USER MOD reduce.3.24.130724 H: found=0, std=0, add=1373, rem=0, adj=68 USER MOD reduce.3.24.130724 removed 1371 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: B 80 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: B 81 MET CE :methyl 153:sc= -0.305 (180deg=-2.48) USER MOD Set 1.3: B 84 ASN : amide:sc= 0.935 K(o=0.63,f=-0.085) USER MOD Set 2.1: B 32 LYS NZ :NH3+ 153:sc= 0.723 (180deg=-0.992!) USER MOD Set 2.2: B 63 SER OG : rot -54:sc= 1.37 USER MOD Set 3.1: B 25 SER OG : rot 165:sc= 1.52 USER MOD Set 3.2: B 28 THR OG1 : rot 115:sc= 2.33 USER MOD Set 4.1: B 7 LYS NZ :NH3+ 146:sc= 0.0182 (180deg=-1.27!) USER MOD Set 4.2: B 10 THR OG1 : rot -75:sc= 0.313 USER MOD Set 5.1: A 73 SER OG : rot 142:sc= 0.716 USER MOD Set 5.2: A 77 THR OG1 : rot 83:sc= 2.13 USER MOD Set 5.3: B 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.4: B 73 SER OG : rot -166:sc= 1.02 USER MOD Set 5.5: B 77 THR OG1 : rot 69:sc= 1.83 USER MOD Set 6.1: A 62 ASN : amide:sc= 0.29 K(o=0.59,f=-2.2!) USER MOD Set 6.2: A 65 GLN : amide:sc= 0.301 K(o=0.59,f=-4.4!) USER MOD Set 7.1: A 58 SER OG : rot 83:sc= 0.735 USER MOD Set 7.2: A 61 LYS NZ :NH3+ -179:sc= 1.57 (180deg=0.905) USER MOD Set 8.1: A 39 LYS NZ :NH3+ -170:sc= 0.867 (180deg=0) USER MOD Set 8.2: A 43 CYS SG : rot 180:sc= 0.67 USER MOD Set 9.1: A 15 THR OG1 : rot -80:sc= 0.961 USER MOD Set 9.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Set10.1: A 7 LYS NZ :NH3+ -117:sc= 1.08 (180deg=-0.154) USER MOD Set10.2: A 11 THR OG1 : rot 65:sc= 1.04 USER MOD Single : A 3 THR OG1 : rot 167:sc= 1.84 USER MOD Single : A 10 THR OG1 : rot 70:sc= 1.27 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 17 HIS : no HE2:sc= -0.297 K(o=-0.3,f=-1.7) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0.0677 (180deg=-0.0412) USER MOD Single : A 19 TYR OH : rot 165:sc= 0 USER MOD Single : A 20 SER OG : rot 87:sc= 1.24 USER MOD Single : A 25 SER OG : rot 154:sc= 1.29 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 116:sc= 0.709 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 2.44 (180deg=2.31) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0.9 (180deg=0.715) USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= 1.16 (180deg=-0.232) USER MOD Single : A 48 LYS NZ :NH3+ 133:sc= 0.564 (180deg=-0.14) USER MOD Single : A 50 SER OG : rot 1:sc= 1.08 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -122:sc= -0.404 (180deg=-2.83!) USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 0.923 (180deg=0.655) USER MOD Single : A 63 SER OG : rot -50:sc= 1.19 USER MOD Single : A 70 LYS NZ :NH3+ 152:sc= 0.179! (180deg=-0.0751!) USER MOD Single : A 78 MET CE :methyl 164:sc= -0.0104 (180deg=-0.272) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 159:sc= -0.26 (180deg=-0.984) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.0175 K(o=0.017,f=-2.6!) USER MOD Single : B 3 THR OG1 : rot 99:sc= 1.27 USER MOD Single : B 11 THR OG1 : rot 88:sc= 0 USER MOD Single : B 14 THR OG1 : rot 87:sc= 1.2 USER MOD Single : B 15 THR OG1 : rot 86:sc= 1.21 USER MOD Single : B 17 HIS : no HE2:sc= -0.102 K(o=-0.1,f=-1.1) USER MOD Single : B 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0164) USER MOD Single : B 19 TYR OH : rot 170:sc= 1.04 USER MOD Single : B 20 SER OG : rot -69:sc= 1.23 USER MOD Single : B 26 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.12) USER MOD Single : B 30 SER OG : rot 157:sc= 1.59 USER MOD Single : B 35 LYS NZ :NH3+ 137:sc= -0.485 (180deg=-1.27) USER MOD Single : B 39 LYS NZ :NH3+ 178:sc= 2.03 (180deg=1.94) USER MOD Single : B 40 LYS NZ :NH3+ 136:sc= -0.912 (180deg=-2.94!) USER MOD Single : B 43 CYS SG : rot 180:sc= -0.0504 USER MOD Single : B 47 MET CE :methyl 169:sc= 0 (180deg=-0.159) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 SER OG : rot -38:sc= 1.24 USER MOD Single : B 51 SER OG : rot -27:sc= 0.972 USER MOD Single : B 56 MET CE :methyl -148:sc= -1.11 (180deg=-6!) USER MOD Single : B 57 LYS NZ :NH3+ 170:sc= 1.04 (180deg=0.888) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 ASN : amide:sc= -0.159 K(o=-0.16,f=-4.7!) USER MOD Single : B 65 GLN : amide:sc= -2.65! C(o=-2.6!,f=-11!) USER MOD Single : B 70 LYS NZ :NH3+ -175:sc= 1.1 (180deg=0.936) USER MOD Single : B 72 TYR OH : rot -15:sc= 1.28 USER MOD Single : B 78 MET CE :methyl 170:sc=-0.000506 (180deg=-0.144) USER MOD Single : B 83 TYR OH : rot 100:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 9.038 2.971 21.098 1.00 1.84 N ATOM 18 CA GLU A 2 9.733 4.210 21.464 1.00 1.47 C ATOM 19 C GLU A 2 8.837 5.418 21.138 1.00 1.22 C ATOM 20 O GLU A 2 8.577 6.256 22.000 1.00 1.82 O ATOM 21 CB GLU A 2 11.050 4.298 20.669 1.00 3.03 C ATOM 22 CG GLU A 2 11.947 5.470 21.104 1.00 4.50 C ATOM 23 CD GLU A 2 12.715 6.050 19.920 1.00 6.07 C ATOM 24 OE1 GLU A 2 13.538 5.331 19.318 1.00 6.52 O ATOM 25 OE2 GLU A 2 12.457 7.222 19.580 1.00 7.27 O ATOM 0 HA GLU A 2 9.953 4.213 22.532 1.00 1.47 H new ATOM 0 HB2 GLU A 2 11.601 3.365 20.787 1.00 3.03 H new ATOM 0 HB3 GLU A 2 10.820 4.400 19.608 1.00 3.03 H new ATOM 0 HG2 GLU A 2 11.336 6.249 21.560 1.00 4.50 H new ATOM 0 HG3 GLU A 2 12.650 5.130 21.865 1.00 4.50 H new ATOM 32 N THR A 3 8.306 5.469 19.904 1.00 0.78 N ATOM 33 CA THR A 3 7.391 6.531 19.439 1.00 0.73 C ATOM 34 C THR A 3 6.106 5.927 18.854 1.00 0.87 C ATOM 35 O THR A 3 6.059 4.717 18.601 1.00 1.08 O ATOM 36 CB THR A 3 8.093 7.488 18.448 1.00 0.90 C ATOM 37 OG1 THR A 3 7.970 7.028 17.122 1.00 1.24 O ATOM 38 CG2 THR A 3 9.570 7.729 18.761 1.00 1.17 C ATOM 0 H THR A 3 8.501 4.766 19.191 1.00 0.78 H new ATOM 0 HA THR A 3 7.102 7.133 20.301 1.00 0.73 H new ATOM 0 HB THR A 3 7.579 8.442 18.564 1.00 0.90 H new ATOM 0 HG1 THR A 3 8.236 7.739 16.503 1.00 1.24 H new ATOM 0 HG21 THR A 3 9.992 8.410 18.022 1.00 1.17 H new ATOM 0 HG22 THR A 3 9.665 8.167 19.754 1.00 1.17 H new ATOM 0 HG23 THR A 3 10.108 6.781 18.730 1.00 1.17 H new ATOM 46 N PRO A 4 5.042 6.729 18.627 1.00 0.96 N ATOM 47 CA PRO A 4 3.845 6.247 17.946 1.00 1.11 C ATOM 48 C PRO A 4 4.075 6.073 16.437 1.00 1.04 C ATOM 49 O PRO A 4 3.534 5.136 15.857 1.00 1.07 O ATOM 50 CB PRO A 4 2.756 7.282 18.251 1.00 1.34 C ATOM 51 CG PRO A 4 3.538 8.579 18.455 1.00 1.28 C ATOM 52 CD PRO A 4 4.840 8.098 19.091 1.00 1.06 C ATOM 0 HA PRO A 4 3.557 5.256 18.297 1.00 1.11 H new ATOM 0 HB2 PRO A 4 2.044 7.368 17.430 1.00 1.34 H new ATOM 0 HB3 PRO A 4 2.186 7.014 19.140 1.00 1.34 H new ATOM 0 HG2 PRO A 4 3.716 9.096 17.512 1.00 1.28 H new ATOM 0 HG3 PRO A 4 3.005 9.274 19.103 1.00 1.28 H new ATOM 0 HD2 PRO A 4 5.674 8.735 18.798 1.00 1.06 H new ATOM 0 HD3 PRO A 4 4.778 8.135 20.179 1.00 1.06 H new ATOM 60 N LEU A 5 4.875 6.927 15.784 1.00 0.97 N ATOM 61 CA LEU A 5 5.107 6.810 14.343 1.00 0.94 C ATOM 62 C LEU A 5 6.055 5.661 13.978 1.00 0.82 C ATOM 63 O LEU A 5 5.838 5.007 12.957 1.00 0.85 O ATOM 64 CB LEU A 5 5.541 8.150 13.737 1.00 1.02 C ATOM 65 CG LEU A 5 5.405 8.073 12.197 1.00 1.29 C ATOM 66 CD1 LEU A 5 4.536 9.210 11.671 1.00 1.85 C ATOM 67 CD2 LEU A 5 6.769 8.028 11.503 1.00 2.06 C ATOM 0 H LEU A 5 5.368 7.701 16.230 1.00 0.97 H new ATOM 0 HA LEU A 5 4.151 6.547 13.891 1.00 0.94 H new ATOM 0 HB2 LEU A 5 4.924 8.958 14.130 1.00 1.02 H new ATOM 0 HB3 LEU A 5 6.572 8.372 14.013 1.00 1.02 H new ATOM 0 HG LEU A 5 4.905 7.135 11.956 1.00 1.29 H new ATOM 0 HD11 LEU A 5 4.455 9.135 10.587 1.00 1.85 H new ATOM 0 HD12 LEU A 5 3.542 9.144 12.114 1.00 1.85 H new ATOM 0 HD13 LEU A 5 4.988 10.166 11.936 1.00 1.85 H new ATOM 0 HD21 LEU A 5 6.626 7.974 10.424 1.00 2.06 H new ATOM 0 HD22 LEU A 5 7.333 8.927 11.750 1.00 2.06 H new ATOM 0 HD23 LEU A 5 7.320 7.150 11.840 1.00 2.06 H new ATOM 79 N GLU A 6 7.010 5.316 14.842 1.00 0.81 N ATOM 80 CA GLU A 6 7.729 4.044 14.721 1.00 0.89 C ATOM 81 C GLU A 6 6.742 2.864 14.652 1.00 0.92 C ATOM 82 O GLU A 6 6.912 1.969 13.821 1.00 1.00 O ATOM 83 CB GLU A 6 8.755 3.939 15.860 1.00 1.03 C ATOM 84 CG GLU A 6 9.256 2.519 16.173 1.00 1.44 C ATOM 85 CD GLU A 6 8.501 1.988 17.383 1.00 2.78 C ATOM 86 OE1 GLU A 6 8.897 2.342 18.513 1.00 3.76 O ATOM 87 OE2 GLU A 6 7.416 1.375 17.260 1.00 3.93 O ATOM 0 H GLU A 6 7.304 5.894 15.629 1.00 0.81 H new ATOM 0 HA GLU A 6 8.286 4.004 13.785 1.00 0.89 H new ATOM 0 HB2 GLU A 6 9.614 4.561 15.610 1.00 1.03 H new ATOM 0 HB3 GLU A 6 8.312 4.356 16.764 1.00 1.03 H new ATOM 0 HG2 GLU A 6 9.100 1.866 15.314 1.00 1.44 H new ATOM 0 HG3 GLU A 6 10.327 2.532 16.373 1.00 1.44 H new ATOM 94 N LYS A 7 5.621 2.887 15.391 1.00 0.93 N ATOM 95 CA LYS A 7 4.621 1.819 15.279 1.00 1.04 C ATOM 96 C LYS A 7 3.985 1.786 13.881 1.00 0.98 C ATOM 97 O LYS A 7 3.612 0.711 13.408 1.00 1.11 O ATOM 98 CB LYS A 7 3.601 1.913 16.435 1.00 1.25 C ATOM 99 CG LYS A 7 2.177 1.396 16.169 1.00 2.71 C ATOM 100 CD LYS A 7 1.372 2.451 15.389 1.00 4.29 C ATOM 101 CE LYS A 7 0.728 1.908 14.120 1.00 6.33 C ATOM 102 NZ LYS A 7 -0.332 0.903 14.345 1.00 7.87 N ATOM 0 H LYS A 7 5.389 3.621 16.061 1.00 0.93 H new ATOM 0 HA LYS A 7 5.115 0.854 15.386 1.00 1.04 H new ATOM 0 HB2 LYS A 7 4.005 1.364 17.285 1.00 1.25 H new ATOM 0 HB3 LYS A 7 3.529 2.958 16.736 1.00 1.25 H new ATOM 0 HG2 LYS A 7 2.219 0.466 15.602 1.00 2.71 H new ATOM 0 HG3 LYS A 7 1.680 1.172 17.113 1.00 2.71 H new ATOM 0 HD2 LYS A 7 0.594 2.855 16.037 1.00 4.29 H new ATOM 0 HD3 LYS A 7 2.031 3.279 15.127 1.00 4.29 H new ATOM 0 HE2 LYS A 7 0.306 2.741 13.558 1.00 6.33 H new ATOM 0 HE3 LYS A 7 1.504 1.464 13.497 1.00 6.33 H new ATOM 0 HZ1 LYS A 7 -0.044 -0.005 13.928 1.00 7.87 H new ATOM 0 HZ2 LYS A 7 -0.484 0.782 15.367 1.00 7.87 H new ATOM 0 HZ3 LYS A 7 -1.215 1.224 13.899 1.00 7.87 H new ATOM 116 N ALA A 8 3.834 2.939 13.222 1.00 0.81 N ATOM 117 CA ALA A 8 3.261 3.050 11.875 1.00 0.73 C ATOM 118 C ALA A 8 4.133 2.310 10.864 1.00 0.63 C ATOM 119 O ALA A 8 3.659 1.380 10.206 1.00 0.62 O ATOM 120 CB ALA A 8 3.084 4.523 11.494 1.00 0.86 C ATOM 0 H ALA A 8 4.111 3.838 13.616 1.00 0.81 H new ATOM 0 HA ALA A 8 2.276 2.583 11.867 1.00 0.73 H new ATOM 0 HB1 ALA A 8 2.658 4.591 10.493 1.00 0.86 H new ATOM 0 HB2 ALA A 8 2.415 5.005 12.207 1.00 0.86 H new ATOM 0 HB3 ALA A 8 4.053 5.022 11.511 1.00 0.86 H new ATOM 126 N LEU A 9 5.432 2.619 10.856 1.00 0.65 N ATOM 127 CA LEU A 9 6.432 1.853 10.111 1.00 0.66 C ATOM 128 C LEU A 9 6.425 0.380 10.546 1.00 0.64 C ATOM 129 O LEU A 9 6.458 -0.491 9.676 1.00 0.63 O ATOM 130 CB LEU A 9 7.833 2.482 10.292 1.00 0.72 C ATOM 131 CG LEU A 9 8.195 3.655 9.354 1.00 0.71 C ATOM 132 CD1 LEU A 9 8.292 3.215 7.884 1.00 0.87 C ATOM 133 CD2 LEU A 9 7.226 4.838 9.481 1.00 0.83 C ATOM 0 H LEU A 9 5.820 3.411 11.368 1.00 0.65 H new ATOM 0 HA LEU A 9 6.178 1.887 9.052 1.00 0.66 H new ATOM 0 HB2 LEU A 9 7.919 2.831 11.321 1.00 0.72 H new ATOM 0 HB3 LEU A 9 8.578 1.697 10.158 1.00 0.72 H new ATOM 0 HG LEU A 9 9.179 3.991 9.680 1.00 0.71 H new ATOM 0 HD11 LEU A 9 8.549 4.074 7.263 1.00 0.87 H new ATOM 0 HD12 LEU A 9 9.063 2.451 7.783 1.00 0.87 H new ATOM 0 HD13 LEU A 9 7.333 2.808 7.562 1.00 0.87 H new ATOM 0 HD21 LEU A 9 7.530 5.632 8.799 1.00 0.83 H new ATOM 0 HD22 LEU A 9 6.217 4.510 9.230 1.00 0.83 H new ATOM 0 HD23 LEU A 9 7.242 5.213 10.504 1.00 0.83 H new ATOM 145 N THR A 10 6.265 0.083 11.849 1.00 0.68 N ATOM 146 CA THR A 10 6.280 -1.306 12.358 1.00 0.70 C ATOM 147 C THR A 10 5.124 -2.109 11.778 1.00 0.69 C ATOM 148 O THR A 10 5.304 -3.256 11.367 1.00 0.70 O ATOM 149 CB THR A 10 6.255 -1.349 13.886 1.00 0.82 C ATOM 150 OG1 THR A 10 7.380 -0.665 14.364 1.00 0.97 O ATOM 151 CG2 THR A 10 6.347 -2.779 14.416 1.00 1.11 C ATOM 0 H THR A 10 6.123 0.788 12.573 1.00 0.68 H new ATOM 0 HA THR A 10 7.215 -1.762 12.032 1.00 0.70 H new ATOM 0 HB THR A 10 5.318 -0.902 14.218 1.00 0.82 H new ATOM 0 HG1 THR A 10 7.275 0.295 14.197 1.00 0.97 H new ATOM 0 HG21 THR A 10 6.326 -2.765 15.506 1.00 1.11 H new ATOM 0 HG22 THR A 10 5.503 -3.360 14.044 1.00 1.11 H new ATOM 0 HG23 THR A 10 7.278 -3.234 14.077 1.00 1.11 H new ATOM 159 N THR A 11 3.948 -1.490 11.674 1.00 0.70 N ATOM 160 CA THR A 11 2.740 -2.061 11.061 1.00 0.70 C ATOM 161 C THR A 11 2.964 -2.285 9.565 1.00 0.65 C ATOM 162 O THR A 11 2.627 -3.350 9.054 1.00 0.68 O ATOM 163 CB THR A 11 1.542 -1.140 11.320 1.00 0.71 C ATOM 164 OG1 THR A 11 1.412 -0.899 12.705 1.00 0.89 O ATOM 165 CG2 THR A 11 0.219 -1.731 10.833 1.00 0.84 C ATOM 0 H THR A 11 3.801 -0.544 12.025 1.00 0.70 H new ATOM 0 HA THR A 11 2.525 -3.030 11.512 1.00 0.70 H new ATOM 0 HB THR A 11 1.740 -0.223 10.766 1.00 0.71 H new ATOM 0 HG1 THR A 11 2.197 -0.408 13.027 1.00 0.89 H new ATOM 0 HG21 THR A 11 -0.591 -1.033 11.044 1.00 0.84 H new ATOM 0 HG22 THR A 11 0.274 -1.909 9.759 1.00 0.84 H new ATOM 0 HG23 THR A 11 0.030 -2.673 11.348 1.00 0.84 H new ATOM 173 N MET A 12 3.575 -1.324 8.863 1.00 0.61 N ATOM 174 CA MET A 12 3.879 -1.415 7.425 1.00 0.59 C ATOM 175 C MET A 12 4.917 -2.495 7.100 1.00 0.62 C ATOM 176 O MET A 12 4.711 -3.239 6.146 1.00 0.69 O ATOM 177 CB MET A 12 4.347 -0.051 6.896 1.00 0.57 C ATOM 178 CG MET A 12 3.214 0.979 6.878 1.00 0.80 C ATOM 179 SD MET A 12 3.816 2.684 6.793 1.00 1.14 S ATOM 180 CE MET A 12 3.057 3.235 5.249 1.00 0.58 C ATOM 0 H MET A 12 3.878 -0.445 9.283 1.00 0.61 H new ATOM 0 HA MET A 12 2.956 -1.707 6.925 1.00 0.59 H new ATOM 0 HB2 MET A 12 5.162 0.318 7.518 1.00 0.57 H new ATOM 0 HB3 MET A 12 4.744 -0.170 5.888 1.00 0.57 H new ATOM 0 HG2 MET A 12 2.566 0.784 6.023 1.00 0.80 H new ATOM 0 HG3 MET A 12 2.605 0.858 7.774 1.00 0.80 H new ATOM 0 HE1 MET A 12 3.335 4.271 5.057 1.00 0.58 H new ATOM 0 HE2 MET A 12 3.405 2.608 4.428 1.00 0.58 H new ATOM 0 HE3 MET A 12 1.973 3.159 5.329 1.00 0.58 H new ATOM 190 N VAL A 13 5.985 -2.637 7.897 1.00 0.62 N ATOM 191 CA VAL A 13 6.955 -3.735 7.711 1.00 0.67 C ATOM 192 C VAL A 13 6.374 -5.104 8.100 1.00 0.72 C ATOM 193 O VAL A 13 6.617 -6.076 7.388 1.00 0.80 O ATOM 194 CB VAL A 13 8.324 -3.484 8.388 1.00 0.72 C ATOM 195 CG1 VAL A 13 8.967 -2.184 7.874 1.00 0.72 C ATOM 196 CG2 VAL A 13 8.235 -3.460 9.917 1.00 0.75 C ATOM 0 H VAL A 13 6.202 -2.012 8.673 1.00 0.62 H new ATOM 0 HA VAL A 13 7.152 -3.755 6.639 1.00 0.67 H new ATOM 0 HB VAL A 13 8.958 -4.327 8.114 1.00 0.72 H new ATOM 0 HG11 VAL A 13 9.927 -2.033 8.367 1.00 0.72 H new ATOM 0 HG12 VAL A 13 9.119 -2.254 6.797 1.00 0.72 H new ATOM 0 HG13 VAL A 13 8.311 -1.342 8.093 1.00 0.72 H new ATOM 0 HG21 VAL A 13 9.225 -3.280 10.336 1.00 0.75 H new ATOM 0 HG22 VAL A 13 7.559 -2.664 10.230 1.00 0.75 H new ATOM 0 HG23 VAL A 13 7.858 -4.418 10.275 1.00 0.75 H new ATOM 206 N THR A 14 5.552 -5.179 9.164 1.00 0.72 N ATOM 207 CA THR A 14 4.846 -6.409 9.584 1.00 0.80 C ATOM 208 C THR A 14 3.942 -6.936 8.478 1.00 0.83 C ATOM 209 O THR A 14 4.066 -8.102 8.097 1.00 1.00 O ATOM 210 CB THR A 14 4.023 -6.176 10.858 1.00 0.85 C ATOM 211 OG1 THR A 14 4.907 -5.862 11.893 1.00 0.95 O ATOM 212 CG2 THR A 14 3.244 -7.410 11.315 1.00 1.27 C ATOM 0 H THR A 14 5.356 -4.378 9.765 1.00 0.72 H new ATOM 0 HA THR A 14 5.611 -7.156 9.795 1.00 0.80 H new ATOM 0 HB THR A 14 3.310 -5.383 10.632 1.00 0.85 H new ATOM 0 HG1 THR A 14 4.969 -4.888 11.986 1.00 0.95 H new ATOM 0 HG21 THR A 14 2.685 -7.173 12.220 1.00 1.27 H new ATOM 0 HG22 THR A 14 2.551 -7.714 10.530 1.00 1.27 H new ATOM 0 HG23 THR A 14 3.939 -8.224 11.520 1.00 1.27 H new ATOM 220 N THR A 15 3.054 -6.082 7.960 1.00 0.72 N ATOM 221 CA THR A 15 2.110 -6.426 6.884 1.00 0.72 C ATOM 222 C THR A 15 2.849 -6.816 5.616 1.00 0.70 C ATOM 223 O THR A 15 2.600 -7.906 5.109 1.00 0.81 O ATOM 224 CB THR A 15 1.100 -5.305 6.611 1.00 0.74 C ATOM 225 OG1 THR A 15 1.763 -4.068 6.527 1.00 1.36 O ATOM 226 CG2 THR A 15 0.061 -5.190 7.727 1.00 0.82 C ATOM 0 H THR A 15 2.967 -5.117 8.279 1.00 0.72 H new ATOM 0 HA THR A 15 1.539 -7.288 7.228 1.00 0.72 H new ATOM 0 HB THR A 15 0.602 -5.553 5.674 1.00 0.74 H new ATOM 0 HG1 THR A 15 1.946 -3.733 7.430 1.00 1.36 H new ATOM 0 HG21 THR A 15 -0.635 -4.384 7.494 1.00 0.82 H new ATOM 0 HG22 THR A 15 -0.486 -6.129 7.813 1.00 0.82 H new ATOM 0 HG23 THR A 15 0.563 -4.975 8.670 1.00 0.82 H new ATOM 234 N PHE A 16 3.798 -6.005 5.139 1.00 0.67 N ATOM 235 CA PHE A 16 4.577 -6.285 3.924 1.00 0.69 C ATOM 236 C PHE A 16 5.373 -7.597 4.019 1.00 0.75 C ATOM 237 O PHE A 16 5.332 -8.423 3.104 1.00 0.76 O ATOM 238 CB PHE A 16 5.501 -5.093 3.659 1.00 0.72 C ATOM 239 CG PHE A 16 6.352 -5.183 2.407 1.00 0.74 C ATOM 240 CD1 PHE A 16 7.550 -5.916 2.428 1.00 1.52 C ATOM 241 CD2 PHE A 16 5.975 -4.513 1.225 1.00 1.99 C ATOM 242 CE1 PHE A 16 8.364 -5.971 1.290 1.00 1.52 C ATOM 243 CE2 PHE A 16 6.814 -4.535 0.095 1.00 2.00 C ATOM 244 CZ PHE A 16 8.014 -5.261 0.130 1.00 0.79 C ATOM 0 H PHE A 16 4.051 -5.125 5.589 1.00 0.67 H new ATOM 0 HA PHE A 16 3.888 -6.420 3.090 1.00 0.69 H new ATOM 0 HB2 PHE A 16 4.891 -4.192 3.597 1.00 0.72 H new ATOM 0 HB3 PHE A 16 6.162 -4.972 4.517 1.00 0.72 H new ATOM 0 HD1 PHE A 16 7.845 -6.439 3.326 1.00 1.52 H new ATOM 0 HD2 PHE A 16 5.037 -3.980 1.186 1.00 1.99 H new ATOM 0 HE1 PHE A 16 9.267 -6.563 1.304 1.00 1.52 H new ATOM 0 HE2 PHE A 16 6.535 -3.994 -0.797 1.00 2.00 H new ATOM 0 HZ PHE A 16 8.666 -5.274 -0.731 1.00 0.79 H new ATOM 254 N HIS A 17 6.080 -7.830 5.129 1.00 0.86 N ATOM 255 CA HIS A 17 6.832 -9.063 5.347 1.00 0.95 C ATOM 256 C HIS A 17 5.917 -10.297 5.254 1.00 1.00 C ATOM 257 O HIS A 17 6.310 -11.297 4.652 1.00 1.24 O ATOM 258 CB HIS A 17 7.554 -9.007 6.702 1.00 0.99 C ATOM 259 CG HIS A 17 8.423 -10.212 6.978 1.00 1.16 C ATOM 260 ND1 HIS A 17 7.996 -11.510 7.160 1.00 1.99 N ATOM 261 CD2 HIS A 17 9.789 -10.225 7.077 1.00 1.38 C ATOM 262 CE1 HIS A 17 9.076 -12.287 7.351 1.00 2.20 C ATOM 263 NE2 HIS A 17 10.192 -11.545 7.314 1.00 1.71 N ATOM 0 H HIS A 17 6.145 -7.166 5.901 1.00 0.86 H new ATOM 0 HA HIS A 17 7.581 -9.155 4.560 1.00 0.95 H new ATOM 0 HB2 HIS A 17 8.171 -8.109 6.738 1.00 0.99 H new ATOM 0 HB3 HIS A 17 6.812 -8.916 7.495 1.00 0.99 H new ATOM 0 HD1 HIS A 17 7.026 -11.827 7.151 1.00 1.99 H new ATOM 0 HD2 HIS A 17 10.440 -9.368 6.988 1.00 1.38 H new ATOM 0 HE1 HIS A 17 9.049 -13.355 7.511 1.00 2.20 H new ATOM 272 N LYS A 18 4.690 -10.240 5.786 1.00 0.88 N ATOM 273 CA LYS A 18 3.750 -11.365 5.766 1.00 0.95 C ATOM 274 C LYS A 18 3.403 -11.869 4.349 1.00 0.79 C ATOM 275 O LYS A 18 3.011 -13.022 4.198 1.00 0.98 O ATOM 276 CB LYS A 18 2.501 -10.963 6.575 1.00 1.07 C ATOM 277 CG LYS A 18 1.620 -12.172 6.946 1.00 1.56 C ATOM 278 CD LYS A 18 0.364 -12.284 6.071 1.00 2.19 C ATOM 279 CE LYS A 18 -0.868 -11.630 6.714 1.00 2.31 C ATOM 280 NZ LYS A 18 -0.652 -10.229 7.141 1.00 3.20 N ATOM 0 H LYS A 18 4.320 -9.407 6.245 1.00 0.88 H new ATOM 0 HA LYS A 18 4.233 -12.225 6.231 1.00 0.95 H new ATOM 0 HB2 LYS A 18 2.812 -10.452 7.486 1.00 1.07 H new ATOM 0 HB3 LYS A 18 1.911 -10.252 5.996 1.00 1.07 H new ATOM 0 HG2 LYS A 18 2.206 -13.086 6.850 1.00 1.56 H new ATOM 0 HG3 LYS A 18 1.323 -12.092 7.992 1.00 1.56 H new ATOM 0 HD2 LYS A 18 0.556 -11.816 5.106 1.00 2.19 H new ATOM 0 HD3 LYS A 18 0.153 -13.336 5.879 1.00 2.19 H new ATOM 0 HE2 LYS A 18 -1.694 -11.659 6.004 1.00 2.31 H new ATOM 0 HE3 LYS A 18 -1.170 -12.220 7.579 1.00 2.31 H new ATOM 0 HZ1 LYS A 18 -1.483 -9.895 7.670 1.00 3.20 H new ATOM 0 HZ2 LYS A 18 0.189 -10.178 7.750 1.00 3.20 H new ATOM 0 HZ3 LYS A 18 -0.510 -9.629 6.304 1.00 3.20 H new ATOM 294 N TYR A 19 3.576 -11.041 3.314 1.00 0.61 N ATOM 295 CA TYR A 19 3.353 -11.390 1.898 1.00 0.64 C ATOM 296 C TYR A 19 4.657 -11.497 1.075 1.00 0.83 