364 CB PHE A 53 -2.914 7.706 2.061 1.00 0.31 C ATOM 365 CG PHE A 53 -3.319 6.460 1.344 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.758 5.245 1.668 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.272 6.508 0.345 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.142 4.099 1.007 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.658 5.364 -0.316 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.050 4.142 0.015 1.00 0.38 C ATOM 0 H PHE A 53 -4.816 7.354 3.605 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.168 6.580 3.727 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.671 8.473 1.899 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.984 8.079 1.631 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.011 5.190 2.446 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.719 7.454 0.079 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.708 3.151 1.289 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.420 5.406 -1.080 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.310 3.242 -0.523 1.00 0.38 H new ATOM 380 N SER A 54 -2.593 9.636 4.679 1.00 0.36 N ATOM 381 CA SER A 54 -1.944 10.795 5.256 1.00 0.44 C ATOM 382 C SER A 54 -1.008 10.401 6.398 1.00 0.39 C ATOM 383 O SER A 54 -0.063 11.119 6.700 1.00 0.46 O ATOM 384 CB SER A 54 -3.010 11.772 5.742 1.00 0.55 C ATOM 385 OG SER A 54 -4.061 11.084 6.401 1.00 1.37 O ATOM 0 H SER A 54 -3.611 9.658 4.733 1.00 0.36 H new ATOM 0 HA SER A 54 -1.332 11.273 4.491 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.562 12.498 6.421 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.410 12.331 4.896 1.00 0.55 H new ATOM 0 HG SER A 54 -4.733 11.729 6.706 1.00 1.37 H new ATOM 391 N GLY A 55 -1.277 9.252 7.015 1.00 0.31 N ATOM 392 CA GLY A 55 -0.461 8.769 8.114 1.00 0.28 C ATOM 393 C GLY A 55 1.003 8.603 7.751 1.00 0.22 C ATOM 394 O GLY A 55 1.861 9.323 8.267 1.00 0.25 O ATOM 0 H GLY A 55 -2.056 8.641 6.768 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.544 9.463 8.950 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.854 7.811 8.455 1.00 0.28 H new ATOM 398 N PHE A 56 1.299 7.675 6.847 1.00 0.15 N ATOM 399 CA PHE A 56 2.690 7.387 6.506 1.00 0.12 C ATOM 400 C PHE A 56 3.240 8.475 5.617 1.00 0.13 C ATOM 401 O PHE A 56 4.370 8.896 5.779 1.00 0.17 O ATOM 402 CB PHE A 56 2.849 6.039 5.804 1.00 0.13 C ATOM 403 CG PHE A 56 4.287 5.696 5.518 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.069 5.075 6.478 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.859 6.013 4.297 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.394 4.778 6.226 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.182 5.718 4.039 1.00 0.26 C ATOM 408 CZ PHE A 56 6.952 5.100 5.005 1.00 0.28 C ATOM 0 H PHE A 56 0.609 7.117 6.344 1.00 0.15 H new ATOM 0 HA PHE A 56 3.246 7.346 7.443 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.410 5.257 6.424 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.291 6.054 4.868 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.638 4.820 7.435 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.262 6.497 3.538 1.00 0.20 H new ATOM 0 HE1 PHE A 56 6.993 4.294 6.983 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.615 5.970 3.082 1.00 0.26 H new ATOM 0 HZ PHE A 56 7.988 4.869 4.806 1.00 0.28 H new ATOM 418 N THR A 57 2.414 8.938 4.697 1.00 0.16 N ATOM 419 CA THR A 57 2.798 10.012 3.780 1.00 0.24 C ATOM 420 C THR A 57 3.255 11.258 4.558 1.00 0.26 C ATOM 421 O THR A 57 4.038 12.068 4.062 1.00 0.35 O ATOM 422 CB THR A 57 1.624 10.386 2.861 1.00 0.32 C ATOM 423 OG1 THR A 57 1.123 9.213 2.197 1.00 0.39 O ATOM 424 CG2 THR A 57 2.038 11.414 1.816 1.00 0.46 C ATOM 0 H THR A 57 1.466 8.589 4.559 1.00 0.16 H new ATOM 0 HA THR A 57 3.627 9.649 3.172 1.00 0.24 H new ATOM 0 HB THR A 57 0.844 10.822 3.485 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.327 8.887 2.666 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.183 11.655 1.184 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.387 12.318 2.314 1.00 0.46 H new ATOM 0 HG23 THR A 57 2.840 11.005 1.201 1.00 0.46 H new ATOM 432 N LYS A 58 2.784 11.381 5.796 1.00 0.24 N ATOM 433 CA LYS A 58 3.165 12.503 6.649 1.00 0.31 C ATOM 434 C LYS A 58 4.550 12.269 7.239 1.00 0.29 C ATOM 435 O LYS A 58 5.404 13.159 7.237 1.00 0.31 O ATOM 436 CB LYS A 58 2.169 12.707 7.792 1.00 0.39 C ATOM 437 CG LYS A 58 2.479 13.927 8.643 1.00 0.50 C ATOM 438 CD LYS A 58 1.678 13.928 9.931 1.00 1.34 C ATOM 439 CE LYS A 58 2.041 15.118 10.804 1.00 1.93 C ATOM 440 NZ LYS A 58 1.506 14.969 12.180 1.00 2.52 N ATOM 0 H LYS A 58 2.140 10.720 6.230 1.00 0.24 H new ATOM 0 HA LYS A 58 3.168 13.397 6.025 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.166 12.806 7.378 1.00 0.39 H new ATOM 0 HB3 LYS A 58 2.166 11.820 8.426 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.544 13.948 8.876 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.259 14.832 8.076 1.00 0.50 H new ATOM 0 HD2 LYS A 58 0.613 13.955 9.700 1.00 1.34 H new ATOM 0 HD3 LYS A 58 1.862 13.003 10.478 1.00 1.34 H new ATOM 0 HE2 LYS A 58 3.125 15.223 10.844 1.00 1.93 H new ATOM 0 HE3 LYS A 58 1.648 16.031 10.357 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 1.772 15.799 12.748 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 0.469 14.893 12.143 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 1.901 14.111 12.615 1.00 2.52 H new ATOM 454 N GLU A 59 4.776 11.054 7.723 1.00 0.26 N ATOM 455 CA GLU A 59 6.025 10.732 8.390 1.00 0.25 C ATOM 456 C GLU A 59 7.087 10.408 7.351 1.00 0.21 C ATOM 457 O GLU A 59 8.278 10.519 7.608 1.00 0.24 O ATOM 458 CB GLU A 59 5.849 9.562 9.358 1.00 0.31 C ATOM 459 CG GLU A 59 6.478 8.267 8.885 1.00 0.43 C ATOM 460 CD GLU A 59 6.447 7.200 9.958 1.00 0.76 C ATOM 461 OE1 GLU A 59 7.013 7.424 11.046 1.00 0.98 O ATOM 462 OE2 GLU A 59 5.888 6.108 9.703 1.00 0.97 O ATOM 0 H GLU A 59 4.113 10.281 7.665 1.00 0.26 H new ATOM 0 HA GLU A 59 6.342 11.597 8.972 1.00 0.25 H new ATOM 0 HB2 GLU A 59 6.282 9.833 10.321 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.784 9.397 9.522 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.950 7.909 8.001 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.510 8.452 8.587 1.00 0.43 H new ATOM 469 N GLN A 60 6.633 10.001 6.182 1.00 0.19 N ATOM 470 CA GLN A 60 7.498 9.779 5.043 1.00 0.19 C ATOM 471 C GLN A 60 8.307 11.037 4.807 1.00 0.22 C ATOM 472 O GLN A 60 9.527 11.010 4.738 1.00 0.23 O ATOM 473 CB GLN A 60 6.633 9.465 3.827 1.00 0.21 C ATOM 474 CG GLN A 60 7.348 8.749 2.707 1.00 0.28 C ATOM 475 CD GLN A 60 6.377 8.323 1.628 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.200 8.082 1.896 1.00 0.90 O ATOM 477 NE2 GLN A 60 6.857 8.222 0.410 1.00 0.26 N ATOM 0 H GLN A 60 5.648 9.814 5.996 1.00 0.19 H new ATOM 0 HA GLN A 60 8.175 8.944 5.222 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.788 8.855 4.148 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.224 10.398 3.440 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.108 9.403 2.279 1.00 0.28 H new ATOM 0 HG3 GLN A 60 7.865 7.874 3.102 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.839 8.431 0.230 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.248 7.935 -0.356 1.00 0.26 H new ATOM 486 N GLN A 61 7.596 12.148 4.752 1.00 0.28 N ATOM 487 CA GLN A 61 8.215 13.462 4.633 1.00 0.34 C ATOM 488 C GLN A 61 9.123 13.725 5.836 1.00 0.34 C ATOM 489 O GLN A 61 10.216 14.277 5.704 1.00 0.37 O ATOM 490 CB GLN A 61 7.132 14.534 4.578 1.00 0.45 C ATOM 491 CG GLN A 61 6.137 14.337 3.443 1.00 0.58 C ATOM 492 CD GLN A 61 6.784 14.415 2.073 1.00 0.77 C ATOM 493 OE1 GLN A 61 6.848 15.481 1.467 1.00 1.23 O ATOM 494 NE2 GLN A 61 7.272 13.286 1.578 1.00 1.12 N ATOM 0 H GLN A 61 6.577 12.169 4.788 1.00 0.28 H new ATOM 0 HA GLN A 61 8.809 13.491 3.720 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.593 14.543 5.525 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.604 15.511 4.471 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.652 13.368 3.556 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.357 15.094 3.515 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.199 12.421 2.113 1.00 1.12 H new ATOM 0 HE22 GLN A 61 7.721 13.283 0.662 1.00 1.12 H new ATOM 503 N ARG A 62 8.648 13.313 7.011 1.00 0.34 N ATOM 504 CA ARG A 62 9.352 13.540 8.274 1.00 0.39 C ATOM 505 C ARG A 62 10.705 12.838 8.285 1.00 0.36 C ATOM 506 O ARG A 62 11.738 13.457 8.507 1.00 0.41 O ATOM 507 CB ARG A 62 8.513 13.017 9.441 1.00 0.44 C ATOM 508 CG ARG A 62 8.922 13.567 10.801 1.00 0.58 C ATOM 509 CD ARG A 62 8.311 14.936 11.081 1.00 1.13 C ATOM 510 NE ARG A 62 8.644 15.934 10.063 1.00 1.93 N ATOM 511 CZ ARG A 62 8.508 17.247 10.236 1.00 2.74 C ATOM 512 NH1 ARG A 62 8.146 17.734 11.416 1.00 2.99 N ATOM 513 NH2 ARG A 62 8.776 18.073 9.237 1.00 3.73 N ATOM 0 H ARG A 62 7.765 12.813 7.115 1.00 0.34 H new ATOM 0 HA ARG A 62 9.511 14.613 8.378 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.467 13.265 9.261 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.583 11.930 9.465 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.615 12.869 11.580 1.00 0.58 H new ATOM 0 HG3 ARG A 62 10.008 13.640 10.849 1.00 0.58 H new ATOM 0 HD2 ARG A 62 7.227 14.837 11.143 1.00 1.13 H new ATOM 0 HD3 ARG A 62 8.655 15.289 12.053 1.00 1.13 H new ATOM 0 HE ARG A 62 9.002 15.603 9.167 1.00 1.93 H new ATOM 0 HH11 ARG A 62 7.970 17.101 12.197 1.00 2.99 H new ATOM 0 HH12 ARG A 62 8.043 18.741 11.542 1.00 2.99 H new ATOM 0 HH21 ARG A 62 9.086 17.703 8.338 1.00 3.73 H new ATOM 0 HH22 ARG A 62 8.673 19.080 9.366 1.00 3.73 H new ATOM 527 N LEU A 63 10.674 11.537 8.034 1.00 0.30 N ATOM 528 CA LEU A 63 11.853 10.692 8.056 1.00 0.32 C ATOM 529 C LEU A 63 12.678 10.851 6.799 1.00 0.31 C ATOM 530 O LEU A 63 13.590 10.066 6.537 1.00 0.37 O ATOM 531 CB LEU A 63 11.434 9.236 8.271 1.00 0.33 C ATOM 532 CG LEU A 63 10.969 8.905 9.696 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.737 9.691 10.093 1.00 1.01 C ATOM 534 CD2 LEU A 63 10.716 7.417 9.848 1.00 0.65 C ATOM 0 H LEU A 63 9.816 11.035 7.807 1.00 0.30 H new ATOM 0 HA LEU A 63 12.488 11.002 8.886 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.629 8.998 7.576 1.00 0.33 H new ATOM 0 HB3 LEU A 63 12.274 8.589 8.018 1.00 0.33 H new ATOM 0 HG LEU A 63 11.775 9.198 10.369 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.446 9.423 11.109 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.956 10.758 10.048 1.00 1.01 H new ATOM 0 HD13 LEU A 63 8.921 9.459 9.409 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.387 