USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -0.0509 K(o=-0.092,f=-1.9) USER MOD Set 1.2: A 94 GLN : amide:sc= -0.0408 K(o=-0.092,f=-2) USER MOD Set 2.1: A 52 CYS SG : rot -73:sc= -6.42! USER MOD Set 2.2: A 59 MET CE :methyl 162:sc= -7.3! (180deg=-7.14!) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.148 (180deg=-0.655) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.137 (180deg=-0.138) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -5.59! C(o=-7.9!,f=-5.6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0755 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -141:sc= -0.18 (180deg=-0.837) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 160:sc= 0.15 USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= 0.026 (180deg=-4.09!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -1.87 F(o=-5.1!,f=-1.9) USER MOD Single : A 31 SER OG : rot -60:sc= 1.15 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0879 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.17) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 2.27 (180deg=2.27) USER MOD Single : A 40 MET CE :methyl 174:sc= -4.78! (180deg=-4.99!) USER MOD Single : A 41 THR OG1 : rot -139:sc= 0.00596 USER MOD Single : A 42 THR OG1 : rot -170:sc= -0.0186 USER MOD Single : A 43 HIS : no HD1:sc= -0.0554 X(o=-0.055,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= 0.136 (180deg=-0.908!) USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.15) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.06) USER MOD Single : A 50 SER OG : rot -111:sc= 1.29 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.651 F(o=-5.1!,f=-0.65) USER MOD Single : A 55 GLN : amide:sc= -6.42! C(o=-6.4!,f=-6.8!) USER MOD Single : A 61 SER OG : rot 92:sc= 0.301 USER MOD Single : A 69 GLN : amide:sc= -4.2 K(o=-4.2,f=-5.5!) USER MOD Single : A 74 ASN :FLIP amide:sc= 0.0487 F(o=-2.9!,f=0.049) USER MOD Single : A 75 HIS : no HE2:sc= -1.88 K(o=-1.9,f=-7.7!) USER MOD Single : A 76 THR OG1 : rot 108:sc= -1.61 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 143:sc= -3.34! (180deg=-6.32!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : B 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 722 THR OG1 : rot 19:sc= 0.482 USER MOD Single : B 723 SER OG : rot 180:sc= 0 USER MOD Single : B 726 THR OG1 : rot 180:sc= 0 USER MOD Single : B 727 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : B 728 CYS SG : rot 180:sc= 0 USER MOD Single : B 737 SER OG : rot 180:sc= 0 USER MOD Single : B 739 SER OG : rot 180:sc= -0.162 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.221 30.483 39.541 1.00 23.69 N ATOM 2 CA MET A 1 10.929 31.002 39.026 1.00 23.15 C ATOM 3 C MET A 1 10.510 30.293 37.739 1.00 22.30 C ATOM 4 O MET A 1 9.332 30.315 37.375 1.00 21.95 O ATOM 5 CB MET A 1 11.018 32.511 38.765 1.00 23.34 C ATOM 6 CG MET A 1 11.997 32.884 37.661 1.00 23.82 C ATOM 7 SD MET A 1 12.054 34.656 37.342 1.00 24.35 S ATOM 8 CE MET A 1 12.610 35.268 38.931 1.00 24.62 C ATOM 0 H1 MET A 1 12.482 30.999 40.406 1.00 23.69 H new ATOM 0 H2 MET A 1 12.127 29.470 39.757 1.00 23.69 H new ATOM 0 H3 MET A 1 12.960 30.616 38.822 1.00 23.69 H new ATOM 0 HA MET A 1 10.177 30.807 39.791 1.00 23.15 H new ATOM 0 HB2 MET A 1 10.028 32.884 38.502 1.00 23.34 H new ATOM 0 HB3 MET A 1 11.314 33.013 39.686 1.00 23.34 H new ATOM 0 HG2 MET A 1 12.994 32.537 37.934 1.00 23.82 H new ATOM 0 HG3 MET A 1 11.718 32.364 36.744 1.00 23.82 H new ATOM 0 HE1 MET A 1 12.981 36.287 38.819 1.00 24.62 H new ATOM 0 HE2 MET A 1 11.778 35.261 39.635 1.00 24.62 H new ATOM 0 HE3 MET A 1 13.409 34.630 39.307 1.00 24.62 H new ATOM 18 N SER A 2 11.458 29.645 37.062 1.00 22.07 N ATOM 19 CA SER A 2 11.208 29.065 35.744 1.00 21.38 C ATOM 20 C SER A 2 10.080 28.031 35.777 1.00 20.96 C ATOM 21 O SER A 2 9.143 28.104 34.984 1.00 20.50 O ATOM 22 CB SER A 2 12.491 28.424 35.219 1.00 21.51 C ATOM 23 OG SER A 2 13.566 29.345 35.263 1.00 22.01 O ATOM 0 H SER A 2 12.408 29.509 37.406 1.00 22.07 H new ATOM 0 HA SER A 2 10.893 29.868 35.078 1.00 21.38 H new ATOM 0 HB2 SER A 2 12.734 27.545 35.816 1.00 21.51 H new ATOM 0 HB3 SER A 2 12.340 28.083 34.195 1.00 21.51 H new ATOM 0 HG SER A 2 14.379 28.915 34.924 1.00 22.01 H new ATOM 29 N ASP A 3 10.175 27.092 36.714 1.00 21.23 N ATOM 30 CA ASP A 3 9.207 25.998 36.835 1.00 21.04 C ATOM 31 C ASP A 3 7.787 26.531 36.950 1.00 21.00 C ATOM 32 O ASP A 3 6.860 26.013 36.327 1.00 20.71 O ATOM 33 CB ASP A 3 9.507 25.154 38.077 1.00 21.47 C ATOM 34 CG ASP A 3 10.931 24.645 38.122 1.00 21.77 C ATOM 35 OD1 ASP A 3 11.833 25.431 38.474 1.00 22.30 O ATOM 36 OD2 ASP A 3 11.153 23.456 37.820 1.00 21.57 O ATOM 0 H ASP A 3 10.920 27.065 37.410 1.00 21.23 H new ATOM 0 HA ASP A 3 9.293 25.388 35.936 1.00 21.04 H new ATOM 0 HB2 ASP A 3 9.313 25.750 38.969 1.00 21.47 H new ATOM 0 HB3 ASP A 3 8.824 24.305 38.105 1.00 21.47 H new ATOM 41 N GLN A 4 7.631 27.574 37.745 1.00 21.39 N ATOM 42 CA GLN A 4 6.315 28.104 38.057 1.00 21.53 C ATOM 43 C GLN A 4 5.764 28.930 36.903 1.00 21.32 C ATOM 44 O GLN A 4 4.586 28.825 36.565 1.00 21.35 O ATOM 45 CB GLN A 4 6.351 28.982 39.311 1.00 22.34 C ATOM 46 CG GLN A 4 7.012 28.349 40.531 1.00 22.66 C ATOM 47 CD GLN A 4 8.513 28.563 40.568 1.00 23.24 C ATOM 48 OE1 GLN A 4 9.267 27.549 40.181 1.00 23.63 O flip ATOM 49 NE2 GLN A 4 8.990 29.613 40.993 1.00 23.40 N flip ATOM 0 H GLN A 4 8.402 28.073 38.188 1.00 21.39 H new ATOM 0 HA GLN A 4 5.667 27.246 38.233 1.00 21.53 H new ATOM 0 HB2 GLN A 4 6.877 29.907 39.072 1.00 22.34 H new ATOM 0 HB3 GLN A 4 5.329 29.255 39.573 1.00 22.34 H new ATOM 0 HG2 GLN A 4 6.568 28.766 41.435 1.00 22.66 H new ATOM 0 HG3 GLN A 4 6.803 27.279 40.537 1.00 22.66 H new ATOM 0 HE21 GLN A 4 8.374 30.373 41.282 1.00 23.40 H new ATOM 0 HE22 GLN A 4 10.002 29.725 41.057 1.00 23.40 H new ATOM 58 N GLU A 5 6.620 29.745 36.303 1.00 21.21 N ATOM 59 CA GLU A 5 6.177 30.726 35.320 1.00 21.16 C ATOM 60 C GLU A 5 6.034 30.143 33.920 1.00 20.14 C ATOM 61 O GLU A 5 5.189 30.590 33.146 1.00 20.05 O ATOM 62 CB GLU A 5 7.135 31.917 35.295 1.00 21.82 C ATOM 63 CG GLU A 5 7.061 