C ATOM 297 O TYR A 19 4.605 -11.746 -0.125 1.00 1.46 O ATOM 298 CB TYR A 19 2.371 -10.375 1.291 1.00 0.60 C ATOM 299 CG TYR A 19 0.990 -10.424 1.917 1.00 0.54 C ATOM 300 CD1 TYR A 19 0.005 -11.307 1.438 1.00 2.06 C ATOM 301 CD2 TYR A 19 0.703 -9.606 3.020 1.00 1.75 C ATOM 302 CE1 TYR A 19 -1.251 -11.383 2.066 1.00 2.05 C ATOM 303 CE2 TYR A 19 -0.540 -9.685 3.668 1.00 1.86 C ATOM 304 CZ TYR A 19 -1.528 -10.569 3.191 1.00 0.76 C ATOM 305 OH TYR A 19 -2.728 -10.655 3.815 1.00 0.98 O ATOM 0 H TYR A 19 3.885 -10.077 3.437 1.00 0.61 H new ATOM 0 HA TYR A 19 2.923 -12.391 1.859 1.00 0.64 H new ATOM 0 HB2 TYR A 19 2.779 -9.371 1.408 1.00 0.60 H new ATOM 0 HB3 TYR A 19 2.283 -10.561 0.221 1.00 0.60 H new ATOM 0 HD1 TYR A 19 0.215 -11.931 0.582 1.00 2.06 H new ATOM 0 HD2 TYR A 19 1.447 -8.908 3.375 1.00 1.75 H new ATOM 0 HE1 TYR A 19 -2.003 -12.061 1.691 1.00 2.05 H new ATOM 0 HE2 TYR A 19 -0.739 -9.068 4.532 1.00 1.86 H new ATOM 0 HH TYR A 19 -2.673 -10.220 4.692 1.00 0.98 H new ATOM 315 N SER A 20 5.820 -11.360 1.716 1.00 0.76 N ATOM 316 CA SER A 20 7.151 -11.430 1.095 1.00 0.87 C ATOM 317 C SER A 20 7.898 -12.660 1.643 1.00 1.04 C ATOM 318 O SER A 20 8.036 -13.678 0.957 1.00 1.67 O ATOM 319 CB SER A 20 7.905 -10.115 1.375 1.00 0.94 C ATOM 320 OG SER A 20 7.115 -8.964 1.127 1.00 2.18 O ATOM 0 H SER A 20 5.866 -11.191 2.721 1.00 0.76 H new ATOM 0 HA SER A 20 7.073 -11.545 0.014 1.00 0.87 H new ATOM 0 HB2 SER A 20 8.236 -10.106 2.413 1.00 0.94 H new ATOM 0 HB3 SER A 20 8.800 -10.076 0.755 1.00 0.94 H new ATOM 0 HG SER A 20 6.599 -8.742 1.930 1.00 2.18 H new ATOM 326 N GLY A 21 8.203 -12.647 2.949 1.00 1.02 N ATOM 327 CA GLY A 21 8.730 -13.781 3.713 1.00 1.19 C ATOM 328 C GLY A 21 7.691 -14.865 4.024 1.00 1.14 C ATOM 329 O GLY A 21 7.833 -15.543 5.037 1.00 1.63 O ATOM 0 H GLY A 21 8.084 -11.812 3.522 1.00 1.02 H new ATOM 0 HA2 GLY A 21 9.552 -14.230 3.155 1.00 1.19 H new ATOM 0 HA3 GLY A 21 9.145 -13.412 4.651 1.00 1.19 H new ATOM 332 N ARG A 22 6.664 -15.025 3.174 1.00 1.19 N ATOM 333 CA ARG A 22 5.792 -16.214 3.168 1.00 1.62 C ATOM 334 C ARG A 22 6.518 -17.412 2.521 1.00 1.99 C ATOM 335 O ARG A 22 6.558 -18.492 3.105 1.00 2.65 O ATOM 336 CB ARG A 22 4.411 -15.918 2.535 1.00 1.78 C ATOM 337 CG ARG A 22 4.397 -15.183 1.178 1.00 1.84 C ATOM 338 CD ARG A 22 3.003 -15.149 0.508 1.00 1.80 C ATOM 339 NE ARG A 22 2.701 -16.449 -0.102 1.00 2.09 N ATOM 340 CZ ARG A 22 1.643 -16.871 -0.782 1.00 2.59 C ATOM 341 NH1 ARG A 22 0.564 -16.152 -1.011 1.00 3.05 N ATOM 342 NH2 ARG A 22 1.682 -18.091 -1.267 1.00 3.84 N ATOM 0 H ARG A 22 6.413 -14.332 2.469 1.00 1.19 H new ATOM 0 HA ARG A 22 5.580 -16.491 4.201 1.00 1.62 H new ATOM 0 HB2 ARG A 22 3.887 -16.866 2.411 1.00 1.78 H new ATOM 0 HB3 ARG A 22 3.834 -15.326 3.245 1.00 1.78 H new ATOM 0 HG2 ARG A 22 4.746 -14.161 1.324 1.00 1.84 H new ATOM 0 HG3 ARG A 22 5.103 -15.668 0.504 1.00 1.84 H new ATOM 0 HD2 ARG A 22 2.242 -14.901 1.248 1.00 1.80 H new ATOM 0 HD3 ARG A 22 2.976 -14.368 -0.252 1.00 1.80 H new ATOM 0 HE ARG A 22 3.432 -17.150 0.018 1.00 2.09 H new ATOM 0 HH11 ARG A 22 0.502 -15.198 -0.655 1.00 3.05 H new ATOM 0 HH12 ARG A 22 -0.210 -16.549 -1.544 1.00 3.05 H new ATOM 0 HH21 ARG A 22 2.505 -18.674 -1.115 1.00 3.84 H new ATOM 0 HH22 ARG A 22 0.890 -18.455 -1.796 1.00 3.84 H new ATOM 356 N GLU A 23 7.197 -17.168 1.393 1.00 1.93 N ATOM 357 CA GLU A 23 8.076 -18.127 0.708 1.00 2.53 C ATOM 358 C GLU A 23 9.482 -17.576 0.405 1.00 2.38 C ATOM 359 O GLU A 23 10.382 -18.367 0.141 1.00 3.01 O ATOM 360 CB GLU A 23 7.454 -18.564 -0.633 1.00 3.07 C ATOM 361 CG GLU A 23 6.308 -19.583 -0.521 1.00 3.94 C ATOM 362 CD GLU A 23 4.935 -18.916 -0.524 1.00 4.74 C ATOM 363 OE1 GLU A 23 4.491 -18.434 0.535 1.00 5.65 O ATOM 364 OE2 GLU A 23 4.284 -18.859 -1.587 1.00 5.22 O ATOM 0 H GLU A 23 7.149 -16.268 0.915 1.00 1.93 H new ATOM 0 HA GLU A 23 8.178 -18.963 1.400 1.00 2.53 H new ATOM 0 HB2 GLU A 23 7.083 -17.679 -1.149 1.00 3.07 H new ATOM 0 HB3 GLU A 23 8.239 -18.991 -1.257 1.00 3.07 H new ATOM 0 HG2 GLU A 23 6.369 -20.287 -1.351 1.00 3.94 H new ATOM 0 HG3 GLU A 23 6.427 -20.160 0.396 1.00 3.94 H new ATOM 371 N GLY A 24 9.701 -16.253 0.395 1.00 2.48 N ATOM 372 CA GLY A 24 10.926 -15.689 -0.174 1.00 2.48 C ATOM 373 C GLY A 24 11.417 -14.393 0.455 1.00 2.19 C ATOM 374 O GLY A 24 11.514 -14.249 1.672 1.00 3.33 O ATOM 0 H GLY A 24 9.051 -15.563 0.771 1.00 2.48 H new ATOM 0 HA2 GLY A 24 11.718 -16.433 -0.091 1.00 2.48 H new ATOM 0 HA3 GLY A 24 10.763 -15.515 -1.238 1.00 2.48 H new ATOM 377 N SER A 25 11.854 -13.497 -0.416 1.00 1.40 N ATOM 378 CA SER A 25 12.662 -12.318 -0.132 1.00 1.14 C ATOM 379 C SER A 25 12.030 -11.397 0.925 1.00 1.15 C ATOM 380 O SER A 25 11.029 -10.744 0.679 1.00 1.60 O ATOM 381 CB SER A 25 12.822 -11.564 -1.459 1.00 1.50 C ATOM 382 OG SER A 25 13.149 -12.411 -2.551 1.00 2.95 O ATOM 0 H SER A 25 11.639 -13.579 -1.410 1.00 1.40 H new ATOM 0 HA SER A 25 13.620 -12.631 0.282 1.00 1.14 H new ATOM 0 HB2 SER A 25 11.895 -11.036 -1.683 1.00 1.50 H new ATOM 0 HB3 SER A 25 13.600 -10.809 -1.348 1.00 1.50 H new ATOM 0 HG SER A 25 12.845 -11.999 -3.387 1.00 2.95 H new ATOM 388 N LYS A 26 12.599 -11.265 2.127 1.00 1.06 N ATOM 389 CA LYS A 26 11.915 -10.549 3.222 1.00 1.08 C ATOM 390 C LYS A 26 11.696 -9.035 2.960 1.00 1.05 C ATOM 391 O LYS A 26 10.892 -8.397 3.641 1.00 1.22 O ATOM 392 CB LYS A 26 12.679 -10.825 4.523 1.00 1.32 C ATOM 393 CG LYS A 26 12.527 -12.299 4.958 1.00 1.38 C ATOM 394 CD LYS A 26 13.348 -12.652 6.206 1.00 1.65 C ATOM 395 CE LYS A 26 14.835 -12.697 5.834 1.00 2.17 C ATOM 396 NZ LYS A 26 15.718 -13.187 6.914 1.00 2.76 N ATOM 0 H LYS A 26 13.517 -11.636 2.370 1.00 1.06 H new ATOM 0 HA LYS A 26 10.898 -10.934 3.299 1.00 1.08 H new ATOM 0 HB2 LYS A 26 13.735 -10.591 4.385 1.00 1.32 H new ATOM 0 HB3 LYS A 26 12.308 -10.170 5.312 1.00 1.32 H new ATOM 0 HG2 LYS A 26 11.475 -12.506 5.153 1.00 1.38 H new ATOM 0 HG3 LYS A 26 12.832 -12.946 4.136 1.00 1.38 H new ATOM 0 HD2 LYS A 26 13.179 -11.913 6.989 1.00 1.65 H new ATOM 0 HD3 LYS A 26 13.031 -13.616 6.604 1.00 1.65 H new ATOM 0 HE2 LYS A 26 14.960 -13.337 4.960 1.00 2.17 H new ATOM 0 HE3 LYS A 26 15.156 -11.696 5.545 1.00 2.17 H new ATOM 0 HZ1 LYS A 26 16.704 -13.187 6.583 1.00 2.76 H new ATOM 0 HZ2 LYS A 26 15.631 -12.565 7.743 1.00 2.76 H new ATOM 0 HZ3 LYS A 26 15.441 -14.154 7.177 1.00 2.76 H new ATOM 410 N LEU A 27 12.381 -8.481 1.949 1.00 1.02 N ATOM 411 CA LEU A 27 12.228 -7.115 1.435 1.00 1.11 C ATOM 412 C LEU A 27 11.452 -7.003 0.110 1.00 0.95 C ATOM 413 O LEU A 27 11.204 -5.864 -0.293 1.00 1.06 O ATOM 414 CB LEU A 27 13.620 -6.501 1.209 1.00 1.51 C ATOM 415 CG LEU A 27 14.484 -6.239 2.453 1.00 2.26 C ATOM 416 CD1 LEU A 27 15.743 -5.522 1.950 1.00 2.54 C ATOM 417 CD2 LEU A 27 13.758 -5.387 3.509 1.00 3.49 C ATOM 0 H LEU A 27 13.095 -9.004 1.441 1.00 1.02 H new ATOM 0 HA LEU A 27 11.647 -6.587 2.191 1.00 1.11 H new ATOM 0 HB2 LEU A 27 14.177 -7.162 0.545 1.00 1.51 H new ATOM 0 HB3 LEU A 27 13.490 -5.555 0.683 1.00 1.51 H new ATOM 0 HG LEU A 27 14.719 -7.179 2.952 1.00 2.26 H new ATOM 0 HD11 LEU A 27 16.401 -5.307 2.792 1.00 2.54 H new ATOM 0 HD12 LEU A 27 16.264 -6.160 1.236 1.00 2.54 H new ATOM 0 HD13 LEU A 27 15.460 -4.588 1.464 1.00 2.54 H new ATOM 0 HD21 LEU A 27 14.414 -5.233 4.366 1.00 3.49 H new ATOM 0 HD22 LEU A 27 13.492 -4.422 3.078 1.00 3.49 H new ATOM 0 HD23 LEU A 27 12.853 -5.902 3.833 1.00 3.49 H new ATOM 429 N THR A 28 11.092 -8.113 -0.559 1.00 0.85 N ATOM 430 CA THR A 28 10.467 -8.086 -1.892 1.00 0.86 C ATOM 431 C THR A 28 9.433 -9.186 -2.155 1.00 0.99 C ATOM 432 O THR A 28 9.517 -10.310 -1.668 1.00 1.36 O ATOM 433 CB THR A 28 11.502 -8.026 -3.031 1.00 0.78 C ATOM 434 OG1 THR A 28 12.432 -9.068 -2.946 1.00 0.90 O ATOM 435 CG2 THR A 28 12.358 -6.762 -3.071 1.00 0.86 C ATOM 0 H THR A 28 11.227 -9.054 -0.190 1.00 0.85 H new ATOM 0 HA THR A 28 9.903 -7.153 -1.884 1.00 0.86 H new ATOM 0 HB THR A 28 10.869 -8.076 -3.917 1.00 0.78 H new ATOM 0 HG1 THR A 28 12.340 -9.653 -3.727 1.00 0.90 H new ATOM 0 HG21 THR A 28 13.053 -6.820 -3.909 1.00 0.86 H new ATOM 0 HG22 THR A 28 11.715 -5.891 -3.193 1.00 0.86 H new ATOM 0 HG23 THR A 28 12.918 -6.672 -2.140 1.00 0.86 H new ATOM 443 N LEU A 29 8.424 -8.852 -2.966 1.00 0.79 N ATOM 444 CA LEU A 29 7.281 -9.722 -3.305 1.00 0.76 C ATOM 445 C LEU A 29 6.708 -9.410 -4.683 1.00 0.75 C ATOM 446 O LEU A 29 6.891 -8.305 -5.183 1.00 0.80 O ATOM 447 CB LEU A 29 6.173 -9.645 -2.232 1.00 0.72 C ATOM 448 CG LEU A 29 5.273 -8.386 -2.246 1.00 0.65 C ATOM 449 CD1 LEU A 29 4.187 -8.515 -1.170 1.00 0.73 C ATOM 450 CD2 LEU A 29 6.065 -7.095 -2.010 1.00 0.73 C ATOM 0 H LEU A 29 8.374 -7.941 -3.422 1.00 0.79 H new ATOM 0 HA LEU A 29 7.666 -10.741 -3.330 1.00 0.76 H new ATOM 0 HB2 LEU A 29 5.533 -10.521 -2.341 1.00 0.72 H new ATOM 0 HB3 LEU A 29 6.644 -9.715 -1.252 1.00 0.72 H new ATOM 0 HG LEU A 29 4.825 -8.323 -3.238 1.00 0.65 H new ATOM 0 HD11 LEU A 29 3.555 -7.627 -1.183 1.00 0.73 H new ATOM 0 HD12 LEU A 29 3.578 -9.396 -1.371 1.00 0.73 H new ATOM 0 HD13 LEU A 29 4.655 -8.613 -0.191 1.00 0.73 H new ATOM 0 HD21 LEU A 29 5.386 -6.243 -2.030 1.00 0.73 H new ATOM 0 HD22 LEU A 29 6.559 -7.143 -1.039 1.00 0.73 H new ATOM 0 HD23 LEU A 29 6.815 -6.980 -2.793 1.00 0.73 H new ATOM 462 N SER A 30 5.986 -10.351 -5.289 1.00 0.82 N ATOM 463 CA SER A 30 5.450 -10.154 -6.635 1.00 0.85 C ATOM 464 C SER A 30 4.291 -9.153 -6.657 1.00 0.87 C ATOM 465 O SER A 30 3.457 -9.110 -5.742 1.00 0.97 O ATOM 466 CB SER A 30 5.039 -11.478 -7.282 1.00 0.95 C ATOM 467 OG SER A 30 3.933 -12.089 -6.632 1.00 1.46 O ATOM 0 H SER A 30 5.759 -11.254 -4.872 1.00 0.82 H new ATOM 0 HA SER A 30 6.259 -9.728 -7.229 1.00 0.85 H new ATOM 0 HB2 SER A 30 4.788 -11.303 -8.328 1.00 0.95 H new ATOM 0 HB3 SER A 30 5.887 -12.163 -7.267 1.00 0.95 H new ATOM 0 HG SER A 30 3.711 -12.929 -7.085 1.00 1.46 H new ATOM 473 N ARG A 31 4.210 -8.349 -7.722 1.00 0.81 N ATOM 474 CA ARG A 31 3.178 -7.312 -7.839 1.00 0.82 C ATOM 475 C ARG A 31 1.733 -7.838 -7.889 1.00 0.86 C ATOM 476 O ARG A 31 0.829 -7.103 -7.499 1.00 0.94 O ATOM 477 CB ARG A 31 3.528 -6.267 -8.896 1.00 0.89 C ATOM 478 CG ARG A 31 4.001 -6.749 -10.269 1.00 1.63 C ATOM 479 CD ARG A 31 5.028 -5.758 -10.812 1.00 1.89 C ATOM 480 NE ARG A 31 4.465 -4.415 -11.075 1.00 2.27 N ATOM 481 CZ ARG A 31 5.040 -3.261 -10.747 1.00 2.34 C ATOM 482 NH1 ARG A 31 6.280 -3.197 -10.318 1.00 2.49 N ATOM 483 NH2 ARG A 31 4.371 -2.132 -10.815 1.00 3.02 N ATOM 0 H ARG A 31 4.847 -8.396 -8.517 1.00 0.81 H new ATOM 0 HA ARG A 31 3.188 -6.776 -6.890 1.00 0.82 H new ATOM 0 HB2 ARG A 31 2.648 -5.642 -9.049 1.00 0.89 H new ATOM 0 HB3 ARG A 31 4.307 -5.626 -8.483 1.00 0.89 H new ATOM 0 HG2 ARG A 31 4.441 -7.743 -10.189 1.00 1.63 H new ATOM 0 HG3 ARG A 31 3.156 -6.829 -10.953 1.00 1.63 H new ATOM 0 HD2 ARG A 31 5.847 -5.667 -10.099 1.00 1.89 H new ATOM 0 HD3 ARG A 31 5.451 -6.154 -11.735 1.00 1.89 H new ATOM 0 HE ARG A 31 3.562 -4.370 -11.547 1.00 2.27 H new ATOM 0 HH11 ARG A 31 6.833 -4.049 -10.228 1.00 2.49 H new ATOM 0 HH12 ARG A 31 6.690 -2.295 -10.075 1.00 2.49 H new ATOM 0 HH21 ARG A 31 3.398 -2.133 -11.122 1.00 3.02 H new ATOM 0 HH22 ARG A 31 4.824 -1.254 -10.560 1.00 3.02 H new ATOM 497 N LYS A 32 1.505 -9.117 -8.209 1.00 0.88 N ATOM 498 CA LYS A 32 0.277 -9.844 -7.852 1.00 0.90 C ATOM 499 C LYS A 32 -0.015 -9.700 -6.345 1.00 0.74 C ATOM 500 O LYS A 32 -1.080 -9.240 -5.943 1.00 0.77 O ATOM 501 CB LYS A 32 0.455 -11.326 -8.282 1.00 1.01 C ATOM 502 CG LYS A 32 -0.778 -12.249 -8.186 1.00 1.99 C ATOM 503 CD LYS A 32 -1.357 -12.313 -6.770 1.00 3.66 C ATOM 504 CE LYS A 32 -2.278 -13.490 -6.481 1.00 5.26 C ATOM 505 NZ LYS A 32 -2.706 -13.460 -5.059 1.00 7.37 N ATOM 0 H LYS A 32 2.174 -9.684 -8.729 1.00 0.88 H new ATOM 0 HA LYS A 32 -0.586 -9.428 -8.372 1.00 0.90 H new ATOM 0 HB2 LYS A 32 0.804 -11.337 -9.315 1.00 1.01 H new ATOM 0 HB3 LYS A 32 1.248 -11.760 -7.673 1.00 1.01 H new ATOM 0 HG2 LYS A 32 -1.547 -11.895 -8.873 1.00 1.99 H new ATOM 0 HG3 LYS A 32 -0.501 -13.253 -8.507 1.00 1.99 H new ATOM 0 HD2 LYS A 32 -0.530 -12.341 -6.061 1.00 3.66 H new ATOM 0 HD3 LYS A 32 -1.907 -11.391 -6.581 1.00 3.66 H new ATOM 0 HE2 LYS A 32 -3.150 -13.449 -7.133 1.00 5.26 H new ATOM 0 HE3 LYS A 32 -1.763 -14.427 -6.695 1.00 5.26 H new ATOM 0 HZ1 LYS A 32 -3.279 -14.303 -4.851 1.00 7.37 H new ATOM 0 HZ2 LYS A 32 -1.867 -13.451 -4.444 1.00 7.37 H new ATOM 0 HZ3 LYS A 32 -3.272 -12.605 -4.885 1.00 7.37 H new ATOM 519 N GLU A 33 0.903 -10.131 -5.488 1.00 0.73 N ATOM 520 CA GLU A 33 0.619 -10.314 -4.067 1.00 0.78 C ATOM 521 C GLU A 33 0.538 -8.975 -3.317 1.00 0.72 C ATOM 522 O GLU A 33 -0.285 -8.817 -2.416 1.00 0.71 O ATOM 523 CB GLU A 33 1.664 -11.279 -3.494 1.00 0.99 C ATOM 524 CG GLU A 33 1.218 -11.928 -2.182 1.00 1.49 C ATOM 525 CD GLU A 33 0.058 -12.935 -2.282 1.00 2.12 C ATOM 526 OE1 GLU A 33 -0.553 -13.105 -3.371 1.00 2.72 O ATOM 527 OE2 GLU A 33 -0.213 -13.575 -1.243 1.00 3.02 O ATOM 0 H GLU A 33 1.860 -10.363 -5.755 1.00 0.73 H new ATOM 0 HA GLU A 33 -0.369 -10.755 -3.934 1.00 0.78 H new ATOM 0 HB2 GLU A 33 1.872 -12.059 -4.227 1.00 0.99 H new ATOM 0 HB3 GLU A 33 2.597 -10.740 -3.328 1.00 0.99 H new ATOM 0 HG2 GLU A 33 2.076 -12.436 -1.742 1.00 1.49 H new ATOM 0 HG3 GLU A 33 0.927 -11.137 -1.490 1.00 1.49 H new ATOM 534 N LEU A 34 1.290 -7.960 -3.754 1.00 0.72 N ATOM 535 CA LEU A 34 1.206 -6.606 -3.211 1.00 0.71 C ATOM 536 C LEU A 34 -0.198 -6.009 -3.363 1.00 0.63 C ATOM 537 O LEU A 34 -0.750 -5.443 -2.417 1.00 0.62 O ATOM 538 CB LEU A 34 2.253 -5.744 -3.930 1.00 0.81 C ATOM 539 CG LEU A 34 2.378 -4.330 -3.336 1.00 1.00 C ATOM 540 CD1 LEU A 34 2.804 -4.390 -1.862 1.00 1.38 C ATOM 541 CD2 LEU A 34 3.403 -3.554 -4.163 1.00 1.26 C ATOM 0 H LEU A 34 1.978 -8.059 -4.500 1.00 0.72 H new ATOM 0 HA LEU A 34 1.407 -6.634 -2.140 1.00 0.71 H new ATOM 0 HB2 LEU A 34 3.222 -6.241 -3.879 1.00 0.81 H new ATOM 0 HB3 LEU A 34 1.990 -5.667 -4.985 1.00 0.81 H new ATOM 0 HG LEU A 34 1.411 -3.828 -3.373 1.00 1.00 H new ATOM 0 HD11 LEU A 34 2.885 -3.378 -1.465 1.00 1.38 H new ATOM 0 HD12 LEU A 34 2.060 -4.945 -1.291 1.00 1.38 H new ATOM 0 HD13 LEU A 34 3.769 -4.890 -1.782 1.00 1.38 H new ATOM 0 HD21 LEU A 34 3.508 -2.547 -3.760 1.00 1.26 H new ATOM 0 HD22 LEU A 34 4.365 -4.064 -4.121 1.00 1.26 H new ATOM 0 HD23 LEU A 34 3.067 -3.497 -5.198 1.00 1.26 H new ATOM 553 N LYS A 35 -0.818 -6.148 -4.540 1.00 0.66 N ATOM 554 CA LYS A 35 -2.186 -5.659 -4.722 1.00 0.71 C ATOM 555 C LYS A 35 -3.211 -6.450 -3.889 1.00 0.69 C ATOM 556 O LYS A 35 -4.227 -5.882 -3.498 1.00 0.79 O ATOM 557 CB LYS A 35 -2.528 -5.579 -6.216 1.00 0.94 C ATOM 558 CG LYS A 35 -2.794 -6.924 -6.897 1.00 1.54 C ATOM 559 CD LYS A 35 -3.652 -6.815 -8.146 1.00 1.43 C ATOM 560 CE LYS A 35 -5.119 -6.545 -7.787 1.00 2.11 C ATOM 561 NZ LYS A 35 -5.966 -6.558 -9.000 1.00 3.19 N ATOM 0 H LYS A 35 -0.404 -6.585 -5.363 1.00 0.66 H new ATOM 0 HA LYS A 35 -2.244 -4.644 -4.329 1.00 0.71 H new ATOM 0 HB2 LYS A 35 -3.408 -4.948 -6.337 1.00 0.94 H new ATOM 0 HB3 LYS A 35 -1.707 -5.084 -6.734 1.00 0.94 H new ATOM 0 HG2 LYS A 35 -1.841 -7.383 -7.160 1.00 1.54 H new ATOM 0 HG3 LYS A 35 -3.284 -7.591 -6.187 1.00 1.54 H new ATOM 0 HD2 LYS A 35 -3.276 -6.012 -8.780 1.00 1.43 H new ATOM 0 HD3 LYS A 35 -3.579 -7.737 -8.722 1.00 1.43 H new ATOM 0 HE2 LYS A 35 -5.471 -7.300 -7.084 1.00 2.11 H new ATOM 0 HE3 LYS A 35 -5.205 -5.580 -7.288 1.00 2.11 H new ATOM 0 HZ1 LYS A 35 -6.965 -6.458 -8.727 1.00 3.19 H new ATOM 0 HZ2 LYS A 35 -5.696 -5.768 -9.621 1.00 3.19 H new ATOM 0 HZ3 LYS A 35 -5.834 -7.457 -9.506 1.00 3.19 H new ATOM 575 N GLU A 36 -2.940 -7.732 -3.599 1.00 0.65 N ATOM 576 CA GLU A 36 -3.765 -8.551 -2.723 1.00 0.68 C ATOM 577 C GLU A 36 -3.778 -7.915 -1.332 1.00 0.68 C ATOM 578 O GLU A 36 -4.854 -7.588 -0.837 1.00 0.82 O ATOM 579 CB GLU A 36 -3.242 -9.998 -2.662 1.00 0.76 C ATOM 580 CG GLU A 36 -4.314 -10.926 -2.075 1.00 0.96 C ATOM 581 CD GLU A 36 -5.146 -11.701 -3.093 1.00 1.55 C ATOM 582 OE1 GLU A 36 -4.719 -11.856 -4.257 1.00 2.59 O ATOM 583 OE2 GLU A 36 -6.221 -12.178 -2.670 1.00 2.14 O ATOM 0 H GLU A 36 -2.131 -8.227 -3.975 1.00 0.65 H new ATOM 0 HA GLU A 36 -4.781 -8.595 -3.116 1.00 0.68 H new ATOM 0 HB2 GLU A 36 -2.967 -10.335 -3.661 1.00 0.76 H new ATOM 0 HB3 GLU A 36 -2.340 -10.041 -2.051 1.00 0.76 H new ATOM 0 HG2 GLU A 36 -3.827 -11.641 -1.412 1.00 0.96 H new ATOM 0 HG3 GLU A 36 -4.988 -10.329 -1.460 1.00 0.96 H new ATOM 590 N LEU A 37 -2.592 -7.655 -0.758 1.00 0.63 N ATOM 591 CA LEU A 37 -2.396 -7.047 0.562 1.00 0.68 C ATOM 592 C LEU A 37 -3.216 -5.755 0.724 1.00 0.68 C ATOM 593 O LEU A 37 -3.943 -5.592 1.707 1.00 0.77 O ATOM 594 CB LEU A 37 -0.874 -6.854 0.774 1.00 0.70 C ATOM 595 CG LEU A 37 -0.440 -5.917 1.923 1.00 0.80 C ATOM 596 CD1 LEU A 37 -0.938 -6.334 3.312 1.00 1.28 C ATOM 597 CD2 LEU A 37 1.094 -5.828 1.943 1.00 1.26 C ATOM 0 H LEU A 37 -1.710 -7.873 -1.222 1.00 0.63 H new ATOM 0 HA LEU A 37 -2.773 -7.703 1.347 1.00 0.68 H new ATOM 0 HB2 LEU A 37 -0.429 -7.834 0.949 1.00 0.70 H new ATOM 0 HB3 LEU A 37 -0.448 -6.472 -0.154 1.00 0.70 H new ATOM 0 HG LEU A 37 -0.902 -4.951 1.717 1.00 0.80 H new ATOM 0 HD11 LEU A 37 -0.585 -5.619 4.055 1.00 1.28 H new ATOM 0 HD12 LEU A 37 -2.028 -6.354 3.317 1.00 1.28 H new ATOM 0 HD13 LEU A 37 -0.556 -7.326 3.553 1.00 1.28 H new ATOM 0 HD21 LEU A 37 1.410 -5.168 2.751 1.00 1.26 H new ATOM 0 HD22 LEU A 37 1.514 -6.821 2.100 1.00 1.26 H new ATOM 0 HD23 LEU A 37 1.448 -5.431 0.992 1.00 1.26 H new ATOM 609 N ILE A 38 -3.167 -4.881 -0.281 1.00 0.67 N ATOM 610 CA ILE A 38 -3.871 -3.583 -0.325 1.00 0.76 C ATOM 611 C ILE A 38 -5.410 -3.723 -0.392 1.00 0.88 C ATOM 612 O ILE A 38 -6.122 -2.770 -0.091 1.00 1.25 O ATOM 613 CB ILE A 38 -3.259 -2.736 -1.471 1.00 0.76 C ATOM 614 CG1 ILE A 38 -1.756 -2.473 -1.196 1.00 0.79 C ATOM 615 CG2 ILE A 38 -3.984 -1.388 -1.673 1.00 0.92 C ATOM 616 CD1 ILE A 38 -0.973 -2.106 -2.458 1.00 1.02 C ATOM 0 H ILE A 38 -2.618 -5.057 -1.122 1.00 0.67 H new ATOM 0 HA ILE A 38 -3.716 -3.054 0.616 1.00 0.76 H new ATOM 0 HB ILE A 38 -3.382 -3.315 -2.386 1.00 0.76 H new ATOM 0 HG12 ILE A 38 -1.661 -1.667 -0.469 1.00 0.79 H new ATOM 0 HG13 ILE A 38 -1.314 -3.362 -0.746 1.00 0.79 H new ATOM 0 HG21 ILE A 38 -3.512 -0.839 -2.488 1.00 0.92 H new ATOM 0 HG22 ILE A 38 -5.030 -1.571 -1.917 1.00 0.92 H new ATOM 0 HG23 ILE A 38 -3.923 -0.801 -0.757 1.00 0.92 H new ATOM 0 HD11 ILE A 38 0.072 -1.934 -2.201 1.00 1.02 H new ATOM 0 HD12 ILE A 38 -1.040 -2.922 -3.178 1.00 1.02 H new ATOM 0 HD13 ILE A 38 -1.393 -1.200 -2.896 1.00 1.02 H new ATOM 628 N LYS A 39 -5.935 -4.899 -0.750 1.00 0.74 N ATOM 629 CA LYS A 39 -7.353 -5.271 -0.638 1.00 0.82 C ATOM 630 C LYS A 39 -7.697 -6.318 0.450 1.00 0.86 C ATOM 631 O LYS A 39 -8.876 -6.623 0.643 1.00 1.03 O ATOM 632 CB LYS A 39 -7.829 -5.723 -2.038 1.00 0.90 C ATOM 633 CG LYS A 39 -8.599 -4.630 -2.799 1.00 1.11 C ATOM 634 CD LYS A 39 -9.844 -4.101 -2.061 1.00 1.89 C ATOM 635 CE LYS A 39 -10.814 -5.226 -1.665 1.00 2.82 C ATOM 636 NZ LYS A 39 -11.881 -4.732 -0.771 1.00 3.70 N ATOM 0 H LYS A 39 -5.364 -5.648 -1.141 1.00 0.74 H new ATOM 0 HA LYS A 39 -7.890 -4.387 -0.293 1.00 0.82 H new ATOM 0 HB2 LYS A 39 -6.964 -6.027 -2.628 1.00 0.90 H new ATOM 0 HB3 LYS A 39 -8.467 -6.601 -1.932 1.00 0.90 H new ATOM 0 HG2 LYS A 39 -7.925 -3.796 -2.994 1.00 1.11 H new ATOM 0 HG3 