7.206 10.866 1.00 0.65 H new ATOM 0 HD22 LEU A 63 9.943 7.106 9.145 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.635 6.869 9.642 1.00 0.65 H new ATOM 546 N GLY A 64 12.366 11.885 6.036 1.00 0.28 N ATOM 547 CA GLY A 64 13.117 12.174 4.837 1.00 0.30 C ATOM 548 C GLY A 64 13.000 11.055 3.843 1.00 0.27 C ATOM 549 O GLY A 64 13.893 10.827 3.026 1.00 0.33 O ATOM 0 H GLY A 64 11.601 12.532 6.228 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.754 13.100 4.391 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.165 12.332 5.090 1.00 0.30 H new ATOM 553 N ILE A 65 11.898 10.332 3.937 1.00 0.22 N ATOM 554 CA ILE A 65 11.636 9.248 3.037 1.00 0.20 C ATOM 555 C ILE A 65 11.026 9.810 1.758 1.00 0.21 C ATOM 556 O ILE A 65 10.006 10.497 1.808 1.00 0.23 O ATOM 557 CB ILE A 65 10.686 8.179 3.630 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.261 7.599 4.924 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.438 7.067 2.618 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.530 6.363 5.415 1.00 0.20 C ATOM 0 H ILE A 65 11.172 10.486 4.637 1.00 0.22 H new ATOM 0 HA ILE A 65 12.586 8.751 2.840 1.00 0.20 H new ATOM 0 HB ILE A 65 9.736 8.660 3.862 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.311 7.351 4.766 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.228 8.363 5.701 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.768 6.324 3.051 1.00 0.19 H new ATOM 0 HG22 ILE A 65 9.983 7.486 1.721 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.385 6.594 2.358 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.993 6.008 6.336 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.486 6.610 5.606 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.586 5.582 4.657 1.00 0.20 H new ATOM 572 N PRO A 66 11.662 9.548 0.610 1.00 0.24 N ATOM 573 CA PRO A 66 11.176 10.009 -0.693 1.00 0.27 C ATOM 574 C PRO A 66 9.689 9.709 -0.886 1.00 0.22 C ATOM 575 O PRO A 66 9.245 8.604 -0.613 1.00 0.23 O ATOM 576 CB PRO A 66 12.005 9.189 -1.680 1.00 0.35 C ATOM 577 CG PRO A 66 13.256 8.826 -0.956 1.00 0.26 C ATOM 578 CD PRO A 66 12.921 8.788 0.506 1.00 0.31 C ATOM 0 HA PRO A 66 11.277 11.088 -0.814 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.465 8.297 -1.998 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.226 9.765 -2.578 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.629 7.858 -1.292 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.041 9.556 -1.153 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.798 7.764 0.860 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.710 9.240 1.107 1.00 0.31 H new ATOM 586 N LYS A 67 8.926 10.710 -1.318 1.00 0.25 N ATOM 587 CA LYS A 67 7.482 10.555 -1.541 1.00 0.27 C ATOM 588 C LYS A 67 7.163 9.488 -2.592 1.00 0.25 C ATOM 589 O LYS A 67 6.083 8.903 -2.586 1.00 0.36 O ATOM 590 CB LYS A 67 6.863 11.890 -1.965 1.00 0.43 C ATOM 591 CG LYS A 67 7.613 12.574 -3.095 1.00 1.04 C ATOM 592 CD LYS A 67 6.754 13.608 -3.812 1.00 1.15 C ATOM 593 CE LYS A 67 6.442 14.808 -2.929 1.00 1.67 C ATOM 594 NZ LYS A 67 5.580 15.798 -3.625 1.00 2.42 N ATOM 0 H LYS A 67 9.282 11.644 -1.523 1.00 0.25 H new ATOM 0 HA LYS A 67 7.050 10.228 -0.595 1.00 0.27 H new ATOM 0 HB2 LYS A 67 5.831 11.721 -2.274 1.00 0.43 H new ATOM 0 HB3 LYS A 67 6.833 12.557 -1.104 1.00 0.43 H new ATOM 0 HG2 LYS A 67 8.505 13.058 -2.696 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.950 11.825 -3.811 1.00 1.04 H new ATOM 0 HD2 LYS A 67 7.269 13.945 -4.712 1.00 1.15 H new ATOM 0 HD3 LYS A 67 5.822 13.144 -4.134 1.00 1.15 H new ATOM 0 HE2 LYS A 67 5.945 14.470 -2.019 1.00 1.67 H new ATOM 0 HE3 LYS A 67 7.373 15.287 -2.625 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 5.911 16.760 -3.408 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 5.627 15.638 -4.652 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 4.597 15.690 -3.303 1.00 2.42 H new ATOM 608 N ASP A 68 8.111 9.244 -3.478 1.00 0.28 N ATOM 609 CA ASP A 68 7.947 8.265 -4.548 1.00 0.28 C ATOM 610 C ASP A 68 8.534 6.945 -4.084 1.00 0.21 C ATOM 611 O ASP A 68 9.355 6.929 -3.181 1.00 0.23 O ATOM 612 CB ASP A 68 8.672 8.781 -5.801 1.00 0.39 C ATOM 613 CG ASP A 68 8.233 8.117 -7.089 1.00 1.12 C ATOM 614 OD1 ASP A 68 8.722 7.010 -7.382 1.00 1.88 O ATOM 615 OD2 ASP A 68 7.382 8.681 -7.802 1.00 1.65 O ATOM 0 H ASP A 68 9.016 9.715 -3.480 1.00 0.28 H new ATOM 0 HA ASP A 68 6.895 8.117 -4.790 1.00 0.28 H new ATOM 0 HB2 ASP A 68 8.509 9.855 -5.885 1.00 0.39 H new ATOM 0 HB3 ASP A 68 9.744 8.630 -5.675 1.00 0.39 H new ATOM 620 N PRO A 69 8.071 5.815 -4.626 1.00 0.19 N ATOM 621 CA PRO A 69 8.659 4.514 -4.328 1.00 0.20 C ATOM 622 C PRO A 69 9.850 4.161 -5.215 1.00 0.26 C ATOM 623 O PRO A 69 10.727 3.441 -4.783 1.00 0.65 O ATOM 624 CB PRO A 69 7.504 3.562 -4.601 1.00 0.40 C ATOM 625 CG PRO A 69 6.721 4.213 -5.689 1.00 0.37 C ATOM 626 CD PRO A 69 6.884 5.698 -5.500 1.00 0.22 C ATOM 0 HA PRO A 69 9.060 4.477 -3.315 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.865 2.580 -4.907 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.895 3.414 -3.710 1.00 0.40 H new ATOM 0 HG2 PRO A 69 7.086 3.904 -6.668 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.670 3.928 -5.636 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.036 6.208 -6.451 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.002 6.142 -5.038 1.00 0.22 H new ATOM 634 N ARG A 70 9.903 4.721 -6.419 1.00 0.20 N ATOM 635 CA ARG A 70 10.849 4.279 -7.466 1.00 0.26 C ATOM 636 C ARG A 70 12.325 4.554 -7.131 1.00 0.19 C ATOM 637 O ARG A 70 13.198 4.346 -7.971 1.00 0.27 O ATOM 638 CB ARG A 70 10.526 4.952 -8.806 1.00 0.46 C ATOM 639 CG ARG A 70 9.405 4.304 -9.609 1.00 0.96 C ATOM 640 CD ARG A 70 8.043 4.447 -8.944 1.00 0.87 C ATOM 641 NE ARG A 70 6.975 4.530 -9.938 1.00 1.06 N ATOM 642 CZ ARG A 70 6.342 5.660 -10.266 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.613 6.798 -9.640 1.00 1.89 N ATOM 644 NH2 ARG A 70 5.427 5.646 -11.223 1.00 1.79 N ATOM 0 H ARG A 70 9.299 5.491 -6.707 1.00 0.20 H new ATOM 0 HA ARG A 70 10.720 3.198 -7.528 1.00 0.26 H new ATOM 0 HB2 ARG A 70 10.260 5.992 -8.616 1.00 0.46 H new ATOM 0 HB3 ARG A 70 11.429 4.960 -9.416 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.369 4.754 -10.601 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.628 3.246 -9.746 1.00 0.96 H new ATOM 0 HD2 ARG A 70 7.866 3.596 -8.286 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.032 5.340 -8.320 1.00 0.87 H new ATOM 0 HE ARG A 70 6.695 3.671 -10.411 1.00 1.06 H new ATOM 0 HH11 ARG A 70 7.312 6.818 -8.898 1.00 1.89 H new ATOM 0 HH12 ARG A 70 6.122 7.653 -9.901 1.00 1.89 H new ATOM 0 HH21 ARG A 70 5.208 4.775 -11.706 1.00 1.79 H new ATOM 0 HH22 ARG A 70 4.941 6.506 -11.477 1.00 1.79 H new ATOM 658 N GLN A 71 12.601 5.015 -5.928 1.00 0.16 N ATOM 659 CA GLN A 71 13.974 5.330 -5.529 1.00 0.16 C ATOM 660 C GLN A 71 14.203 5.019 -4.056 1.00 0.15 C ATOM 661 O GLN A 71 15.172 5.482 -3.447 1.00 0.18 O ATOM 662 CB GLN A 71 14.283 6.810 -5.788 1.00 0.20 C ATOM 663 CG GLN A 71 13.713 7.739 -4.730 1.00 0.38 C ATOM 664 CD GLN A 71 12.215 7.624 -4.611 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.753 6.646 -3.835 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.483 8.365 -5.249 1.00 0.29 N flip ATOM 0 H GLN A 71 11.901 5.182 -5.205 1.00 0.16 H new ATOM 0 HA GLN A 71 14.641 4.709 -6.127 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.364 6.945 -5.836 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.883 7.092 -6.762 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.170 7.512 -3.767 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.977 8.768 -4.973 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.884 9.101 -5.830 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.471 8.248 -5.200 1.00 0.29 H new ATOM 675 N TRP A 72 13.324 4.222 -3.482 1.00 0.12 N ATOM 676 CA TRP A 72 13.383 3.930 -2.065 1.00 0.11 C ATOM 677 C TRP A 72 14.479 2.928 -1.773 1.00 0.12 C ATOM 678 O TRP A 72 14.983 2.265 -2.669 1.00 0.14 O ATOM 679 CB TRP A 72 12.042 3.330 -1.630 1.00 0.11 C ATOM 680 CG TRP A 72 11.049 4.305 -1.112 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.239 5.619 -0.829 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.690 4.016 -0.805 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.068 6.166 -0.373 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.100 5.200 -0.353 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.915 2.866 -0.880 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.763 5.265 0.028 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.594 2.927 -0.503 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.028 4.118 -0.058 1.00 0.10 C ATOM 0 H TRP A 72 12.559 3.764 -3.977 1.00 0.12 H new ATOM 0 HA TRP A 72 13.591 4.852 -1.522 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.604 2.807 -2.480 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.230 2.583 -0.859 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.171 6.152 -0.945 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.939 7.138 -0.093 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.343 1.938 -1.229 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.324 6.187 0.378 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 6.986 2.036 -0.553 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.986 4.135 0.225 1.00 0.10 H new ATOM 699 N THR A 73 14.908 2.880 -0.533 1.00 0.14 N ATOM 700 CA THR A 73 15.778 1.823 -0.086 1.00 0.15 C ATOM 701 C THR A 73 14.939 0.638 0.362 1.00 0.15 C ATOM 702 O THR A 73 13.720 0.776 0.515 1.00 0.16 O ATOM 703 CB THR A 73 16.652 2.304 1.079 1.00 0.18 C ATOM 704 OG1 THR A 73 15.813 2.774 2.143 1.00 0.19 O ATOM 705 CG2 THR A 73 17.583 3.421 0.640 1.00 0.21 C ATOM 0 H THR A 73 14.666 3.564 0.184 1.00 0.14 H new ATOM 0 HA THR A 73 16.427 1.527 -0.910 1.00 0.15 H new ATOM 0 HB THR A 73 17.258 1.466 1.422 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.634 3.730 2.021 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.190 3.742 1.486 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.233 3.061 -0.157 1.00 0.21 H new ATOM 0 HG23 THR A 73 16.995 4.263 0.276 1.00 0.21 H new ATOM 713 N GLU A 74 15.567 -0.506 0.584 1.00 0.17 N ATOM 714 CA GLU A 74 14.850 -1.673 1.076 1.00 0.20 C ATOM 715 C GLU A 74 14.186 -1.364 2.418 1.00 0.19 C ATOM 716 O GLU A 74 13.121 -1.898 2.739 1.00 0.28 O ATOM 717 CB GLU A 74 15.794 -2.876 1.188 1.00 0.29 C ATOM 718 CG GLU A 74 17.041 -2.610 2.018 1.00 1.25 C ATOM 719 CD GLU A 74 18.007 -3.777 2.012 1.00 1.79 C ATOM 720 