32.778 36.545 1.00 22.75 C ATOM 64 CD GLU A 5 5.703 33.426 36.720 1.00 23.18 C ATOM 65 OE1 GLU A 5 4.800 32.776 37.282 1.00 23.50 O ATOM 66 OE2 GLU A 5 5.529 34.586 36.285 1.00 23.28 O ATOM 0 H GLU A 5 7.625 29.747 36.479 1.00 21.21 H new ATOM 0 HA GLU A 5 5.185 31.054 35.630 1.00 21.16 H new ATOM 0 HB2 GLU A 5 8.155 31.551 35.175 1.00 21.82 H new ATOM 0 HB3 GLU A 5 6.913 32.534 34.424 1.00 21.82 H new ATOM 0 HG2 GLU A 5 7.284 32.165 37.419 1.00 22.75 H new ATOM 0 HG3 GLU A 5 7.826 33.552 36.495 1.00 22.75 H new ATOM 73 N ALA A 6 6.838 29.144 33.584 1.00 19.46 N ATOM 74 CA ALA A 6 6.826 28.600 32.235 1.00 18.52 C ATOM 75 C ALA A 6 5.692 27.598 32.061 1.00 17.92 C ATOM 76 O ALA A 6 5.823 26.426 32.422 1.00 18.12 O ATOM 77 CB ALA A 6 8.165 27.954 31.908 1.00 18.20 C ATOM 0 H ALA A 6 7.500 28.698 34.220 1.00 19.46 H new ATOM 0 HA ALA A 6 6.659 29.423 31.540 1.00 18.52 H new ATOM 0 HB1 ALA A 6 8.138 27.553 30.895 1.00 18.20 H new ATOM 0 HB2 ALA A 6 8.956 28.700 31.981 1.00 18.20 H new ATOM 0 HB3 ALA A 6 8.361 27.146 32.613 1.00 18.20 H new ATOM 83 N LYS A 7 4.565 28.073 31.545 1.00 17.33 N ATOM 84 CA LYS A 7 3.454 27.189 31.222 1.00 16.82 C ATOM 85 C LYS A 7 3.829 26.257 30.064 1.00 15.93 C ATOM 86 O LYS A 7 4.360 26.690 29.045 1.00 15.33 O ATOM 87 CB LYS A 7 2.158 27.978 30.924 1.00 16.60 C ATOM 88 CG LYS A 7 2.049 28.624 29.536 1.00 16.97 C ATOM 89 CD LYS A 7 2.895 29.881 29.384 1.00 17.70 C ATOM 90 CE LYS A 7 4.300 29.554 28.921 1.00 18.30 C ATOM 91 NZ LYS A 7 5.123 30.775 28.726 1.00 19.04 N ATOM 0 H LYS A 7 4.397 29.059 31.343 1.00 17.33 H new ATOM 0 HA LYS A 7 3.249 26.574 32.098 1.00 16.82 H new ATOM 0 HB2 LYS A 7 1.312 27.303 31.053 1.00 16.60 H new ATOM 0 HB3 LYS A 7 2.057 28.763 31.674 1.00 16.60 H new ATOM 0 HG2 LYS A 7 2.352 27.898 28.781 1.00 16.97 H new ATOM 0 HG3 LYS A 7 1.006 28.872 29.340 1.00 16.97 H new ATOM 0 HD2 LYS A 7 2.423 30.554 28.668 1.00 17.70 H new ATOM 0 HD3 LYS A 7 2.939 30.409 30.337 1.00 17.70 H new ATOM 0 HE2 LYS A 7 4.781 28.906 29.654 1.00 18.30 H new ATOM 0 HE3 LYS A 7 4.252 28.996 27.986 1.00 18.30 H new ATOM 0 HZ1 LYS A 7 6.076 30.504 28.409 1.00 19.04 H new ATOM 0 HZ2 LYS A 7 4.679 31.382 28.008 1.00 19.04 H new ATOM 0 HZ3 LYS A 7 5.191 31.295 29.624 1.00 19.04 H new ATOM 105 N PRO A 8 3.572 24.956 30.212 1.00 15.97 N ATOM 106 CA PRO A 8 4.007 23.953 29.254 1.00 15.31 C ATOM 107 C PRO A 8 2.989 23.693 28.152 1.00 14.44 C ATOM 108 O PRO A 8 2.772 22.553 27.744 1.00 14.27 O ATOM 109 CB PRO A 8 4.193 22.711 30.121 1.00 16.05 C ATOM 110 CG PRO A 8 3.381 22.937 31.367 1.00 16.96 C ATOM 111 CD PRO A 8 2.839 24.346 31.321 1.00 16.80 C ATOM 0 HA PRO A 8 4.904 24.266 28.720 1.00 15.31 H new ATOM 0 HB2 PRO A 8 3.857 21.817 29.596 1.00 16.05 H new ATOM 0 HB3 PRO A 8 5.245 22.562 30.365 1.00 16.05 H new ATOM 0 HG2 PRO A 8 2.565 22.217 31.426 1.00 16.96 H new ATOM 0 HG3 PRO A 8 3.997 22.794 32.255 1.00 16.96 H new ATOM 0 HD2 PRO A 8 1.763 24.357 31.146 1.00 16.80 H new ATOM 0 HD3 PRO A 8 3.015 24.875 32.258 1.00 16.80 H new ATOM 119 N SER A 9 2.372 24.751 27.668 1.00 14.02 N ATOM 120 CA SER A 9 1.380 24.650 26.606 1.00 13.33 C ATOM 121 C SER A 9 2.016 24.845 25.229 1.00 12.66 C ATOM 122 O SER A 9 1.317 25.013 24.227 1.00 12.16 O ATOM 123 CB SER A 9 0.316 25.716 26.839 1.00 13.64 C ATOM 124 OG SER A 9 0.918 26.996 26.983 1.00 13.73 O ATOM 0 H SER A 9 2.539 25.703 27.994 1.00 14.02 H new ATOM 0 HA SER A 9 0.937 23.654 26.627 1.00 13.33 H new ATOM 0 HB2 SER A 9 -0.384 25.729 26.004 1.00 13.64 H new ATOM 0 HB3 SER A 9 -0.259 25.475 27.733 1.00 13.64 H new ATOM 0 HG SER A 9 0.222 27.670 27.130 1.00 13.73 H new ATOM 130 N THR A 10 3.337 24.802 25.185 1.00 12.84 N ATOM 131 CA THR A 10 4.083 25.133 23.978 1.00 12.49 C ATOM 132 C THR A 10 4.148 23.948 23.004 1.00 11.94 C ATOM 133 O THR A 10 4.777 24.021 21.948 1.00 11.47 O ATOM 134 CB THR A 10 5.503 25.584 24.365 1.00 13.21 C ATOM 135 OG1 THR A 10 5.429 26.491 25.475 1.00 13.91 O ATOM 136 CG2 THR A 10 6.193 26.262 23.198 1.00 13.47 C ATOM 0 H THR A 10 3.921 24.539 25.978 1.00 12.84 H new ATOM 0 HA THR A 10 3.563 25.943 23.467 1.00 12.49 H new ATOM 0 HB THR A 10 6.084 24.704 24.642 1.00 13.21 H new ATOM 0 HG1 THR A 10 6.332 26.778 25.724 1.00 13.91 H new ATOM 0 HG21 THR A 10 7.194 26.571 23.497 1.00 13.47 H new ATOM 0 HG22 THR A 10 6.263 25.566 22.362 1.00 13.47 H new ATOM 0 HG23 THR A 10 5.619 27.137 22.894 1.00 13.47 H new ATOM 144 N GLU A 11 3.450 22.877 23.345 1.00 12.19 N ATOM 145 CA GLU A 11 3.461 21.645 22.552 1.00 11.97 C ATOM 146 C GLU A 11 2.648 21.781 21.263 1.00 11.14 C ATOM 147 O GLU A 11 2.457 20.804 20.538 1.00 11.00 O ATOM 148 CB GLU A 11 2.893 20.484 23.365 1.00 13.04 C ATOM 149 CG GLU A 11 3.604 20.237 24.681 1.00 13.94 C ATOM 150 CD GLU A 11 3.040 19.036 25.407 1.00 14.51 C ATOM 151 OE1 GLU A 11 2.022 19.186 26.113 1.00 14.71 O ATOM 152 OE2 GLU A 11 3.603 17.933 25.261 1.00 14.88 O ATOM 0 H GLU A 11 2.860 22.831 24.175 1.00 12.19 H new ATOM 0 HA GLU A 11 4.501 21.452 22.288 1.00 11.97 H new ATOM 0 HB2 GLU A 11 1.839 20.678 23.566 1.00 13.04 H new ATOM 0 HB3 GLU A 11 2.942 19.576 22.763 1.00 13.04 H new ATOM 0 HG2 GLU A 11 4.667 20.084 24.497 1.00 13.94 H new ATOM 0 HG3 GLU A 11 3.514 21.120 25.314 1.00 13.94 H new ATOM 159 N ASP A 12 2.180 22.986 20.972 1.00 10.76 N ATOM 160 CA ASP A 12 1.338 23.223 19.801 1.00 10.14 C ATOM 161 C ASP A 12 2.170 23.299 18.532 1.00 9.01 C ATOM 162 O ASP A 12 1.627 23.395 17.430 1.00 8.48 O ATOM 163 CB ASP A 12 0.546 24.519 19.957 1.00 10.63 C ATOM 164 CG ASP A 12 1.431 25.748 19.968 1.00 11.09 C ATOM 165 OD1 ASP A 12 2.126 25.978 20.979 1.00 11.37 O ATOM 166 OD2 ASP A 12 1.437 26.494 18.965 1.00 11.38 O ATOM 0 H ASP A 12 2.368 23.819 21.530 1.00 10.76 H new ATOM 0 HA ASP A 12 0.648 22.383 19.723 1.00 10.14 H new ATOM 0 HB2 ASP A 12 -0.172 24.601 19.141 1.00 10.63 H new ATOM 0 HB3 ASP A 12 -0.027 24.481 20.884 1.00 10.63 H new ATOM 171 N LEU A 13 3.481 23.262 18.684 1.00 8.84 N ATOM 172 CA LEU A 13 4.377 23.390 17.547 1.00 7.95 C ATOM 173 C LEU A 13 4.485 22.080 16.773 1.00 7.12 C ATOM 174 O LEU A 13 3.878 21.071 