LYS A 39 -8.906 -5.025 -3.767 1.00 1.11 H new ATOM 0 HD2 LYS A 39 -9.531 -3.563 -1.166 1.00 1.89 H new ATOM 0 HD3 LYS A 39 -10.363 -3.385 -2.698 1.00 1.89 H new ATOM 0 HE2 LYS A 39 -11.260 -5.656 -2.562 1.00 2.82 H new ATOM 0 HE3 LYS A 39 -10.263 -6.025 -1.169 1.00 2.82 H new ATOM 0 HZ1 LYS A 39 -12.415 -5.539 -0.389 1.00 3.70 H new ATOM 0 HZ2 LYS A 39 -11.457 -4.195 0.012 1.00 3.70 H new ATOM 0 HZ3 LYS A 39 -12.524 -4.114 -1.306 1.00 3.70 H new ATOM 650 N LYS A 40 -6.691 -6.893 1.121 1.00 0.78 N ATOM 651 CA LYS A 40 -6.790 -7.910 2.185 1.00 0.91 C ATOM 652 C LYS A 40 -6.687 -7.320 3.593 1.00 0.99 C ATOM 653 O LYS A 40 -7.408 -7.749 4.487 1.00 1.27 O ATOM 654 CB LYS A 40 -5.621 -8.899 2.015 1.00 0.96 C ATOM 655 CG LYS A 40 -5.857 -10.014 0.998 1.00 1.25 C ATOM 656 CD LYS A 40 -6.658 -11.134 1.652 1.00 1.39 C ATOM 657 CE LYS A 40 -6.700 -12.428 0.831 1.00 1.90 C ATOM 658 NZ LYS A 40 -7.516 -12.330 -0.403 1.00 2.07 N ATOM 0 H LYS A 40 -5.721 -6.647 0.925 1.00 0.78 H new ATOM 0 HA LYS A 40 -7.767 -8.384 2.088 1.00 0.91 H new ATOM 0 HB2 LYS A 40 -4.733 -8.340 1.719 1.00 0.96 H new ATOM 0 HB3 LYS A 40 -5.405 -9.351 2.983 1.00 0.96 H new ATOM 0 HG2 LYS A 40 -6.394 -9.625 0.133 1.00 1.25 H new ATOM 0 HG3 LYS A 40 -4.904 -10.398 0.635 1.00 1.25 H new ATOM 0 HD2 LYS A 40 -6.230 -11.350 2.631 1.00 1.39 H new ATOM 0 HD3 LYS A 40 -7.678 -10.788 1.819 1.00 1.39 H new ATOM 0 HE2 LYS A 40 -5.682 -12.708 0.560 1.00 1.90 H new ATOM 0 HE3 LYS A 40 -7.096 -13.230 1.454 1.00 1.90 H new ATOM 0 HZ1 LYS A 40 -7.781 -13.284 -0.721 1.00 2.07 H new ATOM 0 HZ2 LYS A 40 -8.376 -11.779 -0.208 1.00 2.07 H new ATOM 0 HZ3 LYS A 40 -6.964 -11.858 -1.147 1.00 2.07 H new ATOM 672 N GLU A 41 -5.744 -6.402 3.784 1.00 0.90 N ATOM 673 CA GLU A 41 -5.435 -5.731 5.062 1.00 1.01 C ATOM 674 C GLU A 41 -5.545 -4.194 4.962 1.00 1.12 C ATOM 675 O GLU A 41 -5.575 -3.500 5.984 1.00 1.46 O ATOM 676 CB GLU A 41 -4.051 -6.185 5.564 1.00 1.36 C ATOM 677 CG GLU A 41 -3.990 -7.721 5.640 1.00 2.57 C ATOM 678 CD GLU A 41 -2.878 -8.265 6.526 1.00 3.58 C ATOM 679 OE1 GLU A 41 -1.715 -7.823 6.431 1.00 3.99 O ATOM 680 OE2 GLU A 41 -3.147 -9.238 7.263 1.00 4.83 O ATOM 0 H GLU A 41 -5.142 -6.085 3.024 1.00 0.90 H new ATOM 0 HA GLU A 41 -6.184 -6.029 5.795 1.00 1.01 H new ATOM 0 HB2 GLU A 41 -3.274 -5.816 4.894 1.00 1.36 H new ATOM 0 HB3 GLU A 41 -3.854 -5.757 6.547 1.00 1.36 H new ATOM 0 HG2 GLU A 41 -4.946 -8.092 6.009 1.00 2.57 H new ATOM 0 HG3 GLU A 41 -3.862 -8.117 4.633 1.00 2.57 H new ATOM 687 N LEU A 42 -5.697 -3.671 3.738 1.00 1.14 N ATOM 688 CA LEU A 42 -6.362 -2.401 3.446 1.00 1.27 C ATOM 689 C LEU A 42 -7.630 -2.666 2.619 1.00 1.40 C ATOM 690 O LEU A 42 -7.899 -3.792 2.200 1.00 1.57 O ATOM 691 CB LEU A 42 -5.378 -1.419 2.772 1.00 1.38 C ATOM 692 CG LEU A 42 -5.180 -0.091 3.531 1.00 1.45 C ATOM 693 CD1 LEU A 42 -4.027 0.681 2.888 1.00 2.35 C ATOM 694 CD2 LEU A 42 -6.444 0.784 3.518 1.00 1.79 C ATOM 0 H LEU A 42 -5.349 -4.137 2.900 1.00 1.14 H new ATOM 0 HA LEU A 42 -6.680 -1.918 4.370 1.00 1.27 H new ATOM 0 HB2 LEU A 42 -4.411 -1.910 2.665 1.00 1.38 H new ATOM 0 HB3 LEU A 42 -5.736 -1.198 1.766 1.00 1.38 H new ATOM 0 HG LEU A 42 -4.958 -0.331 4.571 1.00 1.45 H new ATOM 0 HD11 LEU A 42 -3.879 1.622 3.418 1.00 2.35 H new ATOM 0 HD12 LEU A 42 -3.115 0.086 2.943 1.00 2.35 H new ATOM 0 HD13 LEU A 42 -4.264 0.886 1.844 1.00 2.35 H new ATOM 0 HD21 LEU A 42 -6.253 1.707 4.065 1.00 1.79 H new ATOM 0 HD22 LEU A 42 -6.712 1.021 2.488 1.00 1.79 H new ATOM 0 HD23 LEU A 42 -7.265 0.245 3.991 1.00 1.79 H new ATOM 706 N CYS A 43 -8.432 -1.623 2.427 1.00 2.00 N ATOM 707 CA CYS A 43 -9.761 -1.607 1.812 1.00 2.17 C ATOM 708 C CYS A 43 -10.116 -0.134 1.556 1.00 2.45 C ATOM 709 O CYS A 43 -9.799 0.701 2.403 1.00 3.47 O ATOM 710 CB CYS A 43 -10.754 -2.281 2.773 1.00 2.23 C ATOM 711 SG CYS A 43 -12.134 -3.026 1.876 1.00 2.78 S ATOM 0 H CYS A 43 -8.148 -0.688 2.721 1.00 2.00 H new ATOM 0 HA CYS A 43 -9.794 -2.153 0.869 1.00 2.17 H new ATOM 0 HB2 CYS A 43 -10.239 -3.047 3.353 1.00 2.23 H new ATOM 0 HB3 CYS A 43 -11.133 -1.545 3.482 1.00 2.23 H new ATOM 0 HG CYS A 43 -12.948 -3.586 2.720 1.00 2.78 H new ATOM 774 N LYS A 48 -14.147 5.224 -1.732 1.00 1.95 N ATOM 775 CA LYS A 48 -13.917 6.482 -2.448 1.00 2.38 C ATOM 776 C LYS A 48 -14.220 6.401 -3.968 1.00 2.88 C ATOM 777 O LYS A 48 -14.515 5.326 -4.471 1.00 3.24 O ATOM 778 CB LYS A 48 -12.530 7.004 -2.030 1.00 2.62 C ATOM 779 CG LYS A 48 -11.318 6.080 -2.149 1.00 2.55 C ATOM 780 CD LYS A 48 -11.088 5.525 -3.547 1.00 3.72 C ATOM 781 CE LYS A 48 -10.985 6.570 -4.669 1.00 4.40 C ATOM 782 NZ LYS A 48 -9.974 7.648 -4.533 1.00 5.35 N ATOM 0 HA LYS A 48 -14.644 7.240 -2.157 1.00 2.38 H new ATOM 0 HB2 LYS A 48 -12.323 7.895 -2.623 1.00 2.62 H new ATOM 0 HB3 LYS A 48 -12.599 7.322 -0.990 1.00 2.62 H new ATOM 0 HG2 LYS A 48 -10.428 6.626 -1.837 1.00 2.55 H new ATOM 0 HG3 LYS A 48 -11.441 5.248 -1.456 1.00 2.55 H new ATOM 0 HD2 LYS A 48 -10.171 4.936 -3.538 1.00 3.72 H new ATOM 0 HD3 LYS A 48 -11.903 4.842 -3.786 1.00 3.72 H new ATOM 0 HE2 LYS A 48 -10.783 6.040 -5.600 1.00 4.40 H new ATOM 0 HE3 LYS A 48 -11.962 7.041 -4.776 1.00 4.40 H new ATOM 0 HZ1 LYS A 48 -9.449 7.746 -5.425 1.00 5.35 H new ATOM 0 HZ2 LYS A 48 -10.451 8.545 -4.312 1.00 5.35 H new ATOM 0 HZ3 LYS A 48 -9.313 7.409 -3.767 1.00 5.35 H new ATOM 796 N GLU A 49 -14.143 7.523 -4.700 1.00 3.56 N ATOM 797 CA GLU A 49 -14.518 7.633 -6.128 1.00 4.29 C ATOM 798 C GLU A 49 -13.803 6.674 -7.114 1.00 3.35 C ATOM 799 O GLU A 49 -14.461 5.810 -7.681 1.00 3.91 O ATOM 800 CB GLU A 49 -14.490 9.086 -6.668 1.00 5.51 C ATOM 801 CG GLU A 49 -13.597 10.136 -5.987 1.00 6.49 C ATOM 802 CD GLU A 49 -12.240 9.594 -5.560 1.00 6.56 C ATOM 803 OE1 GLU A 49 -11.432 9.173 -6.412 1.00 6.67 O ATOM 804 OE2 GLU A 49 -12.079 9.415 -4.336 1.00 7.09 O ATOM 0 H GLU A 49 -13.810 8.405 -4.310 1.00 3.56 H new ATOM 0 HA GLU A 49 -15.552 7.288 -6.100 1.00 4.29 H new ATOM 0 HB2 GLU A 49 -14.194 9.038 -7.716 1.00 5.51 H new ATOM 0 HB3 GLU A 49 -15.513 9.462 -6.642 1.00 5.51 H new ATOM 0 HG2 GLU A 49 -13.447 10.972 -6.670 1.00 6.49 H new ATOM 0 HG3 GLU A 49 -14.114 10.529 -5.112 1.00 6.49 H new ATOM 811 N SER A 50 -12.516 6.847 -7.445 1.00 2.95 N ATOM 812 CA SER A 50 -11.887 6.203 -8.624 1.00 2.34 C ATOM 813 C SER A 50 -10.340 6.233 -8.605 1.00 1.92 C ATOM 814 O SER A 50 -9.717 6.510 -7.578 1.00 2.78 O ATOM 815 CB SER A 50 -12.439 6.877 -9.901 1.00 2.41 C ATOM 816 OG SER A 50 -13.779 6.493 -10.150 1.00 3.12 O ATOM 0 H SER A 50 -11.877 7.434 -6.910 1.00 2.95 H new ATOM 0 HA SER A 50 -12.147 5.145 -8.601 1.00 2.34 H new ATOM 0 HB2 SER A 50 -12.383 7.960 -9.796 1.00 2.41 H new ATOM 0 HB3 SER A 50 -11.817 6.607 -10.755 1.00 2.41 H new ATOM 0 HG SER A 50 -14.084 5.891 -9.440 1.00 3.12 H new ATOM 822 N SER A 51 -9.687 5.883 -9.725 1.00 1.66 N ATOM 823 CA SER A 51 -8.253 6.126 -10.028 1.00 1.83 C ATOM 824 C SER A 51 -7.287 5.147 -9.333 1.00 1.67 C ATOM 825 O SER A 51 -6.350 4.676 -9.969 1.00 2.09 O ATOM 826 CB SER A 51 -7.854 7.586 -9.712 1.00 2.36 C ATOM 827 OG SER A 51 -8.780 8.513 -10.271 1.00 3.06 O ATOM 0 H SER A 51 -10.162 5.398 -10.487 1.00 1.66 H new ATOM 0 HA SER A 51 -8.153 5.945 -11.098 1.00 1.83 H new ATOM 0 HB2 SER A 51 -7.805 7.725 -8.632 1.00 2.36 H new ATOM 0 HB3 SER A 51 -6.857 7.785 -10.104 1.00 2.36 H new ATOM 0 HG SER A 51 -8.501 9.427 -10.052 1.00 3.06 H new ATOM 833 N ILE A 52 -7.554 4.757 -8.079 1.00 1.47 N ATOM 834 CA ILE A 52 -6.910 3.599 -7.419 1.00 1.36 C ATOM 835 C ILE A 52 -7.014 2.311 -8.243 1.00 1.05 C ATOM 836 O ILE A 52 -6.114 1.479 -8.203 1.00 1.05 O ATOM 837 CB ILE A 52 -7.444 3.424 -5.970 1.00 1.60 C ATOM 838 CG1 ILE A 52 -6.935 2.148 -5.255 1.00 2.72 C ATOM 839 CG2 ILE A 52 -8.973 3.530 -5.851 1.00 2.05 C ATOM 840 CD1 ILE A 52 -7.780 0.867 -5.380 1.00 2.14 C ATOM 0 H ILE A 52 -8.229 5.237 -7.484 1.00 1.47 H new ATOM 0 HA ILE A 52 -5.843 3.814 -7.355 1.00 1.36 H new ATOM 0 HB ILE A 52 -7.015 4.279 -5.447 1.00 1.60 H new ATOM 0 HG12 ILE A 52 -5.937 1.928 -5.633 1.00 2.72 H new ATOM 0 HG13 ILE A 52 -6.831 2.378 -4.195 1.00 2.72 H new ATOM 0 HG21 ILE A 52 -9.267 3.397 -4.810 1.00 2.05 H new ATOM 0 HG22 ILE A 52 -9.298 4.511 -6.197 1.00 2.05 H new ATOM 0 HG23 ILE A 52 -9.440 2.757 -6.461 1.00 2.05 H new ATOM 0 HD11 ILE A 52 -7.299 0.059 -4.829 1.00 2.14 H new ATOM 0 HD12 ILE A 52 -8.774 1.045 -4.970 1.00 2.14 H new ATOM 0 HD13 ILE A 52 -7.866 0.589 -6.430 1.00 2.14 H new ATOM 852 N ASP A 53 -8.085 2.177 -9.015 1.00 0.99 N ATOM 853 CA ASP A 53 -8.344 1.031 -9.870 1.00 0.99 C ATOM 854 C ASP A 53 -7.286 0.862 -10.982 1.00 0.92 C ATOM 855 O ASP A 53 -6.833 -0.261 -11.190 1.00 1.02 O ATOM 856 CB ASP A 53 -9.778 1.160 -10.403 1.00 1.39 C ATOM 857 CG ASP A 53 -10.153 -0.067 -11.230 1.00 2.11 C ATOM 858 OD1 ASP A 53 -10.164 -1.191 -10.673 1.00 2.52 O ATOM 859 OD2 ASP A 53 -10.362 0.066 -12.457 1.00 3.15 O ATOM 0 H ASP A 53 -8.818 2.885 -9.063 1.00 0.99 H new ATOM 0 HA ASP A 53 -8.259 0.111 -9.292 1.00 0.99 H new ATOM 0 HB2 ASP A 53 -10.473 1.271 -9.571 1.00 1.39 H new ATOM 0 HB3 ASP A 53 -9.866 2.058 -11.014 1.00 1.39 H new ATOM 864 N ASP A 54 -6.803 1.936 -11.628 1.00 1.04 N ATOM 865 CA ASP A 54 -5.686 1.800 -12.590 1.00 1.27 C ATOM 866 C ASP A 54 -4.332 1.658 -11.887 1.00 1.03 C ATOM 867 O ASP A 54 -3.426 1.016 -12.419 1.00 1.06 O ATOM 868 CB ASP A 54 -5.620 2.939 -13.616 1.00 1.82 C ATOM 869 CG ASP A 54 -4.631 2.620 -14.774 1.00 2.32 C ATOM 870 OD1 ASP A 54 -4.449 1.429 -15.152 1.00 3.37 O ATOM 871 OD2 ASP A 54 -3.993 3.576 -15.265 1.00 2.42 O ATOM 0 H ASP A 54 -7.154 2.886 -11.510 1.00 1.04 H new ATOM 0 HA ASP A 54 -5.899 0.881 -13.135 1.00 1.27 H new ATOM 0 HB2 ASP A 54 -6.614 3.116 -14.026 1.00 1.82 H new ATOM 0 HB3 ASP A 54 -5.312 3.859 -13.118 1.00 1.82 H new ATOM 876 N LEU A 55 -4.193 2.186 -10.665 1.00 0.90 N ATOM 877 CA LEU A 55 -3.019 1.883 -9.836 1.00 0.82 C ATOM 878 C LEU A 55 -2.961 0.375 -9.561 1.00 0.78 C ATOM 879 O LEU A 55 -1.923 -0.241 -9.793 1.00 0.85 O ATOM 880 CB LEU A 55 -2.989 2.763 -8.569 1.00 0.78 C ATOM 881 CG LEU A 55 -2.969 4.273 -8.874 1.00 1.00 C ATOM 882 CD1 LEU A 55 -3.068 5.097 -7.584 1.00 1.19 C ATOM 883 CD2 LEU A 55 -1.711 4.702 -9.649 1.00 1.13 C ATOM 0 H LEU A 55 -4.868 2.816 -10.232 1.00 0.90 H new ATOM 0 HA LEU A 55 -2.105 2.137 -10.373 1.00 0.82 H new ATOM 0 HB2 LEU A 55 -3.861 2.535 -7.956 1.00 0.78 H new ATOM 0 HB3 LEU A 55 -2.109 2.507 -7.979 1.00 0.78 H new ATOM 0 HG LEU A 55 -3.838 4.466 -9.503 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -3.052 6.159 -7.829 1.00 1.19 H new ATOM 0 HD12 LEU A 55 -3.999 4.857 -7.070 1.00 1.19 H new ATOM 0 HD13 LEU A 55 -2.224 4.861 -6.936 1.00 1.19 H new ATOM 0 HD21 LEU A 55 -1.748 5.775 -9.838 1.00 1.13 H new ATOM 0 HD22 LEU A 55 -0.824 4.467 -9.061 1.00 1.13 H new ATOM 0 HD23 LEU A 55 -1.669 4.168 -10.598 1.00 1.13 H new ATOM 895 N MET A 56 -4.083 -0.257 -9.196 1.00 0.76 N ATOM 896 CA MET A 56 -4.162 -1.722 -9.101 1.00 0.84 C ATOM 897 C MET A 56 -3.910 -2.413 -10.442 1.00 0.92 C ATOM 898 O MET A 56 -3.126 -3.368 -10.467 1.00 1.04 O ATOM 899 CB MET A 56 -5.493 -2.200 -8.510 1.00 0.96 C ATOM 900 CG MET A 56 -5.686 -1.731 -7.067 1.00 1.04 C ATOM 901 SD MET A 56 -6.792 -2.809 -6.118 1.00 2.03 S ATOM 902 CE MET A 56 -5.587 -3.654 -5.064 1.00 1.64 C ATOM 0 H MET A 56 -4.951 0.224 -8.961 1.00 0.76 H new ATOM 0 HA MET A 56 -3.363 -2.008 -8.417 1.00 0.84 H new ATOM 0 HB2 MET A 56 -6.315 -1.830 -9.123 1.00 0.96 H new ATOM 0 HB3 MET A 56 -5.534 -3.289 -8.545 1.00 0.96 H new ATOM 0 HG2 MET A 56 -4.716 -1.687 -6.572 1.00 1.04 H new ATOM 0 HG3 MET A 56 -6.088 -0.718 -7.070 1.00 1.04 H new ATOM 0 HE1 MET A 56 -5.657 -4.730 -5.222 1.00 1.64 H new ATOM 0 HE2 MET A 56 -4.582 -3.315 -5.316 1.00 1.64 H new ATOM 0 HE3 MET A 56 -5.795 -3.426 -4.019 1.00 1.64 H new ATOM 912 N LYS A 57 -4.456 -1.918 -11.563 1.00 0.94 N ATOM 913 CA LYS A 57 -4.092 -2.475 -12.874 1.00 1.10 C ATOM 914 C LYS A 57 -2.596 -2.315 -13.158 1.00 1.20 C ATOM 915 O LYS A 57 -2.011 -3.155 -13.817 1.00 1.43 O ATOM 916 CB LYS A 57 -4.913 -1.907 -14.046 1.00 1.27 C ATOM 917 CG LYS A 57 -6.217 -2.666 -14.325 1.00 1.73 C ATOM 918 CD LYS A 57 -7.318 -2.305 -13.333 1.00 3.01 C ATOM 919 CE LYS A 57 -8.597 -3.073 -13.676 1.00 3.78 C ATOM 920 NZ LYS A 57 -9.764 -2.533 -12.947 1.00 4.94 N ATOM 0 H LYS A 57 -5.132 -1.155 -11.591 1.00 0.94 H new ATOM 0 HA LYS A 57 -4.336 -3.535 -12.806 1.00 1.10 H new ATOM 0 HB2 LYS A 57 -5.150 -0.864 -13.837 1.00 1.27 H new ATOM 0 HB3 LYS A 57 -4.298 -1.920 -14.946 1.00 1.27 H new ATOM 0 HG2 LYS A 57 -6.555 -2.444 -15.337 1.00 1.73 H new ATOM 0 HG3 LYS A 57 -6.028 -3.739 -14.280 1.00 1.73 H new ATOM 0 HD2 LYS A 57 -6.999 -2.545 -12.319 1.00 3.01 H new ATOM 0 HD3 LYS A 57 -7.508 -1.232 -13.361 1.00 3.01 H new ATOM 0 HE2 LYS A 57 -8.779 -3.018 -14.749 1.00 3.78 H new ATOM 0 HE3 LYS A 57 -8.468 -4.127 -13.429 1.00 3.78 H new ATOM 0 HZ1 LYS A 57 -10.588 -3.146 -13.109 1.00 4.94 H new ATOM 0 HZ2 LYS A 57 -9.552 -2.499 -11.929 1.00 4.94 H new ATOM 0 HZ3 LYS A 57 -9.974 -1.574 -13.289 1.00 4.94 H new ATOM 934 N SER A 58 -1.938 -1.273 -12.663 1.00 1.12 N ATOM 935 CA SER A 58 -0.471 -1.080 -12.722 1.00 1.30 C ATOM 936 C SER A 58 0.349 -2.030 -11.824 1.00 1.38 C ATOM 937 O SER A 58 1.584 -1.989 -11.837 1.00 1.66 O ATOM 938 CB SER A 58 -0.115 0.394 -12.497 1.00 1.29 C ATOM 939 OG SER A 58 -0.571 1.140 -13.617 1.00 1.73 O ATOM 0 H SER A 58 -2.416 -0.506 -12.191 1.00 1.12 H new ATOM 0 HA SER A 58 -0.173 -1.363 -13.731 1.00 1.30 H new ATOM 0 HB2 SER A 58 -0.579 0.761 -11.582 1.00 1.29 H new ATOM 0 HB3 SER A 58 0.962 0.510 -12.377 1.00 1.29 H new ATOM 0 HG SER A 58 -1.524 1.343 -13.509 1.00 1.73 H new ATOM 945 N LEU A 59 -0.317 -2.931 -11.090 1.00 1.42 N ATOM 946 CA LEU A 59 0.299 -4.078 -10.420 1.00 1.52 C ATOM 947 C LEU A 59 -0.077 -5.381 -11.151 1.00 1.69 C ATOM 948 O LEU A 59 0.795 -6.210 -11.410 1.00 1.90 O ATOM 949 CB LEU A 59 -0.113 -4.061 -8.934 1.00 1.36 C ATOM 950 CG LEU A 59 0.380 -2.829 -8.137 1.00 1.23 C ATOM 951 CD1 LEU A 59 -0.133 -2.885 -6.689 1.00 1.18 C ATOM 952 CD2 LEU A 59 1.910 -2.721 -8.101 1.00 1.58 C ATOM 0 H LEU A 59 -1.325 -2.879 -10.944 1.00 1.42 H new ATOM 0 HA LEU A 59 1.387 -4.018 -10.457 1.00 1.52 H new ATOM 0 HB2 LEU A 59 -1.200 -4.104 -8.873 1.00 1.36 H new ATOM 0 HB3 LEU A 59 0.269 -4.962 -8.455 1.00 1.36 H new ATOM 0 HG LEU A 59 -0.016 -1.955 -8.654 1.00 1.23 H new ATOM 0 HD11 LEU A 59 0.223 -2.011 -6.143 1.00 1.18 H new ATOM 0 HD12 LEU A 59 -1.223 -2.894 -6.689 1.00 1.18 H new ATOM 0 HD13 LEU A 59 0.237 -3.790 -6.207 1.00 1.18 H new ATOM 0 HD21 LEU A 59 2.199 -1.839 -7.529 1.00 1.58 H new ATOM 0 HD22 LEU A 59 2.327 -3.611 -7.630 1.00 1.58 H new ATOM 0 HD23 LEU A 59 2.293 -2.635 -9.118 1.00 1.58 H new ATOM 964 N ASP A 60 -1.338 -5.504 -11.589 1.00 1.62 N ATOM 965 CA ASP A 60 -1.849 -6.594 -12.438 1.00 1.73 C ATOM 966 C ASP A 60 -1.123 -6.722 -13.792 1.00 1.77 C ATOM 967 O ASP A 60 -0.841 -7.829 -14.236 1.00 1.93 O ATOM 968 CB ASP A 60 -3.330 -6.342 -12.775 1.00 1.65 C ATOM 969 CG ASP A 60 -4.334 -6.511 -11.634 1.00 2.49 C ATOM 970 OD1 ASP A 60 -4.426 -7.610 -11.039 1.00 2.99 O ATOM 971 OD2 ASP A 60 -5.064 -5.535 -11.339 1.00 3.81 O ATOM 0 H ASP A 60 -2.059 -4.822 -11.354 1.00 1.62 H new ATOM 0 HA ASP A 60 -1.689 -7.504 -11.860 1.00 1.73 H new ATOM 0 HB2 ASP A 60 -3.423 -5.327 -13.162 1.00 1.65 H new ATOM 0 HB3 ASP A 60 -3.615 -7.018 -13.581 1.00 1.65 H new ATOM 976 N LYS A 61 -0.844 -5.595 -14.467 1.00 1.81 N ATOM 977 CA LYS A 61 -0.435 -5.557 -15.883 1.00 2.10 C ATOM 978 C LYS A 61 0.924 -6.217 -16.191 1.00 1.93 C ATOM 979 O LYS A 61 1.231 -6.447 -17.357 1.00 2.01 O ATOM 980 CB LYS A 61 -0.707 -4.204 -16.526 1.00 2.62 C ATOM 981 CG LYS A 61 0.096 -2.974 -16.109 1.00 2.14 C ATOM 982 CD LYS A 61 -0.551 -1.779 -16.837 1.00 2.21 C ATOM 983 CE LYS A 61 -1.978 -1.359 -16.396 1.00 3.32 C ATOM 984 NZ LYS A 61 -2.106 0.003 -15.781 1.00 4.33 N ATOM 0 H LYS A 61 -0.897 -4.671 -14.039 1.00 1.81 H new ATOM 0 HA LYS A 61 -1.101 -6.238 -16.413 1.00 2.10 H new ATOM 0 HB2 LYS A 61 -0.574 -4.326 -17.601 1.00 2.62 H new ATOM 0 HB3 LYS A 61 -1.759 -3.974 -16.359 1.00 2.62 H new ATOM 0 HG2 LYS A 61 0.065 -2.836 -15.028 1.00 2.14 H new ATOM 0 HG3 LYS A 61 1.145 -3.080 -16.387 1.00 2.14 H new ATOM 0 HD2 LYS A 61 0.105 -0.917 -16.718 1.00 2.21 H new ATOM 0 HD3 LYS A 61 -0.582 -2.011 -17.902 1.00 2.21 H new ATOM 0 HE2 LYS A 61 -2.633 -1.405 -17.266 1.00 3.32 H new ATOM 0 HE3 LYS A 61 -2.346 -2.094 -15.680 1.00 3.32 H new ATOM 0 HZ1 LYS A 61 -3.096 0.170 -15.510 1.00 4.33 H new ATOM 0 HZ2 LYS A 61 -1.502 0.061 -14.937 1.00 4.33 H new ATOM 0 HZ3 LYS A 61 -1.809 0.724 -16.469 1.00 4.33 H new ATOM 998 N ASN A 62 1.689 -6.564 -15.144 1.00 1.88 N ATOM 999 CA ASN A 62 2.868 -7.438 -15.215 1.00 1.99 C ATOM 1000 C ASN A 62 2.687 -8.664 -14.279 1.00 2.20 C ATOM 1001 O ASN A 62 2.762 -9.810 -14.708 1.00 3.20 O ATOM 1002 CB ASN A 62 4.135 -6.630 -14.839 1.00 2.10 C ATOM 1003 CG ASN A 62 4.418 -5.364 -15.662 1.00 2.10 C ATOM 1004 OD1 ASN A 62 3.695 -4.962 -16.563 1.00 2.77 O ATOM 1005 ND2 ASN A 62 5.471 -4.637 -15.345 1.00 2.61 N ATOM 0 H ASN A 62 1.498 -6.234 -14.198 1.00 1.88 H new ATOM 0 HA ASN A 62 2.983 -7.810 -16.233 1.00 1.99 H new ATOM 0 HB2 ASN A 62 4.056 -6.343 -13.790 1.00 2.10 H new ATOM 0 HB3 ASN A 62 4.997 -7.291 -14.925 1.00 2.10 H new ATOM 0 HD21 ASN A 62 5.661 -3.769 -15.846 1.00 2.61 H new ATOM 0 HD22 ASN A 62 6.096 -4.942 -14.599 1.00 2.61 H new ATOM 1012 N SER A 63 2.395 -8.411 -12.996 1.00 1.65 N ATOM 1013 CA SER A 63 2.034 -9.340 -11.899 1.00 1.63 C ATOM 1014 C SER A 63 3.176 -10.191 -11.300 1.00 1.45 C ATOM 1015 O SER A 63 3.141 -10.487 -10.106 1.00 1.59 O ATOM 1016 CB SER A 63 0.834 -10.240 -12.249 1.00 1.91 C ATOM 1017 OG SER A 63 1.170 -11.312 -13.113 1.00 2.74 O ATOM 0 H SER A 63 2.405 -7.449 -12.658 1.00 1.65 H new ATOM 0 HA SER A 63 1.756 -8.645 -11.107 1.00 1.63 H new ATOM 0 HB2 SER A 63 0.411 -10.643 -11.329 1.00 1.91 H new ATOM 0 HB3 SER A 63 0.059 -9.634 -12.718 1.00 1.91 H new ATOM 0 HG SER A 63 1.667 -10.967 -13.884 1.00 2.74 H new ATOM 1023 N ASP A 64 4.203 -10.563 -12.061 1.00 1.30 N ATOM 1024 CA ASP A 64 5.144 -11.643 -11.736 1.00 1.29 C ATOM 1025 C ASP A 64 6.323 -11.118 -10.918 1.00 1.41 C ATOM 1026 O ASP A 64 6.814 -11.750 -9.983 1.00 2.32 O ATOM 1027 CB ASP A 64 5.648 -12.233 -13.074 1.00 1.46 C ATOM 1028 CG ASP A 64 6.399 -11.203 -13.936 1.00 3.37 C ATOM 1029 OD1 ASP A 64 5.793 -10.147 -14.240 1.00 4.12 O ATOM 1030 OD2 ASP A 64 7.613 -11.388 -14.163 1.00 4.97 O ATOM 0 H ASP A 64 4.414 -10.109 -12.950 1.00 1.30 H new ATOM 0 HA ASP A 64 4.646 -12.404 -11.135 1.00 1.29 H new ATOM 0 HB2 ASP A 64 6.307 -13.077 -12.868 1.00 1.46 H new ATOM 0 HB3 ASP A 64 4.799 -12.621 -13.637 1.00 1.46 H new ATOM 1035 N GLN A 65 6.740 -9.919 -11.299 1.00 1.09 N ATOM 1036 CA GLN A 65 7.953 -9.248 -10.895 1.00 1.06 C ATOM 1037 C GLN A 65 7.910 -8.790 -9.451 1.00 0.89 C ATOM 1038 O GLN A 65 6.864 -8.341 -8.972 1.00 0.79 O ATOM 1039 CB GLN A 65 8.193 -8.004 -11.760 1.00 1.14 C ATOM 1040 CG GLN A 65 7.364 -7.859 -13.037 1.00 1.62 C ATOM 1041 CD GLN A 65 7.615 -6.542 -13.735 1.00 1.97 C ATOM 1042 OE1 GLN A 65 7.269 -5.473 -13.256 1.00 2.46 O ATOM 1043 NE2 GLN A 65 8.187 -6.558 -14.912 1.00 2.83 N ATOM 0 H GLN A 65 6.193 -9.353 -11.948 1.00 1.09 H new ATOM 0 HA GLN A 65 8.754 -9.977 -11.018 