OE1 GLU A 74 17.880 -4.665 2.877 1.00 1.99 O ATOM 721 OE2 GLU A 74 18.898 -3.816 1.135 1.00 2.67 O ATOM 0 H GLU A 74 16.565 -0.652 0.433 1.00 0.17 H new ATOM 0 HA GLU A 74 14.066 -1.928 0.363 1.00 0.20 H new ATOM 0 HB2 GLU A 74 15.250 -3.712 1.627 1.00 0.29 H new ATOM 0 HB3 GLU A 74 16.095 -3.183 0.186 1.00 0.29 H new ATOM 0 HG2 GLU A 74 17.546 -1.724 1.634 1.00 1.25 H new ATOM 0 HG3 GLU A 74 16.749 -2.391 3.045 1.00 1.25 H new ATOM 728 N THR A 75 14.796 -0.454 3.175 1.00 0.18 N ATOM 729 CA THR A 75 14.264 -0.050 4.463 1.00 0.21 C ATOM 730 C THR A 75 13.029 0.833 4.285 1.00 0.17 C ATOM 731 O THR A 75 12.035 0.662 4.988 1.00 0.20 O ATOM 732 CB THR A 75 15.318 0.720 5.277 1.00 0.29 C ATOM 733 OG1 THR A 75 16.573 0.025 5.224 1.00 0.47 O ATOM 734 CG2 THR A 75 14.883 0.866 6.728 1.00 0.47 C ATOM 0 H THR A 75 15.662 0.016 2.912 1.00 0.18 H new ATOM 0 HA THR A 75 13.988 -0.957 5.001 1.00 0.21 H new ATOM 0 HB THR A 75 15.426 1.714 4.844 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.243 0.519 5.742 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.645 1.414 7.283 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.940 1.411 6.772 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.752 -0.122 7.170 1.00 0.47 H new ATOM 742 N HIS A 76 13.077 1.736 3.301 1.00 0.14 N ATOM 743 CA HIS A 76 12.001 2.710 3.101 1.00 0.12 C ATOM 744 C HIS A 76 10.761 2.014 2.562 1.00 0.10 C ATOM 745 O HIS A 76 9.639 2.283 2.998 1.00 0.10 O ATOM 746 CB HIS A 76 12.438 3.832 2.145 1.00 0.14 C ATOM 747 CG HIS A 76 13.403 4.806 2.752 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.355 5.486 2.022 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.545 5.228 4.031 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.039 6.279 2.822 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.566 6.144 4.046 1.00 0.19 N ATOM 0 H HIS A 76 13.845 1.812 2.634 1.00 0.14 H new ATOM 0 HA HIS A 76 11.768 3.161 4.065 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.895 3.386 1.262 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.554 4.374 1.808 1.00 0.14 H new ATOM 0 HD2 HIS A 76 12.963 4.904 4.881 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.849 6.929 2.526 1.00 0.22 H new ATOM 0 HE2 HIS A 76 14.905 6.640 4.870 1.00 0.19 H new ATOM 760 N VAL A 77 10.982 1.104 1.624 1.00 0.09 N ATOM 761 CA VAL A 77 9.914 0.304 1.064 1.00 0.07 C ATOM 762 C VAL A 77 9.233 -0.502 2.161 1.00 0.08 C ATOM 763 O VAL A 77 8.026 -0.414 2.347 1.00 0.08 O ATOM 764 CB VAL A 77 10.455 -0.653 -0.022 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.401 -1.674 -0.418 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.932 0.133 -1.242 1.00 0.08 C ATOM 0 H VAL A 77 11.903 0.904 1.235 1.00 0.09 H new ATOM 0 HA VAL A 77 9.190 0.978 0.606 1.00 0.07 H new ATOM 0 HB VAL A 77 11.307 -1.191 0.393 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.805 -2.336 -1.184 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.116 -2.260 0.456 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.524 -1.159 -0.810 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.309 -0.558 -1.995 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.100 0.702 -1.656 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.728 0.817 -0.946 1.00 0.08 H new ATOM 776 N ARG A 78 10.032 -1.250 2.914 1.00 0.09 N ATOM 777 CA ARG A 78 9.516 -2.151 3.937 1.00 0.11 C ATOM 778 C ARG A 78 8.798 -1.385 5.049 1.00 0.10 C ATOM 779 O ARG A 78 7.859 -1.900 5.658 1.00 0.14 O ATOM 780 CB ARG A 78 10.665 -2.967 4.512 1.00 0.18 C ATOM 781 CG ARG A 78 10.330 -4.439 4.705 1.00 0.37 C ATOM 782 CD ARG A 78 11.582 -5.292 4.724 1.00 0.40 C ATOM 783 NE ARG A 78 12.182 -5.402 3.393 1.00 1.11 N ATOM 784 CZ ARG A 78 13.481 -5.592 3.165 1.00 1.43 C ATOM 785 NH1 ARG A 78 14.345 -5.664 4.171 1.00 1.57 N ATOM 786 NH2 ARG A 78 13.918 -5.698 1.918 1.00 2.21 N ATOM 0 H ARG A 78 11.049 -1.249 2.833 1.00 0.09 H new ATOM 0 HA ARG A 78 8.786 -2.817 3.477 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.527 -2.883 3.850 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.958 -2.541 5.472 1.00 0.18 H new ATOM 0 HG2 ARG A 78 9.784 -4.570 5.639 1.00 0.37 H new ATOM 0 HG3 ARG A 78 9.673 -4.773 3.902 1.00 0.37 H new ATOM 0 HD2 ARG A 78 12.306 -4.860 5.415 1.00 0.40 H new ATOM 0 HD3 ARG A 78 11.339 -6.287 5.097 1.00 0.40 H new ATOM 0 HE ARG A 78 11.564 -5.328 2.585 1.00 1.11 H new ATOM 0 HH11 ARG A 78 14.017 -5.574 5.133 1.00 1.57 H new ATOM 0 HH12 ARG A 78 15.337 -5.810 3.982 1.00 1.57 H new ATOM 0 HH21 ARG A 78 13.261 -5.634 1.140 1.00 2.21 H new ATOM 0 HH22 ARG A 78 14.911 -5.843 1.736 1.00 2.21 H new ATOM 800 N ASP A 79 9.244 -0.156 5.291 1.00 0.11 N ATOM 801 CA ASP A 79 8.604 0.742 6.249 1.00 0.12 C ATOM 802 C ASP A 79 7.167 0.985 5.844 1.00 0.11 C ATOM 803 O ASP A 79 6.226 0.792 6.625 1.00 0.12 O ATOM 804 CB ASP A 79 9.334 2.084 6.280 1.00 0.16 C ATOM 805 CG ASP A 79 10.481 2.119 7.269 1.00 0.57 C ATOM 806 OD1 ASP A 79 10.356 1.512 8.354 1.00 1.05 O ATOM 807 OD2 ASP A 79 11.517 2.740 6.961 1.00 0.95 O ATOM 0 H ASP A 79 10.059 0.246 4.829 1.00 0.11 H new ATOM 0 HA ASP A 79 8.641 0.279 7.235 1.00 0.12 H new ATOM 0 HB2 ASP A 79 9.716 2.305 5.283 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.623 2.871 6.531 1.00 0.16 H new ATOM 812 N TRP A 80 7.009 1.361 4.590 1.00 0.10 N ATOM 813 CA TRP A 80 5.715 1.680 4.036 1.00 0.09 C ATOM 814 C TRP A 80 4.905 0.405 3.866 1.00 0.09 C ATOM 815 O TRP A 80 3.674 0.412 3.958 1.00 0.09 O ATOM 816 CB TRP A 80 5.942 2.383 2.700 1.00 0.09 C ATOM 817 CG TRP A 80 4.850 2.212 1.710 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.761 3.006 1.531 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.767 1.173 0.735 1.00 0.09 C ATOM 820 NE1 TRP A 80 3.008 2.524 0.489 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.609 1.398 -0.011 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.569 0.072 0.423 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.232 0.566 -1.057 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.192 -0.755 -0.609 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.033 -0.502 -1.342 1.00 0.10 C ATOM 0 H TRP A 80 7.779 1.453 3.928 1.00 0.10 H new ATOM 0 HA TRP A 80 5.152 2.338 4.698 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.081 3.448 2.886 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.869 2.012 2.264 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.525 3.881 2.118 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.142 2.937 0.143 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.471 -0.126 0.983 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.334 0.758 -1.626 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.802 -1.612 -0.855 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.764 -1.164 -2.151 1.00 0.10 H new ATOM 836 N VAL A 81 5.628 -0.687 3.653 1.00 0.10 N ATOM 837 CA VAL A 81 5.036 -2.000 3.482 1.00 0.11 C ATOM 838 C VAL A 81 4.256 -2.376 4.730 1.00 0.11 C ATOM 839 O VAL A 81 3.051 -2.610 4.690 1.00 0.11 O ATOM 840 CB VAL A 81 6.137 -3.056 3.207 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.684 -4.461 3.567 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.576 -3.006 1.752 1.00 0.14 C ATOM 0 H VAL A 81 6.646 -0.683 3.594 1.00 0.10 H new ATOM 0 HA VAL A 81 4.359 -1.974 2.629 1.00 0.11 H new ATOM 0 HB VAL A 81 6.985 -2.808 3.846 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.487 -5.167 3.358 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.432 -4.502 4.627 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.807 -4.723 2.975 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.349 -3.755 1.579 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.722 -3.211 1.107 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.972 -2.016 1.525 1.00 0.14 H new ATOM 852 N MET A 82 4.951 -2.398 5.845 1.00 0.11 N ATOM 853 CA MET A 82 4.318 -2.712 7.107 1.00 0.12 C ATOM 854 C MET A 82 3.398 -1.609 7.592 1.00 0.11 C ATOM 855 O MET A 82 2.640 -1.839 8.505 1.00 0.12 O ATOM 856 CB MET A 82 5.325 -3.048 8.192 1.00 0.15 C ATOM 857 CG MET A 82 6.409 -2.003 8.371 1.00 0.13 C ATOM 858 SD MET A 82 7.141 -2.040 10.017 1.00 0.49 S ATOM 859 CE MET A 82 7.325 -3.802 10.269 1.00 0.42 C ATOM 0 H MET A 82 5.950 -2.203 5.904 1.00 0.11 H new ATOM 0 HA MET A 82 3.713 -3.597 6.909 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.797 -3.175 9.137 1.00 0.15 H new ATOM 0 HB3 MET A 82 5.792 -4.005 7.957 1.00 0.15 H new ATOM 0 HG2 MET A 82 7.189 -2.163 7.627 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.990 -1.014 8.186 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.968 -3.981 11.131 1.00 0.42 H new ATOM 0 HE2 MET A 82 6.347 -4.248 10.447 1.00 0.42 H new ATOM 0 HE3 MET A 82 7.773 -4.251 9.383 1.00 0.42 H new ATOM 869 N TRP A 83 3.464 -0.403 7.045 1.00 0.09 N ATOM 870 CA TRP A 83 2.562 0.641 7.532 1.00 0.09 C ATOM 871 C TRP A 83 1.104 0.338 7.180 1.00 0.09 C ATOM 872 O TRP A 83 0.260 0.229 8.070 1.00 0.11 O ATOM 873 CB TRP A 83 2.946 2.031 7.014 1.00 0.09 C ATOM 874 CG TRP A 83 1.974 3.088 7.430 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.953 3.763 8.612 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.869 3.580 6.667 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.913 4.661 8.622 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.231 4.564 7.440 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.365 3.286 5.401 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.886 5.256 6.983 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.742 3.969 4.950 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.357 4.943 5.738 1.00 0.15 C ATOM 0 H TRP A 83 4.100 -0.126 6.297 1.00 0.09 H new ATOM 0 HA TRP A 83 2.665 0.646 8.617 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.939 2.290 7.382 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.006 2.006 5.926 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.651 3.615 9.423 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.686 5.297 9.387 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.835 2.535 4.784 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.363 6.012 7.589 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.141 3.748 3.971 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.224 5.461 5.356 1.00 0.15 H new ATOM 893 N ALA A 84 0.789 0.202 5.901 1.00 0.09 N ATOM 894 CA ALA A 84 -0.586 -0.108 5.532 1.00 0.10 C ATOM 895 C ALA A 84 -0.949 -1.459 6.132 1.00 0.10 C ATOM 896 O ALA A 84 -2.053 -1.668 6.626 1.00 0.12 O ATOM 897 CB ALA A 84 -0.793 -0.086 4.020 