17.144 1.00 7.51 O ATOM 175 CB LEU A 13 5.762 23.869 18.016 1.00 8.51 C ATOM 176 CG LEU A 13 6.392 23.079 19.174 1.00 9.12 C ATOM 177 CD1 LEU A 13 6.967 21.751 18.703 1.00 9.39 C ATOM 178 CD2 LEU A 13 7.469 23.910 19.853 1.00 9.90 C ATOM 0 H LEU A 13 3.950 23.145 19.582 1.00 8.84 H new ATOM 0 HA LEU A 13 3.962 24.135 16.868 1.00 7.95 H new ATOM 0 HB2 LEU A 13 6.443 23.835 17.166 1.00 8.51 H new ATOM 0 HB3 LEU A 13 5.680 24.913 18.317 1.00 8.51 H new ATOM 0 HG LEU A 13 5.603 22.860 19.893 1.00 9.12 H new ATOM 0 HD11 LEU A 13 7.403 21.222 19.551 1.00 9.39 H new ATOM 0 HD12 LEU A 13 6.173 21.145 18.267 1.00 9.39 H new ATOM 0 HD13 LEU A 13 7.737 21.933 17.954 1.00 9.39 H new ATOM 0 HD21 LEU A 13 7.907 23.339 20.671 1.00 9.90 H new ATOM 0 HD22 LEU A 13 8.245 24.161 19.130 1.00 9.90 H new ATOM 0 HD23 LEU A 13 7.028 24.826 20.245 1.00 9.90 H new ATOM 190 N GLY A 14 5.272 22.100 15.705 1.00 6.21 N ATOM 191 CA GLY A 14 5.494 20.900 14.926 1.00 5.51 C ATOM 192 C GLY A 14 5.427 21.138 13.434 1.00 4.93 C ATOM 193 O GLY A 14 5.196 20.211 12.659 1.00 4.74 O ATOM 0 H GLY A 14 5.761 22.928 15.365 1.00 6.21 H new ATOM 0 HA2 GLY A 14 6.470 20.486 15.178 1.00 5.51 H new ATOM 0 HA3 GLY A 14 4.750 20.152 15.202 1.00 5.51 H new ATOM 197 N ASP A 15 5.611 22.388 13.035 1.00 5.09 N ATOM 198 CA ASP A 15 5.755 22.748 11.622 1.00 5.13 C ATOM 199 C ASP A 15 6.906 21.986 10.954 1.00 4.49 C ATOM 200 O ASP A 15 6.923 21.797 9.738 1.00 4.69 O ATOM 201 CB ASP A 15 5.977 24.263 11.499 1.00 5.97 C ATOM 202 CG ASP A 15 6.338 24.713 10.094 1.00 6.53 C ATOM 203 OD1 ASP A 15 5.453 24.676 9.206 1.00 6.83 O ATOM 204 OD2 ASP A 15 7.511 25.073 9.863 1.00 6.93 O ATOM 0 H ASP A 15 5.665 23.181 13.674 1.00 5.09 H new ATOM 0 HA ASP A 15 4.837 22.467 11.105 1.00 5.13 H new ATOM 0 HB2 ASP A 15 5.072 24.781 11.816 1.00 5.97 H new ATOM 0 HB3 ASP A 15 6.772 24.562 12.183 1.00 5.97 H new ATOM 209 N LYS A 16 7.861 21.531 11.756 1.00 4.20 N ATOM 210 CA LYS A 16 9.007 20.795 11.229 1.00 4.16 C ATOM 211 C LYS A 16 8.815 19.284 11.330 1.00 3.46 C ATOM 212 O LYS A 16 9.762 18.517 11.146 1.00 3.74 O ATOM 213 CB LYS A 16 10.301 21.219 11.919 1.00 4.88 C ATOM 214 CG LYS A 16 10.723 22.630 11.558 1.00 5.72 C ATOM 215 CD LYS A 16 12.153 22.913 11.967 1.00 6.55 C ATOM 216 CE LYS A 16 12.644 24.224 11.373 1.00 7.29 C ATOM 217 NZ LYS A 16 12.504 24.248 9.888 1.00 7.77 N ATOM 0 H LYS A 16 7.867 21.657 12.768 1.00 4.20 H new ATOM 0 HA LYS A 16 9.083 21.046 10.171 1.00 4.16 H new ATOM 0 HB2 LYS A 16 10.172 21.148 12.999 1.00 4.88 H new ATOM 0 HB3 LYS A 16 11.097 20.526 11.647 1.00 4.88 H new ATOM 0 HG2 LYS A 16 10.617 22.777 10.483 1.00 5.72 H new ATOM 0 HG3 LYS A 16 10.058 23.344 12.045 1.00 5.72 H new ATOM 0 HD2 LYS A 16 12.222 22.954 13.054 1.00 6.55 H new ATOM 0 HD3 LYS A 16 12.797 22.097 11.638 1.00 6.55 H new ATOM 0 HE2 LYS A 16 12.081 25.052 11.804 1.00 7.29 H new ATOM 0 HE3 LYS A 16 13.689 24.376 11.642 1.00 7.29 H new ATOM 0 HZ1 LYS A 16 13.332 24.718 9.469 1.00 7.77 H new ATOM 0 HZ2 LYS A 16 12.441 23.274 9.529 1.00 7.77 H new ATOM 0 HZ3 LYS A 16 11.642 24.769 9.629 1.00 7.77 H new ATOM 231 N LYS A 17 7.605 18.858 11.647 1.00 2.93 N ATOM 232 CA LYS A 17 7.264 17.442 11.610 1.00 2.61 C ATOM 233 C LYS A 17 7.073 17.001 10.164 1.00 2.32 C ATOM 234 O LYS A 17 7.905 16.287 9.605 1.00 2.80 O ATOM 235 CB LYS A 17 5.998 17.172 12.439 1.00 2.77 C ATOM 236 CG LYS A 17 5.293 15.844 12.150 1.00 3.05 C ATOM 237 CD LYS A 17 6.034 14.617 12.681 1.00 3.51 C ATOM 238 CE LYS A 17 7.211 14.219 11.804 1.00 3.23 C ATOM 239 NZ LYS A 17 7.682 12.846 12.122 1.00 3.83 N ATOM 0 H LYS A 17 6.841 19.470 11.933 1.00 2.93 H new ATOM 0 HA LYS A 17 8.078 16.865 12.048 1.00 2.61 H new ATOM 0 HB2 LYS A 17 6.264 17.200 13.496 1.00 2.77 H new ATOM 0 HB3 LYS A 17 5.291 17.984 12.266 1.00 2.77 H new ATOM 0 HG2 LYS A 17 4.296 15.871 12.589 1.00 3.05 H new ATOM 0 HG3 LYS A 17 5.165 15.740 11.073 1.00 3.05 H new ATOM 0 HD2 LYS A 17 6.391 14.821 13.690 1.00 3.51 H new ATOM 0 HD3 LYS A 17 5.339 13.780 12.752 1.00 3.51 H new ATOM 0 HE2 LYS A 17 6.920 14.272 10.755 1.00 3.23 H new ATOM 0 HE3 LYS A 17 8.028 14.927 11.944 1.00 3.23 H new ATOM 0 HZ1 LYS A 17 8.485 12.603 11.507 1.00 3.83 H new ATOM 0 HZ2 LYS A 17 7.982 12.804 13.117 1.00 3.83 H new ATOM 0 HZ3 LYS A 17 6.909 12.169 11.965 1.00 3.83 H new ATOM 253 N GLU A 18 5.981 17.441 9.568 1.00 1.92 N ATOM 254 CA GLU A 18 5.655 17.094 8.198 1.00 1.92 C ATOM 255 C GLU A 18 5.111 18.323 7.489 1.00 1.51 C ATOM 256 O GLU A 18 5.237 19.433 8.004 1.00 1.60 O ATOM 257 CB GLU A 18 4.659 15.926 8.164 1.00 2.31 C ATOM 258 CG GLU A 18 5.274 14.619 8.642 1.00 2.92 C ATOM 259 CD GLU A 18 4.272 13.496 8.790 1.00 3.74 C ATOM 260 OE1 GLU A 18 3.834 12.942 7.763 1.00 4.37 O ATOM 261 OE2 GLU A 18 3.932 13.148 9.938 1.00 4.12 O ATOM 0 H GLU A 18 5.296 18.048 10.019 1.00 1.92 H new ATOM 0 HA GLU A 18 6.553 16.764 7.675 1.00 1.92 H new ATOM 0 HB2 GLU A 18 3.799 16.168 8.788 1.00 2.31 H new ATOM 0 HB3 GLU A 18 4.289 15.799 7.147 1.00 2.31 H new ATOM 0 HG2 GLU A 18 6.048 14.313 7.939 1.00 2.92 H new ATOM 0 HG3 GLU A 18 5.763 14.787 9.602 1.00 2.92 H new ATOM 268 N GLY A 19 4.486 18.138 6.340 1.00 1.76 N ATOM 269 CA GLY A 19 4.110 19.263 5.519 1.00 1.75 C ATOM 270 C GLY A 19 4.326 18.952 4.061 1.00 1.41 C ATOM 271 O GLY A 19 3.977 17.861 3.604 1.00 1.51 O ATOM 0 H GLY A 19 4.232 17.226 5.961 1.00 1.76 H new ATOM 0 HA2 GLY A 19 3.063 19.512 5.692 1.00 1.75 H new ATOM 0 HA3 GLY A 19 4.697 20.138 5.801 1.00 1.75 H new ATOM 275 N GLU A 20 4.904 19.884 3.325 1.00 1.32 N ATOM 276 CA GLU A 20 5.244 19.624 1.940 1.00 1.19 C ATOM 277 C GLU A 20 6.661 19.077 1.824 1.00 0.95 C ATOM 278 O GLU A 20 7.613 19.619 2.393 1.00 1.16 O ATOM 279 CB GLU A 20 5.078 20.870 1.058 1.00 1.68 C ATOM 280 CG GLU A 20 5.886 22.080 1.499 1.00 2.62 C ATOM 281 CD GLU A 20 5.241 22.824 2.644 1.00 3.39 C ATOM 282 OE1 GLU A 20 4.428 23.735 2.384 1.00 3.98 O ATOM 283 OE2 GLU A 20 5.542 22.499 3.808 1.00 3.82 O ATOM 0 H GLU A 20 5.145 20.817 3.659 1.00 1.32 H new ATOM 0 HA GLU A 20 4.544 18.871 1.577 1.00 1.19 H new ATOM 0 HB2 GLU A 20 5.362 