1.00 1.06 H new ATOM 0 HB2 GLN A 65 8.013 -7.125 -11.141 1.00 1.14 H new ATOM 0 HB3 GLN A 65 9.246 -7.987 -12.040 1.00 1.14 H new ATOM 0 HG2 GLN A 65 7.600 -8.679 -13.716 1.00 1.62 H new ATOM 0 HG3 GLN A 65 6.305 -7.942 -12.792 1.00 1.62 H new ATOM 0 HE21 GLN A 65 8.481 -7.443 -15.324 1.00 2.83 H new ATOM 0 HE22 GLN A 65 8.339 -5.685 -15.417 1.00 2.83 H new ATOM 1052 N GLU A 66 9.079 -8.807 -8.814 1.00 0.96 N ATOM 1053 CA GLU A 66 9.247 -8.376 -7.436 1.00 0.89 C ATOM 1054 C GLU A 66 9.255 -6.850 -7.262 1.00 0.86 C ATOM 1055 O GLU A 66 9.764 -6.103 -8.099 1.00 0.94 O ATOM 1056 CB GLU A 66 10.523 -8.987 -6.822 1.00 0.97 C ATOM 1057 CG GLU A 66 10.331 -10.407 -6.268 1.00 1.19 C ATOM 1058 CD GLU A 66 11.661 -10.988 -5.773 1.00 1.52 C ATOM 1059 OE1 GLU A 66 12.491 -11.320 -6.641 1.00 2.27 O ATOM 1060 OE2 GLU A 66 11.866 -11.057 -4.534 1.00 2.46 O ATOM 0 H GLU A 66 9.945 -9.125 -9.250 1.00 0.96 H new ATOM 0 HA GLU A 66 8.371 -8.744 -6.902 1.00 0.89 H new ATOM 0 HB2 GLU A 66 11.306 -9.007 -7.581 1.00 0.97 H new ATOM 0 HB3 GLU A 66 10.874 -8.339 -6.019 1.00 0.97 H new ATOM 0 HG2 GLU A 66 9.611 -10.388 -5.450 1.00 1.19 H new ATOM 0 HG3 GLU A 66 9.915 -11.051 -7.043 1.00 1.19 H new ATOM 1067 N ILE A 67 8.697 -6.393 -6.140 1.00 0.81 N ATOM 1068 CA ILE A 67 8.688 -5.004 -5.679 1.00 0.79 C ATOM 1069 C ILE A 67 9.394 -4.890 -4.325 1.00 0.71 C ATOM 1070 O ILE A 67 9.134 -5.700 -3.442 1.00 0.67 O ATOM 1071 CB ILE A 67 7.220 -4.512 -5.579 1.00 0.89 C ATOM 1072 CG1 ILE A 67 6.710 -4.169 -6.996 1.00 1.70 C ATOM 1073 CG2 ILE A 67 7.095 -3.313 -4.624 1.00 2.00 C ATOM 1074 CD1 ILE A 67 5.268 -3.651 -7.039 1.00 2.02 C ATOM 0 H ILE A 67 8.213 -7.016 -5.493 1.00 0.81 H new ATOM 0 HA ILE A 67 9.226 -4.378 -6.391 1.00 0.79 H new ATOM 0 HB ILE A 67 6.600 -5.305 -5.161 1.00 0.89 H new ATOM 0 HG12 ILE A 67 7.367 -3.417 -7.434 1.00 1.70 H new ATOM 0 HG13 ILE A 67 6.783 -5.059 -7.621 1.00 1.70 H new ATOM 0 HG21 ILE A 67 6.054 -2.993 -4.576 1.00 2.00 H new ATOM 0 HG22 ILE A 67 7.431 -3.604 -3.629 1.00 2.00 H new ATOM 0 HG23 ILE A 67 7.711 -2.491 -4.989 1.00 2.00 H new ATOM 0 HD11 ILE A 67 4.990 -3.434 -8.070 1.00 2.02 H new ATOM 0 HD12 ILE A 67 4.597 -4.408 -6.634 1.00 2.02 H new ATOM 0 HD13 ILE A 67 5.190 -2.741 -6.444 1.00 2.02 H new ATOM 1086 N ASP A 68 10.183 -3.827 -4.138 1.00 0.83 N ATOM 1087 CA ASP A 68 10.670 -3.338 -2.839 1.00 0.79 C ATOM 1088 C ASP A 68 9.703 -2.308 -2.215 1.00 0.84 C ATOM 1089 O ASP A 68 8.982 -1.580 -2.910 1.00 1.24 O ATOM 1090 CB ASP A 68 12.102 -2.776 -3.034 1.00 1.02 C ATOM 1091 CG ASP A 68 12.545 -1.721 -2.006 1.00 1.38 C ATOM 1092 OD1 ASP A 68 12.053 -0.576 -2.086 1.00 1.78 O ATOM 1093 OD2 ASP A 68 13.401 -1.959 -1.126 1.00 2.91 O ATOM 0 H ASP A 68 10.515 -3.259 -4.918 1.00 0.83 H new ATOM 0 HA ASP A 68 10.710 -4.161 -2.125 1.00 0.79 H new ATOM 0 HB2 ASP A 68 12.807 -3.607 -3.003 1.00 1.02 H new ATOM 0 HB3 ASP A 68 12.169 -2.338 -4.030 1.00 1.02 H new ATOM 1098 N PHE A 69 9.763 -2.204 -0.883 1.00 0.70 N ATOM 1099 CA PHE A 69 9.081 -1.242 -0.012 1.00 0.76 C ATOM 1100 C PHE A 69 8.837 0.181 -0.559 1.00 0.83 C ATOM 1101 O PHE A 69 7.933 0.857 -0.070 1.00 0.86 O ATOM 1102 CB PHE A 69 9.923 -1.116 1.266 1.00 0.90 C ATOM 1103 CG PHE A 69 9.572 -2.112 2.346 1.00 1.39 C ATOM 1104 CD1 PHE A 69 8.466 -1.853 3.175 1.00 1.88 C ATOM 1105 CD2 PHE A 69 10.364 -3.256 2.558 1.00 3.11 C ATOM 1106 CE1 PHE A 69 8.154 -2.729 4.225 1.00 2.87 C ATOM 1107 CE2 PHE A 69 10.058 -4.126 3.617 1.00 4.16 C ATOM 1108 CZ PHE A 69 8.961 -3.859 4.453 1.00 3.77 C ATOM 0 H PHE A 69 10.340 -2.847 -0.340 1.00 0.70 H new ATOM 0 HA PHE A 69 8.079 -1.649 0.124 1.00 0.76 H new ATOM 0 HB2 PHE A 69 10.975 -1.236 1.007 1.00 0.90 H new ATOM 0 HB3 PHE A 69 9.806 -0.109 1.666 1.00 0.90 H new ATOM 0 HD1 PHE A 69 7.856 -0.978 3.003 1.00 1.88 H new ATOM 0 HD2 PHE A 69 11.202 -3.464 1.910 1.00 3.11 H new ATOM 0 HE1 PHE A 69 7.298 -2.537 4.856 1.00 2.87 H new ATOM 0 HE2 PHE A 69 10.667 -5.001 3.789 1.00 4.16 H new ATOM 0 HZ PHE A 69 8.736 -4.524 5.274 1.00 3.77 H new ATOM 1118 N LYS A 70 9.625 0.692 -1.510 1.00 0.86 N ATOM 1119 CA LYS A 70 9.449 2.023 -2.080 1.00 0.93 C ATOM 1120 C LYS A 70 8.161 2.111 -2.901 1.00 0.84 C ATOM 1121 O LYS A 70 7.371 3.023 -2.628 1.00 0.78 O ATOM 1122 CB LYS A 70 10.644 2.374 -2.969 1.00 1.11 C ATOM 1123 CG LYS A 70 11.763 3.199 -2.299 1.00 1.31 C ATOM 1124 CD LYS A 70 12.918 2.380 -1.699 1.00 2.33 C ATOM 1125 CE LYS A 70 12.576 1.733 -0.347 1.00 3.82 C ATOM 1126 NZ LYS A 70 13.524 0.641 -0.017 1.00 4.70 N ATOM 0 H LYS A 70 10.413 0.182 -1.908 1.00 0.86 H new ATOM 0 HA LYS A 70 9.381 2.733 -1.256 1.00 0.93 H new ATOM 0 HB2 LYS A 70 11.078 1.447 -3.344 1.00 1.11 H new ATOM 0 HB3 LYS A 70 10.279 2.928 -3.834 1.00 1.11 H new ATOM 0 HG2 LYS A 70 12.174 3.888 -3.037 1.00 1.31 H new ATOM 0 HG3 LYS A 70 11.321 3.805 -1.508 1.00 1.31 H new ATOM 0 HD2 LYS A 70 13.203 1.599 -2.404 1.00 2.33 H new ATOM 0 HD3 LYS A 70 13.785 3.028 -1.573 1.00 2.33 H new ATOM 0 HE2 LYS A 70 12.602 2.489 0.437 1.00 3.82 H new ATOM 0 HE3 LYS A 70 11.560 1.339 -0.377 1.00 3.82 H new ATOM 0 HZ1 LYS A 70 13.597 0.545 1.016 1.00 4.70 H new ATOM 0 HZ2 LYS A 70 13.180 -0.252 -0.424 1.00 4.70 H new ATOM 0 HZ3 LYS A 70 14.460 0.863 -0.411 1.00 4.70 H new ATOM 1140 N GLU A 71 7.939 1.189 -3.855 1.00 0.85 N ATOM 1141 CA GLU A 71 6.695 1.195 -4.640 1.00 0.77 C ATOM 1142 C GLU A 71 5.502 1.018 -3.697 1.00 0.63 C ATOM 1143 O GLU A 71 4.491 1.698 -3.824 1.00 0.64 O ATOM 1144 CB GLU A 71 6.613 0.138 -5.757 1.00 0.99 C ATOM 1145 CG GLU A 71 7.743 0.151 -6.796 1.00 1.18 C ATOM 1146 CD GLU A 71 7.185 -0.068 -8.213 1.00 1.86 C ATOM 1147 OE1 GLU A 71 6.615 0.896 -8.765 1.00 2.36 O ATOM 1148 OE2 GLU A 71 7.260 -1.206 -8.727 1.00 2.82 O ATOM 0 H GLU A 71 8.592 0.444 -4.097 1.00 0.85 H new ATOM 0 HA GLU A 71 6.679 2.159 -5.148 1.00 0.77 H new ATOM 0 HB2 GLU A 71 6.588 -0.848 -5.293 1.00 0.99 H new ATOM 0 HB3 GLU A 71 5.666 0.268 -6.281 1.00 0.99 H new ATOM 0 HG2 GLU A 71 8.273 1.103 -6.752 1.00 1.18 H new ATOM 0 HG3 GLU A 71 8.468 -0.628 -6.561 1.00 1.18 H new ATOM 1155 N TYR A 72 5.675 0.198 -2.654 1.00 0.60 N ATOM 1156 CA TYR A 72 4.641 -0.022 -1.627 1.00 0.51 C ATOM 1157 C TYR A 72 4.321 1.262 -0.847 1.00 0.50 C ATOM 1158 O TYR A 72 3.163 1.632 -0.684 1.00 0.45 O ATOM 1159 CB TYR A 72 5.107 -1.130 -0.675 1.00 0.51 C ATOM 1160 CG TYR A 72 4.219 -1.401 0.530 1.00 0.53 C ATOM 1161 CD1 TYR A 72 2.875 -1.784 0.354 1.00 1.85 C ATOM 1162 CD2 TYR A 72 4.766 -1.386 1.831 1.00 1.40 C ATOM 1163 CE1 TYR A 72 2.128 -2.273 1.442 1.00 2.00 C ATOM 1164 CE2 TYR A 72 4.015 -1.846 2.929 1.00 1.34 C ATOM 1165 CZ TYR A 72 2.704 -2.339 2.730 1.00 0.83 C ATOM 1166 OH TYR A 72 1.982 -2.870 3.756 1.00 1.06 O ATOM 0 H TYR A 72 6.532 -0.332 -2.495 1.00 0.60 H new ATOM 0 HA TYR A 72 3.720 -0.325 -2.126 1.00 0.51 H new ATOM 0 HB2 TYR A 72 5.201 -2.054 -1.245 1.00 0.51 H new ATOM 0 HB3 TYR A 72 6.104 -0.875 -0.315 1.00 0.51 H new ATOM 0 HD1 TYR A 72 2.416 -1.702 -0.620 1.00 1.85 H new ATOM 0 HD2 TYR A 72 5.770 -1.018 1.985 1.00 1.40 H new ATOM 0 HE1 TYR A 72 1.110 -2.599 1.291 1.00 2.00 H new ATOM 0 HE2 TYR A 72 4.439 -1.823 3.922 1.00 1.34 H new ATOM 0 HH TYR A 72 2.515 -2.846 4.578 1.00 1.06 H new ATOM 1176 N SER A 73 5.353 1.976 -0.411 1.00 0.61 N ATOM 1177 CA SER A 73 5.214 3.245 0.292 1.00 0.70 C ATOM 1178 C SER A 73 4.605 4.342 -0.579 1.00 0.67 C ATOM 1179 O SER A 73 3.662 4.992 -0.116 1.00 0.66 O ATOM 1180 CB SER A 73 6.583 3.667 0.813 1.00 0.96 C ATOM 1181 OG SER A 73 6.533 4.981 1.319 1.00 1.48 O ATOM 0 H SER A 73 6.322 1.685 -0.538 1.00 0.61 H new ATOM 0 HA SER A 73 4.521 3.100 1.121 1.00 0.70 H new ATOM 0 HB2 SER A 73 6.908 2.981 1.595 1.00 0.96 H new ATOM 0 HB3 SER A 73 7.319 3.607 0.011 1.00 0.96 H new ATOM 0 HG SER A 73 7.097 5.046 2.117 1.00 1.48 H new ATOM 1187 N VAL A 74 5.055 4.536 -1.829 1.00 0.68 N ATOM 1188 CA VAL A 74 4.412 5.519 -2.708 1.00 0.66 C ATOM 1189 C VAL A 74 2.986 5.108 -3.045 1.00 0.56 C ATOM 1190 O VAL A 74 2.162 5.994 -3.125 1.00 0.55 O ATOM 1191 CB VAL A 74 5.151 5.859 -4.017 1.00 0.79 C ATOM 1192 CG1 VAL A 74 6.499 6.525 -3.741 1.00 0.96 C ATOM 1193 CG2 VAL A 74 5.336 4.699 -4.993 1.00 0.80 C ATOM 0 H VAL A 74 5.842 4.038 -2.244 1.00 0.68 H new ATOM 0 HA VAL A 74 4.436 6.430 -2.111 1.00 0.66 H new ATOM 0 HB VAL A 74 4.480 6.557 -4.518 1.00 0.79 H new ATOM 0 HG11 VAL A 74 6.993 6.751 -4.686 1.00 0.96 H new ATOM 0 HG12 VAL A 74 6.341 7.448 -3.184 1.00 0.96 H new ATOM 0 HG13 VAL A 74 7.125 5.851 -3.156 1.00 0.96 H new ATOM 0 HG21 VAL A 74 5.867 5.049 -5.878 1.00 0.80 H new ATOM 0 HG22 VAL A 74 5.913 3.908 -4.513 1.00 0.80 H new ATOM 0 HG23 VAL A 74 4.361 4.310 -5.285 1.00 0.80 H new ATOM 1203 N PHE A 75 2.658 3.821 -3.189 1.00 0.54 N ATOM 1204 CA PHE A 75 1.306 3.367 -3.523 1.00 0.50 C ATOM 1205 C PHE A 75 0.345 3.493 -2.334 1.00 0.48 C ATOM 1206 O PHE A 75 -0.744 4.034 -2.500 1.00 0.52 O ATOM 1207 CB PHE A 75 1.409 1.924 -4.032 1.00 0.52 C ATOM 1208 CG PHE A 75 0.235 1.412 -4.831 1.00 0.50 C ATOM 1209 CD1 PHE A 75 -0.988 1.094 -4.211 1.00 1.67 C ATOM 1210 CD2 PHE A 75 0.404 1.174 -6.206 1.00 1.92 C ATOM 1211 CE1 PHE A 75 -2.024 0.507 -4.961 1.00 1.66 C ATOM 1212 CE2 PHE A 75 -0.621 0.572 -6.943 1.00 1.94 C ATOM 1213 CZ PHE A 75 -1.835 0.229 -6.325 1.00 0.57 C ATOM 0 H PHE A 75 3.328 3.060 -3.076 1.00 0.54 H new ATOM 0 HA PHE A 75 0.884 4.003 -4.301 1.00 0.50 H new ATOM 0 HB2 PHE A 75 2.304 1.841 -4.648 1.00 0.52 H new ATOM 0 HB3 PHE A 75 1.551 1.268 -3.174 1.00 0.52 H new ATOM 0 HD1 PHE A 75 -1.131 1.300 -3.161 1.00 1.67 H new ATOM 0 HD2 PHE A 75 1.326 1.456 -6.693 1.00 1.92 H new ATOM 0 HE1 PHE A 75 -2.965 0.270 -4.488 1.00 1.66 H new ATOM 0 HE2 PHE A 75 -0.478 0.370 -7.994 1.00 1.94 H new ATOM 0 HZ PHE A 75 -2.619 -0.246 -6.896 1.00 0.57 H new ATOM 1223 N LEU A 76 0.752 3.074 -1.125 1.00 0.50 N ATOM 1224 CA LEU A 76 -0.018 3.300 0.104 1.00 0.54 C ATOM 1225 C LEU A 76 -0.211 4.787 0.390 1.00 0.57 C ATOM 1226 O LEU A 76 -1.324 5.206 0.708 1.00 0.62 O ATOM 1227 CB LEU A 76 0.688 2.680 1.322 1.00 0.57 C ATOM 1228 CG LEU A 76 0.691 1.146 1.430 1.00 0.67 C ATOM 1229 CD1 LEU A 76 1.259 0.794 2.813 1.00 0.98 C ATOM 1230 CD2 LEU A 76 -0.712 0.564 1.257 1.00 0.74 C ATOM 0 H LEU A 76 1.625 2.569 -0.974 1.00 0.50 H new ATOM 0 HA LEU A 76 -0.987 2.828 -0.056 1.00 0.54 H new ATOM 0 HB2 LEU A 76 1.724 3.020 1.321 1.00 0.57 H new ATOM 0 HB3 LEU A 76 0.222 3.081 2.222 1.00 0.57 H new ATOM 0 HG LEU A 76 1.301 0.716 0.635 1.00 0.67 H new ATOM 0 HD11 LEU A 76 1.279 -0.289 2.933 1.00 0.98 H new ATOM 0 HD12 LEU A 76 2.271 1.188 2.902 1.00 0.98 H new ATOM 0 HD13 LEU A 76 0.630 1.233 3.587 1.00 0.98 H new ATOM 0 HD21 LEU A 76 -0.668 -0.522 1.340 1.00 0.74 H new ATOM 0 HD22 LEU A 76 -1.369 0.961 2.031 1.00 0.74 H new ATOM 0 HD23 LEU A 76 -1.101 0.838 0.276 1.00 0.74 H new ATOM 1242 N THR A 77 0.856 5.589 0.276 1.00 0.58 N ATOM 1243 CA THR A 77 0.787 7.027 0.540 1.00 0.65 C ATOM 1244 C THR A 77 -0.052 7.708 -0.523 1.00 0.66 C ATOM 1245 O THR A 77 -0.941 8.483 -0.182 1.00 0.73 O ATOM 1246 CB THR A 77 2.178 7.654 0.603 1.00 0.66 C ATOM 1247 OG1 THR A 77 2.957 6.957 1.543 1.00 0.75 O ATOM 1248 CG2 THR A 77 2.049 9.109 1.035 1.00 0.96 C ATOM 0 H THR A 77 1.782 5.261 0.001 1.00 0.58 H new ATOM 0 HA THR A 77 0.318 7.169 1.514 1.00 0.65 H new ATOM 0 HB THR A 77 2.653 7.602 -0.377 1.00 0.66 H new ATOM 0 HG1 THR A 77 3.333 6.154 1.125 1.00 0.75 H new ATOM 0 HG21 THR A 77 3.039 9.564 1.082 1.00 0.96 H new ATOM 0 HG22 THR A 77 1.435 9.650 0.314 1.00 0.96 H new ATOM 0 HG23 THR A 77 1.581 9.157 2.018 1.00 0.96 H new ATOM 1256 N MET A 78 0.182 7.377 -1.795 1.00 0.63 N ATOM 1257 CA MET A 78 -0.620 7.841 -2.929 1.00 0.66 C ATOM 1258 C MET A 78 -2.088 7.543 -2.682 1.00 0.74 C ATOM 1259 O MET A 78 -2.881 8.457 -2.805 1.00 0.94 O ATOM 1260 CB MET A 78 -0.135 7.232 -4.248 1.00 0.63 C ATOM 1261 CG MET A 78 -0.954 7.656 -5.464 1.00 1.12 C ATOM 1262 SD MET A 78 -0.164 7.336 -7.068 1.00 1.32 S ATOM 1263 CE MET A 78 0.702 5.769 -6.768 1.00 1.19 C ATOM 0 H MET A 78 0.951 6.766 -2.071 1.00 0.63 H new ATOM 0 HA MET A 78 -0.498 8.920 -3.019 1.00 0.66 H new ATOM 0 HB2 MET A 78 0.906 7.515 -4.407 1.00 0.63 H new ATOM 0 HB3 MET A 78 -0.161 6.145 -4.166 1.00 0.63 H new ATOM 0 HG2 MET A 78 -1.912 7.137 -5.437 1.00 1.12 H new ATOM 0 HG3 MET A 78 -1.167 8.722 -5.387 1.00 1.12 H new ATOM 0 HE1 MET A 78 0.983 5.320 -7.721 1.00 1.19 H new ATOM 0 HE2 MET A 78 1.598 5.956 -6.177 1.00 1.19 H new ATOM 0 HE3 MET A 78 0.045 5.088 -6.226 1.00 1.19 H new ATOM 1273 N LEU A 79 -2.467 6.329 -2.274 1.00 0.67 N ATOM 1274 CA LEU A 79 -3.856 6.011 -1.929 1.00 0.77 C ATOM 1275 C LEU A 79 -4.370 6.811 -0.741 1.00 0.88 C ATOM 1276 O LEU A 79 -5.483 7.316 -0.827 1.00 1.00 O ATOM 1277 CB LEU A 79 -4.003 4.497 -1.728 1.00 0.78 C ATOM 1278 CG LEU A 79 -4.490 3.786 -3.004 1.00 1.23 C ATOM 1279 CD1 LEU A 79 -3.820 4.251 -4.307 1.00 2.95 C ATOM 1280 CD2 LEU A 79 -4.309 2.280 -2.801 1.00 1.71 C ATOM 0 H LEU A 79 -1.825 5.543 -2.174 1.00 0.67 H new ATOM 0 HA LEU A 79 -4.490 6.312 -2.763 1.00 0.77 H new ATOM 0 HB2 LEU A 79 -3.044 4.078 -1.424 1.00 0.78 H new ATOM 0 HB3 LEU A 79 -4.706 4.306 -0.917 1.00 0.78 H new ATOM 0 HG LEU A 79 -5.538 4.051 -3.141 1.00 1.23 H new ATOM 0 HD11 LEU A 79 -4.231 3.691 -5.147 1.00 2.95 H new ATOM 0 HD12 LEU A 79 -4.008 5.315 -4.453 1.00 2.95 H new ATOM 0 HD13 LEU A 79 -2.746 4.077 -4.246 1.00 2.95 H new ATOM 0 HD21 LEU A 79 -4.647 1.750 -3.691 1.00 1.71 H new ATOM 0 HD22 LEU A 79 -3.256 2.061 -2.625 1.00 1.71 H new ATOM 0 HD23 LEU A 79 -4.895 1.956 -1.941 1.00 1.71 H new ATOM 1292 N CYS A 80 -3.579 6.996 0.317 1.00 0.89 N ATOM 1293 CA CYS A 80 -3.963 7.855 1.438 1.00 1.00 C ATOM 1294 C CYS A 80 -4.254 9.304 0.986 1.00 1.07 C ATOM 1295 O CYS A 80 -5.281 9.862 1.378 1.00 1.24 O ATOM 1296 CB CYS A 80 -2.862 7.745 2.502 1.00 1.06 C ATOM 1297 SG CYS A 80 -3.430 8.463 4.068 1.00 1.32 S ATOM 0 H CYS A 80 -2.663 6.559 0.421 1.00 0.89 H new ATOM 0 HA CYS A 80 -4.906 7.523 1.873 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -2.592 6.699 2.650 1.00 1.06 H new ATOM 0 HB3 CYS A 80 -1.964 8.261 2.161 1.00 1.06 H new ATOM 0 HG CYS A 80 -2.489 8.361 4.959 1.00 1.32 H new ATOM 1303 N MET A 81 -3.399 9.893 0.136 1.00 1.04 N ATOM 1304 CA MET A 81 -3.611 11.236 -0.428 1.00 1.13 C ATOM 1305 C MET A 81 -4.685 11.296 -1.533 1.00 1.17 C ATOM 1306 O MET A 81 -5.360 12.318 -1.646 1.00 1.43 O ATOM 1307 CB MET A 81 -2.280 11.923 -0.770 1.00 1.28 C ATOM 1308 CG MET A 81 -1.511 11.361 -1.966 1.00 1.79 C ATOM 1309 SD MET A 81 -2.165 11.738 -3.615 1.00 3.12 S ATOM 1310 CE MET A 81 -2.095 13.544 -3.533 1.00 3.44 C ATOM 0 H MET A 81 -2.537 9.449 -0.181 1.00 1.04 H new ATOM 0 HA MET A 81 -4.057 11.841 0.361 1.00 1.13 H new ATOM 0 HB2 MET A 81 -2.479 12.978 -0.957 1.00 1.28 H new ATOM 0 HB3 MET A 81 -1.634 11.871 0.106 1.00 1.28 H new ATOM 0 HG2 MET A 81 -0.487 11.731 -1.915 1.00 1.79 H new ATOM 0 HG3 MET A 81 -1.464 10.277 -1.860 1.00 1.79 H new ATOM 0 HE1 MET A 81 -2.095 13.954 -4.543 1.00 3.44 H new ATOM 0 HE2 MET A 81 -2.963 13.917 -2.990 1.00 3.44 H new ATOM 0 HE3 MET A 81 -1.185 13.850 -3.017 1.00 3.44 H new ATOM 1320 N ALA A 82 -4.935 10.188 -2.254 1.00 1.08 N ATOM 1321 CA ALA A 82 -5.892 10.023 -3.370 1.00 1.19 C ATOM 1322 C ALA A 82 -7.383 10.243 -3.016 1.00 1.13 C ATOM 1323 O ALA A 82 -8.256 9.982 -3.843 1.00 1.36 O ATOM 1324 CB ALA A 82 -5.705 8.643 -4.021 1.00 1.29 C ATOM 0 H ALA A 82 -4.438 9.319 -2.060 1.00 1.08 H new ATOM 0 HA ALA A 82 -5.650 10.825 -4.067 1.00 1.19 H new ATOM 0 HB1 ALA A 82 -6.413 8.529 -4.842 1.00 1.29 H new ATOM 0 HB2 ALA A 82 -4.688 8.556 -4.404 1.00 1.29 H new ATOM 0 HB3 ALA A 82 -5.881 7.864 -3.279 1.00 1.29 H new ATOM 1330 N TYR A 83 -7.675 10.651 -1.783 1.00 1.02 N ATOM 1331 CA TYR A 83 -8.987 11.043 -1.264 1.00 1.20 C ATOM 1332 C TYR A 83 -8.881 11.887 0.030 1.00 1.29 C ATOM 1333 O TYR A 83 -9.864 12.067 0.748 1.00 1.72 O ATOM 1334 CB TYR A 83 -9.886 9.809 -1.100 1.00 1.31 C ATOM 1335 CG TYR A 83 -9.350 8.715 -0.199 1.00 1.26 C ATOM 1336 CD1 TYR A 83 -8.547 7.688 -0.731 1.00 1.76 C ATOM 1337 CD2 TYR A 83 -9.719 8.676 1.158 1.00 2.38 C ATOM 1338 CE1 TYR A 83 -8.222 6.569 0.050 1.00 1.70 C ATOM 1339 CE2 TYR A 83 -9.321 7.594 1.971 1.00 2.59 C ATOM 1340 CZ TYR A 83 -8.604 6.518 1.405 1.00 1.57 C ATOM 1341 OH TYR A 83 -8.277 5.422 2.146 1.00 1.90 O ATOM 0 H TYR A 83 -6.951 10.722 -1.068 1.00 1.02 H new ATOM 0 HA TYR A 83 -9.459 11.698 -1.996 1.00 1.20 H new ATOM 0 HB2 TYR A 83 -10.850 10.135 -0.709 1.00 1.31 H new ATOM 0 HB3 TYR A 83 -10.069 9.383 -2.087 1.00 1.31 H new ATOM 0 HD1 TYR A 83 -8.180 7.762 -1.744 1.00 1.76 H new ATOM 0 HD2 TYR A 83 -10.309 9.477 1.579 1.00 2.38 H new ATOM 0 HE1 TYR A 83 -7.678 5.745 -0.388 1.00 1.70 H new ATOM 0 HE2 TYR A 83 -9.564 7.589 3.023 1.00 2.59 H new ATOM 0 HH TYR A 83 -8.608 5.535 3.061 1.00 1.90 H new ATOM 1351 N ASN A 84 -7.697 12.437 0.346 1.00 1.31 N ATOM 1352 CA ASN A 84 -7.456 13.196 1.586 1.00 1.42 C ATOM 1353 C ASN A 84 -7.875 14.664 1.521 1.00 1.46 C ATOM 1354 O ASN A 84 -7.743 15.396 2.497 1.00 1.57 O ATOM 1355 CB ASN A 84 -5.991 13.048 2.027 1.00 1.61 C ATOM 1356 CG ASN A 84 -5.830 12.719 3.505 1.00 2.22 C ATOM 1357 OD1 ASN A 84 -5.474 13.544 4.326 1.00 3.82 O ATOM 1358 ND2 ASN A 84 -6.070 11.481 3.882 1.00 2.59 N ATOM 0 H ASN A 84 -6.875 12.368 -0.254 1.00 1.31 H new ATOM 0 HA ASN A 84 -8.107 12.755 2.340 1.00 1.42 H new ATOM 0 HB2 ASN A 84 -5.520 12.263 1.435 1.00 1.61 H new ATOM 0 HB3 ASN A 84 -5.459 13.974 1.809 1.00 1.61 H new ATOM 0 HD21 ASN A 84 -5.958 11.215 4.860 1.00 2.59 H new ATOM 0 HD22 ASN A 84 -6.368 10.788 3.196 1.00 2.59 H new ATOM 1365 N ASP A 85 -8.443 15.091 0.397 1.00 2.11 N ATOM 1366 CA ASP A 85 -9.045 16.412 0.290 1.00 2.29 C ATOM 1367 C ASP A 85 -10.285 16.572 1.192 1.00 2.27 C ATOM 1368 O ASP A 85 -10.601 17.680 1.618 1.00 2.27 O ATOM 1369 CB ASP A 85 -9.337 16.709 -1.183 1.00 3.44 C ATOM 1370 CG ASP A 85 -9.349 18.215 -1.438 1.00 4.97 C ATOM 1371 OD1 ASP A 85 -8.258 18.764 -1.708 1.00 6.37 O ATOM 1372 OD2 ASP A 85 -10.438 18.822 -1.407 1.00 5.44 O ATOM 0 H ASP A 85 -8.498 14.536 -0.457 1.00 2.11 H new ATOM 0 HA ASP A 85 -8.337 17.154 0.660 1.00 2.29 H new ATOM 0 HB2 ASP A 85 -8.583 16.235 -1.811 1.00 3.44 H new ATOM 0 HB3 ASP A 85 -10.300 16.280 -1.462 1.00 3.44 H new ATOM 1377 N PHE A 86 -10.895 15.456 1.614 1.00 2.69 N ATOM 1378 CA PHE A 86 -11.878 15.398 2.701 1.00 3.28 C ATOM 1379 C PHE A 86 -11.362 15.985 4.040 1.00 3.06 C ATOM 1380 O PHE A 86 -12.171 16.362 4.882 1.00 3.82 O ATOM 1381 CB PHE A 86 -12.321 13.935 2.892 1.00 3.93 C ATOM 1382 CG PHE A 86 -13.409 13.456 1.943 1.00 4.95 C ATOM 1383 CD1 PHE A 86 -13.094 13.008 0.646 1.00 6.05 C ATOM 1384 CD2 PHE A 86 -14.747 13.425 2.380 1.00 5.31 C ATOM 1385 CE1 PHE A 86 -14.103 12.505 -0.199 1.00 7.20 C ATOM 1386 CE2 PHE A 86 -15.760 12.942 1.531 1.00 6.38 C ATOM 1387 CZ PHE A 86 -15.438 12.471 0.246 1.00 7.24 C ATOM 0 H PHE A 86 -10.712 14.544 1.196 1.00 2.69 H new ATOM 0 HA PHE A 86 -12.721 16.025 2.410 1.00 3.28 H new ATOM 0 HB2 PHE A 86 -11.450 13.291 2.774 1.00 3.93 H new ATOM 0 HB3 PHE A 86 -12.674 13.810 3.916 1.00 3.93 H new ATOM 0 HD1 PHE A 86 -12.073 13.050 0.297 1.00 6.05 H new ATOM 0 HD2 PHE A 86 -14.997 13.773 3.371 1.00 5.31 H new ATOM 0 HE1 PHE A 86 -13.853 12.146 -1.186 1.00 7.20 H new ATOM 0 HE2 PHE A 86 -16.786 