1.00 0.12 C ATOM 0 H ALA A 84 1.441 0.297 5.123 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.248 0.660 5.931 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.832 -0.323 3.792 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.553 0.905 3.634 1.00 0.12 H new ATOM 0 HB3 ALA A 84 -0.142 -0.825 3.553 1.00 0.12 H new ATOM 903 N VAL A 85 0.034 -2.343 6.133 1.00 0.10 N ATOM 904 CA VAL A 85 -0.076 -3.643 6.770 1.00 0.11 C ATOM 905 C VAL A 85 -0.388 -3.553 8.274 1.00 0.13 C ATOM 906 O VAL A 85 -1.351 -4.159 8.738 1.00 0.14 O ATOM 907 CB VAL A 85 1.223 -4.459 6.537 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.431 -5.523 7.607 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.202 -5.100 5.162 1.00 0.14 C ATOM 0 H VAL A 85 0.937 -2.177 5.689 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.921 -4.152 6.307 1.00 0.11 H new ATOM 0 HB VAL A 85 2.059 -3.763 6.600 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.352 -6.069 7.403 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.500 -5.047 8.585 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.589 -6.216 7.600 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.119 -5.669 5.012 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.344 -5.768 5.085 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.128 -4.324 4.400 1.00 0.14 H new ATOM 919 N ASN A 86 0.415 -2.818 9.038 1.00 0.15 N ATOM 920 CA ASN A 86 0.304 -2.866 10.494 1.00 0.19 C ATOM 921 C ASN A 86 -0.926 -2.141 11.018 1.00 0.23 C ATOM 922 O ASN A 86 -1.399 -2.447 12.111 1.00 0.27 O ATOM 923 CB ASN A 86 1.577 -2.378 11.206 1.00 0.23 C ATOM 924 CG ASN A 86 1.665 -0.873 11.396 1.00 0.34 C ATOM 925 OD1 ASN A 86 1.210 -0.123 10.420 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 2.172 -0.392 12.408 1.00 0.32 N flip ATOM 0 H ASN A 86 1.138 -2.192 8.682 1.00 0.15 H new ATOM 0 HA ASN A 86 0.183 -3.922 10.736 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.636 -2.857 12.183 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.445 -2.709 10.636 1.00 0.23 H new ATOM 0 HD21 ASN A 86 2.515 -1.005 13.147 1.00 0.32 H new ATOM 0 HD22 ASN A 86 2.249 0.620 12.508 1.00 0.32 H new ATOM 933 N GLU A 87 -1.459 -1.195 10.255 1.00 0.24 N ATOM 934 CA GLU A 87 -2.682 -0.527 10.667 1.00 0.31 C ATOM 935 C GLU A 87 -3.846 -1.455 10.407 1.00 0.28 C ATOM 936 O GLU A 87 -4.750 -1.615 11.224 1.00 0.35 O ATOM 937 CB GLU A 87 -2.902 0.780 9.911 1.00 0.38 C ATOM 938 CG GLU A 87 -4.115 1.536 10.424 1.00 1.23 C ATOM 939 CD GLU A 87 -4.358 2.837 9.702 1.00 1.35 C ATOM 940 OE1 GLU A 87 -5.067 2.831 8.679 1.00 2.15 O ATOM 941 OE2 GLU A 87 -3.868 3.882 10.176 1.00 1.08 O ATOM 0 H GLU A 87 -1.072 -0.879 9.366 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.601 -0.285 11.727 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.016 1.408 10.007 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -3.029 0.568 8.849 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -4.997 0.903 10.325 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -3.985 1.738 11.487 1.00 1.23 H new ATOM 948 N PHE A 88 -3.775 -2.083 9.248 1.00 0.23 N ATOM 949 CA PHE A 88 -4.802 -2.983 8.768 1.00 0.23 C ATOM 950 C PHE A 88 -4.732 -4.335 9.456 1.00 0.25 C ATOM 951 O PHE A 88 -5.496 -5.246 9.135 1.00 0.30 O ATOM 952 CB PHE A 88 -4.622 -3.146 7.268 1.00 0.24 C ATOM 953 CG PHE A 88 -5.225 -2.018 6.485 1.00 0.28 C ATOM 954 CD1 PHE A 88 -4.991 -0.701 6.846 1.00 0.42 C ATOM 955 CD2 PHE A 88 -6.045 -2.276 5.405 1.00 0.41 C ATOM 956 CE1 PHE A 88 -5.562 0.334 6.142 1.00 0.50 C ATOM 957 CE2 PHE A 88 -6.622 -1.245 4.698 1.00 0.47 C ATOM 958 CZ PHE A 88 -6.380 0.060 5.068 1.00 0.45 C ATOM 0 H PHE A 88 -2.990 -1.979 8.606 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.781 -2.562 8.995 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.558 -3.213 7.039 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.076 -4.085 6.952 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -4.353 -0.484 7.690 1.00 0.42 H new ATOM 0 HD2 PHE A 88 -6.236 -3.298 5.111 1.00 0.41 H new ATOM 0 HE1 PHE A 88 -5.370 1.357 6.430 1.00 0.50 H new ATOM 0 HE2 PHE A 88 -7.263 -1.459 3.855 1.00 0.47 H new ATOM 0 HZ PHE A 88 -6.833 0.870 4.515 1.00 0.45 H new ATOM 968 N SER A 89 -3.797 -4.448 10.397 1.00 0.27 N ATOM 969 CA SER A 89 -3.551 -5.676 11.140 1.00 0.34 C ATOM 970 C SER A 89 -3.349 -6.850 10.189 1.00 0.36 C ATOM 971 O SER A 89 -3.814 -7.960 10.446 1.00 0.48 O ATOM 972 CB SER A 89 -4.678 -5.957 12.154 1.00 0.45 C ATOM 973 OG SER A 89 -5.950 -6.082 11.529 1.00 1.07 O ATOM 0 H SER A 89 -3.183 -3.679 10.666 1.00 0.27 H new ATOM 0 HA SER A 89 -2.632 -5.545 11.711 1.00 0.34 H new ATOM 0 HB2 SER A 89 -4.452 -6.873 12.699 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.714 -5.151 12.887 1.00 0.45 H new ATOM 0 HG SER A 89 -5.832 -6.162 10.559 1.00 1.07 H new ATOM 979 N LEU A 90 -2.646 -6.598 9.082 1.00 0.31 N ATOM 980 CA LEU A 90 -2.359 -7.643 8.118 1.00 0.40 C ATOM 981 C LEU A 90 -1.313 -8.548 8.730 1.00 0.59 C ATOM 982 O LEU A 90 -1.462 -9.767 8.731 1.00 1.23 O ATOM 983 CB LEU A 90 -1.866 -7.011 6.798 1.00 0.33 C ATOM 984 CG LEU A 90 -2.749 -5.852 6.309 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.252 -5.296 4.991 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.194 -6.312 6.175 1.00 0.27 C ATOM 0 H LEU A 90 -2.270 -5.681 8.839 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.250 -8.225 7.883 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.847 -6.649 6.936 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.829 -7.780 6.027 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.695 -5.054 7.050 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -2.899 -4.478 4.674 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.234 -4.927 5.113 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.265 -6.082 4.236 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.809 -5.482 5.828 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.250 -7.130 5.457 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.558 -6.654 7.144 1.00 0.27 H new ATOM 998 N LYS A 91 -0.292 -7.896 9.299 1.00 0.24 N ATOM 999 CA LYS A 91 0.700 -8.506 10.194 1.00 0.39 C ATOM 1000 C LYS A 91 1.055 -9.954 9.868 1.00 0.26 C ATOM 1001 O LYS A 91 1.271 -10.763 10.767 1.00 0.39 O ATOM 1002 CB LYS A 91 0.213 -8.387 11.631 1.00 0.78 C ATOM 1003 CG LYS A 91 0.349 -6.978 12.181 1.00 1.31 C ATOM 1004 CD LYS A 91 -0.433 -6.782 13.473 1.00 1.49 C ATOM 1005 CE LYS A 91 -0.166 -7.890 14.482 1.00 1.91 C ATOM 1006 NZ LYS A 91 1.280 -8.045 14.804 1.00 2.48 N ATOM 0 H LYS A 91 -0.128 -6.901 9.145 1.00 0.24 H new ATOM 0 HA LYS A 91 1.627 -7.952 10.047 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.832 -8.694 11.683 1.00 0.78 H new ATOM 0 HB3 LYS A 91 0.779 -9.074 12.260 1.00 0.78 H new ATOM 0 HG2 LYS A 91 1.402 -6.761 12.360 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.001 -6.264 11.435 1.00 1.31 H new ATOM 0 HD2 LYS A 91 -0.168 -5.821 13.913 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -1.499 -6.747 13.248 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -0.717 -7.680 15.399 1.00 1.91 H new ATOM 0 HE3 LYS A 91 -0.549 -8.832 14.089 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 1.386 -8.311 15.804 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 1.692 -8.787 14.203 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 1.773 -7.146 14.631 1.00 2.48 H new ATOM 1020 N GLY A 92 1.098 -10.284 8.595 1.00 0.26 N ATOM 1021 CA GLY A 92 1.593 -11.568 8.175 1.00 0.31 C ATOM 1022 C GLY A 92 2.258 -11.424 6.836 1.00 0.31 C ATOM 1023 O GLY A 92 2.140 -12.279 5.961 1.00 0.47 O ATOM 0 H GLY A 92 0.794 -9.676 7.835 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.301 -11.956 8.907 1.00 0.31 H new ATOM 0 HA3 GLY A 92 0.774 -12.285 8.113 1.00 0.31 H new ATOM 1027 N VAL A 93 2.942 -10.301 6.683 1.00 0.21 N ATOM 1028 CA VAL A 93 3.599 -9.967 5.452 1.00 0.21 C ATOM 1029 C VAL A 93 4.977 -10.597 5.434 1.00 0.20 C ATOM 1030 O VAL A 93 5.698 -10.576 6.435 1.00 0.22 O ATOM 1031 CB VAL A 93 3.658 -8.429 5.265 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.075 -7.919 5.076 1.00 0.21 C ATOM 1033 CG2 VAL A 93 2.804 -8.034 4.081 1.00 0.23 C ATOM 0 H VAL A 93 3.051 -9.601 7.417 1.00 0.21 H new ATOM 0 HA VAL A 93 3.031 -10.365 4.611 1.00 0.21 H new ATOM 0 HB VAL A 93 3.275 -7.971 6.177 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.058 -6.836 4.950 1.00 0.21 H new ATOM 0 HG12 VAL A 93 5.673 -8.173 5.951 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.513 -8.381 4.191 1.00 0.21 H new ATOM 0 HG21 VAL A 93 2.844 -6.953 3.948 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.179 -8.524 3.182 1.00 0.23 H new ATOM 0 HG23 VAL A 93 1.773 -8.340 4.258 1.00 0.23 H new ATOM 1043 N ASP A 94 5.318 -11.201 4.316 1.00 0.21 N ATOM 1044 CA ASP A 94 6.610 -11.827 4.161 1.00 0.24 C ATOM 1045 C ASP A 94 7.634 -10.735 3.889 1.00 0.21 C ATOM 1046 O ASP A 94 7.868 -10.373 2.742 1.00 0.20 O ATOM 1047 CB ASP A 94 6.542 -12.837 3.009 1.00 0.32 C ATOM 1048 CG ASP A 94 7.288 -14.125 3.296 1.00 1.02 C ATOM 1049 OD1 ASP A 94 7.011 -14.761 4.338 1.00 1.10 O ATOM 1050 OD2 ASP A 94 8.119 -14.532 2.460 1.00 1.94 O ATOM 0 H ASP A 94 4.713 -11.271 3.498 1.00 0.21 H new ATOM 0 HA ASP A 94 6.901 -12.367 5.062 1.00 0.24 H new ATOM 0 HB2 ASP A 94 5.498 -13.069 2.800 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.954 -12.380 2.109 1.00 0.32 H new ATOM 1055 N PHE A 95 8.228 -10.199 4.952 1.00 0.23 N ATOM 1056 CA PHE A 95 9.056 -8.994 4.871 1.00 0.24 C ATOM 1057 C PHE A 95 10.220 -9.164 3.914 1.00 0.23 C ATOM 1058 O PHE A 95 10.618 -8.228 3.225 1.00 0.28 O ATOM 1059 CB PHE A 95 9.598 -8.643 6.249 1.00 0.29 C ATOM 1060 CG PHE A 95 8.537 -8.215 7.220 1.00 0.37 C ATOM 1061 CD1 PHE A 95 7.957 -6.961 7.121 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.120 -9.063 8.233 1.00 0.41 C ATOM 1063 CE1 PHE A 95 6.982 -6.561 8.014 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.143 -8.669 9.128 1.00 0.52 C ATOM 1065 CZ PHE A 95 6.573 -7.417 9.018 1.00 0.61 C ATOM 0 H PHE A 95 8.151 -10.585 5.893 1.00 0.23 H new ATOM 0 HA PHE A 95 8.420 -8.192 4.496 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.123 -9.508 6.655 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.331 -7.843 6.149 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.271 -6.288 6.337 1.00 0.55 H new ATOM 0 HD2 PHE A 95 8.563 -10.043 8.325 1.00 0.41 H new ATOM 0 HE1 PHE A 95 6.540 -5.580 7.927 1.00 0.66 H new ATOM 0 HE2 PHE A 95 6.826 -9.340 9.912 1.00 0.52 H new ATOM 