20.615 0.037 1.00 1.68 H new ATOM 0 HB3 GLU A 20 4.023 21.144 1.037 1.00 1.68 H new ATOM 0 HG2 GLU A 20 6.884 21.757 1.797 1.00 2.62 H new ATOM 0 HG3 GLU A 20 6.009 22.757 0.654 1.00 2.62 H new ATOM 290 N TYR A 21 6.768 17.969 1.122 1.00 0.69 N ATOM 291 CA TYR A 21 8.036 17.350 0.806 1.00 0.47 C ATOM 292 C TYR A 21 7.872 16.508 -0.455 1.00 0.30 C ATOM 293 O TYR A 21 6.770 16.409 -0.996 1.00 0.33 O ATOM 294 CB TYR A 21 8.577 16.505 1.980 1.00 0.51 C ATOM 295 CG TYR A 21 7.533 15.839 2.873 1.00 0.49 C ATOM 296 CD1 TYR A 21 6.325 15.383 2.341 1.00 1.23 C ATOM 297 CD2 TYR A 21 7.734 15.690 4.237 1.00 1.13 C ATOM 298 CE1 TYR A 21 5.361 14.794 3.147 1.00 1.60 C ATOM 299 CE2 TYR A 21 6.778 15.110 5.045 1.00 1.36 C ATOM 300 CZ TYR A 21 5.659 14.581 4.510 1.00 1.34 C ATOM 301 OH TYR A 21 4.645 14.105 5.319 1.00 1.85 O ATOM 0 H TYR A 21 5.963 17.466 0.749 1.00 0.69 H new ATOM 0 HA TYR A 21 8.775 18.132 0.629 1.00 0.47 H new ATOM 0 HB2 TYR A 21 9.224 15.728 1.572 1.00 0.51 H new ATOM 0 HB3 TYR A 21 9.201 17.145 2.603 1.00 0.51 H new ATOM 0 HD1 TYR A 21 6.138 15.491 1.283 1.00 1.23 H new ATOM 0 HD2 TYR A 21 8.658 16.035 4.676 1.00 1.13 H new ATOM 0 HE1 TYR A 21 4.403 14.505 2.740 1.00 1.60 H new ATOM 0 HE2 TYR A 21 6.927 15.079 6.114 1.00 1.36 H new ATOM 0 HH TYR A 21 5.031 13.703 6.125 1.00 1.85 H new ATOM 311 N ILE A 22 8.947 15.894 -0.914 1.00 0.23 N ATOM 312 CA ILE A 22 8.942 15.190 -2.191 1.00 0.18 C ATOM 313 C ILE A 22 9.428 13.764 -2.009 1.00 0.16 C ATOM 314 O ILE A 22 10.309 13.492 -1.197 1.00 0.19 O ATOM 315 CB ILE A 22 9.839 15.921 -3.221 1.00 0.21 C ATOM 316 CG1 ILE A 22 11.279 15.993 -2.716 1.00 0.29 C ATOM 317 CG2 ILE A 22 9.303 17.314 -3.515 1.00 0.26 C ATOM 318 CD1 ILE A 22 12.204 15.043 -3.437 1.00 0.40 C ATOM 0 H ILE A 22 9.840 15.867 -0.422 1.00 0.23 H new ATOM 0 HA ILE A 22 7.919 15.173 -2.566 1.00 0.18 H new ATOM 0 HB ILE A 22 9.826 15.352 -4.151 1.00 0.21 H new ATOM 0 HG12 ILE A 22 11.649 17.011 -2.834 1.00 0.29 H new ATOM 0 HG13 ILE A 22 11.296 15.769 -1.649 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.950 17.807 -4.241 1.00 0.26 H new ATOM 0 HG22 ILE A 22 8.294 17.238 -3.921 1.00 0.26 H new ATOM 0 HG23 ILE A 22 9.280 17.897 -2.594 1.00 0.26 H new ATOM 0 HD11 ILE A 22 13.212 15.141 -3.034 1.00 0.40 H new ATOM 0 HD12 ILE A 22 11.855 14.020 -3.298 1.00 0.40 H new ATOM 0 HD13 ILE A 22 12.214 15.282 -4.501 1.00 0.40 H new ATOM 330 N LYS A 23 8.835 12.861 -2.754 1.00 0.17 N ATOM 331 CA LYS A 23 9.132 11.453 -2.624 1.00 0.20 C ATOM 332 C LYS A 23 9.911 10.952 -3.827 1.00 0.18 C ATOM 333 O LYS A 23 9.606 11.303 -4.953 1.00 0.28 O ATOM 334 CB LYS A 23 7.826 10.671 -2.431 1.00 0.32 C ATOM 335 CG LYS A 23 7.935 9.177 -2.691 1.00 0.32 C ATOM 336 CD LYS A 23 7.648 8.835 -4.149 1.00 0.49 C ATOM 337 CE LYS A 23 6.159 8.648 -4.425 1.00 0.88 C ATOM 338 NZ LYS A 23 5.364 9.887 -4.222 1.00 1.17 N ATOM 0 H LYS A 23 8.136 13.080 -3.464 1.00 0.17 H new ATOM 0 HA LYS A 23 9.761 11.297 -1.748 1.00 0.20 H new ATOM 0 HB2 LYS A 23 7.475 10.824 -1.411 1.00 0.32 H new ATOM 0 HB3 LYS A 23 7.068 11.087 -3.095 1.00 0.32 H new ATOM 0 HG2 LYS A 23 8.935 8.834 -2.427 1.00 0.32 H new ATOM 0 HG3 LYS A 23 7.235 8.644 -2.048 1.00 0.32 H new ATOM 0 HD2 LYS A 23 8.035 9.629 -4.788 1.00 0.49 H new ATOM 0 HD3 LYS A 23 8.181 7.922 -4.416 1.00 0.49 H new ATOM 0 HE2 LYS A 23 6.027 8.304 -5.451 1.00 0.88 H new ATOM 0 HE3 LYS A 23 5.771 7.865 -3.774 1.00 0.88 H new ATOM 0 HZ1 LYS A 23 4.543 9.881 -4.861 1.00 1.17 H new ATOM 0 HZ2 LYS A 23 5.035 9.931 -3.236 1.00 1.17 H new ATOM 0 HZ3 LYS A 23 5.956 10.717 -4.427 1.00 1.17 H new ATOM 352 N LEU A 24 10.937 10.161 -3.588 1.00 0.18 N ATOM 353 CA LEU A 24 11.637 9.516 -4.680 1.00 0.17 C ATOM 354 C LEU A 24 11.344 8.021 -4.666 1.00 0.20 C ATOM 355 O LEU A 24 11.068 7.436 -3.615 1.00 0.29 O ATOM 356 CB LEU A 24 13.157 9.736 -4.629 1.00 0.20 C ATOM 357 CG LEU A 24 13.659 11.190 -4.578 1.00 0.21 C ATOM 358 CD1 LEU A 24 12.977 12.048 -5.634 1.00 0.19 C ATOM 359 CD2 LEU A 24 13.477 11.787 -3.187 1.00 0.24 C ATOM 0 H LEU A 24 11.302 9.951 -2.659 1.00 0.18 H new ATOM 0 HA LEU A 24 11.274 9.971 -5.602 1.00 0.17 H new ATOM 0 HB2 LEU A 24 13.544 9.215 -3.753 1.00 0.20 H new ATOM 0 HB3 LEU A 24 13.596 9.258 -5.505 1.00 0.20 H new ATOM 0 HG LEU A 24 14.726 11.177 -4.799 1.00 0.21 H new ATOM 0 HD11 LEU A 24 13.353 13.069 -5.572 1.00 0.19 H new ATOM 0 HD12 LEU A 24 13.188 11.643 -6.624 1.00 0.19 H new ATOM 0 HD13 LEU A 24 11.900 12.047 -5.464 1.00 0.19 H new ATOM 0 HD21 LEU A 24 13.841 12.815 -3.182 1.00 0.24 H new ATOM 0 HD22 LEU A 24 12.420 11.775 -2.921 1.00 0.24 H new ATOM 0 HD23 LEU A 24 14.040 11.199 -2.462 1.00 0.24 H new ATOM 371 N LYS A 25 11.406 7.423 -5.838 1.00 0.15 N ATOM 372 CA LYS A 25 11.223 5.993 -5.989 1.00 0.16 C ATOM 373 C LYS A 25 12.587 5.337 -6.078 1.00 0.12 C ATOM 374 O LYS A 25 13.250 5.429 -7.105 1.00 0.13 O ATOM 375 CB LYS A 25 10.414 5.720 -7.268 1.00 0.22 C ATOM 376 CG LYS A 25 10.411 4.270 -7.740 1.00 0.70 C ATOM 377 CD LYS A 25 9.443 3.407 -6.951 1.00 0.48 C ATOM 378 CE LYS A 25 9.252 2.054 -7.619 1.00 0.52 C ATOM 379 NZ LYS A 25 8.091 1.316 -7.063 1.00 1.11 N ATOM 0 H LYS A 25 11.585 7.915 -6.714 1.00 0.15 H new ATOM 0 HA LYS A 25 10.681 5.585 -5.136 1.00 0.16 H new ATOM 0 HB2 LYS A 25 9.383 6.032 -7.100 1.00 0.22 H new ATOM 0 HB3 LYS A 25 10.810 6.345 -8.069 1.00 0.22 H new ATOM 0 HG2 LYS A 25 10.146 4.235 -8.797 1.00 0.70 H new ATOM 0 HG3 LYS A 25 11.417 3.859 -7.650 1.00 0.70 H new ATOM 0 HD2 LYS A 25 9.818 3.267 -5.937 1.00 0.48 H new ATOM 0 HD3 LYS A 25 8.482 3.915 -6.868 1.00 0.48 H new ATOM 0 HE2 LYS A 25 9.111 2.196 -8.691 1.00 0.52 H new ATOM 0 HE3 LYS A 25 10.155 1.457 -7.492 1.00 0.52 H new ATOM 0 HZ1 LYS A 25 7.998 0.400 -7.547 1.00 1.11 H new ATOM 0 HZ2 LYS A 25 8.236 1.157 -6.045 1.00 1.11 H new ATOM 0 HZ3 LYS A 25 7.225 1.873 -7.207 1.00 1.11 H new ATOM 393 N VAL A 26 13.018 4.678 -5.015 1.00 0.13 N ATOM 394 CA VAL A 26 14.322 4.052 -5.037 1.00 0.13 C ATOM 395 C VAL A 26 14.201 2.606 -5.492 1.00 0.13 C ATOM 396 O VAL A 26 13.369 1.844 -4.995 1.00 0.16 O ATOM 397 CB VAL A 26 