12.933 1.867 1.00 6.38 H new ATOM 0 HZ PHE A 86 -16.213 12.084 -0.398 1.00 7.24 H new ATOM 1397 N PHE A 87 -10.039 16.075 4.242 1.00 2.33 N ATOM 1398 CA PHE A 87 -9.399 16.698 5.414 1.00 2.60 C ATOM 1399 C PHE A 87 -8.969 18.153 5.143 1.00 2.31 C ATOM 1400 O PHE A 87 -8.461 18.819 6.046 1.00 2.92 O ATOM 1401 CB PHE A 87 -8.181 15.861 5.846 1.00 2.73 C ATOM 1402 CG PHE A 87 -8.479 14.430 6.249 1.00 3.24 C ATOM 1403 CD1 PHE A 87 -8.679 13.455 5.256 1.00 3.94 C ATOM 1404 CD2 PHE A 87 -8.526 14.055 7.603 1.00 3.76 C ATOM 1405 CE1 PHE A 87 -8.916 12.118 5.603 1.00 4.58 C ATOM 1406 CE2 PHE A 87 -8.763 12.713 7.956 1.00 4.38 C ATOM 1407 CZ PHE A 87 -8.959 11.743 6.957 1.00 4.58 C ATOM 0 H PHE A 87 -9.362 15.705 3.574 1.00 2.33 H new ATOM 0 HA PHE A 87 -10.137 16.724 6.216 1.00 2.60 H new ATOM 0 HB2 PHE A 87 -7.463 15.847 5.026 1.00 2.73 H new ATOM 0 HB3 PHE A 87 -7.697 16.362 6.684 1.00 2.73 H new ATOM 0 HD1 PHE A 87 -8.650 13.739 4.215 1.00 3.94 H new ATOM 0 HD2 PHE A 87 -8.380 14.798 8.374 1.00 3.76 H new ATOM 0 HE1 PHE A 87 -9.065 11.377 4.831 1.00 4.58 H new ATOM 0 HE2 PHE A 87 -8.794 12.428 8.997 1.00 4.38 H new ATOM 0 HZ PHE A 87 -9.142 10.714 7.229 1.00 4.58 H new ATOM 1417 N LEU A 88 -9.128 18.645 3.910 1.00 1.69 N ATOM 1418 CA LEU A 88 -8.836 20.012 3.491 1.00 1.64 C ATOM 1419 C LEU A 88 -10.005 20.937 3.876 1.00 2.12 C ATOM 1420 O LEU A 88 -10.404 20.972 5.036 1.00 2.69 O ATOM 1421 CB LEU A 88 -8.433 19.978 1.991 1.00 1.34 C ATOM 1422 CG LEU A 88 -7.288 20.944 1.652 1.00 2.38 C ATOM 1423 CD1 LEU A 88 -6.829 20.785 0.202 1.00 2.44 C ATOM 1424 CD2 LEU A 88 -7.598 22.425 1.923 1.00 4.01 C ATOM 0 H LEU A 88 -9.480 18.071 3.144 1.00 1.69 H new ATOM 0 HA LEU A 88 -7.984 20.448 4.013 1.00 1.64 H new ATOM 0 HB2 LEU A 88 -8.136 18.964 1.724 1.00 1.34 H new ATOM 0 HB3 LEU A 88 -9.302 20.226 1.382 1.00 1.34 H new ATOM 0 HG LEU A 88 -6.487 20.659 2.334 1.00 2.38 H new ATOM 0 HD11 LEU A 88 -6.018 21.484 -0.002 1.00 2.44 H new ATOM 0 HD12 LEU A 88 -6.478 19.766 0.041 1.00 2.44 H new ATOM 0 HD13 LEU A 88 -7.663 20.992 -0.468 1.00 2.44 H new ATOM 0 HD21 LEU A 88 -6.734 23.033 1.655 1.00 4.01 H new ATOM 0 HD22 LEU A 88 -8.457 22.732 1.326 1.00 4.01 H new ATOM 0 HD23 LEU A 88 -7.823 22.562 2.981 1.00 4.01 H new ATOM 1517 N GLU B 2 -10.746 1.519 9.386 1.00 2.12 N ATOM 1518 CA GLU B 2 -10.589 0.587 10.508 1.00 1.57 C ATOM 1519 C GLU B 2 -9.530 -0.504 10.264 1.00 1.50 C ATOM 1520 O GLU B 2 -9.246 -1.282 11.175 1.00 2.00 O ATOM 1521 CB GLU B 2 -11.950 -0.081 10.814 1.00 2.08 C ATOM 1522 CG GLU B 2 -12.609 -0.827 9.630 1.00 3.31 C ATOM 1523 CD GLU B 2 -13.097 0.155 8.567 1.00 4.36 C ATOM 1524 OE1 GLU B 2 -14.032 0.923 8.881 1.00 4.88 O ATOM 1525 OE2 GLU B 2 -12.385 0.363 7.556 1.00 5.18 O ATOM 0 HA GLU B 2 -10.239 1.177 11.355 1.00 1.57 H new ATOM 0 HB2 GLU B 2 -11.812 -0.787 11.633 1.00 2.08 H new ATOM 0 HB3 GLU B 2 -12.640 0.686 11.166 1.00 2.08 H new ATOM 0 HG2 GLU B 2 -11.893 -1.520 9.188 1.00 3.31 H new ATOM 0 HG3 GLU B 2 -13.447 -1.422 9.992 1.00 3.31 H new ATOM 1532 N THR B 3 -8.962 -0.597 9.051 1.00 1.35 N ATOM 1533 CA THR B 3 -8.163 -1.754 8.615 1.00 1.40 C ATOM 1534 C THR B 3 -6.808 -1.798 9.338 1.00 1.18 C ATOM 1535 O THR B 3 -6.278 -0.736 9.673 1.00 1.14 O ATOM 1536 CB THR B 3 -8.016 -1.827 7.083 1.00 1.59 C ATOM 1537 OG1 THR B 3 -6.804 -1.248 6.656 1.00 1.53 O ATOM 1538 CG2 THR B 3 -9.160 -1.194 6.287 1.00 2.35 C ATOM 0 H THR B 3 -9.044 0.131 8.342 1.00 1.35 H new ATOM 0 HA THR B 3 -8.712 -2.651 8.902 1.00 1.40 H new ATOM 0 HB THR B 3 -8.037 -2.896 6.873 1.00 1.59 H new ATOM 0 HG1 THR B 3 -6.143 -1.954 6.495 1.00 1.53 H new ATOM 0 HG21 THR B 3 -8.962 -1.297 5.220 1.00 2.35 H new ATOM 0 HG22 THR B 3 -10.096 -1.696 6.533 1.00 2.35 H new ATOM 0 HG23 THR B 3 -9.238 -0.137 6.541 1.00 2.35 H new ATOM 1546 N PRO B 4 -6.204 -2.983 9.561 1.00 1.34 N ATOM 1547 CA PRO B 4 -4.962 -3.086 10.322 1.00 1.46 C ATOM 1548 C PRO B 4 -3.803 -2.335 9.654 1.00 1.31 C ATOM 1549 O PRO B 4 -3.024 -1.698 10.363 1.00 1.42 O ATOM 1550 CB PRO B 4 -4.693 -4.586 10.480 1.00 1.89 C ATOM 1551 CG PRO B 4 -5.481 -5.229 9.340 1.00 1.98 C ATOM 1552 CD PRO B 4 -6.680 -4.299 9.172 1.00 1.69 C ATOM 0 HA PRO B 4 -5.054 -2.607 11.297 1.00 1.46 H new ATOM 0 HB2 PRO B 4 -3.629 -4.810 10.405 1.00 1.89 H new ATOM 0 HB3 PRO B 4 -5.028 -4.951 11.451 1.00 1.89 H new ATOM 0 HG2 PRO B 4 -4.889 -5.291 8.427 1.00 1.98 H new ATOM 0 HG3 PRO B 4 -5.791 -6.244 9.588 1.00 1.98 H new ATOM 0 HD2 PRO B 4 -7.036 -4.299 8.142 1.00 1.69 H new ATOM 0 HD3 PRO B 4 -7.514 -4.616 9.798 1.00 1.69 H new ATOM 1560 N LEU B 5 -3.720 -2.335 8.314 1.00 1.18 N ATOM 1561 CA LEU B 5 -2.740 -1.523 7.600 1.00 1.06 C ATOM 1562 C LEU B 5 -3.059 -0.025 7.668 1.00 0.85 C ATOM 1563 O LEU B 5 -2.138 0.749 7.920 1.00 0.96 O ATOM 1564 CB LEU B 5 -2.590 -2.043 6.160 1.00 1.09 C ATOM 1565 CG LEU B 5 -1.517 -1.331 5.309 1.00 1.09 C ATOM 1566 CD1 LEU B 5 -0.154 -1.194 6.012 1.00 1.40 C ATOM 1567 CD2 LEU B 5 -1.340 -2.139 4.018 1.00 1.84 C ATOM 0 H LEU B 5 -4.324 -2.891 7.709 1.00 1.18 H new ATOM 0 HA LEU B 5 -1.775 -1.625 8.097 1.00 1.06 H new ATOM 0 HB2 LEU B 5 -2.353 -3.106 6.198 1.00 1.09 H new ATOM 0 HB3 LEU B 5 -3.552 -1.949 5.655 1.00 1.09 H new ATOM 0 HG LEU B 5 -1.862 -0.314 5.121 1.00 1.09 H new ATOM 0 HD11 LEU B 5 0.547 -0.684 5.351 1.00 1.40 H new ATOM 0 HD12 LEU B 5 -0.274 -0.617 6.929 1.00 1.40 H new ATOM 0 HD13 LEU B 5 0.231 -2.184 6.255 1.00 1.40 H new ATOM 0 HD21 LEU B 5 -0.586 -1.663 3.391 1.00 1.84 H new ATOM 0 HD22 LEU B 5 -1.020 -3.152 4.264 1.00 1.84 H new ATOM 0 HD23 LEU B 5 -2.287 -2.178 3.480 1.00 1.84 H new ATOM 1579 N GLU B 6 -4.319 0.413 7.512 1.00 0.76 N ATOM 1580 CA GLU B 6 -4.613 1.847 7.631 1.00 0.79 C ATOM 1581 C GLU B 6 -4.294 2.353 9.042 1.00 0.82 C ATOM 1582 O GLU B 6 -3.781 3.462 9.174 1.00 0.99 O ATOM 1583 CB GLU B 6 -6.003 2.240 7.097 1.00 1.21 C ATOM 1584 CG GLU B 6 -7.220 2.139 8.020 1.00 1.38 C ATOM 1585 CD GLU B 6 -7.496 3.370 8.887 1.00 2.11 C ATOM 1586 OE1 GLU B 6 -6.581 4.005 9.445 1.00 3.01 O ATOM 1587 OE2 GLU B 6 -8.676 3.623 9.187 1.00 3.11 O ATOM 0 H GLU B 6 -5.123 -0.182 7.310 1.00 0.76 H new ATOM 0 HA GLU B 6 -3.940 2.380 6.959 1.00 0.79 H new ATOM 0 HB2 GLU B 6 -5.940 3.272 6.750 1.00 1.21 H new ATOM 0 HB3 GLU B 6 -6.204 1.622 6.222 1.00 1.21 H new ATOM 0 HG2 GLU B 6 -8.101 1.942 7.410 1.00 1.38 H new ATOM 0 HG3 GLU B 6 -7.087 1.278 8.675 1.00 1.38 H new ATOM 1594 N LYS B 7 -4.418 1.523 10.087 1.00 0.94 N ATOM 1595 CA LYS B 7 -3.992 1.913 11.439 1.00 1.17 C ATOM 1596 C LYS B 7 -2.472 2.153 11.592 1.00 1.41 C ATOM 1597 O LYS B 7 -2.006 2.470 12.691 1.00 2.11 O ATOM 1598 CB LYS B 7 -4.532 0.992 12.544 1.00 1.42 C ATOM 1599 CG LYS B 7 -6.032 0.624 12.604 1.00 1.94 C ATOM 1600 CD LYS B 7 -7.068 1.578 11.992 1.00 2.58 C ATOM 1601 CE LYS B 7 -7.111 2.979 12.617 1.00 2.91 C ATOM 1602 NZ LYS B 7 -8.005 3.882 11.848 1.00 3.94 N ATOM 0 H LYS B 7 -4.807 0.582 10.023 1.00 0.94 H new ATOM 0 HA LYS B 7 -4.461 2.887 11.578 1.00 1.17 H new ATOM 0 HB2 LYS B 7 -3.975 0.057 12.482 1.00 1.42 H new ATOM 0 HB3 LYS B 7 -4.277 1.453 13.498 1.00 1.42 H new ATOM 0 HG2 LYS B 7 -6.151 -0.344 12.117 1.00 1.94 H new ATOM 0 HG3 LYS B 7 -6.293 0.487 13.653 1.00 1.94 H new ATOM 0 HD2 LYS B 7 -6.862 1.678 10.926 1.00 2.58 H new ATOM 0 HD3 LYS B 7 -8.055 1.125 12.084 1.00 2.58 H new ATOM 0 HE2 LYS B 7 -7.459 2.910 13.648 1.00 2.91 H new ATOM 0 HE3 LYS B 7 -6.105 3.398 12.647 1.00 2.91 H new ATOM 0 HZ1 LYS B 7 -8.472 4.545 12.499 1.00 3.94 H new ATOM 0 HZ2 LYS B 7 -7.445 4.416 11.153 1.00 3.94 H new ATOM 0 HZ3 LYS B 7 -8.725 3.318 11.352 1.00 3.94 H new ATOM 1616 N ALA B 8 -1.681 1.984 10.530 1.00 1.07 N ATOM 1617 CA ALA B 8 -0.387 2.632 10.316 1.00 1.03 C ATOM 1618 C ALA B 8 -0.545 4.074 9.802 1.00 0.95 C ATOM 1619 O ALA B 8 -0.131 5.008 10.489 1.00 1.19 O ATOM 1620 CB ALA B 8 0.429 1.801 9.316 1.00 0.98 C ATOM 0 H ALA B 8 -1.937 1.364 9.762 1.00 1.07 H new ATOM 0 HA ALA B 8 0.132 2.686 11.273 1.00 1.03 H new ATOM 0 HB1 ALA B 8 1.396 2.277 9.151 1.00 0.98 H new ATOM 0 HB2 ALA B 8 0.582 0.798 9.715 1.00 0.98 H new ATOM 0 HB3 ALA B 8 -0.110 1.737 8.371 1.00 0.98 H new ATOM 1626 N LEU B 9 -1.158 4.253 8.626 1.00 0.76 N ATOM 1627 CA LEU B 9 -1.373 5.535 7.942 1.00 0.76 C ATOM 1628 C LEU B 9 -2.111 6.560 8.823 1.00 0.75 C ATOM 1629 O LEU B 9 -1.760 7.740 8.792 1.00 0.73 O ATOM 1630 CB LEU B 9 -2.157 5.308 6.626 1.00 0.70 C ATOM 1631 CG LEU B 9 -1.428 4.682 5.413 1.00 0.73 C ATOM 1632 CD1 LEU B 9 -0.252 5.544 4.930 1.00 0.94 C ATOM 1633 CD2 LEU B 9 -0.951 3.246 5.655 1.00 0.75 C ATOM 0 H LEU B 9 -1.537 3.467 8.098 1.00 0.76 H new ATOM 0 HA LEU B 9 -0.389 5.950 7.722 1.00 0.76 H new ATOM 0 HB2 LEU B 9 -3.012 4.673 6.859 1.00 0.70 H new ATOM 0 HB3 LEU B 9 -2.553 6.273 6.309 1.00 0.70 H new ATOM 0 HG LEU B 9 -2.185 4.646 4.629 1.00 0.73 H new ATOM 0 HD11 LEU B 9 0.227 5.062 4.078 1.00 0.94 H new ATOM 0 HD12 LEU B 9 -0.619 6.526 4.632 1.00 0.94 H new ATOM 0 HD13 LEU B 9 0.472 5.657 5.737 1.00 0.94 H new ATOM 0 HD21 LEU B 9 -0.450 2.874 4.762 1.00 0.75 H new ATOM 0 HD22 LEU B 9 -0.256 3.230 6.495 1.00 0.75 H new ATOM 0 HD23 LEU B 9 -1.808 2.611 5.881 1.00 0.75 H new ATOM 1645 N THR B 10 -3.080 6.144 9.655 1.00 0.80 N ATOM 1646 CA THR B 10 -3.756 7.053 10.602 1.00 0.78 C ATOM 1647 C THR B 10 -2.800 7.662 11.615 1.00 0.86 C ATOM 1648 O THR B 10 -2.900 8.857 11.889 1.00 0.96 O ATOM 1649 CB THR B 10 -4.968 6.449 11.321 1.00 0.79 C ATOM 1650 OG1 THR B 10 -5.033 5.056 11.236 1.00 1.91 O ATOM 1651 CG2 THR B 10 -6.241 7.039 10.727 1.00 1.75 C ATOM 0 H THR B 10 -3.415 5.181 9.693 1.00 0.80 H new ATOM 0 HA THR B 10 -4.141 7.845 9.960 1.00 0.78 H new ATOM 0 HB THR B 10 -4.863 6.697 12.377 1.00 0.79 H new ATOM 0 HG1 THR B 10 -5.333 4.797 10.340 1.00 1.91 H new ATOM 0 HG21 THR B 10 -7.109 6.615 11.232 1.00 1.75 H new ATOM 0 HG22 THR B 10 -6.237 8.121 10.859 1.00 1.75 H new ATOM 0 HG23 THR B 10 -6.289 6.804 9.664 1.00 1.75 H new ATOM 1659 N THR B 11 -1.818 6.897 12.114 1.00 0.83 N ATOM 1660 CA THR B 11 -0.738 7.446 12.955 1.00 0.83 C ATOM 1661 C THR B 11 0.145 8.417 12.170 1.00 0.82 C ATOM 1662 O THR B 11 0.620 9.401 12.738 1.00 0.94 O ATOM 1663 CB THR B 11 0.124 6.325 13.545 1.00 0.87 C ATOM 1664 OG1 THR B 11 -0.671 5.267 14.024 1.00 0.95 O ATOM 1665 CG2 THR B 11 0.972 6.820 14.713 1.00 1.09 C ATOM 0 H THR B 11 -1.747 5.893 11.950 1.00 0.83 H new ATOM 0 HA THR B 11 -1.213 7.993 13.769 1.00 0.83 H new ATOM 0 HB THR B 11 0.767 5.983 12.734 1.00 0.87 H new ATOM 0 HG1 THR B 11 -0.849 4.636 13.296 1.00 0.95 H new ATOM 0 HG21 THR B 11 1.569 5.996 15.104 1.00 1.09 H new ATOM 0 HG22 THR B 11 1.633 7.617 14.371 1.00 1.09 H new ATOM 0 HG23 THR B 11 0.321 7.201 15.499 1.00 1.09 H new ATOM 1673 N MET B 12 0.314 8.189 10.860 1.00 0.76 N ATOM 1674 CA MET B 12 1.099 9.094 10.006 1.00 0.78 C ATOM 1675 C MET B 12 0.363 10.412 9.796 1.00 0.87 C ATOM 1676 O MET B 12 0.935 11.461 10.073 1.00 1.03 O ATOM 1677 CB MET B 12 1.495 8.455 8.665 1.00 0.74 C ATOM 1678 CG MET B 12 2.331 7.188 8.850 1.00 1.03 C ATOM 1679 SD MET B 12 2.748 6.389 7.283 1.00 1.01 S ATOM 1680 CE MET B 12 4.520 6.743 7.196 1.00 0.74 C ATOM 0 H MET B 12 -0.081 7.387 10.369 1.00 0.76 H new ATOM 0 HA MET B 12 2.031 9.298 10.534 1.00 0.78 H new ATOM 0 HB2 MET B 12 0.595 8.214 8.100 1.00 0.74 H new ATOM 0 HB3 MET B 12 2.059 9.177 8.074 1.00 0.74 H new ATOM 0 HG2 MET B 12 3.250 7.439 9.381 1.00 1.03 H new ATOM 0 HG3 MET B 12 1.783 6.485 9.477 1.00 1.03 H new ATOM 0 HE1 MET B 12 4.932 6.315 6.282 1.00 0.74 H new ATOM 0 HE2 MET B 12 4.676 7.822 7.194 1.00 0.74 H new ATOM 0 HE3 MET B 12 5.021 6.305 8.059 1.00 0.74 H new ATOM 1690 N VAL B 13 -0.909 10.394 9.367 1.00 0.82 N ATOM 1691 CA VAL B 13 -1.649 11.657 9.131 1.00 0.88 C ATOM 1692 C VAL B 13 -1.799 12.482 10.415 1.00 0.88 C ATOM 1693 O VAL B 13 -1.778 13.708 10.348 1.00 0.94 O ATOM 1694 CB VAL B 13 -3.018 11.493 8.426 1.00 0.96 C ATOM 1695 CG1 VAL B 13 -2.883 10.786 7.069 1.00 1.05 C ATOM 1696 CG2 VAL B 13 -4.043 10.748 9.286 1.00 1.01 C ATOM 0 H VAL B 13 -1.441 9.545 9.179 1.00 0.82 H new ATOM 0 HA VAL B 13 -1.021 12.203 8.427 1.00 0.88 H new ATOM 0 HB VAL B 13 -3.383 12.507 8.265 1.00 0.96 H new ATOM 0 HG11 VAL B 13 -3.866 10.691 6.609 1.00 1.05 H new ATOM 0 HG12 VAL B 13 -2.232 11.369 6.418 1.00 1.05 H new ATOM 0 HG13 VAL B 13 -2.455 9.795 7.216 1.00 1.05 H new ATOM 0 HG21 VAL B 13 -4.983 10.663 8.740 1.00 1.01 H new ATOM 0 HG22 VAL B 13 -3.667 9.752 9.519 1.00 1.01 H new ATOM 0 HG23 VAL B 13 -4.210 11.298 10.212 1.00 1.01 H new ATOM 1706 N THR B 14 -1.846 11.823 11.582 1.00 0.86 N ATOM 1707 CA THR B 14 -1.849 12.468 12.904 1.00 0.93 C ATOM 1708 C THR B 14 -0.530 13.197 13.186 1.00 0.84 C ATOM 1709 O THR B 14 -0.559 14.347 13.616 1.00 0.93 O ATOM 1710 CB THR B 14 -2.149 11.420 13.990 1.00 1.00 C ATOM 1711 OG1 THR B 14 -3.390 10.811 13.718 1.00 1.19 O ATOM 1712 CG2 THR B 14 -2.264 12.037 15.381 1.00 1.34 C ATOM 0 H THR B 14 -1.884 10.805 11.635 1.00 0.86 H new ATOM 0 HA THR B 14 -2.633 13.225 12.915 1.00 0.93 H new ATOM 0 HB THR B 14 -1.322 10.710 13.976 1.00 1.00 H new ATOM 0 HG1 THR B 14 -3.257 10.056 13.108 1.00 1.19 H new ATOM 0 HG21 THR B 14 -2.476 11.255 16.110 1.00 1.34 H new ATOM 0 HG22 THR B 14 -1.326 12.529 15.639 1.00 1.34 H new ATOM 0 HG23 THR B 14 -3.072 12.769 15.389 1.00 1.34 H new ATOM 1720 N THR B 15 0.619 12.554 12.930 1.00 0.76 N ATOM 1721 CA THR B 15 1.964 13.070 13.253 1.00 0.82 C ATOM 1722 C THR B 15 2.410 14.127 12.248 1.00 0.84 C ATOM 1723 O THR B 15 2.725 15.243 12.658 1.00 0.91 O ATOM 1724 CB THR B 15 2.971 11.917 13.337 1.00 0.87 C ATOM 1725 OG1 THR B 15 2.452 10.893 14.159 1.00 2.10 O ATOM 1726 CG2 THR B 15 4.285 12.376 13.967 1.00 1.45 C ATOM 0 H THR B 15 0.643 11.638 12.482 1.00 0.76 H new ATOM 0 HA THR B 15 1.919 13.554 14.228 1.00 0.82 H new ATOM 0 HB THR B 15 3.149 11.563 12.321 1.00 0.87 H new ATOM 0 HG1 THR B 15 1.886 10.299 13.623 1.00 2.10 H new ATOM 0 HG21 THR B 15 4.979 11.537 14.013 1.00 1.45 H new ATOM 0 HG22 THR B 15 4.719 13.173 13.363 1.00 1.45 H new ATOM 0 HG23 THR B 15 4.096 12.746 14.975 1.00 1.45 H new ATOM 1734 N PHE B 16 2.359 13.831 10.948 1.00 0.86 N ATOM 1735 CA PHE B 16 2.715 14.761 9.870 1.00 0.90 C ATOM 1736 C PHE B 16 1.899 16.061 9.914 1.00 0.88 C ATOM 1737 O PHE B 16 2.462 17.149 9.802 1.00 0.95 O ATOM 1738 CB PHE B 16 2.520 14.027 8.536 1.00 0.94 C ATOM 1739 CG PHE B 16 2.748 14.864 7.291 1.00 0.89 C ATOM 1740 CD1 PHE B 16 1.694 15.623 6.748 1.00 1.54 C ATOM 1741 CD2 PHE B 16 3.999 14.860 6.646 1.00 1.95 C ATOM 1742 CE1 PHE B 16 1.889 16.357 5.564 1.00 1.59 C ATOM 1743 CE2 PHE B 16 4.180 15.559 5.443 1.00 1.90 C ATOM 1744 CZ PHE B 16 3.124 16.310 4.899 1.00 0.86 C ATOM 0 H PHE B 16 2.062 12.917 10.605 1.00 0.86 H new ATOM 0 HA PHE B 16 3.754 15.067 9.992 1.00 0.90 H new ATOM 0 HB2 PHE B 16 3.198 13.174 8.508 1.00 0.94 H new ATOM 0 HB3 PHE B 16 1.506 13.630 8.505 1.00 0.94 H new ATOM 0 HD1 PHE B 16 0.734 15.642 7.242 1.00 1.54 H new ATOM 0 HD2 PHE B 16 4.825 14.316 7.080 1.00 1.95 H new ATOM 0 HE1 PHE B 16 1.086 16.959 5.165 1.00 1.59 H new ATOM 0 HE2 PHE B 16 5.132 15.520 4.934 1.00 1.90 H new ATOM 0 HZ PHE B 16 3.262 16.849 3.973 1.00 0.86 H new ATOM 1754 N HIS B 17 0.580 15.977 10.139 1.00 0.82 N ATOM 1755 CA HIS B 17 -0.260 17.174 10.244 1.00 0.82 C ATOM 1756 C HIS B 17 0.199 18.129 11.365 1.00 0.85 C ATOM 1757 O HIS B 17 0.038 19.335 11.228 1.00 1.03 O ATOM 1758 CB HIS B 17 -1.726 16.762 10.435 1.00 0.80 C ATOM 1759 CG HIS B 17 -2.685 17.924 10.526 1.00 1.15 C ATOM 1760 ND1 HIS B 17 -2.861 18.759 11.606 1.00 2.14 N ATOM 1761 CD2 HIS B 17 -3.528 18.366 9.545 1.00 1.21 C ATOM 1762 CE1 HIS B 17 -3.763 19.694 11.273 1.00 2.48 C ATOM 1763 NE2 HIS B 17 -4.206 19.493 10.022 1.00 1.86 N ATOM 0 H HIS B 17 0.076 15.097 10.251 1.00 0.82 H new ATOM 0 HA HIS B 17 -0.159 17.731 9.312 1.00 0.82 H new ATOM 0 HB2 HIS B 17 -2.024 16.123 9.604 1.00 0.80 H new ATOM 0 HB3 HIS B 17 -1.809 16.164 11.343 1.00 0.80 H new ATOM 0 HD1 HIS B 17 -2.387 18.680 12.506 1.00 2.14 H new ATOM 0 HD2 HIS B 17 -3.650 17.921 8.568 1.00 1.21 H new ATOM 0 HE1 HIS B 17 -4.087 20.496 11.920 1.00 2.48 H new ATOM 1772 N LYS B 18 0.833 17.652 12.441 1.00 0.81 N ATOM 1773 CA LYS B 18 1.374 18.516 13.505 1.00 0.84 C ATOM 1774 C LYS B 18 2.455 19.510 13.007 1.00 0.91 C ATOM 1775 O LYS B 18 2.730 20.507 13.684 1.00 1.05 O ATOM 1776 CB LYS B 18 1.857 17.599 14.647 1.00 0.86 C ATOM 1777 CG LYS B 18 2.040 18.296 16.006 1.00 1.51 C ATOM 1778 CD LYS B 18 3.520 18.515 16.363 1.00 2.50 C ATOM 1779 CE LYS B 18 3.698 19.252 17.701 1.00 3.75 C ATOM 1780 NZ LYS B 18 3.186 18.475 18.863 1.00 4.46 N ATOM 0 H LYS B 18 0.988 16.657 12.603 1.00 0.81 H new ATOM 0 HA LYS B 18 0.589 19.175 13.875 1.00 0.84 H new ATOM 0 HB2 LYS B 18 1.142 16.785 14.766 1.00 0.86 H new ATOM 0 HB3 LYS B 18 2.806 17.149 14.355 1.00 0.86 H new ATOM 0 HG2 LYS B 18 1.528 19.258 15.989 1.00 1.51 H new ATOM 0 HG3 LYS B 18 1.567 17.697 16.784 1.00 1.51 H new ATOM 0 HD2 LYS B 18 4.025 17.551 16.413 1.00 2.50 H new ATOM 0 HD3 LYS B 18 4.001 19.087 15.570 1.00 2.50 H new ATOM 0 HE2 LYS B 18 4.755 19.469 17.853 1.00 3.75 H new ATOM 0 HE3 LYS B 18 3.180 20.210 17.654 1.00 3.75 H new ATOM 0 HZ1 LYS B 18 3.378 18.997 19.742 1.00 4.46 H new ATOM 0 HZ2 LYS B 18 2.161 18.333 18.761 1.00 4.46 H new ATOM 0 HZ3 LYS B 18 3.661 17.551 18.899 1.00 4.46 H new ATOM 1794 N TYR B 19 3.046 19.244 11.835 1.00 0.88 N ATOM 1795 CA TYR B 19 4.065 20.064 11.156 1.00 0.94 C ATOM 1796 C TYR B 19 3.588 20.719 9.848 1.00 1.03 C ATOM 1797 O TYR B 19 4.235 21.639 9.362 1.00 1.65 O ATOM 1798 CB TYR B 19 5.310 19.210 10.921 1.00 0.96 C ATOM 1799 CG TYR B 19 6.018 18.912 12.218 1.00 0.90 C ATOM 1800 CD1 TYR B 19 5.573 17.867 13.047 1.00 1.61 C ATOM 1801 CD2 TYR B 19 7.070 19.741 12.638 1.00 2.23 C ATOM 1802 CE1 TYR B 19 6.196 17.614 14.279 1.00 1.47 C ATOM 1803 CE2 TYR B 19 7.625 19.566 13.916 1.00 2.48 C ATOM 1804 CZ TYR B 19 7.168 18.529 14.757 1.00 1.23 C ATOM 1805 OH TYR B 19 7.635 18.467 16.032 1.00 1.62 O ATOM 0 H TYR B 19 2.815 18.405 11.303 1.00 0.88 H new ATOM 0 HA TYR B 19 4.292 20.902 11.816 1.00 0.94 H new ATOM 0 HB2 TYR B 19 5.028 18.276 10.435 1.00 0.96 H new ATOM 0 HB3 TYR B 19 5.988 19.729 10.244 1.00 0.96 H new ATOM 0 HD1 TYR B 19 4.743 17.252 12.732 1.00 1.61 H new ATOM 0 HD2 TYR B 19 7.451 20.510 11.982 1.00 2.23 H new ATOM 0 HE1 TYR B 19 5.939 16.736 14.854 1.00 1.47 H new ATOM 0 HE2 TYR B 19 8.406 20.229 14.257 1.00 2.48 H new ATOM 0 HH TYR B 19 8.407 19.063 16.127 1.00 1.62 H new ATOM 1815 N SER B 20 2.427 20.337 9.321 1.00 0.80 N ATOM 1816 CA SER B 20 1.672 21.173 8.382 1.00 0.76 C ATOM 1817 C SER B 20 0.917 22.285 9.129 1.00 1.17 C ATOM 1818 O SER B 20 1.089 23.472 8.845 1.00 1.80 O ATOM 1819 CB SER B 20 0.663 20.305 7.614 1.00 0.99 C ATOM 1820 OG SER B 20 1.300 19.240 6.941 1.00 1.41 O ATOM 0 H SER B 20 1.982 19.443 9.530 1.00 0.80 H new ATOM 0 HA SER B 20 2.375 21.631 7.686 1.00 0.76 H new ATOM 0 HB2 SER B 20 -0.077 19.907 8.308 1.00 0.99 H new ATOM 0 HB3 SER B 20 0.126 20.922 6.894 1.00 0.99 H new ATOM 0 HG SER B 20 1.834 19.594 6.199 1.00 1.41 H new ATOM 1826 N GLY B 21 0.117 21.896 10.130 1.00 1.21 N ATOM 1827 CA GLY B 21 -0.931 22.683 10.781 1.00 1.51 C ATOM 1828 C GLY B 21 -0.426 23.700 11.796 1.00 1.84 C ATOM 1829 O GLY B 21 -0.970 23.792 12.894 1.00 2.49 O ATOM 0 H GLY B 21 0.192 20.961 