0 HZ PHE A 95 5.809 -7.107 9.715 1.00 0.61 H new ATOM 1075 N GLN A 96 10.760 -10.360 3.881 1.00 0.21 N ATOM 1076 CA GLN A 96 11.870 -10.662 3.021 1.00 0.24 C ATOM 1077 C GLN A 96 11.416 -11.032 1.618 1.00 0.21 C ATOM 1078 O GLN A 96 12.207 -11.004 0.679 1.00 0.25 O ATOM 1079 CB GLN A 96 12.773 -11.737 3.611 1.00 0.33 C ATOM 1080 CG GLN A 96 12.105 -12.855 4.418 1.00 1.06 C ATOM 1081 CD GLN A 96 10.728 -13.231 3.933 1.00 1.50 C ATOM 1082 OE1 GLN A 96 9.729 -12.786 4.491 1.00 2.08 O ATOM 1083 NE2 GLN A 96 10.666 -13.986 2.860 1.00 1.93 N ATOM 0 H GLN A 96 10.441 -11.145 4.449 1.00 0.21 H new ATOM 0 HA GLN A 96 12.461 -9.749 2.943 1.00 0.24 H new ATOM 0 HB2 GLN A 96 13.327 -12.197 2.793 1.00 0.33 H new ATOM 0 HB3 GLN A 96 13.503 -11.247 4.255 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.742 -13.739 4.389 1.00 1.06 H new ATOM 0 HG3 GLN A 96 12.038 -12.545 5.461 1.00 1.06 H new ATOM 0 HE21 GLN A 96 11.524 -14.333 2.430 1.00 1.93 H new ATOM 0 HE22 GLN A 96 9.760 -14.225 2.456 1.00 1.93 H new ATOM 1092 N LYS A 97 10.147 -11.386 1.463 1.00 0.18 N ATOM 1093 CA LYS A 97 9.592 -11.538 0.131 1.00 0.19 C ATOM 1094 C LYS A 97 9.332 -10.138 -0.374 1.00 0.17 C ATOM 1095 O LYS A 97 9.392 -9.855 -1.565 1.00 0.20 O ATOM 1096 CB LYS A 97 8.294 -12.357 0.137 1.00 0.23 C ATOM 1097 CG LYS A 97 8.003 -13.098 -1.166 1.00 0.26 C ATOM 1098 CD LYS A 97 7.518 -12.163 -2.262 1.00 0.25 C ATOM 1099 CE LYS A 97 7.213 -12.912 -3.552 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.444 -13.431 -4.204 1.00 1.43 N ATOM 0 H LYS A 97 9.497 -11.569 2.227 1.00 0.18 H new ATOM 0 HA LYS A 97 10.286 -12.081 -0.511 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.342 -13.082 0.949 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.460 -11.690 0.354 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.905 -13.610 -1.500 1.00 0.26 H new ATOM 0 HG3 LYS A 97 7.250 -13.865 -0.985 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.622 -11.641 -1.924 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.276 -11.404 -2.453 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.540 -13.742 -3.338 1.00 0.38 H new ATOM 0 HE3 LYS A 97 6.691 -12.248 -4.241 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 8.198 -13.859 -5.119 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.112 -12.649 -4.356 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 8.884 -14.149 -3.593 1.00 1.43 H new ATOM 1114 N PHE A 98 9.128 -9.251 0.594 1.00 0.16 N ATOM 1115 CA PHE A 98 8.970 -7.834 0.355 1.00 0.16 C ATOM 1116 C PHE A 98 10.344 -7.189 0.218 1.00 0.20 C ATOM 1117 O PHE A 98 10.532 -6.004 0.518 1.00 0.22 O ATOM 1118 CB PHE A 98 8.208 -7.190 1.512 1.00 0.15 C ATOM 1119 CG PHE A 98 6.727 -7.169 1.314 1.00 0.11 C ATOM 1120 CD1 PHE A 98 5.939 -8.237 1.703 1.00 0.13 C ATOM 1121 CD2 PHE A 98 6.122 -6.071 0.737 1.00 0.11 C ATOM 1122 CE1 PHE A 98 4.579 -8.206 1.516 1.00 0.13 C ATOM 1123 CE2 PHE A 98 4.759 -6.032 0.553 1.00 0.11 C ATOM 1124 CZ PHE A 98 3.987 -7.100 0.941 1.00 0.12 C ATOM 0 H PHE A 98 9.068 -9.507 1.579 1.00 0.16 H new ATOM 0 HA PHE A 98 8.404 -7.684 -0.565 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.436 -7.730 2.431 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.563 -6.168 1.646 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.397 -9.103 2.158 1.00 0.13 H new ATOM 0 HD2 PHE A 98 6.726 -5.232 0.426 1.00 0.11 H new ATOM 0 HE1 PHE A 98 3.973 -9.047 1.819 1.00 0.13 H new ATOM 0 HE2 PHE A 98 4.298 -5.164 0.105 1.00 0.11 H new ATOM 0 HZ PHE A 98 2.917 -7.074 0.796 1.00 0.12 H new ATOM 1134 N CYS A 99 11.311 -7.995 -0.197 1.00 0.26 N ATOM 1135 CA CYS A 99 12.661 -7.519 -0.422 1.00 0.31 C ATOM 1136 C CYS A 99 12.716 -6.673 -1.680 1.00 0.23 C ATOM 1137 O CYS A 99 13.083 -7.154 -2.753 1.00 0.27 O ATOM 1138 CB CYS A 99 13.611 -8.704 -0.564 1.00 0.45 C ATOM 1139 SG CYS A 99 15.351 -8.254 -0.723 1.00 1.20 S ATOM 0 H CYS A 99 11.180 -8.989 -0.385 1.00 0.26 H new ATOM 0 HA CYS A 99 12.964 -6.911 0.430 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.495 -9.353 0.304 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.318 -9.286 -1.438 1.00 0.45 H new ATOM 0 HG CYS A 99 16.069 -9.332 -0.835 1.00 1.20 H new ATOM 1145 N MET A 100 12.309 -5.425 -1.559 1.00 0.19 N ATOM 1146 CA MET A 100 12.438 -4.494 -2.651 1.00 0.16 C ATOM 1147 C MET A 100 13.187 -3.259 -2.231 1.00 0.17 C ATOM 1148 O MET A 100 12.922 -2.678 -1.180 1.00 0.20 O ATOM 1149 CB MET A 100 11.074 -4.056 -3.199 1.00 0.22 C ATOM 1150 CG MET A 100 10.345 -5.116 -3.996 1.00 0.22 C ATOM 1151 SD MET A 100 9.486 -6.299 -2.946 1.00 0.13 S ATOM 1152 CE MET A 100 8.330 -5.222 -2.097 1.00 0.18 C ATOM 0 H MET A 100 11.887 -5.037 -0.715 1.00 0.19 H new ATOM 0 HA MET A 100 12.989 -5.021 -3.430 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.443 -3.750 -2.364 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.216 -3.179 -3.830 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.626 -4.636 -4.661 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.058 -5.646 -4.627 1.00 0.22 H new ATOM 0 HE1 MET A 100 7.324 -5.633 -2.177 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.608 -5.146 -1.046 1.00 0.18 H new ATOM 0 HE3 MET A 100 8.354 -4.232 -2.551 1.00 0.18 H new ATOM 1162 N SER A 101 14.138 -2.888 -3.050 1.00 0.16 N ATOM 1163 CA SER A 101 14.604 -1.531 -3.073 1.00 0.18 C ATOM 1164 C SER A 101 13.513 -0.760 -3.794 1.00 0.14 C ATOM 1165 O SER A 101 12.750 -1.371 -4.524 1.00 0.15 O ATOM 1166 CB SER A 101 15.946 -1.431 -3.808 1.00 0.24 C ATOM 1167 OG SER A 101 16.429 -0.099 -3.831 1.00 1.26 O ATOM 0 H SER A 101 14.604 -3.511 -3.710 1.00 0.16 H new ATOM 0 HA SER A 101 14.783 -1.134 -2.074 1.00 0.18 H new ATOM 0 HB2 SER A 101 16.677 -2.076 -3.321 1.00 0.24 H new ATOM 0 HB3 SER A 101 15.831 -1.795 -4.829 1.00 0.24 H new ATOM 0 HG SER A 101 15.866 0.463 -3.259 1.00 1.26 H new ATOM 1173 N GLY A 102 13.382 0.524 -3.576 1.00 0.13 N ATOM 1174 CA GLY A 102 12.277 1.255 -4.156 1.00 0.14 C ATOM 1175 C GLY A 102 12.127 1.064 -5.656 1.00 0.14 C ATOM 1176 O GLY A 102 11.005 0.946 -6.161 1.00 0.16 O ATOM 0 H GLY A 102 14.018 1.083 -3.007 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.354 0.945 -3.667 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.408 2.317 -3.947 1.00 0.14 H new ATOM 1180 N ALA A 103 13.242 1.034 -6.376 1.00 0.17 N ATOM 1181 CA ALA A 103 13.205 0.768 -7.806 1.00 0.21 C ATOM 1182 C ALA A 103 12.588 -0.599 -8.062 1.00 0.21 C ATOM 1183 O ALA A 103 11.809 -0.787 -8.995 1.00 0.25 O ATOM 1184 CB ALA A 103 14.604 0.841 -8.390 1.00 0.26 C ATOM 0 H ALA A 103 14.176 1.189 -5.995 1.00 0.17 H new ATOM 0 HA ALA A 103 12.591 1.525 -8.293 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.562 0.640 -9.461 1.00 0.26 H new ATOM 0 HB2 ALA A 103 15.016 1.836 -8.223 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.239 0.099 -7.906 1.00 0.26 H new ATOM 1190 N ALA A 104 12.929 -1.539 -7.191 1.00 0.19 N ATOM 1191 CA ALA A 104 12.383 -2.881 -7.242 1.00 0.20 C ATOM 1192 C ALA A 104 10.920 -2.875 -6.824 1.00 0.16 C ATOM 1193 O ALA A 104 10.106 -3.588 -7.407 1.00 0.17 O ATOM 1194 CB ALA A 104 13.185 -3.814 -6.348 1.00 0.22 C ATOM 0 H ALA A 104 13.592 -1.389 -6.431 1.00 0.19 H new ATOM 0 HA ALA A 104 12.449 -3.242 -8.268 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.762 -4.818 -6.397 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.221 -3.840 -6.685 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.147 -3.454 -5.320 1.00 0.22 H new ATOM 1200 N LEU A 105 10.594 -2.084 -5.792 1.00 0.12 N ATOM 1201 CA LEU A 105 9.217 -1.891 -5.359 1.00 0.09 C ATOM 1202 C LEU A 105 8.298 -1.588 -6.526 1.00 0.12 C ATOM 1203 O LEU A 105 7.199 -2.100 -6.625 1.00 0.13 O ATOM 1204 CB LEU A 105 9.133 -0.732 -4.358 1.00 0.09 C ATOM 1205 CG LEU A 105 7.735 -0.528 -3.799 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.276 -1.771 -3.062 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.675 0.672 -2.890 1.00 0.14 C ATOM 0 H LEU A 105 11.279 -1.566 -5.241 1.00 0.12 H new ATOM 0 HA LEU A 105 8.895 -2.821 -4.891 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.823 -0.919 -3.535 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.460 0.186 -4.846 1.00 0.09 H new ATOM 0 HG LEU A 105 7.064 -0.345 -4.638 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.273 -1.610 -2.667 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.264 -2.618 -3.749 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.960 -1.980 -2.240 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.661 0.789 -2.508 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.363 0.532 -2.056 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.958 1.565 -3.447 1.00 0.14 H new ATOM 1219 N CYS A 106 8.737 -0.685 -7.346 1.00 0.21 N ATOM 1220 CA CYS A 106 8.054 -0.375 -8.578 1.00 0.31 C ATOM 1221 C CYS A 106 8.131 -1.528 -9.578 1.00 0.34 C ATOM 1222 O CYS A 106 7.104 -1.992 -10.079 1.00 0.40 O ATOM 1223 CB CYS A 106 8.670 0.876 -9.177 1.00 0.39 C ATOM 1224 SG CYS A 106 7.950 1.384 -10.756 1.00 0.74 S ATOM 0 H CYS A 106 9.582 -0.136 -7.186 1.00 0.21 H new ATOM 0 HA CYS A 106 6.999 -0.210 -8.357 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.565 1.694 -8.464 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.738 0.709 -9.316 1.00 0.39 H new ATOM 0 HG CYS A 106 7.292 0.389 -11.273 1.00 0.74 H new ATOM 1230 N ALA A 107 9.353 -1.980 -9.856 1.00 0.33 N ATOM 1231 CA ALA A 107 9.622 -2.984 -10.884 1.00 0.41 C ATOM 1232 C ALA A 107 8.774 -4.248 -10.768 1.00 0.38 C ATOM 1233 O ALA A 107 8.525 -4.906 -11.781 1.00 0.46 O ATOM 1234 CB ALA A 107 11.094 -3.359 -10.854 1.00 0.47 C ATOM 0 H ALA A 107 10.190 -1.657 -9.371 1.00 0.33 H new ATOM 0 HA ALA A 107 9.349 -2.523 -11.833 1.00 0.41 H new ATOM 0 HB1 ALA A 107 11.294 -4.108 -11.620 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.699 -2.473 -11.045 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.346 -3.766 -9.875 1.00 0.47 H new ATOM 1240 N LEU A 108 8.351 -4.615 -9.562 1.00 0.29 N ATOM 1241 CA LEU A 108 7.553 -5.824 -9.397 1.00 0.26 C ATOM 1242 C LEU A 108 6.253 -5.770 -10.205 1.00 0.26 C ATOM 1243 O LEU A 108 5.865 -6.758 -10.822 1.00 0.28 O ATOM 1244 CB LEU A 108 7.277 -6.141 -7.909 1.00 0.21 C ATOM 1245 CG LEU A 108 6.945 -4.965 -6.976 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.579 -4.350 -7.276 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.013 -5.432 -5.536 1.00 0.19 C ATOM 0 H LEU A 108 8.543 -4.104 -8.700 1.00 0.29 H new ATOM 0 HA LEU A 108 8.150 -6.644 -9.797 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.448 -6.848 -7.865 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.153 -6.651 -7.507 1.00 0.21 H new ATOM 0 HG LEU A 108 7.684 -4.182 -7.148 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.393 -3.524 -6.589 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.564 -3.980 -8.301 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.804 -5.106 -7.152 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.778 -4.600 -4.872 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.293 -6.235 -5.380 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.017 -5.797 -5.319 1.00 0.19 H new ATOM 1259 N GLY A 109 5.606 -4.614 -10.238 1.00 0.27 N ATOM 1260 CA GLY A 109 4.310 -4.514 -10.873 1.00 0.32 C ATOM 1261 C GLY A 109 3.216 -5.083 -9.992 1.00 0.27 C ATOM 1262 O GLY A 109 3.498 -5.854 -9.070 1.00 0.23 O ATOM 0 H GLY A 109 5.956 -3.744 -9.836 1.00 0.27 H new ATOM 0 HA2 GLY A 109 4.093 -3.470 -11.097 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.327 -5.047 -11.824 1.00 0.32 H new ATOM 1266 N LYS A 110 1.974 -4.688 -10.256 1.00 0.33 N ATOM 1267 CA LYS A 110 0.831 -5.162 -9.478 1.00 0.36 C ATOM 1268 C LYS A 110 0.882 -6.684 -9.282 1.00 0.26 C ATOM 1269 O LYS A 110 0.831 -7.154 -8.148 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.494 -4.715 -10.142 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.446 -5.845 -10.532 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.172 -6.436 -9.339 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.501 -7.914 -9.557 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.319 -8.127 -10.781 1.00 0.67 N ATOM 0 H LYS A 110 1.732 -4.039 -11.005 1.00 0.33 H new ATOM 0 HA LYS A 110 0.879 -4.712 -8.486 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.015 -4.044 -9.459 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.256 -4.138 -11.036 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.177 -5.468 -11.247 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -0.883 -6.631 -11.036 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -1.556 -6.327 -8.447 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.092 -5.880 -9.160 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.575 -8.484 -9.636 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -3.039 -8.298 -8.690 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.662 -9.109 -10.803 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.131 -7.477 -10.774 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -2.737 -7.945 -11.623 1.00 0.67 H new ATOM 1288 N GLU A 111 0.991 -7.440 -10.376 1.00 0.25 N ATOM 1289 CA GLU A 111 0.948 -8.901 -10.310 1.00 0.31 C ATOM 1290 C GLU A 111 1.914 -9.441 -9.261 1.00 0.27 C ATOM 1291 O GLU A 111 1.499 -10.096 -8.306 1.00 0.39 O ATOM 1292 CB GLU A 111 1.259 -9.506 -11.684 1.00 0.48 C ATOM 1293 CG GLU A 111 1.249 -11.028 -11.706 1.00 1.39 C ATOM 1294 CD GLU A 111 1.509 -11.591 -13.086 1.00 1.95 C ATOM 1295 OE1 GLU A 111 2.661 -11.513 -13.559 1.00 2.54 O ATOM 1296 OE2 GLU A 111 0.559 -12.109 -13.712 1.00 2.46 O ATOM 0 H GLU A 111 1.110 -7.065 -11.317 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.060 -9.192 -10.015 1.00 0.31 H new ATOM 0 HB2 GLU A 111 0.530 -9.137 -12.405 1.00 0.48 H new ATOM 0 HB3 GLU A 111 2.237 -9.154 -12.012 1.00 0.48 H new ATOM 0 HG2 GLU A 111 2.005 -11.403 -11.016 1.00 1.39 H new ATOM 0 HG3 GLU A 111 0.284 -11.387 -11.347 1.00 1.39 H new ATOM 1303 N CYS A 112 3.187 -9.130 -9.434 1.00 0.21 N ATOM 1304 CA CYS A 112 4.224 -9.620 -8.546 1.00 0.18 C ATOM 1305 C CYS A 112 3.974 -9.173 -7.115 1.00 0.15 C ATOM 1306 O CYS A 112 4.059 -9.983 -6.199 1.00 0.17 O ATOM 1307 CB CYS A 112 5.605 -9.163 -9.013 1.00 0.21 C ATOM 1308 SG CYS A 112 6.974 -9.940 -8.124 1.00 1.36 S ATOM 0 H CYS A 112 3.528 -8.535 -10.189 1.00 0.21 H new ATOM 0 HA CYS A 112 4.195 -10.709 -8.574 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.707 -9.378 -10.077 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.677 -8.082 -8.898 1.00 0.21 H new ATOM 0 HG CYS A 112 6.730 -11.208 -7.975 1.00 1.36 H new ATOM 1314 N PHE A 113 3.671 -7.892 -6.914 1.00 0.13 N ATOM 1315 CA PHE A 113 3.396 -7.383 -5.577 1.00 0.12 C ATOM 1316 C PHE A 113 2.285 -8.180 -4.884 1.00 0.13 C ATOM 1317 O PHE A 113 2.362 -8.468 -3.688 1.00 0.14 O ATOM 1318 CB PHE A 113 3.019 -5.894 -5.618 1.00 0.12 C ATOM 1319 CG PHE A 113 3.275 -5.213 -4.307 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.492 -5.477 -3.188 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.277 -4.269 -4.206 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.718 -4.806 -2.009 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.496 -3.591 -3.035 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.777 -4.054 -1.844 1.00 0.10 C ATOM 0 H PHE A 113 3.611 -7.194 -7.655 1.00 0.13 H new ATOM 0 HA PHE A 113 4.313 -7.500 -4.999 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.590 -5.397 -6.402 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.965 -5.794 -5.879 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.703 -6.212 -3.245 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.899 -4.061 -5.064 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.007 -4.901 -1.202 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.171 -2.749 -2.991 1.00 0.13 H new ATOM 0 HZ PHE A 113 4.113 -3.781 -0.854 1.00 0.10 H new ATOM 1334 N LEU A 114 1.243 -8.530 -5.613 1.00 0.14 N ATOM 1335 CA LEU A 114 0.120 -9.221 -4.991 1.00 0.17 C ATOM 1336 C LEU A 114 0.441 -10.688 -4.791 1.00 0.22 C ATOM 1337 O LEU A 114 -0.179 -11.358 -3.967 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.175 -9.067 -5.768 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.460 -7.678 -6.337 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -2.949 -7.436 -6.387 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.797 -6.564 -5.555 1.00 0.50 C ATOM 0 H LEU A 114 1.146 -8.355 -6.613 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.035 -8.748 -4.021 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.166 -9.780 -6.593 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.002 -9.346 -5.115 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.035 -7.663 -7.341 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.143 -6.444 -6.794 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.419 -8.187 -7.023 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.362 -7.503 -5.381 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.040 -5.605 -6.012 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.157 -6.578 -4.526 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.284 -6.707 -5.563 1.00 0.50 H new ATOM 1353 N GLU A 115 1.391 -11.193 -5.570 1.00 0.22 N ATOM 1354 CA GLU A 115 1.970 -12.495 -5.282 1.00 0.28 C ATOM 1355 C GLU A 115 2.669 -12.406 -3.948 1.00 0.27 C ATOM 1356 O GLU A 115 2.706 -13.335 -3.137 1.00 0.37 O ATOM 1357 CB GLU A 115 3.079 -12.860 -6.258 1.00 0.37 C ATOM 1358 CG GLU A 115 2.725 -12.774 -7.728 1.00 0.48 C ATOM 1359 CD GLU A 115 3.889 -13.187 -8.604 1.00 1.33 C ATOM 1360 OE1 GLU A 115 4.940 -12.512 -8.571 1.00 2.21 O ATOM 1361 OE2 GLU A 115 3.771 -14.206 -9.307 1.00 1.81 O ATOM 0 H GLU A 115 1.771 -10.727 -6.394 1.00 0.22 H new ATOM 0 HA GLU A 115 1.161 -13.224 -5.328 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.930 -12.206 -6.071 1.00 0.37 H new ATOM 0 HB3 GLU A 115 3.405 -13.877 -6.042 1.00 0.37 H new ATOM 0 HG2 GLU A 115 1.867 -13.414 -7.935 1.00 0.48 H new ATOM 0 HG3 GLU A 115 2.428 -11.754 -7.973 1.00 0.48 H new ATOM 1368 N LEU A 116 3.232 -11.233 -3.782 1.00 0.20 N ATOM 1369 CA LEU A 116 4.277 -10.954 -2.840 1.00 0.19 C ATOM 1370 C LEU A 116 3.754 -10.771 -1.405 1.00 0.22 C ATOM 1371 O LEU A 116 4.471 -11.038 -0.438 1.00 0.26 O ATOM 1372 CB LEU A 116 4.993 -9.738 -3.419 1.00 0.15 C ATOM 1373 CG LEU A 116 5.825 -8.914 -2.486 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.149 -8.566 -3.140 1.00 0.20 C ATOM 1375 CD2 LEU A 116 5.076 -7.658 -2.121 1.00 0.16 C ATOM 0 H LEU A 116 2.959 -10.415 -4.326 1.00 0.20 H new ATOM 0 HA LEU A 116 4.969 -11.788 -2.720 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.637 -10.081 -4.229 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.241 -9.086 -3.864 1.00 0.15 H new ATOM 0 HG LEU A 116 6.026 -9.486 -1.580 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.747 -7.967 -2.454 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.686 -9.482 -3.384 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.966 -7.999 -4.053 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.681 -7.058 -1.442 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.866 -7.084 -3.024 1.00 0.16 H new ATOM 0 HD23 LEU A 116 4.138 -7.923 -1.633 1.00 0.16 H new ATOM 1387 N ALA A 117 2.509 -10.347 -1.273 1.00 0.21 N ATOM 1388 CA ALA A 117 1.800 -10.409 0.011 1.00 0.22 C ATOM 1389 C ALA A 117 0.563 -11.267 -0.182 1.00 0.23 C ATOM 1390 O ALA A 117 0.390 -11.827 -1.258 1.00 0.26 O ATOM 1391 CB ALA A 117 1.406 -9.016 0.518 1.00 0.22 C ATOM 0 H ALA A 117 1.960 -9.953 -2.037 1.00 0.21 H new ATOM 0 HA ALA A 117 2.460 -10.841 0.763 1.00 0.22 H new ATOM 0 HB1 ALA A 117 0.884 -9.110 1.470 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.303 -8.411 0.654 1.00 0.22 H new ATOM 0 HB3 ALA A 117 0.751 -8.536 -0.209 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.298 -11.437 0.835 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.652 -11.899 0.577 1.00 0.25 C ATOM 1399 C PRO A 118 -2.249 -11.058 -0.544 1.00 0.22 C ATOM 1400 O PRO A 118 -2.097 -9.842 -0.548 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.371 -11.639 1.895 1.00 0.28 C ATOM 1402 CG PRO A 118 -1.305 -11.720 2.935 1.00 0.32 C ATOM 1403 CD PRO A 118 -0.028 -11.264 2.277 1.00 0.29 C ATOM 0 HA PRO A 118 -1.720 -12.943 0.270 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.851 -10.661 1.897 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -3.152 -12.378 2.072 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.548 -11.088 3.789 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -1.206 -12.739 3.310 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.200 -10.226 2.520 1.00 0.29 H new ATOM 0 HD3 PRO A 118 0.825 -11.862 2.600 1.00 0.29 H new ATOM 1411 N ASP A 119 -2.886 -11.711 -1.503 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.297 -11.062 -2.755 1.00 0.32 C ATOM 1413 C ASP A 119 -4.088 -9.767 -2.556 1.00 0.31 C ATOM 1414 O ASP A 119 -4.102 -8.917 -3.447 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.093 -12.029 -3.636 1.00 0.41 C ATOM 1416 CG ASP