15.064 4.148 -3.681 1.00 0.18 C ATOM 398 CG1 VAL A 26 14.805 2.954 -2.782 1.00 0.42 C ATOM 399 CG2 VAL A 26 16.551 4.322 -3.911 1.00 0.36 C ATOM 0 H VAL A 26 12.495 4.566 -4.146 1.00 0.13 H new ATOM 0 HA VAL A 26 14.930 4.604 -5.754 1.00 0.13 H new ATOM 0 HB VAL A 26 14.669 5.022 -3.163 1.00 0.18 H new ATOM 0 HG11 VAL A 26 15.351 3.078 -1.847 1.00 0.42 H new ATOM 0 HG12 VAL A 26 13.738 2.881 -2.572 1.00 0.42 H new ATOM 0 HG13 VAL A 26 15.140 2.044 -3.280 1.00 0.42 H new ATOM 0 HG21 VAL A 26 17.062 4.388 -2.951 1.00 0.36 H new ATOM 0 HG22 VAL A 26 16.935 3.468 -4.469 1.00 0.36 H new ATOM 0 HG23 VAL A 26 16.727 5.235 -4.480 1.00 0.36 H new ATOM 409 N ILE A 27 14.981 2.276 -6.498 1.00 0.12 N ATOM 410 CA ILE A 27 15.046 0.933 -7.029 1.00 0.14 C ATOM 411 C ILE A 27 16.341 0.273 -6.593 1.00 0.16 C ATOM 412 O ILE A 27 17.419 0.702 -6.996 1.00 0.21 O ATOM 413 CB ILE A 27 15.005 0.934 -8.569 1.00 0.17 C ATOM 414 CG1 ILE A 27 13.960 1.925 -9.096 1.00 0.19 C ATOM 415 CG2 ILE A 27 14.722 -0.470 -9.074 1.00 0.21 C ATOM 416 CD1 ILE A 27 12.547 1.600 -8.670 1.00 0.23 C ATOM 0 H ILE A 27 15.593 2.938 -6.974 1.00 0.12 H new ATOM 0 HA ILE A 27 14.183 0.387 -6.648 1.00 0.14 H new ATOM 0 HB ILE A 27 15.977 1.256 -8.943 1.00 0.17 H new ATOM 0 HG12 ILE A 27 14.214 2.926 -8.748 1.00 0.19 H new ATOM 0 HG13 ILE A 27 14.007 1.944 -10.185 1.00 0.19 H new ATOM 0 HG21 ILE A 27 14.694 -0.466 -10.164 1.00 0.21 H new ATOM 0 HG22 ILE A 27 15.508 -1.144 -8.734 1.00 0.21 H new ATOM 0 HG23 ILE A 27 13.761 -0.809 -8.687 1.00 0.21 H new ATOM 0 HD11 ILE A 27 11.863 2.343 -9.080 1.00 0.23 H new ATOM 0 HD12 ILE A 27 12.273 0.612 -9.041 1.00 0.23 H new ATOM 0 HD13 ILE A 27 12.484 1.610 -7.582 1.00 0.23 H new ATOM 428 N GLY A 28 16.242 -0.768 -5.787 1.00 0.20 N ATOM 429 CA GLY A 28 17.427 -1.461 -5.340 1.00 0.24 C ATOM 430 C GLY A 28 17.851 -2.513 -6.335 1.00 0.26 C ATOM 431 O GLY A 28 17.034 -2.984 -7.129 1.00 0.27 O ATOM 0 H GLY A 28 15.363 -1.146 -5.434 1.00 0.20 H new ATOM 0 HA2 GLY A 28 18.237 -0.746 -5.195 1.00 0.24 H new ATOM 0 HA3 GLY A 28 17.236 -1.927 -4.373 1.00 0.24 H new ATOM 435 N GLN A 29 19.117 -2.902 -6.284 1.00 0.28 N ATOM 436 CA GLN A 29 19.652 -3.903 -7.204 1.00 0.33 C ATOM 437 C GLN A 29 18.997 -5.256 -6.979 1.00 0.43 C ATOM 438 O GLN A 29 19.086 -6.151 -7.816 1.00 0.56 O ATOM 439 CB GLN A 29 21.163 -4.027 -7.037 1.00 0.34 C ATOM 440 CG GLN A 29 21.952 -3.044 -7.875 1.00 0.40 C ATOM 441 CD GLN A 29 23.422 -3.049 -7.527 1.00 0.34 C ATOM 442 OE1 GLN A 29 23.824 -2.125 -6.676 1.00 0.63 O flip ATOM 443 NE2 GLN A 29 24.195 -3.856 -8.042 1.00 0.21 N flip ATOM 0 H GLN A 29 19.796 -2.540 -5.615 1.00 0.28 H new ATOM 0 HA GLN A 29 19.430 -3.575 -8.220 1.00 0.33 H new ATOM 0 HB2 GLN A 29 21.416 -3.881 -5.987 1.00 0.34 H new ATOM 0 HB3 GLN A 29 21.466 -5.040 -7.300 1.00 0.34 H new ATOM 0 HG2 GLN A 29 21.829 -3.288 -8.930 1.00 0.40 H new ATOM 0 HG3 GLN A 29 21.550 -2.041 -7.731 1.00 0.40 H new ATOM 0 HE21 GLN A 29 23.842 -4.555 -8.696 1.00 0.21 H new ATOM 0 HE22 GLN A 29 25.189 -3.826 -7.815 1.00 0.21 H new ATOM 452 N ASP A 30 18.342 -5.400 -5.841 1.00 0.46 N ATOM 453 CA ASP A 30 17.647 -6.630 -5.521 1.00 0.58 C ATOM 454 C ASP A 30 16.144 -6.420 -5.528 1.00 0.50 C ATOM 455 O ASP A 30 15.431 -7.005 -4.721 1.00 0.55 O ATOM 456 CB ASP A 30 18.096 -7.173 -4.172 1.00 0.75 C ATOM 457 CG ASP A 30 19.522 -7.684 -4.210 1.00 1.50 C ATOM 458 OD1 ASP A 30 19.750 -8.793 -4.745 1.00 1.88 O ATOM 459 OD2 ASP A 30 20.420 -6.992 -3.683 1.00 2.12 O ATOM 0 H ASP A 30 18.278 -4.678 -5.123 1.00 0.46 H new ATOM 0 HA ASP A 30 17.897 -7.362 -6.288 1.00 0.58 H new ATOM 0 HB2 ASP A 30 18.012 -6.389 -3.420 1.00 0.75 H new ATOM 0 HB3 ASP A 30 17.430 -7.980 -3.867 1.00 0.75 H new ATOM 464 N SER A 31 15.690 -5.528 -6.407 1.00 0.44 N ATOM 465 CA SER A 31 14.267 -5.346 -6.731 1.00 0.45 C ATOM 466 C SER A 31 13.495 -4.652 -5.609 1.00 0.45 C ATOM 467 O SER A 31 12.297 -4.397 -5.739 1.00 0.54 O ATOM 468 CB SER A 31 13.607 -6.688 -7.089 1.00 0.53 C ATOM 469 OG SER A 31 13.270 -7.447 -5.936 1.00 1.48 O ATOM 0 H SER A 31 16.305 -4.900 -6.924 1.00 0.44 H new ATOM 0 HA SER A 31 14.227 -4.691 -7.602 1.00 0.45 H new ATOM 0 HB2 SER A 31 12.707 -6.503 -7.675 1.00 0.53 H new ATOM 0 HB3 SER A 31 14.284 -7.267 -7.718 1.00 0.53 H new ATOM 0 HG SER A 31 14.082 -7.642 -5.424 1.00 1.48 H new ATOM 475 N SER A 32 14.175 -4.362 -4.514 1.00 0.47 N ATOM 476 CA SER A 32 13.584 -3.624 -3.418 1.00 0.51 C ATOM 477 C SER A 32 13.324 -2.181 -3.844 1.00 0.41 C ATOM 478 O SER A 32 14.258 -1.433 -4.119 1.00 0.50 O ATOM 479 CB SER A 32 14.533 -3.669 -2.221 1.00 0.65 C ATOM 480 OG SER A 32 14.997 -4.993 -2.010 1.00 1.32 O ATOM 0 H SER A 32 15.147 -4.631 -4.362 1.00 0.47 H new ATOM 0 HA SER A 32 12.632 -4.074 -3.138 1.00 0.51 H new ATOM 0 HB2 SER A 32 15.379 -3.003 -2.393 1.00 0.65 H new ATOM 0 HB3 SER A 32 14.021 -3.309 -1.329 1.00 0.65 H new ATOM 0 HG SER A 32 15.605 -5.008 -1.241 1.00 1.32 H new ATOM 486 N GLU A 33 12.060 -1.800 -3.909 1.00 0.29 N ATOM 487 CA GLU A 33 11.695 -0.453 -4.327 1.00 0.25 C ATOM 488 C GLU A 33 10.918 0.221 -3.208 1.00 0.20 C ATOM 489 O GLU A 33 9.879 -0.280 -2.785 1.00 0.28 O ATOM 490 CB GLU A 33 10.828 -0.474 -5.581 1.00 0.36 C ATOM 491 CG GLU A 33 11.252 -1.480 -6.632 1.00 0.66 C ATOM 492 CD GLU A 33 10.151 -1.734 -7.638 1.00 1.18 C ATOM 493 OE1 GLU A 33 10.078 -0.991 -8.642 1.00 1.62 O ATOM 494 OE2 GLU A 33 9.377 -2.692 -7.449 1.00 1.70 O ATOM 0 H GLU A 33 11.269 -2.401 -3.679 1.00 0.29 H new ATOM 0 HA GLU A 33 12.611 0.094 -4.549 1.00 0.25 H new ATOM 0 HB2 GLU A 33 9.799 -0.686 -5.290 1.00 0.36 H new ATOM 0 HB3 GLU A 33 10.835 0.521 -6.027 1.00 0.36 H new ATOM 0 HG2 GLU A 33 12.140 -1.115 -7.148 1.00 0.66 H new ATOM 0 HG3 GLU A 33 11.527 -2.417 -6.149 1.00 0.66 H new ATOM 501 N ILE A 34 11.406 1.353 -2.733 1.00 0.18 N ATOM 502 CA ILE A 34 10.784 2.034 -1.614 1.00 0.18 C ATOM 503 C ILE A 34 10.721 3.527 -1.852 1.00 0.22 C ATOM 504 O ILE A 34 11.606 4.112 -2.480 1.00 0.29 O ATOM 505 CB ILE A 34 11.480 1.756 -0.263 1.00 0.29 C ATOM 506 CG1 ILE A 34 13.004 1.653 -0.400 1.00 0.73 C ATOM 507 CG2 ILE