10.531 1.00 1.21 H new ATOM 0 HA2 GLY B 21 -1.501 23.208 10.015 1.00 1.51 H new ATOM 0 HA3 GLY B 21 -1.620 22.002 11.281 1.00 1.51 H new ATOM 1832 N ARG B 22 0.606 24.459 11.420 1.00 1.70 N ATOM 1833 CA ARG B 22 0.980 25.717 12.072 1.00 1.97 C ATOM 1834 C ARG B 22 -0.046 26.801 11.698 1.00 2.51 C ATOM 1835 O ARG B 22 -0.663 27.383 12.577 1.00 3.28 O ATOM 1836 CB ARG B 22 2.396 26.133 11.647 1.00 2.00 C ATOM 1837 CG ARG B 22 3.522 25.377 12.372 1.00 2.25 C ATOM 1838 CD ARG B 22 3.586 23.864 12.103 1.00 1.98 C ATOM 1839 NE ARG B 22 4.952 23.391 12.341 1.00 2.75 N ATOM 1840 CZ ARG B 22 5.501 22.911 13.447 1.00 3.85 C ATOM 1841 NH1 ARG B 22 4.787 22.416 14.435 1.00 4.75 N ATOM 1842 NH2 ARG B 22 6.810 22.907 13.544 1.00 4.84 N ATOM 0 H ARG B 22 1.216 24.213 10.640 1.00 1.70 H new ATOM 0 HA ARG B 22 0.980 25.586 13.154 1.00 1.97 H new ATOM 0 HB2 ARG B 22 2.501 25.976 10.574 1.00 2.00 H new ATOM 0 HB3 ARG B 22 2.517 27.201 11.826 1.00 2.00 H new ATOM 0 HG2 ARG B 22 4.476 25.820 12.085 1.00 2.25 H new ATOM 0 HG3 ARG B 22 3.408 25.533 13.445 1.00 2.25 H new ATOM 0 HD2 ARG B 22 2.887 23.337 12.753 1.00 1.98 H new ATOM 0 HD3 ARG B 22 3.288 23.652 11.076 1.00 1.98 H new ATOM 0 HE ARG B 22 5.574 23.438 11.534 1.00 2.75 H new ATOM 0 HH11 ARG B 22 3.770 22.392 14.367 1.00 4.75 H new ATOM 0 HH12 ARG B 22 5.251 22.057 15.269 1.00 4.75 H new ATOM 0 HH21 ARG B 22 7.379 23.268 12.778 1.00 4.84 H new ATOM 0 HH22 ARG B 22 7.258 22.543 14.385 1.00 4.84 H new ATOM 1856 N GLU B 23 -0.258 26.978 10.387 1.00 2.52 N ATOM 1857 CA GLU B 23 -1.287 27.819 9.759 1.00 3.47 C ATOM 1858 C GLU B 23 -1.498 27.358 8.306 1.00 2.99 C ATOM 1859 O GLU B 23 -2.563 26.871 7.942 1.00 3.64 O ATOM 1860 CB GLU B 23 -0.902 29.318 9.740 1.00 4.65 C ATOM 1861 CG GLU B 23 -1.002 30.064 11.076 1.00 5.76 C ATOM 1862 CD GLU B 23 -0.876 31.569 10.850 1.00 6.97 C ATOM 1863 OE1 GLU B 23 0.270 32.017 10.622 1.00 6.99 O ATOM 1864 OE2 GLU B 23 -1.926 32.250 10.880 1.00 8.33 O ATOM 0 H GLU B 23 0.322 26.508 9.692 1.00 2.52 H new ATOM 0 HA GLU B 23 -2.196 27.711 10.351 1.00 3.47 H new ATOM 0 HB2 GLU B 23 0.122 29.403 9.377 1.00 4.65 H new ATOM 0 HB3 GLU B 23 -1.540 29.826 9.017 1.00 4.65 H new ATOM 0 HG2 GLU B 23 -1.955 29.839 11.556 1.00 5.76 H new ATOM 0 HG3 GLU B 23 -0.217 29.723 11.751 1.00 5.76 H new ATOM 1871 N GLY B 24 -0.450 27.477 7.476 1.00 2.73 N ATOM 1872 CA GLY B 24 -0.557 27.538 6.012 1.00 2.69 C ATOM 1873 C GLY B 24 -0.772 26.226 5.249 1.00 2.23 C ATOM 1874 O GLY B 24 -0.749 26.263 4.025 1.00 2.64 O ATOM 0 H GLY B 24 0.512 27.534 7.811 1.00 2.73 H new ATOM 0 HA2 GLY B 24 -1.382 28.206 5.765 1.00 2.69 H new ATOM 0 HA3 GLY B 24 0.353 28.001 5.630 1.00 2.69 H new ATOM 1877 N SER B 25 -0.997 25.090 5.916 1.00 2.52 N ATOM 1878 CA SER B 25 -1.328 23.809 5.266 1.00 2.36 C ATOM 1879 C SER B 25 -1.782 22.733 6.263 1.00 2.45 C ATOM 1880 O SER B 25 -1.503 22.795 7.456 1.00 3.44 O ATOM 1881 CB SER B 25 -0.161 23.260 4.422 1.00 2.86 C ATOM 1882 OG SER B 25 -0.596 22.149 3.638 1.00 3.30 O ATOM 0 H SER B 25 -0.955 25.029 6.933 1.00 2.52 H new ATOM 0 HA SER B 25 -2.164 24.038 4.605 1.00 2.36 H new ATOM 0 HB2 SER B 25 0.226 24.044 3.771 1.00 2.86 H new ATOM 0 HB3 SER B 25 0.657 22.955 5.075 1.00 2.86 H new ATOM 0 HG SER B 25 0.067 21.961 2.941 1.00 3.30 H new ATOM 1888 N LYS B 26 -2.475 21.702 5.765 1.00 1.75 N ATOM 1889 CA LYS B 26 -2.818 20.467 6.483 1.00 1.65 C ATOM 1890 C LYS B 26 -2.261 19.189 5.799 1.00 1.50 C ATOM 1891 O LYS B 26 -2.413 18.093 6.335 1.00 1.62 O ATOM 1892 CB LYS B 26 -4.354 20.447 6.628 1.00 1.49 C ATOM 1893 CG LYS B 26 -4.826 21.710 7.376 1.00 1.76 C ATOM 1894 CD LYS B 26 -6.283 21.680 7.825 1.00 2.16 C ATOM 1895 CE LYS B 26 -7.263 21.594 6.651 1.00 1.94 C ATOM 1896 NZ LYS B 26 -8.670 21.706 7.099 1.00 2.96 N ATOM 0 H LYS B 26 -2.828 21.705 4.808 1.00 1.75 H new ATOM 0 HA LYS B 26 -2.344 20.462 7.465 1.00 1.65 H new ATOM 0 HB2 LYS B 26 -4.820 20.401 5.644 1.00 1.49 H new ATOM 0 HB3 LYS B 26 -4.665 19.554 7.171 1.00 1.49 H new ATOM 0 HG2 LYS B 26 -4.193 21.854 8.252 1.00 1.76 H new ATOM 0 HG3 LYS B 26 -4.677 22.575 6.730 1.00 1.76 H new ATOM 0 HD2 LYS B 26 -6.438 20.826 8.485 1.00 2.16 H new ATOM 0 HD3 LYS B 26 -6.498 22.576 8.407 1.00 2.16 H new ATOM 0 HE2 LYS B 26 -7.045 22.388 5.937 1.00 1.94 H new ATOM 0 HE3 LYS B 26 -7.122 20.648 6.129 1.00 1.94 H new ATOM 0 HZ1 LYS B 26 -9.305 21.475 6.309 1.00 2.96 H new ATOM 0 HZ2 LYS B 26 -8.838 21.044 7.883 1.00 2.96 H new ATOM 0 HZ3 LYS B 26 -8.856 22.678 7.420 1.00 2.96 H new ATOM 1910 N LEU B 27 -1.628 19.318 4.617 1.00 1.43 N ATOM 1911 CA LEU B 27 -1.188 18.200 3.750 1.00 1.37 C ATOM 1912 C LEU B 27 0.226 18.367 3.135 1.00 1.13 C ATOM 1913 O LEU B 27 0.698 17.463 2.444 1.00 1.05 O ATOM 1914 CB LEU B 27 -2.245 17.998 2.642 1.00 1.68 C ATOM 1915 CG LEU B 27 -3.656 17.587 3.130 1.00 2.40 C ATOM 1916 CD1 LEU B 27 -4.628 17.549 1.948 1.00 2.68 C ATOM 1917 CD2 LEU B 27 -3.674 16.212 3.815 1.00 3.11 C ATOM 0 H LEU B 27 -1.400 20.231 4.224 1.00 1.43 H new ATOM 0 HA LEU B 27 -1.104 17.319 4.387 1.00 1.37 H new ATOM 0 HB2 LEU B 27 -2.332 18.925 2.075 1.00 1.68 H new ATOM 0 HB3 LEU B 27 -1.882 17.235 1.953 1.00 1.68 H new ATOM 0 HG LEU B 27 -3.958 18.335 3.863 1.00 2.40 H new ATOM 0 HD11 LEU B 27 -5.618 17.259 2.300 1.00 2.68 H new ATOM 0 HD12 LEU B 27 -4.681 18.536 1.489 1.00 2.68 H new ATOM 0 HD13 LEU B 27 -4.278 16.825 1.212 1.00 2.68 H new ATOM 0 HD21 LEU B 27 -4.689 15.978 4.135 1.00 3.11 H new ATOM 0 HD22 LEU B 27 -3.331 15.452 3.114 1.00 3.11 H new ATOM 0 HD23 LEU B 27 -3.015 16.229 4.683 1.00 3.11 H new ATOM 1929 N THR B 28 0.907 19.487 3.412 1.00 1.16 N ATOM 1930 CA THR B 28 2.305 19.807 3.039 1.00 1.02 C ATOM 1931 C THR B 28 3.056 20.458 4.207 1.00 1.01 C ATOM 1932 O THR B 28 2.422 20.842 5.190 1.00 1.20 O ATOM 1933 CB THR B 28 2.352 20.737 1.813 1.00 1.02 C ATOM 1934 OG1 THR B 28 1.495 21.836 2.025 1.00 1.22 O ATOM 1935 CG2 THR B 28 1.910 20.061 0.517 1.00 1.05 C ATOM 0 H THR B 28 0.474 20.247 3.936 1.00 1.16 H new ATOM 0 HA THR B 28 2.795 18.866 2.788 1.00 1.02 H new ATOM 0 HB THR B 28 3.394 21.037 1.703 1.00 1.02 H new ATOM 0 HG1 THR B 28 2.025 22.659 2.077 1.00 1.22 H new ATOM 0 HG21 THR B 28 1.969 20.775 -0.304 1.00 1.05 H new ATOM 0 HG22 THR B 28 2.563 19.213 0.308 1.00 1.05 H new ATOM 0 HG23 THR B 28 0.883 19.711 0.621 1.00 1.05 H new ATOM 1943 N LEU B 29 4.387 20.589 4.123 1.00 0.84 N ATOM 1944 CA LEU B 29 5.282 21.237 5.110 1.00 0.86 C ATOM 1945 C LEU B 29 6.598 21.694 4.455 1.00 0.71 C ATOM 1946 O LEU B 29 6.912 21.246 3.359 1.00 0.69 O ATOM 1947 CB LEU B 29 5.532 20.315 6.331 1.00 0.97 C ATOM 1948 CG LEU B 29 6.627 19.226 6.186 1.00 0.91 C ATOM 1949 CD1 LEU B 29 6.693 18.410 7.483 1.00 1.24 C ATOM 1950 CD2 LEU B 29 6.407 18.278 5.000 1.00 0.85 C ATOM 0 H LEU B 29 4.904 20.227 3.321 1.00 0.84 H new ATOM 0 HA LEU B 29 4.781 22.131 5.480 1.00 0.86 H new ATOM 0 HB2 LEU B 29 5.793 20.945 7.182 1.00 0.97 H new ATOM 0 HB3 LEU B 29 4.593 19.819 6.577 1.00 0.97 H new ATOM 0 HG LEU B 29 7.565 19.747 5.993 1.00 0.91 H new ATOM 0 HD11 LEU B 29 7.460 17.641 7.391 1.00 1.24 H new ATOM 0 HD12 LEU B 29 6.938 19.069 8.316 1.00 1.24 H new ATOM 0 HD13 LEU B 29 5.727 17.938 7.666 1.00 1.24 H new ATOM 0 HD21 LEU B 29 7.213 17.545 4.965 1.00 0.85 H new ATOM 0 HD22 LEU B 29 5.454 17.763 5.118 1.00 0.85 H new ATOM 0 HD23 LEU B 29 6.398 18.851 4.073 1.00 0.85 H new ATOM 1962 N SER B 30 7.396 22.565 5.083 1.00 0.72 N ATOM 1963 CA SER B 30 8.670 23.025 4.493 1.00 0.67 C ATOM 1964 C SER B 30 9.796 21.973 4.570 1.00 0.65 C ATOM 1965 O SER B 30 9.824 21.092 5.436 1.00 0.72 O ATOM 1966 CB SER B 30 9.139 24.380 5.071 1.00 0.77 C ATOM 1967 OG SER B 30 10.247 24.297 5.963 1.00 1.63 O ATOM 0 H SER B 30 7.188 22.968 5.997 1.00 0.72 H new ATOM 0 HA SER B 30 8.451 23.175 3.436 1.00 0.67 H new ATOM 0 HB2 SER B 30 9.404 25.039 4.245 1.00 0.77 H new ATOM 0 HB3 SER B 30 8.303 24.845 5.594 1.00 0.77 H new ATOM 0 HG SER B 30 10.707 25.162 5.995 1.00 1.63 H new ATOM 1973 N ARG B 31 10.795 22.122 3.699 1.00 0.70 N ATOM 1974 CA ARG B 31 12.019 21.317 3.722 1.00 0.77 C ATOM 1975 C ARG B 31 12.760 21.351 5.078 1.00 0.72 C ATOM 1976 O ARG B 31 13.376 20.352 5.446 1.00 0.86 O ATOM 1977 CB ARG B 31 12.953 21.826 2.620 1.00 1.09 C ATOM 1978 CG ARG B 31 13.370 20.788 1.591 1.00 1.27 C ATOM 1979 CD ARG B 31 12.772 21.011 0.196 1.00 1.30 C ATOM 1980 NE ARG B 31 13.048 19.876 -0.708 1.00 2.04 N ATOM 1981 CZ ARG B 31 14.225 19.393 -1.105 1.00 2.36 C ATOM 1982 NH1 ARG B 31 15.367 19.988 -0.848 1.00 3.55 N ATOM 1983 NH2 ARG B 31 14.272 18.249 -1.751 1.00 3.01 N ATOM 0 H ARG B 31 10.778 22.813 2.949 1.00 0.70 H new ATOM 0 HA ARG B 31 11.728 20.279 3.559 1.00 0.77 H new ATOM 0 HB2 ARG B 31 12.462 22.650 2.102 1.00 1.09 H new ATOM 0 HB3 ARG B 31 13.851 22.232 3.086 1.00 1.09 H new ATOM 0 HG2 ARG B 31 14.457 20.787 1.512 1.00 1.27 H new ATOM 0 HG3 ARG B 31 13.075 19.801 1.947 1.00 1.27 H new ATOM 0 HD2 ARG B 31 11.695 21.154 0.281 1.00 1.30 H new ATOM 0 HD3 ARG B 31 13.182 21.925 -0.233 1.00 1.30 H new ATOM 0 HE ARG B 31 12.227 19.397 -1.078 1.00 2.04 H new ATOM 0 HH11 ARG B 31 15.380 20.862 -0.322 1.00 3.55 H new ATOM 0 HH12 ARG B 31 16.241 19.577 -1.175 1.00 3.55 H new ATOM 0 HH21 ARG B 31 13.411 17.737 -1.945 1.00 3.01 H new ATOM 0 HH22 ARG B 31 15.169 17.873 -2.058 1.00 3.01 H new ATOM 1997 N LYS B 32 12.735 22.470 5.816 1.00 0.70 N ATOM 1998 CA LYS B 32 13.268 22.561 7.182 1.00 0.75 C ATOM 1999 C LYS B 32 12.296 22.048 8.260 1.00 0.71 C ATOM 2000 O LYS B 32 12.761 21.366 9.175 1.00 0.81 O ATOM 2001 CB LYS B 32 13.783 23.983 7.454 1.00 1.03 C ATOM 2002 CG LYS B 32 15.318 24.003 7.324 1.00 1.82 C ATOM 2003 CD LYS B 32 15.902 25.384 7.625 1.00 2.35 C ATOM 2004 CE LYS B 32 15.849 26.299 6.395 1.00 3.33 C ATOM 2005 NZ LYS B 32 17.164 26.424 5.721 1.00 4.61 N ATOM 0 H LYS B 32 12.340 23.347 5.477 1.00 0.70 H new ATOM 0 HA LYS B 32 14.116 21.879 7.250 1.00 0.75 H new ATOM 0 HB2 LYS B 32 13.338 24.684 6.748 1.00 1.03 H new ATOM 0 HB3 LYS B 32 13.487 24.304 8.453 1.00 1.03 H new ATOM 0 HG2 LYS B 32 15.749 23.271 8.007 1.00 1.82 H new ATOM 0 HG3 LYS B 32 15.600 23.702 6.315 1.00 1.82 H new ATOM 0 HD2 LYS B 32 15.349 25.843 8.445 1.00 2.35 H new ATOM 0 HD3 LYS B 32 16.935 25.279 7.957 1.00 2.35 H new ATOM 0 HE2 LYS B 32 15.118 25.908 5.687 1.00 3.33 H new ATOM 0 HE3 LYS B 32 15.504 27.288 6.697 1.00 3.33 H new ATOM 0 HZ1 LYS B 32 17.019 26.637 4.713 1.00 4.61 H new ATOM 0 HZ2 LYS B 32 17.709 27.192 6.162 1.00 4.61 H new ATOM 0 HZ3 LYS B 32 17.688 25.531 5.814 1.00 4.61 H new ATOM 2019 N GLU B 33 10.980 22.252 8.127 1.00 0.67 N ATOM 2020 CA GLU B 33 9.968 21.615 9.002 1.00 0.66 C ATOM 2021 C GLU B 33 10.154 20.088 9.044 1.00 0.68 C ATOM 2022 O GLU B 33 10.238 19.483 10.115 1.00 0.78 O ATOM 2023 CB GLU B 33 8.546 21.918 8.496 1.00 0.88 C ATOM 2024 CG GLU B 33 8.080 23.358 8.739 1.00 1.71 C ATOM 2025 CD GLU B 33 7.485 23.529 10.133 1.00 1.60 C ATOM 2026 OE1 GLU B 33 7.983 22.913 11.097 1.00 2.08 O ATOM 2027 OE2 GLU B 33 6.491 24.266 10.271 1.00 2.66 O ATOM 0 H GLU B 33 10.579 22.861 7.413 1.00 0.67 H new ATOM 0 HA GLU B 33 10.102 22.025 10.003 1.00 0.66 H new ATOM 0 HB2 GLU B 33 8.502 21.711 7.427 1.00 0.88 H new ATOM 0 HB3 GLU B 33 7.848 21.236 8.982 1.00 0.88 H new ATOM 0 HG2 GLU B 33 8.922 24.039 8.616 1.00 1.71 H new ATOM 0 HG3 GLU B 33 7.337 23.632 7.990 1.00 1.71 H new ATOM 2034 N LEU B 34 10.331 19.479 7.866 1.00 0.67 N ATOM 2035 CA LEU B 34 10.558 18.044 7.701 1.00 0.73 C ATOM 2036 C LEU B 34 11.815 17.547 8.438 1.00 0.76 C ATOM 2037 O LEU B 34 11.884 16.396 8.870 1.00 0.92 O ATOM 2038 CB LEU B 34 10.610 17.781 6.181 1.00 0.77 C ATOM 2039 CG LEU B 34 10.754 16.304 5.762 1.00 0.83 C ATOM 2040 CD1 LEU B 34 9.595 15.447 6.273 1.00 1.04 C ATOM 2041 CD2 LEU B 34 10.791 16.212 4.233 1.00 1.14 C ATOM 0 H LEU B 34 10.320 19.986 6.981 1.00 0.67 H new ATOM 0 HA LEU B 34 9.749 17.475 8.159 1.00 0.73 H new ATOM 0 HB2 LEU B 34 9.701 18.180 5.731 1.00 0.77 H new ATOM 0 HB3 LEU B 34 11.446 18.341 5.762 1.00 0.77 H new ATOM 0 HG LEU B 34 11.678 15.927 6.200 1.00 0.83 H new ATOM 0 HD11 LEU B 34 9.738 14.414 5.954 1.00 1.04 H new ATOM 0 HD12 LEU B 34 9.563 15.490 7.362 1.00 1.04 H new ATOM 0 HD13 LEU B 34 8.657 15.825 5.868 1.00 1.04 H new ATOM 0 HD21 LEU B 34 10.893 15.169 3.934 1.00 1.14 H new ATOM 0 HD22 LEU B 34 9.867 16.619 3.822 1.00 1.14 H new ATOM 0 HD23 LEU B 34 11.639 16.782 3.855 1.00 1.14 H new ATOM 2053 N LYS B 35 12.812 18.416 8.636 1.00 0.78 N ATOM 2054 CA LYS B 35 14.034 18.088 9.376 1.00 0.85 C ATOM 2055 C LYS B 35 13.763 17.958 10.881 1.00 0.76 C ATOM 2056 O LYS B 35 14.392 17.132 11.540 1.00 0.83 O ATOM 2057 CB LYS B 35 15.084 19.174 9.065 1.00 1.07 C ATOM 2058 CG LYS B 35 16.545 18.741 9.238 1.00 1.30 C ATOM 2059 CD LYS B 35 17.086 18.636 10.681 1.00 2.10 C ATOM 2060 CE LYS B 35 17.434 17.205 11.135 1.00 3.48 C ATOM 2061 NZ LYS B 35 18.602 16.633 10.422 1.00 4.49 N ATOM 0 H LYS B 35 12.793 19.373 8.285 1.00 0.78 H new ATOM 0 HA LYS B 35 14.414 17.116 9.060 1.00 0.85 H new ATOM 0 HB2 LYS B 35 14.941 19.511 8.038 1.00 1.07 H new ATOM 0 HB3 LYS B 35 14.898 20.032 9.711 1.00 1.07 H new ATOM 0 HG2 LYS B 35 16.668 17.769 8.760 1.00 1.30 H new ATOM 0 HG3 LYS B 35 17.173 19.446 8.693 1.00 1.30 H new ATOM 0 HD2 LYS B 35 17.978 19.257 10.766 1.00 2.10 H new ATOM 0 HD3 LYS B 35 16.344 19.049 11.364 1.00 2.10 H new ATOM 0 HE2 LYS B 35 17.637 17.210 12.206 1.00 3.48 H new ATOM 0 HE3 LYS B 35 16.569 16.560 10.978 1.00 3.48 H new ATOM 0 HZ1 LYS B 35 19.217 16.141 11.102 1.00 4.49 H new ATOM 0 HZ2 LYS B 35 18.273 15.959 9.702 1.00 4.49 H new ATOM 0 HZ3 LYS B 35 19.136 17.397 9.962 1.00 4.49 H new ATOM 2075 N GLU B 36 12.837 18.762 11.418 1.00 0.70 N ATOM 2076 CA GLU B 36 12.331 18.539 12.771 1.00 0.71 C ATOM 2077 C GLU B 36 11.442 17.290 12.830 1.00 0.74 C ATOM 2078 O GLU B 36 11.699 16.446 13.683 1.00 0.96 O ATOM 2079 CB GLU B 36 11.618 19.762 13.391 1.00 1.03 C ATOM 2080 CG GLU B 36 11.156 19.304 14.787 1.00 1.63 C ATOM 2081 CD GLU B 36 10.770 20.342 15.826 1.00 2.55 C ATOM 2082 OE1 GLU B 36 11.711 20.892 16.431 1.00 2.67 O ATOM 2083 OE2 GLU B 36 9.634 20.241 16.349 1.00 4.21 O ATOM 0 H GLU B 36 12.428 19.564 10.939 1.00 0.70 H new ATOM 0 HA GLU B 36 13.214 18.374 13.389 1.00 0.71 H new ATOM 0 HB2 GLU B 36 12.292 20.616 13.461 1.00 1.03 H new ATOM 0 HB3 GLU B 36 10.771 20.074 12.780 1.00 1.03 H new ATOM 0 HG2 GLU B 36 10.298 18.647 14.647 1.00 1.63 H new ATOM 0 HG3 GLU B 36 11.955 18.698 15.213 1.00 1.63 H new ATOM 2090 N LEU B 37 10.431 17.163 11.956 1.00 0.66 N ATOM 2091 CA LEU B 37 9.469 16.053 11.990 1.00 0.76 C ATOM 2092 C LEU B 37 10.196 14.703 12.100 1.00 0.88 C ATOM 2093 O LEU B 37 10.033 14.012 13.102 1.00 0.99 O ATOM 2094 CB LEU B 37 8.554 16.156 10.754 1.00 0.73 C ATOM 2095 CG LEU B 37 7.492 15.040 10.661 1.00 0.69 C ATOM 2096 CD1 LEU B 37 6.287 15.207 11.577 1.00 0.97 C ATOM 2097 CD2 LEU B 37 6.970 14.932 9.226 1.00 1.22 C ATOM 0 H LEU B 37 10.258 17.830 11.204 1.00 0.66 H new ATOM 0 HA LEU B 37 8.840 16.119 12.878 1.00 0.76 H new ATOM 0 HB2 LEU B 37 8.050 17.122 10.768 1.00 0.73 H new ATOM 0 HB3 LEU B 37 9.171 16.131 9.856 1.00 0.73 H new ATOM 0 HG LEU B 37 8.016 14.141 10.986 1.00 0.69 H new ATOM 0 HD11 LEU B 37 5.602 14.371 11.434 1.00 0.97 H new ATOM 0 HD12 LEU B 37 6.619 15.230 12.615 1.00 0.97 H new ATOM 0 HD13 LEU B 37 5.775 16.140 11.339 1.00 0.97 H new ATOM 0 HD21 LEU B 37 6.221 14.142 9.170 1.00 1.22 H new ATOM 0 HD22 LEU B 37 6.521 15.880 8.930 1.00 1.22 H new ATOM 0 HD23 LEU B 37 7.796 14.697 8.555 1.00 1.22 H new ATOM 2109 N ILE B 38 11.100 14.385 11.171 1.00 0.89 N ATOM 2110 CA ILE B 38 11.805 13.083 11.149 1.00 1.04 C ATOM 2111 C ILE B 38 12.681 12.851 12.394 1.00 1.15 C ATOM 2112 O ILE B 38 12.794 11.721 12.869 1.00 1.39 O ATOM 2113 CB ILE B 38 12.551 12.919 9.801 1.00 1.06 C ATOM 2114 CG1 ILE B 38 11.499 12.939 8.662 1.00 1.26 C ATOM 2115 CG2 ILE B 38 13.383 11.618 9.768 1.00 1.45 C ATOM 2116 CD1 ILE B 38 12.103 12.995 7.264 1.00 1.47 C ATOM 0 H ILE B 38 11.369 15.012 10.413 1.00 0.89 H new ATOM 0 HA ILE B 38 11.067 12.283 11.209 1.00 1.04 H new ATOM 0 HB ILE B 38 13.256 13.740 9.671 1.00 1.06 H new ATOM 0 HG12 ILE B 38 10.875 12.049 8.742 1.00 1.26 H new ATOM 0 HG13 ILE B 38 10.845 13.800 8.799 1.00 1.26 H new ATOM 0 HG21 ILE B 38 13.892 11.536 8.808 1.00 1.45 H new ATOM 0 HG22 ILE B 38 14.121 11.638 10.570 1.00 1.45 H new ATOM 0 HG23 ILE B 38 12.723 10.761 9.903 1.00 1.45 H new ATOM 0 HD11 ILE B 38 11.304 13.006 6.523 1.00 1.47 H new ATOM 0 HD12 ILE B 38 12.704 13.899 7.163 1.00 1.47 H new ATOM 0 HD13 ILE B 38 12.734 12.120 7.105 1.00 1.47 H new ATOM 2128 N LYS B 39 13.255 13.895 13.000 1.00 1.08 N ATOM 2129 CA LYS B 39 13.974 13.766 14.280 1.00 1.19 C ATOM 2130 C LYS B 39 13.099 13.837 15.549 1.00 1.29 C ATOM 2131 O LYS B 39 13.604 13.565 16.643 1.00 1.48 O ATOM 2132 CB LYS B 39 15.161 14.752 14.320 1.00 1.22 C ATOM 2133 CG LYS B 39 16.531 14.099 14.052 1.00 1.39 C ATOM 2134 CD LYS B 39 16.874 12.866 14.919 1.00 1.68 C ATOM 2135 CE LYS B 39 16.738 13.107 16.432 1.00 2.53 C ATOM 2136 NZ LYS B 39 16.583 11.832 17.173 1.00 3.41 N ATOM 0 H LYS B 39 13.238 14.844 12.626 1.00 1.08 H new ATOM 0 HA LYS B 39 14.352 12.744 14.307 1.00 1.19 H new ATOM 0 HB2 LYS B 39 14.993 15.536 13.581 1.00 1.22 H new ATOM 0 HB3 LYS B 39 15.186 15.235 15.297 1.00 1.22 H new ATOM 0 HG2 LYS B 39 16.572 13.804 13.003 1.00 1.39 H new ATOM 0 HG3 LYS B 39 17.306 14.851 14.202 1.00 1.39 H new ATOM 0 HD2 LYS B 39 16.222 12.041 14.633 1.00 1.68 H new ATOM 0 HD3 LYS B 39 17.896 12.555 14.702 1.00 1.68 H new ATOM 0 HE2 LYS B 39 17.617 13.637 16.798 1.00 2.53 H new ATOM 0 HE3 LYS B 39 15.877 13.748 16.624 1.00 2.53 H new ATOM 0 HZ1 LYS B 39 16.528 12.028 18.193 1.00 3.41 H new ATOM 0 HZ2 LYS B 39 15.712 11.355 16.864 1.00 3.41 H new ATOM 0 HZ3 LYS B 39 17.400 11.218 16.982 1.00 3.41 H new ATOM 2150 N LYS B 40 11.818 14.183 15.433 1.00 1.25 N ATOM 2151 CA LYS B 40 10.801 14.113 16.490 1.00 1.42 C ATOM 2152 C LYS B 40 10.035 12.779 16.488 1.00 1.61 C ATOM 2153 O LYS B 40 9.644 12.286 17.540 1.00 1.76 O ATOM 2154 CB LYS B 40 9.833 15.285 16.268 1.00 1.46 C ATOM 2155 CG LYS B 40 10.426 16.624 16.720 1.00 1.49 C ATOM 2156 CD LYS B 40 10.511 16.690 18.237 1.00 2.05 C ATOM 2157 CE LYS B 40 10.421 18.115 18.823 1.00 2.30 C ATOM 2158 NZ LYS B 40 11.515 19.035 18.414 1.00 2.37 N ATOM 0 H LYS B 40 11.438 14.538 14.556 1.00 1.25 H new ATOM 0 HA LYS B 40 11.290 14.177 17.462 1.00 1.42 H new ATOM 0 HB2 LYS B 40 9.574 15.344 15.211 1.00 1.46 H new ATOM 0 HB3 LYS B 40 8.908 15.097 16.813 1.00 1.46 H new ATOM 0 HG2 LYS B 40 11.419 16.751 16.289 1.00 1.49 H new ATOM 0 HG3 LYS B 40 9.810 17.444 16.349 1.00 1.49 H new ATOM 0 HD2 LYS B 40 9.708 16.086 18.660 1.00 2.05 H new ATOM 0 HD3 LYS B 40 11.451 16.239 18.555 1.00 2.05 H new ATOM 0 HE2 LYS B 40 9.468 18.554 18.526 1.00 2.30 H new ATOM 0 HE3 LYS B 40 10.414 18.044 19.911 1.00 2.30 H new ATOM 0 HZ1 LYS B 40 11.114 19.962 18.167 1.00 2.37 H new ATOM 0 HZ2 LYS B 40 12.187 19.146 19.200 1.00 2.37 H new ATOM 0 HZ3 LYS B 40 12.010 18.641 17.589 1.00 2.37 H new ATOM 2172 N GLU B 41 9.859 12.223 15.295 1.00 1.71 N ATOM 2173 CA GLU B 41 9.252 10.921 14.990 1.00 2.05 C ATOM 2174 C GLU B 41 10.053 9.704 15.495 1.00 1.82 C ATOM 2175 O GLU B 41 9.453 8.640 15.658 1.00 2.09 O ATOM 2176 