A 119 -5.442 -12.395 -3.061 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.414 -11.645 -3.286 1.00 1.26 O ATOM 1418 OD2 ASP A 119 -5.537 -13.447 -2.395 1.00 0.95 O ATOM 0 H ASP A 119 -3.135 -12.698 -1.445 1.00 0.28 H new ATOM 0 HA ASP A 119 -2.369 -10.783 -3.254 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -4.235 -11.580 -4.619 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -3.510 -12.938 -3.783 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.736 -9.588 -1.403 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.481 -8.361 -1.183 1.00 0.32 C ATOM 1425 C PHE A 120 -4.609 -7.348 -0.484 1.00 0.22 C ATOM 1426 O PHE A 120 -4.767 -6.146 -0.643 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.789 -8.591 -0.437 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.933 -7.942 -1.156 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -8.641 -8.637 -2.123 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -8.273 -6.622 -0.897 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -9.670 -8.030 -2.816 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -9.303 -6.014 -1.584 1.00 1.97 C ATOM 1433 CZ PHE A 120 -10.002 -6.717 -2.546 1.00 1.86 C ATOM 0 H PHE A 120 -4.758 -10.257 -0.633 1.00 0.27 H new ATOM 0 HA PHE A 120 -5.764 -7.966 -2.159 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -6.974 -9.661 -0.340 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.713 -8.188 0.573 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -8.386 -9.664 -2.337 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.726 -6.065 -0.150 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -10.214 -8.582 -3.568 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -9.563 -4.988 -1.370 1.00 1.97 H new ATOM 0 HZ PHE A 120 -10.807 -6.241 -3.086 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.669 -7.864 0.272 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.717 -7.061 0.999 1.00 0.17 C ATOM 1445 C VAL A 121 -1.683 -6.503 0.056 1.00 0.15 C ATOM 1446 O VAL A 121 -1.217 -5.377 0.221 1.00 0.14 O ATOM 1447 CB VAL A 121 -2.047 -7.913 2.072 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.919 -7.164 2.762 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -3.110 -8.357 3.045 1.00 0.22 C ATOM 0 H VAL A 121 -3.543 -8.868 0.401 1.00 0.19 H new ATOM 0 HA VAL A 121 -3.237 -6.229 1.475 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.583 -8.787 1.615 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.467 -7.804 3.519 1.00 0.19 H new ATOM 0 HG12 VAL A 121 -0.165 -6.884 2.027 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.315 -6.266 3.236 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.657 -8.969 3.825 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.578 -7.482 3.497 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.865 -8.941 2.518 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.328 -7.306 -0.936 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.509 -6.818 -2.004 1.00 0.19 C ATOM 1461 C GLY A 122 -1.157 -5.626 -2.660 1.00 0.16 C ATOM 1462 O GLY A 122 -0.494 -4.646 -2.914 1.00 0.14 O ATOM 0 H GLY A 122 -1.597 -8.287 -1.012 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.473 -6.541 -1.620 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.353 -7.606 -2.740 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.467 -5.713 -2.909 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.209 -4.645 -3.577 1.00 0.19 C ATOM 1468 C ASP A 123 -3.468 -3.494 -2.616 1.00 0.13 C ATOM 1469 O ASP A 123 -3.485 -2.341 -3.016 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.526 -5.185 -4.142 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.294 -4.164 -4.961 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -4.868 -3.853 -6.094 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.303 -3.626 -4.454 1.00 1.07 O ATOM 0 H ASP A 123 -3.037 -6.520 -2.655 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.608 -4.269 -4.405 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.316 -6.055 -4.764 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.154 -5.526 -3.318 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.699 -3.819 -1.350 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.754 -2.811 -0.295 1.00 0.10 C ATOM 1480 C ILE A 124 -2.475 -1.977 -0.289 1.00 0.09 C ATOM 1481 O ILE A 124 -2.509 -0.756 -0.473 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.998 -3.464 1.095 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.485 -3.758 1.278 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.497 -2.582 2.236 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.825 -4.285 2.656 1.00 0.22 C ATOM 0 H ILE A 124 -3.852 -4.774 -1.027 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.596 -2.150 -0.500 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.432 -4.395 1.126 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -6.054 -2.847 1.094 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.799 -4.486 0.530 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.687 -3.076 3.189 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.426 -2.413 2.122 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -4.019 -1.626 2.213 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.897 -4.473 2.719 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -5.282 -5.213 2.835 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.541 -3.548 3.408 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.351 -2.638 -0.094 1.00 0.08 N ATOM 1498 CA LEU A 125 -0.067 -1.992 -0.212 1.00 0.08 C ATOM 1499 C LEU A 125 0.132 -1.402 -1.600 1.00 0.09 C ATOM 1500 O LEU A 125 0.600 -0.281 -1.727 1.00 0.10 O ATOM 1501 CB LEU A 125 1.031 -2.985 0.124 1.00 0.08 C ATOM 1502 CG LEU A 125 1.430 -2.985 1.589 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.329 -4.166 1.905 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.124 -1.679 1.919 1.00 0.09 C ATOM 0 H LEU A 125 -1.306 -3.628 0.148 1.00 0.08 H new ATOM 0 HA LEU A 125 -0.025 -1.163 0.495 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.700 -3.986 -0.153 1.00 0.08 H new ATOM 0 HB3 LEU A 125 1.909 -2.761 -0.482 1.00 0.08 H new ATOM 0 HG LEU A 125 0.534 -3.080 2.202 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.601 -4.144 2.960 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.801 -5.094 1.686 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.231 -4.109 1.296 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.412 -1.675 2.970 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.014 -1.573 1.299 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.446 -0.848 1.726 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.264 -2.136 -2.629 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.129 -1.665 -4.002 1.00 0.10 C ATOM 1518 C TRP A 126 -0.913 -0.374 -4.212 1.00 0.11 C ATOM 1519 O TRP A 126 -0.473 0.501 -4.951 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.578 -2.725 -5.016 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.559 -2.213 -6.420 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.641 -1.906 -7.186 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.597 -1.926 -7.211 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.226 -1.399 -8.399 1.00 0.25 N ATOM 1525 CE2 TRP A 126 0.145 -1.417 -8.441 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.971 -2.046 -6.998 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 1.021 -1.021 -9.448 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.839 -1.658 -8.001 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.361 -1.150 -9.212 1.00 0.25 C ATOM 0 H TRP A 126 -0.682 -3.062 -2.540 1.00 0.09 H new ATOM 0 HA TRP A 126 0.930 -1.468 -4.170 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.074 -3.595 -4.941 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.585 -3.059 -4.767 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.671 -2.040 -6.888 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -1.838 -1.065 -9.143 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.350 -2.436 -6.065 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.654 -0.625 -10.384 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.904 -1.749 -7.846 1.00 0.22 H new ATOM 0 HH2 TRP A 126 3.064 -0.854 -9.976 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.069 -0.254 -3.565 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.811 0.992 -3.593 1.00 0.12 C ATOM 1542 C GLU A 127 -1.947 2.099 -3.063 1.00 0.12 C ATOM 1543 O GLU A 127 -1.671 3.043 -3.772 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.108 0.927 -2.792 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.335 0.690 -3.653 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.730 1.882 -4.497 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -5.075 2.136 -5.522 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.725 2.551 -4.154 1.00 1.43 O ATOM 0 H GLU A 127 -2.505 -0.999 -3.021 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.085 1.182 -4.631 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.031 0.129 -2.054 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.234 1.859 -2.241 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.148 -0.161 -4.308 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.172 0.419 -3.009 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.481 1.977 -1.827 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.632 3.023 -1.286 1.00 0.11 C ATOM 1557 C HIS A 128 0.613 3.170 -2.126 1.00 0.10 C ATOM 1558 O HIS A 128 1.115 4.271 -2.264 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.249 2.795 0.175 1.00 0.11 C ATOM 1560 CG HIS A 128 0.252 4.053 0.833 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.707 4.105 2.130 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.343 5.323 0.356 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.051 5.349 2.426 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.842 6.105 1.369 1.00 0.15 N ATOM 0 H HIS A 128 -1.669 1.193 -1.201 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.216 3.942 -1.318 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.114 2.421 0.722 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.521 2.026 0.231 1.00 0.11 H new ATOM 0 HD2 HIS A 128 0.073 5.655 -0.636 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.438 5.687 3.376 1.00 0.15 H new ATOM 0 HE2 HIS A 128 1.021 7.107 1.312 1.00 0.15 H new ATOM 1573 N LEU A 129 1.105 2.079 -2.694 1.00 0.10 N ATOM 1574 CA LEU A 129 2.214 2.153 -3.613 1.00 0.12 C ATOM 1575 