A 34 10.899 0.510 0.390 1.00 1.07 C ATOM 508 CD1 ILE A 34 13.496 0.314 -0.894 1.00 0.26 C ATOM 0 H ILE A 34 12.233 1.820 -3.106 1.00 0.18 H new ATOM 0 HA ILE A 34 9.775 1.628 -1.548 1.00 0.18 H new ATOM 0 HB ILE A 34 11.284 2.611 0.385 1.00 0.29 H new ATOM 0 HG12 ILE A 34 13.348 2.428 -1.085 1.00 0.73 H new ATOM 0 HG13 ILE A 34 13.459 1.859 0.569 1.00 0.73 H new ATOM 0 HG21 ILE A 34 11.401 0.330 1.340 1.00 1.07 H new ATOM 0 HG22 ILE A 34 9.833 0.654 0.565 1.00 1.07 H new ATOM 0 HG23 ILE A 34 11.046 -0.347 -0.267 1.00 1.07 H new ATOM 0 HD11 ILE A 34 14.584 0.328 -0.962 1.00 0.26 H new ATOM 0 HD12 ILE A 34 13.186 -0.467 -0.199 1.00 0.26 H new ATOM 0 HD13 ILE A 34 13.074 0.112 -1.878 1.00 0.26 H new ATOM 520 N HIS A 35 9.643 4.129 -1.386 1.00 0.24 N ATOM 521 CA HIS A 35 9.406 5.547 -1.587 1.00 0.28 C ATOM 522 C HIS A 35 9.966 6.343 -0.417 1.00 0.26 C ATOM 523 O HIS A 35 9.698 6.019 0.743 1.00 0.42 O ATOM 524 CB HIS A 35 7.906 5.820 -1.721 1.00 0.38 C ATOM 525 CG HIS A 35 7.238 5.048 -2.818 1.00 0.51 C ATOM 526 ND1 HIS A 35 6.091 4.309 -2.631 1.00 0.76 N ATOM 527 CD2 HIS A 35 7.552 4.917 -4.128 1.00 0.62 C ATOM 528 CE1 HIS A 35 5.730 3.760 -3.773 1.00 0.90 C ATOM 529 NE2 HIS A 35 6.599 4.114 -4.701 1.00 0.79 N ATOM 0 H HIS A 35 8.910 3.652 -0.860 1.00 0.24 H new ATOM 0 HA HIS A 35 9.908 5.855 -2.504 1.00 0.28 H new ATOM 0 HB2 HIS A 35 7.419 5.582 -0.775 1.00 0.38 H new ATOM 0 HB3 HIS A 35 7.756 6.885 -1.898 1.00 0.38 H new ATOM 0 HD2 HIS A 35 8.398 5.363 -4.630 1.00 0.62 H new ATOM 0 HE1 HIS A 35 4.868 3.127 -3.924 1.00 0.90 H new ATOM 0 HE2 HIS A 35 6.567 3.836 -5.682 1.00 0.79 H new ATOM 538 N PHE A 36 10.750 7.369 -0.709 1.00 0.28 N ATOM 539 CA PHE A 36 11.268 8.241 0.340 1.00 0.23 C ATOM 540 C PHE A 36 10.715 9.648 0.200 1.00 0.21 C ATOM 541 O PHE A 36 10.868 10.267 -0.842 1.00 0.27 O ATOM 542 CB PHE A 36 12.785 8.336 0.211 1.00 0.34 C ATOM 543 CG PHE A 36 13.537 7.080 0.534 1.00 0.27 C ATOM 544 CD1 PHE A 36 13.667 6.072 -0.405 1.00 0.40 C ATOM 545 CD2 PHE A 36 14.128 6.917 1.774 1.00 0.42 C ATOM 546 CE1 PHE A 36 14.375 4.926 -0.110 1.00 0.46 C ATOM 547 CE2 PHE A 36 14.839 5.773 2.071 1.00 0.46 C ATOM 548 CZ PHE A 36 14.960 4.774 1.128 1.00 0.40 C ATOM 0 H PHE A 36 11.041 7.619 -1.654 1.00 0.28 H new ATOM 0 HA PHE A 36 10.973 7.821 1.301 1.00 0.23 H new ATOM 0 HB2 PHE A 36 13.028 8.633 -0.809 1.00 0.34 H new ATOM 0 HB3 PHE A 36 13.140 9.131 0.867 1.00 0.34 H new ATOM 0 HD1 PHE A 36 13.210 6.184 -1.377 1.00 0.40 H new ATOM 0 HD2 PHE A 36 14.032 7.694 2.518 1.00 0.42 H new ATOM 0 HE1 PHE A 36 14.471 4.146 -0.851 1.00 0.46 H new ATOM 0 HE2 PHE A 36 15.300 5.660 3.041 1.00 0.46 H new ATOM 0 HZ PHE A 36 15.512 3.875 1.359 1.00 0.40 H new ATOM 558 N LYS A 37 10.118 10.160 1.265 1.00 0.20 N ATOM 559 CA LYS A 37 9.590 11.516 1.273 1.00 0.21 C ATOM 560 C LYS A 37 10.545 12.450 2.011 1.00 0.21 C ATOM 561 O LYS A 37 10.537 12.531 3.237 1.00 0.26 O ATOM 562 CB LYS A 37 8.191 11.545 1.900 1.00 0.27 C ATOM 563 CG LYS A 37 7.066 11.601 0.877 1.00 0.32 C ATOM 564 CD LYS A 37 6.901 13.008 0.324 1.00 0.37 C ATOM 565 CE LYS A 37 5.902 13.070 -0.824 1.00 0.36 C ATOM 566 NZ LYS A 37 5.050 14.289 -0.767 1.00 0.96 N ATOM 0 H LYS A 37 9.986 9.653 2.140 1.00 0.20 H new ATOM 0 HA LYS A 37 9.502 11.865 0.244 1.00 0.21 H new ATOM 0 HB2 LYS A 37 8.062 10.659 2.521 1.00 0.27 H new ATOM 0 HB3 LYS A 37 8.115 12.410 2.559 1.00 0.27 H new ATOM 0 HG2 LYS A 37 7.276 10.909 0.062 1.00 0.32 H new ATOM 0 HG3 LYS A 37 6.134 11.276 1.339 1.00 0.32 H new ATOM 0 HD2 LYS A 37 6.573 13.673 1.123 1.00 0.37 H new ATOM 0 HD3 LYS A 37 7.868 13.376 -0.020 1.00 0.37 H new ATOM 0 HE2 LYS A 37 6.440 13.049 -1.772 1.00 0.36 H new ATOM 0 HE3 LYS A 37 5.267 12.184 -0.798 1.00 0.36 H new ATOM 0 HZ1 LYS A 37 4.251 14.185 -1.424 1.00 0.96 H new ATOM 0 HZ2 LYS A 37 4.689 14.415 0.200 1.00 0.96 H new ATOM 0 HZ3 LYS A 37 5.614 15.120 -1.037 1.00 0.96 H new ATOM 580 N VAL A 38 11.375 13.137 1.241 1.00 0.19 N ATOM 581 CA VAL A 38 12.390 14.037 1.776 1.00 0.20 C ATOM 582 C VAL A 38 12.093 15.473 1.358 1.00 0.19 C ATOM 583 O VAL A 38 11.354 15.712 0.404 1.00 0.20 O ATOM 584 CB VAL A 38 13.814 13.663 1.291 1.00 0.22 C ATOM 585 CG1 VAL A 38 14.085 12.182 1.499 1.00 0.28 C ATOM 586 CG2 VAL A 38 14.016 14.060 -0.167 1.00 0.21 C ATOM 0 H VAL A 38 11.365 13.087 0.222 1.00 0.19 H new ATOM 0 HA VAL A 38 12.358 13.942 2.861 1.00 0.20 H new ATOM 0 HB VAL A 38 14.533 14.222 1.890 1.00 0.22 H new ATOM 0 HG11 VAL A 38 15.090 11.944 1.151 1.00 0.28 H new ATOM 0 HG12 VAL A 38 14.001 11.942 2.559 1.00 0.28 H new ATOM 0 HG13 VAL A 38 13.358 11.597 0.936 1.00 0.28 H new ATOM 0 HG21 VAL A 38 15.023 13.787 -0.482 1.00 0.21 H new ATOM 0 HG22 VAL A 38 13.287 13.541 -0.790 1.00 0.21 H new ATOM 0 HG23 VAL A 38 13.882 15.137 -0.273 1.00 0.21 H new ATOM 596 N LYS A 39 12.632 16.425 2.095 1.00 0.21 N ATOM 597 CA LYS A 39 12.529 17.826 1.716 1.00 0.20 C ATOM 598 C LYS A 39 13.309 18.104 0.447 1.00 0.18 C ATOM 599 O LYS A 39 14.267 17.394 0.140 1.00 0.18 O ATOM 600 CB LYS A 39 13.027 18.744 2.826 1.00 0.24 C ATOM 601 CG LYS A 39 11.920 19.206 3.761 1.00 0.86 C ATOM 602 CD LYS A 39 11.007 20.203 3.062 1.00 1.47 C ATOM 603 CE LYS A 39 10.163 21.006 4.043 1.00 1.82 C ATOM 604 NZ LYS A 39 9.096 20.197 4.683 1.00 2.43 N ATOM 0 H LYS A 39 13.146 16.257 2.960 1.00 0.21 H new ATOM 0 HA LYS A 39 11.473 18.031 1.541 1.00 0.20 H new ATOM 0 HB2 LYS A 39 13.789 18.223 3.405 1.00 0.24 H new ATOM 0 HB3 LYS A 39 13.505 19.616 2.380 1.00 0.24 H new ATOM 0 HG2 LYS A 39 11.339 18.347 4.097 1.00 0.86 H new ATOM 0 HG3 LYS A 39 12.355 19.664 4.649 1.00 0.86 H new ATOM 0 HD2 LYS A 39 11.610 20.885 2.463 1.00 1.47 H new ATOM 0 HD3 LYS A 39 10.351 19.670 2.374 1.00 1.47 H new ATOM 0 HE2 LYS A 39 10.810 21.422 4.816 1.00 1.82 H new ATOM 0 HE3 LYS A 39 9.709 21.848 3.520 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 8.554 20.794 5.340 1.00 2.43 H new ATOM 0 HZ2 LYS A 39 8.459 19.821 3.952 1.00 2.43 H new ATOM 0 HZ3 LYS A 39 9.526 19.408 5.207 1.00 2.43 H new ATOM 618 N MET A 40 12.886 19.120 -0.291 1.00 0.18 N ATOM 619 CA MET A 40 13.546 