CB GLU B 41 9.074 10.789 13.467 1.00 2.75 C ATOM 2177 CG GLU B 41 7.909 11.625 12.926 1.00 2.50 C ATOM 2178 CD GLU B 41 7.809 11.583 11.399 1.00 4.14 C ATOM 2179 OE1 GLU B 41 8.862 11.453 10.739 1.00 5.44 O ATOM 2180 OE2 GLU B 41 6.674 11.734 10.898 1.00 4.82 O ATOM 0 H GLU B 41 10.158 12.703 14.446 1.00 1.71 H new ATOM 0 HA GLU B 41 8.299 10.908 15.520 1.00 2.05 H new ATOM 0 HB2 GLU B 41 9.995 11.095 12.971 1.00 2.75 H new ATOM 0 HB3 GLU B 41 8.910 9.741 13.215 1.00 2.75 H new ATOM 0 HG2 GLU B 41 6.976 11.262 13.357 1.00 2.50 H new ATOM 0 HG3 GLU B 41 8.028 12.659 13.250 1.00 2.50 H new ATOM 2187 N LEU B 42 11.363 9.849 15.761 1.00 1.60 N ATOM 2188 CA LEU B 42 12.274 8.787 16.227 1.00 1.68 C ATOM 2189 C LEU B 42 13.552 9.326 16.909 1.00 1.61 C ATOM 2190 O LEU B 42 14.124 10.361 16.538 1.00 1.62 O ATOM 2191 CB LEU B 42 12.652 7.870 15.037 1.00 2.05 C ATOM 2192 CG LEU B 42 11.930 6.506 14.997 1.00 1.89 C ATOM 2193 CD1 LEU B 42 12.219 5.818 13.654 1.00 2.22 C ATOM 2194 CD2 LEU B 42 12.385 5.591 16.141 1.00 2.87 C ATOM 0 H LEU B 42 11.836 10.746 15.653 1.00 1.60 H new ATOM 0 HA LEU B 42 11.737 8.222 16.989 1.00 1.68 H new ATOM 0 HB2 LEU B 42 12.440 8.401 14.109 1.00 2.05 H new ATOM 0 HB3 LEU B 42 13.727 7.692 15.064 1.00 2.05 H new ATOM 0 HG LEU B 42 10.861 6.686 15.112 1.00 1.89 H new ATOM 0 HD11 LEU B 42 11.711 4.854 13.622 1.00 2.22 H new ATOM 0 HD12 LEU B 42 11.859 6.445 12.839 1.00 2.22 H new ATOM 0 HD13 LEU B 42 13.293 5.665 13.547 1.00 2.22 H new ATOM 0 HD21 LEU B 42 11.855 4.641 16.080 1.00 2.87 H new ATOM 0 HD22 LEU B 42 13.458 5.414 16.061 1.00 2.87 H new ATOM 0 HD23 LEU B 42 12.166 6.067 17.097 1.00 2.87 H new ATOM 2206 N CYS B 43 14.079 8.557 17.863 1.00 1.82 N ATOM 2207 CA CYS B 43 15.368 8.767 18.524 1.00 1.94 C ATOM 2208 C CYS B 43 16.548 8.235 17.690 1.00 2.11 C ATOM 2209 O CYS B 43 17.417 7.513 18.169 1.00 3.23 O ATOM 2210 CB CYS B 43 15.307 8.200 19.947 1.00 2.25 C ATOM 2211 SG CYS B 43 16.716 8.836 20.906 1.00 3.43 S ATOM 0 H CYS B 43 13.595 7.730 18.213 1.00 1.82 H new ATOM 0 HA CYS B 43 15.560 9.837 18.605 1.00 1.94 H new ATOM 0 HB2 CYS B 43 14.369 8.484 20.424 1.00 2.25 H new ATOM 0 HB3 CYS B 43 15.333 7.111 19.919 1.00 2.25 H new ATOM 0 HG CYS B 43 16.668 8.360 22.115 1.00 3.43 H new ATOM 2217 N LEU B 44 16.643 8.672 16.428 1.00 1.95 N ATOM 2218 CA LEU B 44 17.898 8.545 15.676 1.00 2.57 C ATOM 2219 C LEU B 44 19.008 9.326 16.392 1.00 2.83 C ATOM 2220 O LEU B 44 18.962 10.559 16.421 1.00 3.93 O ATOM 2221 CB LEU B 44 17.772 9.007 14.214 1.00 3.29 C ATOM 2222 CG LEU B 44 16.633 8.358 13.404 1.00 3.28 C ATOM 2223 CD1 LEU B 44 15.414 9.283 13.337 1.00 3.97 C ATOM 2224 CD2 LEU B 44 17.096 8.078 11.975 1.00 4.31 C ATOM 0 H LEU B 44 15.879 9.110 15.913 1.00 1.95 H new ATOM 0 HA LEU B 44 18.150 7.485 15.642 1.00 2.57 H new ATOM 0 HB2 LEU B 44 17.630 10.088 14.205 1.00 3.29 H new ATOM 0 HB3 LEU B 44 18.715 8.805 13.706 1.00 3.29 H new ATOM 0 HG LEU B 44 16.361 7.429 13.904 1.00 3.28 H new ATOM 0 HD11 LEU B 44 14.624 8.802 12.760 1.00 3.97 H new ATOM 0 HD12 LEU B 44 15.055 9.485 14.346 1.00 3.97 H new ATOM 0 HD13 LEU B 44 15.695 10.221 12.857 1.00 3.97 H new ATOM 0 HD21 LEU B 44 16.283 7.619 11.412 1.00 4.31 H new ATOM 0 HD22 LEU B 44 17.386 9.013 11.497 1.00 4.31 H new ATOM 0 HD23 LEU B 44 17.950 7.401 11.995 1.00 4.31 H new ATOM 2236 N GLY B 45 19.960 8.608 16.984 1.00 2.82 N ATOM 2237 CA GLY B 45 21.153 9.149 17.633 1.00 3.22 C ATOM 2238 C GLY B 45 22.311 8.173 17.490 1.00 3.08 C ATOM 2239 O GLY B 45 23.074 8.241 16.531 1.00 3.81 O ATOM 0 H GLY B 45 19.920 7.590 17.027 1.00 2.82 H new ATOM 0 HA2 GLY B 45 21.417 10.107 17.186 1.00 3.22 H new ATOM 0 HA3 GLY B 45 20.951 9.334 18.688 1.00 3.22 H new ATOM 2242 N GLU B 46 22.382 7.218 18.408 1.00 2.88 N ATOM 2243 CA GLU B 46 23.335 6.103 18.482 1.00 3.27 C ATOM 2244 C GLU B 46 23.048 4.970 17.465 1.00 3.06 C ATOM 2245 O GLU B 46 23.185 3.783 17.756 1.00 3.82 O ATOM 2246 CB GLU B 46 23.447 5.621 19.945 1.00 4.09 C ATOM 2247 CG GLU B 46 22.115 5.350 20.671 1.00 4.04 C ATOM 2248 CD GLU B 46 21.536 6.627 21.297 1.00 4.49 C ATOM 2249 OE1 GLU B 46 21.927 6.938 22.440 1.00 5.79 O ATOM 2250 OE2 GLU B 46 20.769 7.318 20.589 1.00 4.33 O ATOM 0 H GLU B 46 21.723 7.196 19.187 1.00 2.88 H new ATOM 0 HA GLU B 46 24.314 6.468 18.173 1.00 3.27 H new ATOM 0 HB2 GLU B 46 24.039 4.706 19.961 1.00 4.09 H new ATOM 0 HB3 GLU B 46 24.001 6.369 20.512 1.00 4.09 H new ATOM 0 HG2 GLU B 46 21.396 4.932 19.967 1.00 4.04 H new ATOM 0 HG3 GLU B 46 22.271 4.602 21.449 1.00 4.04 H new ATOM 2257 N MET B 47 22.654 5.344 16.246 1.00 2.72 N ATOM 2258 CA MET B 47 22.394 4.446 15.114 1.00 2.87 C ATOM 2259 C MET B 47 23.047 4.997 13.831 1.00 2.63 C ATOM 2260 O MET B 47 24.088 5.644 13.895 1.00 3.04 O ATOM 2261 CB MET B 47 20.886 4.172 15.006 1.00 3.16 C ATOM 2262 CG MET B 47 20.037 5.426 14.755 1.00 4.05 C ATOM 2263 SD MET B 47 18.304 5.060 14.387 1.00 4.33 S ATOM 2264 CE MET B 47 17.790 4.524 16.039 1.00 2.75 C ATOM 0 H MET B 47 22.500 6.324 16.008 1.00 2.72 H new ATOM 0 HA MET B 47 22.862 3.475 15.276 1.00 2.87 H new ATOM 0 HB2 MET B 47 20.714 3.462 14.197 1.00 3.16 H new ATOM 0 HB3 MET B 47 20.547 3.695 15.926 1.00 3.16 H new ATOM 0 HG2 MET B 47 20.086 6.070 15.633 1.00 4.05 H new ATOM 0 HG3 MET B 47 20.466 5.986 13.924 1.00 4.05 H new ATOM 0 HE1 MET B 47 16.704 4.439 16.072 1.00 2.75 H new ATOM 0 HE2 MET B 47 18.237 3.555 16.263 1.00 2.75 H new ATOM 0 HE3 MET B 47 18.119 5.255 16.778 1.00 2.75 H new ATOM 2274 N LYS B 48 22.453 4.778 12.650 1.00 2.72 N ATOM 2275 CA LYS B 48 22.847 5.515 11.443 1.00 2.68 C ATOM 2276 C LYS B 48 22.571 7.027 11.584 1.00 2.31 C ATOM 2277 O LYS B 48 21.697 7.448 12.342 1.00 2.40 O ATOM 2278 CB LYS B 48 22.227 4.866 10.190 1.00 3.30 C ATOM 2279 CG LYS B 48 23.094 3.712 9.665 1.00 4.30 C ATOM 2280 CD LYS B 48 22.918 2.418 10.473 1.00 4.09 C ATOM 2281 CE LYS B 48 22.415 1.323 9.541 1.00 5.19 C ATOM 2282 NZ LYS B 48 23.465 0.592 8.805 1.00 6.58 N ATOM 0 H LYS B 48 21.703 4.101 12.506 1.00 2.72 H new ATOM 0 HA LYS B 48 23.927 5.443 11.315 1.00 2.68 H new ATOM 0 HB2 LYS B 48 21.230 4.494 10.427 1.00 3.30 H new ATOM 0 HB3 LYS B 48 22.110 5.618 9.410 1.00 3.30 H new ATOM 0 HG2 LYS B 48 22.842 3.520 8.622 1.00 4.30 H new ATOM 0 HG3 LYS B 48 24.142 4.011 9.690 1.00 4.30 H new ATOM 0 HD2 LYS B 48 23.865 2.123 10.925 1.00 4.09 H new ATOM 0 HD3 LYS B 48 22.211 2.575 11.288 1.00 4.09 H new ATOM 0 HE2 LYS B 48 21.838 0.607 10.126 1.00 5.19 H new ATOM 0 HE3 LYS B 48 21.731 1.769 8.819 1.00 5.19 H new ATOM 0 HZ1 LYS B 48 23.026 -0.130 8.199 1.00 6.58 H new ATOM 0 HZ2 LYS B 48 24.003 1.258 8.215 1.00 6.58 H new ATOM 0 HZ3 LYS B 48 24.107 0.132 9.482 1.00 6.58 H new ATOM 2296 N GLU B 49 23.368 7.817 10.874 1.00 2.78 N ATOM 2297 CA GLU B 49 23.915 9.097 11.342 1.00 2.69 C ATOM 2298 C GLU B 49 24.111 10.055 10.148 1.00 2.81 C ATOM 2299 O GLU B 49 23.124 10.552 9.627 1.00 3.68 O ATOM 2300 CB GLU B 49 25.190 8.847 12.187 1.00 3.29 C ATOM 2301 CG GLU B 49 26.081 7.664 11.756 1.00 4.31 C ATOM 2302 CD GLU B 49 26.424 7.690 10.269 1.00 5.51 C ATOM 2303 OE1 GLU B 49 25.587 7.237 9.451 1.00 6.17 O ATOM 2304 OE2 GLU B 49 27.398 8.376 9.908 1.00 6.29 O ATOM 0 H GLU B 49 23.664 7.582 9.927 1.00 2.78 H new ATOM 0 HA GLU B 49 23.213 9.599 12.008 1.00 2.69 H new ATOM 0 HB2 GLU B 49 25.795 9.754 12.169 1.00 3.29 H new ATOM 0 HB3 GLU B 49 24.887 8.687 13.222 1.00 3.29 H new ATOM 0 HG2 GLU B 49 27.003 7.680 12.337 1.00 4.31 H new ATOM 0 HG3 GLU B 49 25.573 6.729 11.990 1.00 4.31 H new ATOM 2311 N SER B 50 25.324 10.295 9.632 1.00 2.75 N ATOM 2312 CA SER B 50 25.505 10.924 8.314 1.00 3.01 C ATOM 2313 C SER B 50 24.731 10.189 7.206 1.00 2.60 C ATOM 2314 O SER B 50 24.161 10.827 6.330 1.00 3.72 O ATOM 2315 CB SER B 50 26.999 11.015 7.964 1.00 3.82 C ATOM 2316 OG SER B 50 27.615 9.748 7.762 1.00 3.40 O ATOM 0 H SER B 50 26.196 10.063 10.107 1.00 2.75 H new ATOM 0 HA SER B 50 25.093 11.931 8.376 1.00 3.01 H new ATOM 0 HB2 SER B 50 27.116 11.615 7.061 1.00 3.82 H new ATOM 0 HB3 SER B 50 27.520 11.539 8.765 1.00 3.82 H new ATOM 0 HG SER B 50 27.254 9.102 8.405 1.00 3.40 H new ATOM 2322 N SER B 51 24.575 8.865 7.301 1.00 1.63 N ATOM 2323 CA SER B 51 23.735 8.098 6.380 1.00 1.52 C ATOM 2324 C SER B 51 22.217 8.390 6.497 1.00 1.41 C ATOM 2325 O SER B 51 21.430 7.771 5.772 1.00 1.97 O ATOM 2326 CB SER B 51 24.018 6.600 6.593 1.00 1.93 C ATOM 2327 OG SER B 51 23.233 5.788 5.735 1.00 2.32 O ATOM 0 H SER B 51 25.027 8.297 8.018 1.00 1.63 H new ATOM 0 HA SER B 51 24.000 8.410 5.370 1.00 1.52 H new ATOM 0 HB2 SER B 51 25.075 6.401 6.415 1.00 1.93 H new ATOM 0 HB3 SER B 51 23.814 6.336 7.631 1.00 1.93 H new ATOM 0 HG SER B 51 22.406 6.260 5.505 1.00 2.32 H new ATOM 2333 N ILE B 52 21.783 9.291 7.385 1.00 1.31 N ATOM 2334 CA ILE B 52 20.433 9.890 7.340 1.00 1.29 C ATOM 2335 C ILE B 52 20.480 11.420 7.235 1.00 1.22 C ATOM 2336 O ILE B 52 19.599 12.010 6.605 1.00 1.31 O ATOM 2337 CB ILE B 52 19.530 9.397 8.505 1.00 1.55 C ATOM 2338 CG1 ILE B 52 19.733 10.079 9.879 1.00 1.91 C ATOM 2339 CG2 ILE B 52 19.629 7.869 8.682 1.00 1.82 C ATOM 2340 CD1 ILE B 52 18.839 11.309 10.098 1.00 2.28 C ATOM 0 H ILE B 52 22.355 9.630 8.159 1.00 1.31 H new ATOM 0 HA ILE B 52 19.964 9.536 6.422 1.00 1.29 H new ATOM 0 HB ILE B 52 18.534 9.696 8.180 1.00 1.55 H new ATOM 0 HG12 ILE B 52 19.536 9.353 10.667 1.00 1.91 H new ATOM 0 HG13 ILE B 52 20.777 10.378 9.975 1.00 1.91 H new ATOM 0 HG21 ILE B 52 18.986 7.556 9.504 1.00 1.82 H new ATOM 0 HG22 ILE B 52 19.311 7.375 7.764 1.00 1.82 H new ATOM 0 HG23 ILE B 52 20.660 7.594 8.903 1.00 1.82 H new ATOM 0 HD11 ILE B 52 19.038 11.733 11.082 1.00 2.28 H new ATOM 0 HD12 ILE B 52 19.052 12.055 9.332 1.00 2.28 H new ATOM 0 HD13 ILE B 52 17.792 11.013 10.035 1.00 2.28 H new ATOM 2352 N ASP B 53 21.489 12.070 7.821 1.00 1.31 N ATOM 2353 CA ASP B 53 21.588 13.526 7.832 1.00 1.52 C ATOM 2354 C ASP B 53 22.209 14.119 6.563 1.00 1.27 C ATOM 2355 O ASP B 53 22.026 15.307 6.333 1.00 1.30 O ATOM 2356 CB ASP B 53 22.192 14.063 9.142 1.00 2.30 C ATOM 2357 CG ASP B 53 21.189 14.997 9.837 1.00 3.49 C ATOM 2358 OD1 ASP B 53 20.291 14.495 10.560 1.00 4.66 O ATOM 2359 OD2 ASP B 53 21.206 16.228 9.606 1.00 3.95 O ATOM 0 H ASP B 53 22.257 11.600 8.299 1.00 1.31 H new ATOM 0 HA ASP B 53 20.562 13.894 7.810 1.00 1.52 H new ATOM 0 HB2 ASP B 53 22.447 13.234 9.802 1.00 2.30 H new ATOM 0 HB3 ASP B 53 23.117 14.600 8.933 1.00 2.30 H new ATOM 2364 N ASP B 54 22.833 13.324 5.686 1.00 1.24 N ATOM 2365 CA ASP B 54 23.114 13.725 4.299 1.00 1.25 C ATOM 2366 C ASP B 54 21.811 13.925 3.506 1.00 1.06 C ATOM 2367 O ASP B 54 21.635 14.929 2.813 1.00 1.13 O ATOM 2368 CB ASP B 54 23.977 12.663 3.603 1.00 1.50 C ATOM 2369 CG ASP B 54 24.374 13.140 2.200 1.00 1.78 C ATOM 2370 OD1 ASP B 54 25.239 14.040 2.107 1.00 2.89 O ATOM 2371 OD2 ASP B 54 23.772 12.620 1.235 1.00 1.89 O ATOM 0 H ASP B 54 23.158 12.385 5.916 1.00 1.24 H new ATOM 0 HA ASP B 54 23.654 14.671 4.328 1.00 1.25 H new ATOM 0 HB2 ASP B 54 24.871 12.465 4.194 1.00 1.50 H new ATOM 0 HB3 ASP B 54 23.427 11.725 3.534 1.00 1.50 H new ATOM 2376 N LEU B 55 20.834 13.023 3.680 1.00 0.94 N ATOM 2377 CA LEU B 55 19.502 13.171 3.084 1.00 1.00 C ATOM 2378 C LEU B 55 18.792 14.400 3.665 1.00 0.94 C ATOM 2379 O LEU B 55 18.147 15.150 2.930 1.00 0.97 O ATOM 2380 CB LEU B 55 18.668 11.888 3.278 1.00 1.10 C ATOM 2381 CG LEU B 55 19.287 10.588 2.736 1.00 1.22 C ATOM 2382 CD1 LEU B 55 18.396 9.397 3.106 1.00 1.33 C ATOM 2383 CD2 LEU B 55 19.482 10.627 1.214 1.00 1.42 C ATOM 0 H LEU B 55 20.946 12.175 4.235 1.00 0.94 H new ATOM 0 HA LEU B 55 19.614 13.326 2.011 1.00 1.00 H new ATOM 0 HB2 LEU B 55 18.480 11.760 4.344 1.00 1.10 H new ATOM 0 HB3 LEU B 55 17.700 12.033 2.798 1.00 1.10 H new ATOM 0 HG LEU B 55 20.271 10.481 3.193 1.00 1.22 H new ATOM 0 HD11 LEU B 55 18.838 8.478 2.720 1.00 1.33 H new ATOM 0 HD12 LEU B 55 18.309 9.331 4.191 1.00 1.33 H new ATOM 0 HD13 LEU B 55 17.406 9.534 2.671 1.00 1.33 H new ATOM 0 HD21 LEU B 55 19.922 9.687 0.879 1.00 1.42 H new ATOM 0 HD22 LEU B 55 18.517 10.770 0.727 1.00 1.42 H new ATOM 0 HD23 LEU B 55 20.146 11.451 0.953 1.00 1.42 H new ATOM 2395 N MET B 56 18.979 14.680 4.960 1.00 0.97 N ATOM 2396 CA MET B 56 18.527 15.933 5.594 1.00 1.09 C ATOM 2397 C MET B 56 19.271 17.162 5.027 1.00 1.10 C ATOM 2398 O MET B 56 18.662 18.211 4.814 1.00 1.27 O ATOM 2399 CB MET B 56 18.695 15.857 7.119 1.00 1.22 C ATOM 2400 CG MET B 56 17.991 14.667 7.812 1.00 1.21 C ATOM 2401 SD MET B 56 16.445 15.025 8.686 1.00 1.52 S ATOM 2402 CE MET B 56 15.267 14.866 7.338 1.00 3.20 C ATOM 0 H MET B 56 19.450 14.044 5.604 1.00 0.97 H new ATOM 0 HA MET B 56 17.469 16.055 5.363 1.00 1.09 H new ATOM 0 HB2 MET B 56 19.760 15.808 7.347 1.00 1.22 H new ATOM 0 HB3 MET B 56 18.318 16.782 7.554 1.00 1.22 H new ATOM 0 HG2 MET B 56 17.786 13.908 7.057 1.00 1.21 H new ATOM 0 HG3 MET B 56 18.689 14.228 8.524 1.00 1.21 H new ATOM 0 HE1 MET B 56 14.436 15.552 7.499 1.00 3.20 H new ATOM 0 HE2 MET B 56 15.759 15.106 6.395 1.00 3.20 H new ATOM 0 HE3 MET B 56 14.891 13.843 7.302 1.00 3.20 H new ATOM 2412 N LYS B 57 20.562 17.041 4.699 1.00 1.02 N ATOM 2413 CA LYS B 57 21.336 18.061 3.983 1.00 1.06 C ATOM 2414 C LYS B 57 20.846 18.236 2.531 1.00 1.06 C ATOM 2415 O LYS B 57 20.899 19.337 1.993 1.00 1.17 O ATOM 2416 CB LYS B 57 22.840 17.701 4.030 1.00 1.11 C ATOM 2417 CG LYS B 57 23.811 18.863 4.303 1.00 1.34 C ATOM 2418 CD LYS B 57 23.803 20.015 3.280 1.00 2.73 C ATOM 2419 CE LYS B 57 22.792 21.136 3.576 1.00 4.17 C ATOM 2420 NZ LYS B 57 23.030 21.803 4.882 1.00 4.87 N ATOM 0 H LYS B 57 21.110 16.212 4.929 1.00 1.02 H new ATOM 0 HA LYS B 57 21.187 19.019 4.481 1.00 1.06 H new ATOM 0 HB2 LYS B 57 22.987 16.944 4.801 1.00 1.11 H new ATOM 0 HB3 LYS B 57 23.112 17.244 3.079 1.00 1.11 H new ATOM 0 HG2 LYS B 57 23.582 19.276 5.285 1.00 1.34 H new ATOM 0 HG3 LYS B 57 24.822 18.459 4.355 1.00 1.34 H new ATOM 0 HD2 LYS B 57 24.802 20.449 3.235 1.00 2.73 H new ATOM 0 HD3 LYS B 57 23.589 19.604 2.293 1.00 2.73 H new ATOM 0 HE2 LYS B 57 22.839 21.880 2.781 1.00 4.17 H new ATOM 0 HE3 LYS B 57 21.784 20.721 3.565 1.00 4.17 H new ATOM 0 HZ1 LYS B 57 22.433 22.652 4.952 1.00 4.87 H new ATOM 0 HZ2 LYS B 57 22.793 21.148 5.654 1.00 4.87 H new ATOM 0 HZ3 LYS B 57 24.031 22.077 4.955 1.00 4.87 H new ATOM 2434 N SER B 58 20.307 17.195 1.906 1.00 1.02 N ATOM 2435 CA SER B 58 19.609 17.265 0.615 1.00 1.10 C ATOM 2436 C SER B 58 18.234 17.967 0.696 1.00 1.12 C ATOM 2437 O SER B 58 17.744 18.525 -0.296 1.00 1.26 O ATOM 2438 CB SER B 58 19.493 15.859 0.018 1.00 1.14 C ATOM 2439 OG SER B 58 19.198 15.960 -1.359 1.00 2.02 O ATOM 0 H SER B 58 20.341 16.250 2.289 1.00 1.02 H new ATOM 0 HA SER B 58 20.208 17.890 -0.047 1.00 1.10 H new ATOM 0 HB2 SER B 58 20.425 15.312 0.163 1.00 1.14 H new ATOM 0 HB3 SER B 58 18.711 15.298 0.529 1.00 1.14 H new ATOM 0 HG SER B 58 19.125 15.062 -1.745 1.00 2.02 H new ATOM 2445 N LEU B 59 17.629 18.044 1.889 1.00 1.07 N ATOM 2446 CA LEU B 59 16.536 18.987 2.147 1.00 1.20 C ATOM 2447 C LEU B 59 17.098 20.414 2.176 1.00 1.32 C ATOM 2448 O LEU B 59 16.735 21.259 1.350 1.00 1.65 O ATOM 2449 CB LEU B 59 15.759 18.631 3.435 1.00 1.27 C ATOM 2450 CG LEU B 59 15.243 17.180 3.534 1.00 1.18 C ATOM 2451 CD1 LEU B 59 14.414 17.043 4.817 1.00 1.34 C ATOM 2452 CD2 LEU B 59 14.396 16.766 2.323 1.00 1.15 C ATOM 0 H LEU B 59 17.879 17.464 2.690 1.00 1.07 H new ATOM 0 HA LEU B 59 15.808 18.919 1.339 1.00 1.20 H new ATOM 0 HB2 LEU B 59 16.405 18.825 4.291 1.00 1.27 H new ATOM 0 HB3 LEU B 59 14.907 19.305 3.520 1.00 1.27 H new ATOM 0 HG LEU B 59 16.108 16.517 3.553 1.00 1.18 H new ATOM 0 HD11 LEU B 59 14.041 16.022 4.902 1.00 1.34 H new ATOM 0 HD12 LEU B 59 15.038 17.275 5.680 1.00 1.34 H new ATOM 0 HD13 LEU B 59 13.572 17.735 4.782 1.00 1.34 H new ATOM 0 HD21 LEU B 59 14.061 15.736 2.448 1.00 1.15 H new ATOM 0 HD22 LEU B 59 13.529 17.422 2.244 1.00 1.15 H new ATOM 0 HD23 LEU B 59 14.995 16.845 1.416 1.00 1.15 H new ATOM 2464 N ASP B 60 18.025 20.665 3.097 1.00 1.20 N ATOM 2465 CA ASP B 60 18.603 21.983 3.382 1.00 1.30 C ATOM 2466 C ASP B 60 19.479 22.567 2.243 1.00 1.28 C ATOM 2467 O ASP B 60 19.832 23.739 2.265 1.00 1.52 O ATOM 2468 CB ASP B 60 19.291 21.911 4.747 1.00 1.43 C ATOM 2469 CG ASP B 60 19.714 23.276 5.297 1.00 2.07 C ATOM 2470 OD1 ASP B 60 18.829 24.153 5.464 1.00 3.25 O ATOM 2471 OD2 ASP B 60 20.924 23.372 5.607 1.00 2.66 O ATOM 0 H ASP B 60 18.411 19.930 3.690 1.00 1.20 H new ATOM 0 HA ASP B 60 17.800 22.719 3.429 1.00 1.30 H new ATOM 0 HB2 ASP B 60 18.616 21.436 5.459 1.00 1.43 H new ATOM 0 HB3 ASP B 60 20.171 21.273 4.667 1.00 1.43 H new ATOM 2476 N LYS B 61 19.769 21.803 1.186 1.00 1.22 N ATOM 2477 CA LYS B 61 20.198 22.292 -0.116 1.00 1.32 C ATOM 2478 C LYS B 61 19.255 23.288 -0.811 1.00 1.34 C ATOM 2479 O LYS B 61 19.741 24.100 -1.599 1.00 1.58 O ATOM 2480 CB LYS B 61 20.348 21.029 -0.977 1.00 1.36 C ATOM 2481 CG LYS B 61 21.796 20.531 -0.983 1.00 1.92 C ATOM 2482 CD LYS B 61 22.460 20.967 -2.284 1.00 2.51 C ATOM 2483 CE LYS B 61 22.545 22.497 -2.464 1.00 4.35 C ATOM 2484 NZ LYS B 61 22.646 22.905 -3.888 1.00 5.88 N ATOM 0 H LYS B 61 19.707 20.786 1.222 1.00 1.22 H new ATOM 0 HA LYS B 61 21.113 22.869 0.017 1.00 1.32 H new ATOM 0 HB2 LYS B 61 19.693 20.246 -0.595 1.00 1.36 H new ATOM 0 HB3 LYS B 61 20.030 21.242 -1.998 1.00 1.36 H new ATOM 0 HG2 LYS B 61 22.338 20.936 -0.128 1.00 1.92 H new ATOM 0 HG3 LYS B 61 21.822 19.445 -0.891 1.00 1.92 H new ATOM 0 HD2 LYS B 61 23.467 20.551 -2.323 1.00 2.51 H new ATOM 0 HD3 LYS B 61 21.907 20.543 -3.122 1.00 2.51 H new ATOM 0 HE2 LYS B 61 21.664 22.960 -2.020 1.00 4.35 H new ATOM 0 HE3 LYS B 61 23.411 22.874 -1.921 1.00 4.35 H new ATOM 0 HZ1 LYS B 61 22.700 23.942 -3.949 1.00 5.88 H new ATOM 0 HZ2 LYS B 61 23.501 22.488 -4.309 1.00 5.88 H new ATOM 0 HZ3 LYS B 61 21.808 22.571 -4.405 1.00 5.88 H new ATOM 2498 N ASN B 62 17.946 23.197 -0.560 1.00 1.23 N ATOM 2499 CA ASN B 62 16.915 24.094 -1.118 1.00 1.46 C ATOM 2500 C ASN B 62 16.183 24.766 0.049 1.00 1.47 C ATOM 2501 O ASN B 62 16.116 25.986 0.154 1.00 2.29 O ATOM 2502 CB ASN B 62 15.943 23.320 -2.051 1.00 1.59 C ATOM 2503 CG ASN B 62 16.581 22.456 -3.147 1.00 1.83 C ATOM 2504 OD1 ASN B 62 17.776 22.215 -3.223 1.00 1.92 O ATOM 2505 ND2 ASN B 62 15.781 21.946 -4.062 1.00 2.91 N ATOM 0 H ASN B 62 17.558 22.480 0.053 1.00 1.23 H new ATOM 0 HA ASN B 62 17.380 24.861 -1.737 1.00 1.46 H new ATOM 0 HB2 ASN B 62 15.317 22.677 -1.432 1.00 1.59 H new ATOM 0 HB3 ASN B 62 15.282 24.043 -2.529 1.00 1.59 H new ATOM 0 HD21 ASN B 62 16.164 21.367 -4.809 1.00 2.91 H new ATOM 0 HD22 ASN B 62 14.779 22.131 -4.023 1.00 2.91 H new ATOM 2512 N SER B 63 15.727 23.933 0.982 1.00 1.12 N ATOM 2513 CA SER B 63 15.594 24.215 2.408 1.00 1.11 C ATOM 2514 C SER B 63 14.263 24.758 2.916 1.00 0.96 C ATOM 2515 O SER B 63 14.006 24.545 4.094 1.00 1.40 O ATOM 2516 CB SER B 63 16.779 25.017 2.931 1.00 1.58 C ATOM 2517 OG SER B 63 16.632 26.421 2.853 1.00 2.16 O ATOM 0 H SER B 63 15.423 22.988 0.748 1.00 1.12 H new ATOM 0 HA SER B 63 15.600 23.216 2.843 1.00 1.11 H new ATOM 0 HB2 SER B 63 16.953 24.742 3.971 1.00 1.58 H new ATOM 0 HB3 SER B 63 17.669 24.728 2.372 1.00 1.58 H new ATOM 0 HG SER B 63 16.420 26.677 1.931 1.00 2.16 H new ATOM 2523 N ASP B 64 13.377 25.323 2.084 1.00 1.01 N