C LEU A 129 1.858 3.104 -4.727 1.00 0.15 C ATOM 1576 O LEU A 129 2.600 4.042 -5.024 1.00 0.18 O ATOM 1577 CB LEU A 129 2.539 0.761 -4.171 1.00 0.11 C ATOM 1578 CG LEU A 129 3.767 0.679 -5.075 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.800 1.687 -4.633 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.366 -0.711 -5.016 1.00 0.13 C ATOM 0 H LEU A 129 0.750 1.137 -2.531 1.00 0.10 H new ATOM 0 HA LEU A 129 3.100 2.519 -3.093 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.681 0.078 -3.333 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.675 0.403 -4.730 1.00 0.11 H new ATOM 0 HG LEU A 129 3.462 0.896 -6.099 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.673 1.622 -5.283 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.378 2.690 -4.691 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.096 1.477 -3.605 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.241 -0.758 -5.664 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.661 -0.937 -3.991 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.628 -1.440 -5.350 1.00 0.13 H new ATOM 1592 N GLU A 130 0.695 2.884 -5.302 1.00 0.17 N ATOM 1593 CA GLU A 130 0.243 3.703 -6.391 1.00 0.23 C ATOM 1594 C GLU A 130 -0.108 5.102 -5.901 1.00 0.25 C ATOM 1595 O GLU A 130 0.053 6.078 -6.620 1.00 0.37 O ATOM 1596 CB GLU A 130 -0.946 3.048 -7.120 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.174 3.601 -8.522 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.393 3.019 -9.209 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -3.525 3.286 -8.748 1.00 1.73 O ATOM 1600 OE2 GLU A 130 -2.230 2.289 -10.206 1.00 1.80 O ATOM 0 H GLU A 130 0.050 2.143 -5.029 1.00 0.17 H new ATOM 0 HA GLU A 130 1.057 3.794 -7.110 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.776 1.973 -7.184 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.850 3.193 -6.529 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -1.282 4.684 -8.464 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -0.293 3.400 -9.131 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.574 5.188 -4.671 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.853 6.463 -4.039 1.00 0.21 C ATOM 1609 C ILE A 131 0.439 7.274 -3.811 1.00 0.22 C ATOM 1610 O ILE A 131 0.476 8.466 -4.061 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.619 6.264 -2.710 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.139 6.168 -2.941 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.338 7.406 -1.746 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.590 5.123 -3.947 1.00 0.23 C ATOM 0 H ILE A 131 -0.770 4.378 -4.082 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.487 7.035 -4.716 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.267 5.326 -2.280 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.620 5.957 -1.986 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.500 7.142 -3.271 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.888 7.243 -0.819 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.270 7.447 -1.532 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.654 8.347 -2.195 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.677 5.143 -4.030 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.148 5.339 -4.919 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.270 4.136 -3.614 1.00 0.23 H new ATOM 1626 N LEU A 132 1.506 6.638 -3.346 1.00 0.18 N ATOM 1627 CA LEU A 132 2.765 7.360 -3.124 1.00 0.20 C ATOM 1628 C LEU A 132 3.212 8.019 -4.414 1.00 0.25 C ATOM 1629 O LEU A 132 3.646 9.170 -4.438 1.00 0.29 O ATOM 1630 CB LEU A 132 3.884 6.438 -2.662 1.00 0.21 C ATOM 1631 CG LEU A 132 3.553 5.514 -1.509 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.155 4.164 -1.807 1.00 0.23 C ATOM 1633 CD2 LEU A 132 4.086 6.047 -0.184 1.00 0.25 C ATOM 0 H LEU A 132 1.533 5.644 -3.117 1.00 0.18 H new ATOM 0 HA LEU A 132 2.573 8.099 -2.346 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.199 5.829 -3.510 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.738 7.052 -2.375 1.00 0.21 H new ATOM 0 HG LEU A 132 2.470 5.442 -1.408 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.931 3.478 -0.990 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.734 3.775 -2.734 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.235 4.263 -1.912 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.827 5.355 0.617 1.00 0.25 H new ATOM 0 HD22 LEU A 132 5.170 6.147 -0.241 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.642 7.021 0.021 1.00 0.25 H new ATOM 1645 N GLN A 133 3.067 7.273 -5.492 1.00 0.28 N ATOM 1646 CA GLN A 133 3.501 7.742 -6.787 1.00 0.38 C ATOM 1647 C GLN A 133 2.426 8.615 -7.413 1.00 0.37 C ATOM 1648 O GLN A 133 2.708 9.370 -8.333 1.00 0.47 O ATOM 1649 CB GLN A 133 3.866 6.572 -7.702 1.00 0.58 C ATOM 1650 CG GLN A 133 2.705 5.651 -8.018 1.00 0.79 C ATOM 1651 CD GLN A 133 3.160 4.277 -8.454 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.346 4.009 -9.638 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.358 3.401 -7.483 1.00 0.31 N ATOM 0 H GLN A 133 2.652 6.341 -5.494 1.00 0.28 H new ATOM 0 HA GLN A 133 4.400 8.344 -6.655 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.268 6.966 -8.635 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.660 5.991 -7.233 1.00 0.58 H new ATOM 0 HG2 GLN A 133 2.069 5.558 -7.138 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.096 6.096 -8.805 1.00 0.79 H new ATOM 0 HE21 GLN A 133 3.190 3.668 -6.513 1.00 0.31 H new ATOM 0 HE22 GLN A 133 3.678 2.458 -7.704 1.00 0.31 H new ATOM 1662 N LYS A 134 1.184 8.497 -6.933 1.00 0.36 N ATOM 1663 CA LYS A 134 0.107 9.392 -7.339 1.00 0.44 C ATOM 1664 C LYS A 134 0.380 10.854 -6.981 1.00 0.50 C ATOM 1665 O LYS A 134 -0.259 11.755 -7.527 1.00 0.61 O ATOM 1666 CB LYS A 134 -1.229 8.870 -6.763 1.00 0.49 C ATOM 1667 CG LYS A 134 -2.094 9.873 -6.005 1.00 1.04 C ATOM 1668 CD LYS A 134 -1.685 10.000 -4.545 1.00 1.77 C ATOM 1669 CE LYS A 134 -2.797 10.593 -3.692 1.00 2.51 C ATOM 1670 NZ LYS A 134 -3.255 11.913 -4.198 1.00 3.42 N ATOM 0 H LYS A 134 0.903 7.785 -6.259 1.00 0.36 H new ATOM 0 HA LYS A 134 0.042 9.387 -8.427 1.00 0.44 H new ATOM 0 HB2 LYS A 134 -1.819 8.468 -7.586 1.00 0.49 H new ATOM 0 HB3 LYS A 134 -1.008 8.039 -6.093 1.00 0.49 H new ATOM 0 HG2 LYS A 134 -2.022 10.848 -6.486 1.00 1.04 H new ATOM 0 HG3 LYS A 134 -3.138 9.565 -6.062 1.00 1.04 H new ATOM 0 HD2 LYS A 134 -1.415 9.018 -4.157 1.00 1.77 H new ATOM 0 HD3 LYS A 134 -0.797 10.627 -4.470 1.00 1.77 H new ATOM 0 HE2 LYS A 134 -3.641 9.903 -3.668 1.00 2.51 H new ATOM 0 HE3 LYS A 134 -2.446 10.702 -2.666 1.00 2.51 H new ATOM 0 HZ1 LYS A 134 -3.926 12.330 -3.522 1.00 3.42 H new ATOM 0 HZ2 LYS A 134 -2.437 12.545 -4.309 1.00 3.42 H new ATOM 0 HZ3 LYS A 134 -3.723 11.789 -5.118 1.00 3.42 H new ATOM 1684 N GLU A 135 1.324 11.100 -6.077 1.00 0.57 N ATOM 1685 CA GLU A 135 1.853 12.450 -5.890 1.00 0.78 C ATOM 1686 C GLU A 135 2.381 12.996 -7.220 1.00 0.87 C ATOM 1687 O GLU A 135 2.379 14.205 -7.461 1.00 1.08 O ATOM 1688 CB GLU A 135 2.963 12.440 -4.837 1.00 0.91 C ATOM 1689 CG GLU A 135 2.505 12.896 -3.462 1.00 1.30 C ATOM 1690 CD GLU A 135 2.096 14.355 -3.447 1.00 1.73 C ATOM 1691 OE1 GLU A 135 2.956 15.226 -3.689 1.00 2.31 O ATOM 1692 OE2 GLU A 135 0.910 14.639 -3.176 1.00 2.15 O ATOM 0 H GLU A 135 1.735 10.392 -5.468 1.00 0.57 H new ATOM 0 HA GLU A 135 1.050 13.100 -5.541 1.00 0.78 H new ATOM 0 HB2 GLU A 135 3.369 11.431 -4.759 1.00 0.91 H new ATOM 0 HB3 GLU A 135 3.775 13.085 -5.172 1.00 0.91 H new ATOM 0 HG2 GLU A 135 1.664 12.282 -3.139 1.00 1.30 H new ATOM 0 HG3 GLU A 135 3.309 12.739 -2.743 1.00 1.30 H new ATOM 1699 N ASP A 136 2.813 12.081 -8.077 1.00 0.86 N ATOM 1700 CA ASP A 136 3.242 12.396 -9.432 1.00 1.09 C ATOM 1701 C ASP A 136 2.500 11.467 -10.400 1.00 1.29 C ATOM 1702 O ASP A 136 3.090 10.848 -11.288 1.00 1.78 O ATOM 1703 CB ASP A 136 4.760 12.217 -9.554 1.00 1.62 C ATOM 1704 CG ASP A 136 5.324 12.776 -10.845 1.00 1.94 C ATOM 1705 OD1 ASP A 136 5.425 14.015 -10.962 1.00 2.14 O ATOM 1706 OD2 ASP A 136 5.676 11.984 -11.745 1.00 2.53 O ATOM 0 H ASP A 136 2.876 11.089 -7.848 1.00 0.86 H new ATOM 0 HA ASP A 136 3.009 13.433 -9.675 1.00 1.09 H new ATOM 0 HB2 ASP A 136 5.246 12.707 -8.710 1.00 1.62 H new ATOM 0 HB3 ASP A 136 5.001 11.156 -9.489 1.00 1.62 H new ATOM 1711 N VAL A 137 1.192 11.357 -10.191 1.00 1.29 N ATOM 1712 CA VAL A 137 0.376 10.373 -10.893 1.00 1.83 C ATOM 1713 C VAL A 137 0.090 10.797 -12.330 1.00 2.01 C ATOM 1714 O VAL A 137 0.002 11.988 -12.641 1.00 2.52 O ATOM 1715 CB VAL A 137 -0.957 10.116 -10.145 1.00 2.28 C ATOM 1716 CG1 VAL A 137 -1.955 11.243 -10.362 1.00 2.82 C ATOM 1717 CG2 VAL A 137 -1.556 8.771 -10.521 1.00 2.60 C ATOM 0 H VAL A 137 0.672 11.941 -9.537 1.00 1.29 H new ATOM 0 HA VAL A 137 0.950 9.447 -10.919 1.00 1.83 H new ATOM 0 HB VAL A 137 -0.725 10.090 -9.080 1.00 2.28 H new ATOM 0 HG11 VAL A 137 -2.875 11.023 -9.821 1.00 2.82 H new ATOM 0 HG12 VAL A 137 -1.533 12.179 -9.995 1.00 2.82 H new ATOM 0 HG13 VAL A 137 -2.173 11.336 -11.426 1.00 2.82 H new ATOM 0 HG21 VAL A 137 -2.490 8.624 -9.978 1.00 2.60 H new ATOM 0 HG22 VAL A 137 -1.752 8.747 -11.593 1.00 2.60 H new ATOM 0 HG23 VAL A 137 -0.857 7.976 -10.262 1.00 2.60 H new ATOM 1727 N LYS A 138 -0.036 9.809 -13.202 1.00 2.28 N ATOM 1728 CA LYS A 138 -0.341 10.047 -14.600 1.00 2.78 C ATOM 1729 C LYS A 138 -1.682 9.416 -14.944 1.00 3.41 C ATOM 1730 O LYS A 138 -1.711 8.198 -15.205 1.00 4.06 O ATOM 1731 CB LYS A 138 0.758 9.467 -15.496 1.00 3.26 C ATOM 1732 CG LYS A 138 2.135 10.054 -15.238 1.00 3.81 C ATOM 1733 CD LYS A 138 2.182 11.542 -15.554 1.00 4.63 C ATOM 1734 CE LYS A 138 3.570 12.116 -15.328 1.00 5.26 C ATOM 1735 NZ LYS A 138 4.019 11.960 -13.920 1.00 5.57 N ATOM 1736 OXT LYS A 138 -2.702 10.133 -14.933 1.00 3.77 O ATOM 0 H LYS A 138 0.070 8.824 -12.960 1.00 2.28 H new ATOM 0 HA LYS A 138 -0.393 11.122 -14.772 1.00 2.78 H new ATOM 0 HB2 LYS A 138 0.801 8.388 -15.350 1.00 3.26 H new ATOM 0 HB3 LYS A 138 0.491 9.637 -16.539 1.00 3.26 H new ATOM 0 HG2 LYS A 138 2.409 9.895 -14.195 1.00 3.81 H new ATOM 0 HG3 LYS A 138 2.873 9.530 -15.845 1.00 3.81 H new ATOM 0 HD2 LYS A 138 1.884 11.705 -16.590 1.00 4.63 H new ATOM 0 HD3 LYS A 138 1.462 12.071 -14.929 1.00 4.63 H new ATOM 0 HE2 LYS A 138 4.279 11.620 -15.991 1.00 5.26 H new ATOM 0 HE3 LYS A 138 3.572 13.173 -15.593 1.00 5.26 H new ATOM 0 HZ1 LYS A 138 4.412 12.861 -13.579 1.00 5.57 H new ATOM 0 HZ2 LYS A 138 3.210 11.688 -13.326 1.00 5.57 H new ATOM 0 HZ3 LYS A 138 4.750 11.222 -13.868 1.00 5.57 H new TER 1750 LYS A 138