19.500 -1.534 1.00 0.18 C ATOM 620 C MET A 40 15.061 19.540 -1.389 1.00 0.17 C ATOM 621 O MET A 40 15.794 19.116 -2.285 1.00 0.20 O ATOM 622 CB MET A 40 13.040 20.869 -2.004 1.00 0.23 C ATOM 623 CG MET A 40 11.747 20.810 -2.805 1.00 0.30 C ATOM 624 SD MET A 40 12.024 20.558 -4.573 1.00 0.36 S ATOM 625 CE MET A 40 12.898 18.994 -4.593 1.00 0.33 C ATOM 0 H MET A 40 12.083 19.700 -0.049 1.00 0.18 H new ATOM 0 HA MET A 40 13.301 18.739 -2.275 1.00 0.18 H new ATOM 0 HB2 MET A 40 12.887 21.507 -1.133 1.00 0.23 H new ATOM 0 HB3 MET A 40 13.811 21.340 -2.613 1.00 0.23 H new ATOM 0 HG2 MET A 40 11.125 20.002 -2.421 1.00 0.30 H new ATOM 0 HG3 MET A 40 11.192 21.737 -2.658 1.00 0.30 H new ATOM 0 HE1 MET A 40 13.036 18.668 -5.624 1.00 0.33 H new ATOM 0 HE2 MET A 40 13.871 19.115 -4.117 1.00 0.33 H new ATOM 0 HE3 MET A 40 12.319 18.247 -4.050 1.00 0.33 H new ATOM 635 N THR A 41 15.539 19.975 -0.240 1.00 0.17 N ATOM 636 CA THR A 41 16.956 20.222 -0.075 1.00 0.17 C ATOM 637 C THR A 41 17.551 19.259 0.950 1.00 0.18 C ATOM 638 O THR A 41 18.423 19.616 1.744 1.00 0.20 O ATOM 639 CB THR A 41 17.247 21.682 0.318 1.00 0.20 C ATOM 640 OG1 THR A 41 16.805 21.936 1.660 1.00 0.27 O ATOM 641 CG2 THR A 41 16.543 22.641 -0.624 1.00 0.25 C ATOM 0 H THR A 41 14.972 20.163 0.587 1.00 0.17 H new ATOM 0 HA THR A 41 17.431 20.047 -1.040 1.00 0.17 H new ATOM 0 HB THR A 41 18.324 21.838 0.252 1.00 0.20 H new ATOM 0 HG1 THR A 41 16.381 22.818 1.703 1.00 0.27 H new ATOM 0 HG21 THR A 41 16.762 23.667 -0.329 1.00 0.25 H new ATOM 0 HG22 THR A 41 16.894 22.474 -1.642 1.00 0.25 H new ATOM 0 HG23 THR A 41 15.467 22.472 -0.578 1.00 0.25 H new ATOM 649 N THR A 42 17.076 18.024 0.916 1.00 0.17 N ATOM 650 CA THR A 42 17.585 16.987 1.798 1.00 0.19 C ATOM 651 C THR A 42 18.779 16.283 1.151 1.00 0.15 C ATOM 652 O THR A 42 18.706 15.890 -0.014 1.00 0.15 O ATOM 653 CB THR A 42 16.490 15.934 2.069 1.00 0.24 C ATOM 654 OG1 THR A 42 15.753 16.262 3.255 1.00 0.39 O ATOM 655 CG2 THR A 42 17.090 14.538 2.170 1.00 0.18 C ATOM 0 H THR A 42 16.337 17.715 0.285 1.00 0.17 H new ATOM 0 HA THR A 42 17.891 17.457 2.733 1.00 0.19 H new ATOM 0 HB THR A 42 15.798 15.941 1.227 1.00 0.24 H new ATOM 0 HG1 THR A 42 15.174 15.510 3.499 1.00 0.39 H new ATOM 0 HG21 THR A 42 16.298 13.814 2.361 1.00 0.18 H new ATOM 0 HG22 THR A 42 17.591 14.289 1.235 1.00 0.18 H new ATOM 0 HG23 THR A 42 17.811 14.510 2.987 1.00 0.18 H new ATOM 663 N HIS A 43 19.867 16.121 1.914 1.00 0.15 N ATOM 664 CA HIS A 43 21.046 15.426 1.413 1.00 0.13 C ATOM 665 C HIS A 43 20.668 14.035 0.971 1.00 0.12 C ATOM 666 O HIS A 43 20.210 13.220 1.772 1.00 0.14 O ATOM 667 CB HIS A 43 22.140 15.328 2.477 1.00 0.16 C ATOM 668 CG HIS A 43 22.807 16.639 2.783 1.00 0.28 C ATOM 669 ND1 HIS A 43 23.604 16.845 3.891 1.00 1.06 N ATOM 670 CD2 HIS A 43 22.812 17.812 2.102 1.00 0.82 C ATOM 671 CE1 HIS A 43 24.064 18.083 3.877 1.00 0.93 C ATOM 672 NE2 HIS A 43 23.598 18.687 2.803 1.00 0.55 N ATOM 0 H HIS A 43 19.950 16.461 2.872 1.00 0.15 H new ATOM 0 HA HIS A 43 21.434 16.001 0.572 1.00 0.13 H new ATOM 0 HB2 HIS A 43 21.707 14.928 3.394 1.00 0.16 H new ATOM 0 HB3 HIS A 43 22.895 14.616 2.144 1.00 0.16 H new ATOM 0 HD2 HIS A 43 22.292 18.018 1.178 1.00 0.82 H new ATOM 0 HE1 HIS A 43 24.712 18.525 4.620 1.00 0.93 H new ATOM 0 HE2 HIS A 43 23.792 19.652 2.536 1.00 0.55 H new ATOM 681 N LEU A 44 20.859 13.759 -0.298 1.00 0.12 N ATOM 682 CA LEU A 44 20.475 12.483 -0.845 1.00 0.14 C ATOM 683 C LEU A 44 21.403 11.387 -0.359 1.00 0.16 C ATOM 684 O LEU A 44 21.130 10.212 -0.577 1.00 0.19 O ATOM 685 CB LEU A 44 20.468 12.541 -2.365 1.00 0.14 C ATOM 686 CG LEU A 44 19.116 12.329 -3.044 1.00 0.14 C ATOM 687 CD1 LEU A 44 17.982 12.834 -2.163 1.00 0.15 C ATOM 688 CD2 LEU A 44 19.084 13.042 -4.384 1.00 0.21 C ATOM 0 H LEU A 44 21.278 14.402 -0.969 1.00 0.12 H new ATOM 0 HA LEU A 44 19.467 12.251 -0.500 1.00 0.14 H new ATOM 0 HB2 LEU A 44 20.857 13.512 -2.672 1.00 0.14 H new ATOM 0 HB3 LEU A 44 21.161 11.787 -2.739 1.00 0.14 H new ATOM 0 HG LEU A 44 18.981 11.259 -3.204 1.00 0.14 H new ATOM 0 HD11 LEU A 44 17.030 12.672 -2.668 1.00 0.15 H new ATOM 0 HD12 LEU A 44 17.988 12.293 -1.217 1.00 0.15 H new ATOM 0 HD13 LEU A 44 18.116 13.899 -1.973 1.00 0.15 H new ATOM 0 HD21 LEU A 44 18.115 12.883 -4.858 1.00 0.21 H new ATOM 0 HD22 LEU A 44 19.243 14.110 -4.232 1.00 0.21 H new ATOM 0 HD23 LEU A 44 19.871 12.646 -5.026 1.00 0.21 H new ATOM 700 N LYS A 45 22.490 11.751 0.332 1.00 0.16 N ATOM 701 CA LYS A 45 23.322 10.780 1.019 1.00 0.17 C ATOM 702 C LYS A 45 22.493 10.056 2.042 1.00 0.16 C ATOM 703 O LYS A 45 22.613 8.847 2.208 1.00 0.16 O ATOM 704 CB LYS A 45 24.475 11.512 1.718 1.00 0.19 C ATOM 705 CG LYS A 45 25.143 10.747 2.851 1.00 0.28 C ATOM 706 CD LYS A 45 26.486 10.161 2.446 1.00 0.51 C ATOM 707 CE LYS A 45 26.386 8.685 2.151 1.00 0.43 C ATOM 708 NZ LYS A 45 25.645 8.433 0.898 1.00 1.13 N ATOM 0 H LYS A 45 22.807 12.716 0.425 1.00 0.16 H new ATOM 0 HA LYS A 45 23.725 10.063 0.303 1.00 0.17 H new ATOM 0 HB2 LYS A 45 25.232 11.758 0.973 1.00 0.19 H new ATOM 0 HB3 LYS A 45 24.098 12.456 2.112 1.00 0.19 H new ATOM 0 HG2 LYS A 45 25.283 11.414 3.702 1.00 0.28 H new ATOM 0 HG3 LYS A 45 24.484 9.944 3.180 1.00 0.28 H new ATOM 0 HD2 LYS A 45 26.860 10.683 1.565 1.00 0.51 H new ATOM 0 HD3 LYS A 45 27.210 10.324 3.245 1.00 0.51 H new ATOM 0 HE2 LYS A 45 27.387 8.259 2.075 1.00 0.43 H new ATOM 0 HE3 LYS A 45 25.887 8.180 2.978 1.00 0.43 H new ATOM 0 HZ1 LYS A 45 25.780 7.443 0.608 1.00 1.13 H new ATOM 0 HZ2 LYS A 45 24.632 8.614 1.051 1.00 1.13 H new ATOM 0 HZ3 LYS A 45 26.000 9.064 0.152 1.00 1.13 H new ATOM 722 N LYS A 46 21.631 10.817 2.690 1.00 0.17 N ATOM 723 CA LYS A 46 20.777 10.306 3.736 1.00 0.17 C ATOM 724 C LYS A 46 19.843 9.270 3.142 1.00 0.15 C ATOM 725 O LYS A 46 19.679 8.182 3.683 1.00 0.16 O ATOM 726 CB LYS A 46 19.974 11.449 4.354 1.00 0.21 C ATOM 727 CG LYS A 46 20.811 12.643 4.802 1.00 0.73 C ATOM 728 CD LYS A 46 21.984 12.230 5.670 1.00 1.32 C ATOM 729 CE LYS A 46 21.521 11.535 6.937 1.00 1.72 C ATOM 730 NZ LYS A 46 22.648 10.902 7.670 1.00 2.63 N ATOM 0 