ATOM 2524 CA ASP B 64 12.120 25.910 2.608 1.00 1.34 C ATOM 2525 C ASP B 64 10.966 26.022 1.601 1.00 1.22 C ATOM 2526 O ASP B 64 9.862 26.438 1.947 1.00 1.98 O ATOM 2527 CB ASP B 64 12.394 27.246 3.339 1.00 1.90 C ATOM 2528 CG ASP B 64 12.529 27.084 4.862 1.00 3.04 C ATOM 2529 OD1 ASP B 64 11.657 26.412 5.469 1.00 4.10 O ATOM 2530 OD2 ASP B 64 13.500 27.651 5.413 1.00 3.44 O ATOM 0 H ASP B 64 13.494 25.389 1.073 1.00 1.01 H new ATOM 0 HA ASP B 64 11.752 25.182 3.331 1.00 1.34 H new ATOM 0 HB2 ASP B 64 13.309 27.688 2.944 1.00 1.90 H new ATOM 0 HB3 ASP B 64 11.584 27.943 3.124 1.00 1.90 H new ATOM 2535 N GLN B 65 11.163 25.538 0.377 1.00 0.91 N ATOM 2536 CA GLN B 65 10.049 25.050 -0.423 1.00 0.92 C ATOM 2537 C GLN B 65 9.386 23.856 0.262 1.00 0.73 C ATOM 2538 O GLN B 65 10.020 23.108 1.011 1.00 0.89 O ATOM 2539 CB GLN B 65 10.419 24.631 -1.856 1.00 1.40 C ATOM 2540 CG GLN B 65 11.753 23.959 -2.154 1.00 1.68 C ATOM 2541 CD GLN B 65 12.924 24.886 -1.897 1.00 2.35 C ATOM 2542 OE1 GLN B 65 13.534 24.786 -0.850 1.00 3.39 O ATOM 2543 NE2 GLN B 65 13.265 25.813 -2.772 1.00 3.43 N ATOM 0 H GLN B 65 12.074 25.475 -0.076 1.00 0.91 H new ATOM 0 HA GLN B 65 9.372 25.901 -0.501 1.00 0.92 H new ATOM 0 HB2 GLN B 65 9.636 23.957 -2.204 1.00 1.40 H new ATOM 0 HB3 GLN B 65 10.367 25.527 -2.475 1.00 1.40 H new ATOM 0 HG2 GLN B 65 11.855 23.066 -1.537 1.00 1.68 H new ATOM 0 HG3 GLN B 65 11.770 23.632 -3.194 1.00 1.68 H new ATOM 0 HE21 GLN B 65 12.754 25.898 -3.651 1.00 3.43 H new ATOM 0 HE22 GLN B 65 14.040 26.445 -2.570 1.00 3.43 H new ATOM 2552 N GLU B 66 8.114 23.667 -0.084 1.00 0.76 N ATOM 2553 CA GLU B 66 7.314 22.587 0.443 1.00 0.73 C ATOM 2554 C GLU B 66 7.706 21.206 -0.083 1.00 0.73 C ATOM 2555 O GLU B 66 8.179 21.022 -1.207 1.00 0.94 O ATOM 2556 CB GLU B 66 5.820 22.831 0.196 1.00 0.94 C ATOM 2557 CG GLU B 66 5.279 24.035 0.975 1.00 1.21 C ATOM 2558 CD GLU B 66 3.807 24.239 0.639 1.00 1.87 C ATOM 2559 OE1 GLU B 66 3.549 24.718 -0.484 1.00 2.03 O ATOM 2560 OE2 GLU B 66 2.959 23.866 1.484 1.00 3.08 O ATOM 0 H GLU B 66 7.616 24.267 -0.742 1.00 0.76 H new ATOM 0 HA GLU B 66 7.515 22.582 1.514 1.00 0.73 H new ATOM 0 HB2 GLU B 66 5.653 22.989 -0.870 1.00 0.94 H new ATOM 0 HB3 GLU B 66 5.259 21.940 0.478 1.00 0.94 H new ATOM 0 HG2 GLU B 66 5.399 23.872 2.046 1.00 1.21 H new ATOM 0 HG3 GLU B 66 5.848 24.930 0.723 1.00 1.21 H new ATOM 2567 N ILE B 67 7.453 20.240 0.788 1.00 0.70 N ATOM 2568 CA ILE B 67 7.282 18.812 0.500 1.00 0.72 C ATOM 2569 C ILE B 67 5.855 18.385 0.901 1.00 0.73 C ATOM 2570 O ILE B 67 5.266 18.949 1.826 1.00 0.77 O ATOM 2571 CB ILE B 67 8.408 18.020 1.221 1.00 0.83 C ATOM 2572 CG1 ILE B 67 9.710 18.174 0.398 1.00 1.63 C ATOM 2573 CG2 ILE B 67 8.062 16.534 1.431 1.00 1.86 C ATOM 2574 CD1 ILE B 67 10.973 17.678 1.111 1.00 1.82 C ATOM 0 H ILE B 67 7.354 20.440 1.783 1.00 0.70 H new ATOM 0 HA ILE B 67 7.379 18.596 -0.564 1.00 0.72 H new ATOM 0 HB ILE B 67 8.534 18.434 2.221 1.00 0.83 H new ATOM 0 HG12 ILE B 67 9.599 17.629 -0.540 1.00 1.63 H new ATOM 0 HG13 ILE B 67 9.841 19.225 0.142 1.00 1.63 H new ATOM 0 HG21 ILE B 67 8.888 16.036 1.939 1.00 1.86 H new ATOM 0 HG22 ILE B 67 7.161 16.453 2.038 1.00 1.86 H new ATOM 0 HG23 ILE B 67 7.892 16.060 0.464 1.00 1.86 H new ATOM 0 HD11 ILE B 67 11.837 17.824 0.463 1.00 1.82 H new ATOM 0 HD12 ILE B 67 11.113 18.239 2.035 1.00 1.82 H new ATOM 0 HD13 ILE B 67 10.868 16.618 1.343 1.00 1.82 H new ATOM 2586 N ASP B 68 5.316 17.387 0.199 1.00 0.83 N ATOM 2587 CA ASP B 68 4.033 16.739 0.474 1.00 0.97 C ATOM 2588 C ASP B 68 4.191 15.407 1.235 1.00 0.95 C ATOM 2589 O ASP B 68 5.291 14.918 1.502 1.00 1.15 O ATOM 2590 CB ASP B 68 3.283 16.508 -0.856 1.00 1.19 C ATOM 2591 CG ASP B 68 3.642 15.164 -1.507 1.00 1.14 C ATOM 2592 OD1 ASP B 68 4.849 14.908 -1.707 1.00 2.24 O ATOM 2593 OD2 ASP B 68 2.728 14.328 -1.696 1.00 2.19 O ATOM 0 H ASP B 68 5.785 16.990 -0.615 1.00 0.83 H new ATOM 0 HA ASP B 68 3.459 17.403 1.121 1.00 0.97 H new ATOM 0 HB2 ASP B 68 2.209 16.545 -0.675 1.00 1.19 H new ATOM 0 HB3 ASP B 68 3.518 17.317 -1.547 1.00 1.19 H new ATOM 2598 N PHE B 69 3.051 14.778 1.523 1.00 0.89 N ATOM 2599 CA PHE B 69 2.981 13.486 2.194 1.00 0.87 C ATOM 2600 C PHE B 69 3.763 12.362 1.485 1.00 0.83 C ATOM 2601 O PHE B 69 4.317 11.489 2.156 1.00 0.74 O ATOM 2602 CB PHE B 69 1.501 13.103 2.357 1.00 0.99 C ATOM 2603 CG PHE B 69 1.183 12.484 3.702 1.00 1.53 C ATOM 2604 CD1 PHE B 69 1.651 11.193 4.028 1.00 2.94 C ATOM 2605 CD2 PHE B 69 0.449 13.217 4.646 1.00 2.47 C ATOM 2606 CE1 PHE B 69 1.387 10.647 5.291 1.00 3.95 C ATOM 2607 CE2 PHE B 69 0.191 12.672 5.913 1.00 3.23 C ATOM 2608 CZ PHE B 69 0.665 11.391 6.234 1.00 3.68 C ATOM 0 H PHE B 69 2.135 15.162 1.291 1.00 0.89 H new ATOM 0 HA PHE B 69 3.466 13.595 3.164 1.00 0.87 H new ATOM 0 HB2 PHE B 69 0.886 13.993 2.221 1.00 0.99 H new ATOM 0 HB3 PHE B 69 1.226 12.402 1.569 1.00 0.99 H new ATOM 0 HD1 PHE B 69 2.214 10.625 3.302 1.00 2.94 H new ATOM 0 HD2 PHE B 69 0.082 14.202 4.397 1.00 2.47 H new ATOM 0 HE1 PHE B 69 1.739 9.656 5.537 1.00 3.95 H new ATOM 0 HE2 PHE B 69 -0.372 13.238 6.640 1.00 3.23 H new ATOM 0 HZ PHE B 69 0.473 10.976 7.212 1.00 3.68 H new ATOM 2618 N LYS B 70 3.847 12.324 0.147 1.00 0.99 N ATOM 2619 CA LYS B 70 4.469 11.215 -0.582 1.00 1.09 C ATOM 2620 C LYS B 70 5.961 11.155 -0.286 1.00 1.07 C ATOM 2621 O LYS B 70 6.498 10.127 0.141 1.00 1.12 O ATOM 2622 CB LYS B 70 4.229 11.445 -2.079 1.00 1.16 C ATOM 2623 CG LYS B 70 4.859 10.385 -2.967 1.00 1.14 C ATOM 2624 CD LYS B 70 4.740 10.873 -4.414 1.00 1.83 C ATOM 2625 CE LYS B 70 5.415 9.833 -5.287 1.00 3.13 C ATOM 2626 NZ LYS B 70 6.883 10.046 -5.383 1.00 4.47 N ATOM 0 H LYS B 70 3.485 13.062 -0.457 1.00 0.99 H new ATOM 0 HA LYS B 70 4.032 10.266 -0.271 1.00 1.09 H new ATOM 0 HB2 LYS B 70 3.156 11.472 -2.266 1.00 1.16 H new ATOM 0 HB3 LYS B 70 4.626 12.422 -2.356 1.00 1.16 H new ATOM 0 HG2 LYS B 70 5.904 10.230 -2.698 1.00 1.14 H new ATOM 0 HG3 LYS B 70 4.353 9.428 -2.841 1.00 1.14 H new ATOM 0 HD2 LYS B 70 3.694 10.994 -4.696 1.00 1.83 H new ATOM 0 HD3 LYS B 70 5.217 11.846 -4.534 1.00 1.83 H new ATOM 0 HE2 LYS B 70 5.220 8.840 -4.883 1.00 3.13 H new ATOM 0 HE3 LYS B 70 4.980 9.862 -6.286 1.00 3.13 H new ATOM 0 HZ1 LYS B 70 7.289 9.365 -6.056 1.00 4.47 H new ATOM 0 HZ2 LYS B 70 7.073 11.014 -5.713 1.00 4.47 H new ATOM 0 HZ3 LYS B 70 7.316 9.909 -4.447 1.00 4.47 H new ATOM 2640 N GLU B 71 6.619 12.283 -0.512 1.00 1.02 N ATOM 2641 CA GLU B 71 8.070 12.361 -0.540 1.00 1.07 C ATOM 2642 C GLU B 71 8.623 12.407 0.895 1.00 0.71 C ATOM 2643 O GLU B 71 9.727 11.946 1.166 1.00 0.78 O ATOM 2644 CB GLU B 71 8.486 13.503 -1.479 1.00 1.64 C ATOM 2645 CG GLU B 71 7.719 13.477 -2.827 1.00 2.33 C ATOM 2646 CD GLU B 71 8.035 12.305 -3.766 1.00 4.30 C ATOM 2647 OE1 GLU B 71 8.261 11.160 -3.311 1.00 5.49 O ATOM 2648 OE2 GLU B 71 7.863 12.468 -4.997 1.00 5.41 O ATOM 0 H GLU B 71 6.156 13.176 -0.682 1.00 1.02 H new ATOM 0 HA GLU B 71 8.527 11.467 -0.963 1.00 1.07 H new ATOM 0 HB2 GLU B 71 8.310 14.458 -0.984 1.00 1.64 H new ATOM 0 HB3 GLU B 71 9.557 13.437 -1.673 1.00 1.64 H new ATOM 0 HG2 GLU B 71 6.650 13.465 -2.613 1.00 2.33 H new ATOM 0 HG3 GLU B 71 7.927 14.406 -3.357 1.00 2.33 H new ATOM 2655 N TYR B 72 7.771 12.789 1.850 1.00 0.56 N ATOM 2656 CA TYR B 72 7.941 12.484 3.276 1.00 0.55 C ATOM 2657 C TYR B 72 7.946 10.962 3.549 1.00 0.53 C ATOM 2658 O TYR B 72 8.869 10.423 4.164 1.00 0.62 O ATOM 2659 CB TYR B 72 6.801 13.194 4.023 1.00 0.54 C ATOM 2660 CG TYR B 72 6.357 12.565 5.330 1.00 0.57 C ATOM 2661 CD1 TYR B 72 7.220 12.539 6.439 1.00 2.11 C ATOM 2662 CD2 TYR B 72 5.062 12.025 5.443 1.00 2.04 C ATOM 2663 CE1 TYR B 72 6.770 12.036 7.669 1.00 2.12 C ATOM 2664 CE2 TYR B 72 4.609 11.510 6.671 1.00 2.13 C ATOM 2665 CZ TYR B 72 5.457 11.537 7.795 1.00 0.85 C ATOM 2666 OH TYR B 72 4.982 11.125 8.998 1.00 1.04 O ATOM 0 H TYR B 72 6.928 13.329 1.652 1.00 0.56 H new ATOM 0 HA TYR B 72 8.910 12.841 3.626 1.00 0.55 H new ATOM 0 HB2 TYR B 72 7.111 14.219 4.225 1.00 0.54 H new ATOM 0 HB3 TYR B 72 5.938 13.247 3.359 1.00 0.54 H new ATOM 0 HD1 TYR B 72 8.231 12.907 6.344 1.00 2.11 H new ATOM 0 HD2 TYR B 72 4.412 12.006 4.581 1.00 2.04 H new ATOM 0 HE1 TYR B 72 7.432 12.031 8.523 1.00 2.12 H new ATOM 0 HE2 TYR B 72 3.615 11.096 6.752 1.00 2.13 H new ATOM 0 HH TYR B 72 5.728 11.010 9.622 1.00 1.04 H new ATOM 2676 N SER B 73 6.926 10.249 3.071 1.00 0.53 N ATOM 2677 CA SER B 73 6.756 8.806 3.294 1.00 0.62 C ATOM 2678 C SER B 73 7.870 7.959 2.663 1.00 0.60 C ATOM 2679 O SER B 73 8.337 7.008 3.304 1.00 0.60 O ATOM 2680 CB SER B 73 5.377 8.388 2.798 1.00 0.79 C ATOM 2681 OG SER B 73 5.035 7.118 3.312 1.00 2.38 O ATOM 0 H SER B 73 6.181 10.661 2.509 1.00 0.53 H new ATOM 0 HA SER B 73 6.833 8.618 4.365 1.00 0.62 H new ATOM 0 HB2 SER B 73 4.634 9.124 3.105 1.00 0.79 H new ATOM 0 HB3 SER B 73 5.368 8.361 1.708 1.00 0.79 H new ATOM 0 HG SER B 73 4.263 6.764 2.823 1.00 2.38 H new ATOM 2687 N VAL B 74 8.376 8.310 1.469 1.00 0.61 N ATOM 2688 CA VAL B 74 9.548 7.629 0.892 1.00 0.67 C ATOM 2689 C VAL B 74 10.836 7.930 1.655 1.00 0.62 C ATOM 2690 O VAL B 74 11.697 7.063 1.683 1.00 0.65 O ATOM 2691 CB VAL B 74 9.781 7.873 -0.614 1.00 0.81 C ATOM 2692 CG1 VAL B 74 8.508 7.641 -1.425 1.00 0.94 C ATOM 2693 CG2 VAL B 74 10.406 9.233 -0.946 1.00 0.73 C ATOM 0 H VAL B 74 7.995 9.056 0.887 1.00 0.61 H new ATOM 0 HA VAL B 74 9.292 6.575 1.001 1.00 0.67 H new ATOM 0 HB VAL B 74 10.523 7.131 -0.908 1.00 0.81 H new ATOM 0 HG11 VAL B 74 8.711 7.822 -2.480 1.00 0.94 H new ATOM 0 HG12 VAL B 74 8.174 6.612 -1.291 1.00 0.94 H new ATOM 0 HG13 VAL B 74 7.729 8.323 -1.083 1.00 0.94 H new ATOM 0 HG21 VAL B 74 10.535 9.321 -2.025 1.00 0.73 H new ATOM 0 HG22 VAL B 74 9.752 10.030 -0.593 1.00 0.73 H new ATOM 0 HG23 VAL B 74 11.377 9.317 -0.457 1.00 0.73 H new ATOM 2703 N PHE B 75 10.984 9.097 2.297 1.00 0.58 N ATOM 2704 CA PHE B 75 12.151 9.415 3.124 1.00 0.58 C ATOM 2705 C PHE B 75 12.141 8.560 4.400 1.00 0.57 C ATOM 2706 O PHE B 75 13.122 7.877 4.683 1.00 0.64 O ATOM 2707 CB PHE B 75 12.171 10.928 3.395 1.00 0.60 C ATOM 2708 CG PHE B 75 13.503 11.497 3.853 1.00 0.70 C ATOM 2709 CD1 PHE B 75 14.049 11.127 5.095 1.00 1.65 C ATOM 2710 CD2 PHE B 75 14.169 12.460 3.066 1.00 2.34 C ATOM 2711 CE1 PHE B 75 15.209 11.757 5.577 1.00 1.62 C ATOM 2712 CE2 PHE B 75 15.331 13.084 3.545 1.00 2.43 C ATOM 2713 CZ PHE B 75 15.843 12.741 4.806 1.00 0.92 C ATOM 0 H PHE B 75 10.295 9.848 2.256 1.00 0.58 H new ATOM 0 HA PHE B 75 13.077 9.168 2.605 1.00 0.58 H new ATOM 0 HB2 PHE B 75 11.869 11.446 2.484 1.00 0.60 H new ATOM 0 HB3 PHE B 75 11.421 11.153 4.153 1.00 0.60 H new ATOM 0 HD1 PHE B 75 13.574 10.354 5.682 1.00 1.65 H new ATOM 0 HD2 PHE B 75 13.783 12.718 2.091 1.00 2.34 H new ATOM 0 HE1 PHE B 75 15.612 11.483 6.541 1.00 1.62 H new ATOM 0 HE2 PHE B 75 15.831 13.828 2.943 1.00 2.43 H new ATOM 0 HZ PHE B 75 16.726 13.236 5.183 1.00 0.92 H new ATOM 2723 N LEU B 76 11.005 8.492 5.111 1.00 0.53 N ATOM 2724 CA LEU B 76 10.788 7.554 6.227 1.00 0.54 C ATOM 2725 C LEU B 76 11.010 6.094 5.820 1.00 0.56 C ATOM 2726 O LEU B 76 11.721 5.360 6.509 1.00 0.60 O ATOM 2727 CB LEU B 76 9.348 7.704 6.749 1.00 0.54 C ATOM 2728 CG LEU B 76 9.137 8.826 7.779 1.00 0.60 C ATOM 2729 CD1 LEU B 76 7.632 8.918 8.036 1.00 1.05 C ATOM 2730 CD2 LEU B 76 9.883 8.526 9.088 1.00 1.23 C ATOM 0 H LEU B 76 10.202 9.093 4.926 1.00 0.53 H new ATOM 0 HA LEU B 76 11.515 7.802 7.000 1.00 0.54 H new ATOM 0 HB2 LEU B 76 8.688 7.883 5.900 1.00 0.54 H new ATOM 0 HB3 LEU B 76 9.041 6.759 7.197 1.00 0.54 H new ATOM 0 HG LEU B 76 9.530 9.768 7.397 1.00 0.60 H new ATOM 0 HD11 LEU B 76 7.435 9.705 8.764 1.00 1.05 H new ATOM 0 HD12 LEU B 76 7.117 9.149 7.103 1.00 1.05 H new ATOM 0 HD13 LEU B 76 7.270 7.966 8.424 1.00 1.05 H new ATOM 0 HD21 LEU B 76 9.715 9.337 9.797 1.00 1.23 H new ATOM 0 HD22 LEU B 76 9.514 7.592 9.511 1.00 1.23 H new ATOM 0 HD23 LEU B 76 10.950 8.436 8.886 1.00 1.23 H new ATOM 2742 N THR B 77 10.439 5.675 4.688 1.00 0.58 N ATOM 2743 CA THR B 77 10.566 4.307 4.151 1.00 0.64 C ATOM 2744 C THR B 77 12.011 3.998 3.761 1.00 0.74 C ATOM 2745 O THR B 77 12.501 2.901 4.032 1.00 0.89 O ATOM 2746 CB THR B 77 9.617 4.134 2.964 1.00 0.70 C ATOM 2747 OG1 THR B 77 8.305 4.322 3.440 1.00 0.70 O ATOM 2748 CG2 THR B 77 9.714 2.742 2.332 1.00 0.86 C ATOM 0 H THR B 77 9.864 6.283 4.105 1.00 0.58 H new ATOM 0 HA THR B 77 10.288 3.595 4.928 1.00 0.64 H new ATOM 0 HB THR B 77 9.888 4.859 2.196 1.00 0.70 H new ATOM 0 HG1 THR B 77 8.177 5.262 3.684 1.00 0.70 H new ATOM 0 HG21 THR B 77 9.020 2.673 1.495 1.00 0.86 H new ATOM 0 HG22 THR B 77 10.730 2.574 1.975 1.00 0.86 H new ATOM 0 HG23 THR B 77 9.461 1.986 3.076 1.00 0.86 H new ATOM 2756 N MET B 78 12.713 4.968 3.173 1.00 0.71 N ATOM 2757 CA MET B 78 14.148 4.906 2.882 1.00 0.77 C ATOM 2758 C MET B 78 14.961 4.740 4.162 1.00 0.81 C ATOM 2759 O MET B 78 15.797 3.845 4.207 1.00 0.96 O ATOM 2760 CB MET B 78 14.555 6.152 2.074 1.00 0.72 C ATOM 2761 CG MET B 78 16.058 6.298 1.822 1.00 0.86 C ATOM 2762 SD MET B 78 16.513 7.448 0.493 1.00 1.11 S ATOM 2763 CE MET B 78 15.277 8.766 0.661 1.00 1.09 C ATOM 0 H MET B 78 12.286 5.846 2.877 1.00 0.71 H new ATOM 0 HA MET B 78 14.363 4.027 2.275 1.00 0.77 H new ATOM 0 HB2 MET B 78 14.042 6.127 1.113 1.00 0.72 H new ATOM 0 HB3 MET B 78 14.202 7.039 2.600 1.00 0.72 H new ATOM 0 HG2 MET B 78 16.534 6.629 2.745 1.00 0.86 H new ATOM 0 HG3 MET B 78 16.467 5.316 1.586 1.00 0.86 H new ATOM 0 HE1 MET B 78 15.554 9.608 0.026 1.00 1.09 H new ATOM 0 HE2 MET B 78 14.300 8.389 0.359 1.00 1.09 H new ATOM 0 HE3 MET B 78 15.234 9.094 1.700 1.00 1.09 H new ATOM 2773 N LEU B 79 14.694 5.522 5.214 1.00 0.73 N ATOM 2774 CA LEU B 79 15.362 5.406 6.516 1.00 0.80 C ATOM 2775 C LEU B 79 15.103 4.072 7.220 1.00 0.82 C ATOM 2776 O LEU B 79 16.057 3.452 7.683 1.00 0.92 O ATOM 2777 CB LEU B 79 14.973 6.617 7.384 1.00 0.82 C ATOM 2778 CG LEU B 79 16.046 7.725 7.392 1.00 1.45 C ATOM 2779 CD1 LEU B 79 16.558 8.109 5.994 1.00 3.09 C ATOM 2780 CD2 LEU B 79 15.481 8.947 8.127 1.00 1.63 C ATOM 0 H LEU B 79 13.996 6.266 5.184 1.00 0.73 H new ATOM 0 HA LEU B 79 16.439 5.414 6.348 1.00 0.80 H new ATOM 0 HB2 LEU B 79 14.034 7.032 7.018 1.00 0.82 H new ATOM 0 HB3 LEU B 79 14.797 6.282 8.406 1.00 0.82 H new ATOM 0 HG LEU B 79 16.920 7.333 7.912 1.00 1.45 H new ATOM 0 HD11 LEU B 79 17.309 8.894 6.084 1.00 3.09 H new ATOM 0 HD12 LEU B 79 17.001 7.235 5.516 1.00 3.09 H new ATOM 0 HD13 LEU B 79 15.727 8.471 5.389 1.00 3.09 H new ATOM 0 HD21 LEU B 79 16.228 9.740 8.142 1.00 1.63 H new ATOM 0 HD22 LEU B 79 14.587 9.300 7.613 1.00 1.63 H new ATOM 0 HD23 LEU B 79 15.226 8.670 9.150 1.00 1.63 H new ATOM 2792 N CYS B 80 13.863 3.580 7.227 1.00 0.78 N ATOM 2793 CA CYS B 80 13.546 2.260 7.774 1.00 0.83 C ATOM 2794 C CYS B 80 14.423 1.153 7.146 1.00 0.84 C ATOM 2795 O CYS B 80 15.081 0.411 7.876 1.00 0.86 O ATOM 2796 CB CYS B 80 12.042 2.037 7.587 1.00 0.89 C ATOM 2797 SG CYS B 80 11.597 0.422 8.278 1.00 1.20 S ATOM 0 H CYS B 80 13.056 4.081 6.856 1.00 0.78 H new ATOM 0 HA CYS B 80 13.779 2.213 8.838 1.00 0.83 H new ATOM 0 HB2 CYS B 80 11.479 2.827 8.084 1.00 0.89 H new ATOM 0 HB3 CYS B 80 11.784 2.078 6.529 1.00 0.89 H new ATOM 0 HG CYS B 80 10.321 0.222 8.127 1.00 1.20 H new ATOM 2803 N MET B 81 14.538 1.104 5.814 1.00 0.91 N ATOM 2804 CA MET B 81 15.424 0.159 5.119 1.00 0.95 C ATOM 2805 C MET B 81 16.918 0.544 5.221 1.00 0.94 C ATOM 2806 O MET B 81 17.774 -0.342 5.153 1.00 1.00 O ATOM 2807 CB MET B 81 14.946 -0.014 3.662 1.00 1.15 C ATOM 2808 CG MET B 81 14.078 -1.274 3.472 1.00 2.38 C ATOM 2809 SD MET B 81 12.770 -1.588 4.690 1.00 4.60 S ATOM 2810 CE MET B 81 11.618 -0.245 4.319 1.00 5.44 C ATOM 0 H MET B 81 14.020 1.718 5.186 1.00 0.91 H new ATOM 0 HA MET B 81 15.357 -0.806 5.621 1.00 0.95 H new ATOM 0 HB2 MET B 81 14.375 0.865 3.363 1.00 1.15 H new ATOM 0 HB3 MET B 81 15.812 -0.071 3.003 1.00 1.15 H new ATOM 0 HG2 MET B 81 13.613 -1.216 2.488 1.00 2.38 H new ATOM 0 HG3 MET B 81 14.741 -2.139 3.461 1.00 2.38 H new ATOM 0 HE1 MET B 81 10.608 -0.544 4.601 1.00 5.44 H new ATOM 0 HE2 MET B 81 11.903 0.645 4.881 1.00 5.44 H new ATOM 0 HE3 MET B 81 11.647 -0.025 3.252 1.00 5.44 H new ATOM 2820 N ALA B 82 17.255 1.824 5.436 1.00 1.01 N ATOM 2821 CA ALA B 82 18.631 2.293 5.640 1.00 1.14 C ATOM 2822 C ALA B 82 19.302 1.617 6.847 1.00 1.16 C ATOM 2823 O ALA B 82 20.483 1.277 6.772 1.00 1.59 O ATOM 2824 CB ALA B 82 18.691 3.821 5.784 1.00 1.16 C ATOM 0 H ALA B 82 16.566 2.575 5.473 1.00 1.01 H new ATOM 0 HA ALA B 82 19.188 2.009 4.747 1.00 1.14 H new ATOM 0 HB1 ALA B 82 19.725 4.132 5.934 1.00 1.16 H new ATOM 0 HB2 ALA B 82 18.299 4.287 4.880 1.00 1.16 H new ATOM 0 HB3 ALA B 82 18.092 4.130 6.641 1.00 1.16 H new ATOM 2830 N TYR B 83 18.562 1.394 7.941 1.00 1.04 N ATOM 2831 CA TYR B 83 19.144 0.916 9.201 1.00 1.24 C ATOM 2832 C TYR B 83 18.499 -0.285 9.893 1.00 1.31 C ATOM 2833 O TYR B 83 19.142 -0.817 10.793 1.00 1.83 O ATOM 2834 CB TYR B 83 19.321 2.094 10.168 1.00 1.51 C ATOM 2835 CG TYR B 83 18.093 2.938 10.432 1.00 1.63 C ATOM 2836 CD1 TYR B 83 16.988 2.420 11.140 1.00 1.57 C ATOM 2837 CD2 TYR B 83 18.076 4.268 9.980 1.00 3.25 C ATOM 2838 CE1 TYR B 83 15.849 3.221 11.346 1.00 1.70 C ATOM 2839 CE2 TYR B 83 16.952 5.076 10.197 1.00 3.43 C ATOM 2840 CZ TYR B 83 15.822 4.550 10.864 1.00 2.07 C ATOM 2841 OH TYR B 83 14.716 5.324 11.044 1.00 2.34 O ATOM 0 H TYR B 83 17.553 1.538 7.978 1.00 1.04 H new ATOM 0 HA TYR B 83 20.102 0.496 8.895 1.00 1.24 H new ATOM 0 HB2 TYR B 83 19.678 1.703 11.121 1.00 1.51 H new ATOM 0 HB3 TYR B 83 20.104 2.743 9.776 1.00 1.51 H new ATOM 0 HD1 TYR B 83 17.016 1.411 11.523 1.00 1.57 H new ATOM 0 HD2 TYR B 83 18.934 4.670 9.462 1.00 3.25 H new ATOM 0 HE1 TYR B 83 14.995 2.820 11.872 1.00 1.70 H new ATOM 0 HE2 TYR B 83 16.949 6.100 9.855 1.00 3.43 H new ATOM 0 HH TYR B 83 14.858 5.925 11.805 1.00 2.34 H new ATOM 2851 N ASN B 84 17.330 -0.776 9.480 1.00 1.24 N ATOM 2852 CA ASN B 84 16.888 -2.079 9.984 1.00 1.47 C ATOM 2853 C ASN B 84 17.729 -3.216 9.393 1.00 1.63 C ATOM 2854 O ASN B 84 17.870 -3.334 8.171 1.00 2.24 O ATOM 2855 CB ASN B 84 15.399 -2.326 9.730 1.00 1.62 C ATOM 2856 CG ASN B 84 14.556 -1.588 10.756 1.00 2.48 C ATOM 2857 OD1 ASN B 84 14.251 -2.105 11.819 1.00 3.33 O ATOM 2858 ND2 ASN B 84 14.189 -0.351 10.487 1.00 3.05 N ATOM 0 H ASN B 84 16.695 -0.317 8.827 1.00 1.24 H new ATOM 0 HA ASN B 84 17.036 -2.062 11.064 1.00 1.47 H new ATOM 0 HB2 ASN B 84 15.135 -1.993 8.726 1.00 1.62 H new ATOM 0 HB3 ASN B 84 15.188 -3.394 9.778 1.00 1.62 H new ATOM 0 HD21 ASN B 84 13.647 0.180 11.169 1.00 3.05 H new ATOM 0 HD22 ASN B 84 14.447 0.075 9.597 1.00 3.05 H new ATOM 2865 N ASP B 85 18.255 -4.057 10.275 1.00 1.77 N ATOM 2866 CA ASP B 85 18.809 -5.389 10.026 1.00 1.81 C ATOM 2867 C ASP B 85 17.816 -6.504 10.408 1.00 1.81 C ATOM 2868 O ASP B 85 17.840 -7.570 9.801 1.00 1.99 O ATOM 2869 CB ASP B 85 20.116 -5.530 10.826 1.00 2.50 C ATOM 2870 CG ASP B 85 20.038 -5.271 12.343 1.00 3.60 C ATOM 2871 OD1 ASP B 85 19.034 -4.674 12.803 1.00 4.43 O ATOM 2872 OD2 ASP B 85 21.027 -5.633 13.023 1.00 4.48 O ATOM 0 H ASP B 85 18.311 -3.809 11.263 1.00 1.77 H new ATOM 0 HA ASP B 85 19.006 -5.497 8.959 1.00 1.81 H new ATOM 0 HB2 ASP B 85 20.499 -6.539 10.674 1.00 2.50 H new ATOM 0 HB3 ASP B 85 20.849 -4.843 10.402 1.00 2.50 H new