H LYS A 46 21.506 11.812 2.502 1.00 0.17 H new ATOM 0 HA LYS A 46 21.381 9.846 4.518 1.00 0.17 H new ATOM 0 HB2 LYS A 46 19.236 11.791 3.628 1.00 0.21 H new ATOM 0 HB3 LYS A 46 19.423 11.066 5.213 1.00 0.21 H new ATOM 0 HG2 LYS A 46 21.180 13.175 3.925 1.00 0.73 H new ATOM 0 HG3 LYS A 46 20.180 13.339 5.355 1.00 0.73 H new ATOM 0 HD2 LYS A 46 22.638 11.564 5.107 1.00 1.32 H new ATOM 0 HD3 LYS A 46 22.573 13.110 5.931 1.00 1.32 H new ATOM 0 HE2 LYS A 46 21.027 12.257 7.587 1.00 1.72 H new ATOM 0 HE3 LYS A 46 20.781 10.775 6.684 1.00 1.72 H new ATOM 0 HZ1 LYS A 46 22.274 10.326 8.451 1.00 2.63 H new ATOM 0 HZ2 LYS A 46 23.187 10.295 7.020 1.00 2.63 H new ATOM 0 HZ3 LYS A 46 23.272 11.641 8.052 1.00 2.63 H new ATOM 744 N LEU A 47 19.247 9.626 2.009 1.00 0.15 N ATOM 745 CA LEU A 47 18.411 8.708 1.246 1.00 0.15 C ATOM 746 C LEU A 47 19.172 7.426 0.932 1.00 0.13 C ATOM 747 O LEU A 47 18.663 6.308 1.148 1.00 0.12 O ATOM 748 CB LEU A 47 17.946 9.402 -0.047 1.00 0.17 C ATOM 749 CG LEU A 47 17.268 8.504 -1.083 1.00 0.19 C ATOM 750 CD1 LEU A 47 16.040 9.191 -1.658 1.00 0.57 C ATOM 751 CD2 LEU A 47 18.241 8.162 -2.201 1.00 0.56 C ATOM 0 H LEU A 47 19.330 10.555 1.596 1.00 0.15 H new ATOM 0 HA LEU A 47 17.537 8.437 1.838 1.00 0.15 H new ATOM 0 HB2 LEU A 47 17.254 10.200 0.221 1.00 0.17 H new ATOM 0 HB3 LEU A 47 18.811 9.873 -0.514 1.00 0.17 H new ATOM 0 HG LEU A 47 16.957 7.583 -0.590 1.00 0.19 H new ATOM 0 HD11 LEU A 47 15.569 8.539 -2.394 1.00 0.57 H new ATOM 0 HD12 LEU A 47 15.333 9.403 -0.856 1.00 0.57 H new ATOM 0 HD13 LEU A 47 16.336 10.124 -2.137 1.00 0.57 H new ATOM 0 HD21 LEU A 47 17.746 7.522 -2.931 1.00 0.56 H new ATOM 0 HD22 LEU A 47 18.573 9.079 -2.688 1.00 0.56 H new ATOM 0 HD23 LEU A 47 19.103 7.639 -1.786 1.00 0.56 H new ATOM 763 N LYS A 48 20.413 7.589 0.475 1.00 0.13 N ATOM 764 CA LYS A 48 21.252 6.448 0.148 1.00 0.13 C ATOM 765 C LYS A 48 21.456 5.600 1.386 1.00 0.12 C ATOM 766 O LYS A 48 21.324 4.379 1.352 1.00 0.13 O ATOM 767 CB LYS A 48 22.622 6.890 -0.379 1.00 0.15 C ATOM 768 CG LYS A 48 22.570 7.896 -1.514 1.00 0.18 C ATOM 769 CD LYS A 48 23.961 8.248 -2.034 1.00 0.31 C ATOM 770 CE LYS A 48 24.745 7.013 -2.479 1.00 0.40 C ATOM 771 NZ LYS A 48 26.160 7.338 -2.828 1.00 0.57 N ATOM 0 H LYS A 48 20.853 8.497 0.325 1.00 0.13 H new ATOM 0 HA LYS A 48 20.749 5.875 -0.631 1.00 0.13 H new ATOM 0 HB2 LYS A 48 23.191 7.321 0.445 1.00 0.15 H new ATOM 0 HB3 LYS A 48 23.168 6.009 -0.717 1.00 0.15 H new ATOM 0 HG2 LYS A 48 21.970 7.491 -2.329 1.00 0.18 H new ATOM 0 HG3 LYS A 48 22.071 8.803 -1.171 1.00 0.18 H new ATOM 0 HD2 LYS A 48 23.869 8.938 -2.872 1.00 0.31 H new ATOM 0 HD3 LYS A 48 24.517 8.767 -1.253 1.00 0.31 H new ATOM 0 HE2 LYS A 48 24.731 6.269 -1.682 1.00 0.40 H new ATOM 0 HE3 LYS A 48 24.254 6.565 -3.342 1.00 0.40 H new ATOM 0 HZ1 LYS A 48 26.671 6.462 -3.058 1.00 0.57 H new ATOM 0 HZ2 LYS A 48 26.177 7.975 -3.650 1.00 0.57 H new ATOM 0 HZ3 LYS A 48 26.619 7.804 -2.019 1.00 0.57 H new ATOM 785 N GLU A 49 21.765 6.274 2.485 1.00 0.12 N ATOM 786 CA GLU A 49 22.030 5.602 3.742 1.00 0.13 C ATOM 787 C GLU A 49 20.793 4.881 4.245 1.00 0.13 C ATOM 788 O GLU A 49 20.890 3.750 4.667 1.00 0.13 O ATOM 789 CB GLU A 49 22.507 6.566 4.823 1.00 0.15 C ATOM 790 CG GLU A 49 23.783 7.307 4.489 1.00 0.20 C ATOM 791 CD GLU A 49 24.363 7.998 5.707 1.00 0.36 C ATOM 792 OE1 GLU A 49 23.939 9.134 6.013 1.00 0.86 O ATOM 793 OE2 GLU A 49 25.236 7.400 6.375 1.00 0.82 O ATOM 0 H GLU A 49 21.838 7.291 2.528 1.00 0.12 H new ATOM 0 HA GLU A 49 22.824 4.883 3.541 1.00 0.13 H new ATOM 0 HB2 GLU A 49 21.719 7.294 5.015 1.00 0.15 H new ATOM 0 HB3 GLU A 49 22.658 6.009 5.747 1.00 0.15 H new ATOM 0 HG2 GLU A 49 24.515 6.608 4.084 1.00 0.20 H new ATOM 0 HG3 GLU A 49 23.583 8.045 3.712 1.00 0.20 H new ATOM 800 N SER A 50 19.635 5.527 4.189 1.00 0.14 N ATOM 801 CA SER A 50 18.423 4.931 4.734 1.00 0.15 C ATOM 802 C SER A 50 18.203 3.545 4.123 1.00 0.13 C ATOM 803 O SER A 50 18.085 2.544 4.858 1.00 0.13 O ATOM 804 CB SER A 50 17.201 5.834 4.499 1.00 0.19 C ATOM 805 OG SER A 50 16.205 5.592 5.478 1.00 1.08 O ATOM 0 H SER A 50 19.510 6.452 3.777 1.00 0.14 H new ATOM 0 HA SER A 50 18.547 4.825 5.812 1.00 0.15 H new ATOM 0 HB2 SER A 50 17.504 6.881 4.532 1.00 0.19 H new ATOM 0 HB3 SER A 50 16.793 5.651 3.505 1.00 0.19 H new ATOM 0 HG SER A 50 15.430 5.163 5.058 1.00 1.08 H new ATOM 811 N TYR A 51 18.224 3.462 2.787 1.00 0.13 N ATOM 812 CA TYR A 51 18.081 2.163 2.129 1.00 0.13 C ATOM 813 C TYR A 51 19.247 1.249 2.489 1.00 0.12 C ATOM 814 O TYR A 51 19.050 0.156 3.016 1.00 0.13 O ATOM 815 CB TYR A 51 17.999 2.282 0.603 1.00 0.18 C ATOM 816 CG TYR A 51 18.054 0.926 -0.085 1.00 0.19 C ATOM 817 CD1 TYR A 51 16.948 0.073 -0.094 1.00 0.41 C ATOM 818 CD2 TYR A 51 19.199 0.513 -0.754 1.00 0.20 C ATOM 819 CE1 TYR A 51 16.989 -1.147 -0.750 1.00 0.45 C ATOM 820 CE2 TYR A 51 19.249 -0.702 -1.412 1.00 0.20 C ATOM 821 CZ TYR A 51 18.161 -1.591 -1.281 1.00 0.29 C ATOM 822 OH TYR A 51 18.197 -2.743 -2.053 1.00 0.33 O ATOM 0 H TYR A 51 18.336 4.257 2.157 1.00 0.13 H new ATOM 0 HA TYR A 51 17.143 1.739 2.488 1.00 0.13 H new ATOM 0 HB2 TYR A 51 17.073 2.789 0.329 1.00 0.18 H new ATOM 0 HB3 TYR A 51 18.820 2.903 0.244 1.00 0.18 H new ATOM 0 HD1 TYR A 51 16.045 0.369 0.419 1.00 0.41 H new ATOM 0 HD2 TYR A 51 20.068 1.154 -0.760 1.00 0.20 H new ATOM 0 HE1 TYR A 51 16.093 -1.744 -0.840 1.00 0.45 H new ATOM 0 HE2 TYR A 51 20.105 -0.966 -2.015 1.00 0.20 H new ATOM 0 HH TYR A 51 19.116 -2.909 -2.350 1.00 0.33 H new ATOM 832 N CYS A 52 20.455 1.733 2.233 1.00 0.12 N ATOM 833 CA CYS A 52 21.671 0.936 2.324 1.00 0.13 C ATOM 834 C CYS A 52 21.860 0.387 3.732 1.00 0.13 C ATOM 835 O CYS A 52 22.103 -0.800 3.931 1.00 0.17 O ATOM 836 CB CYS A 52 22.846 1.838 1.938 1.00 0.16 C ATOM 837 SG CYS A 52 24.412 0.997 1.667 1.00 0.46 S ATOM 0 H CYS A 52 20.620 2.700 1.953 1.00 0.12 H new ATOM 0 HA CYS A 52 21.608 0.080 1.652 1.00 0.13 H new ATOM 0 HB2 CYS A 52 22.582 2.379 1.029 1.00 0.16 H new ATOM 0 HB3 CYS A 52 22.984 2.581 2.723 1.00 0.16 H new ATOM 0 HG CYS A 52 24.903 0.616 2.809 1.00 0.46 H new ATOM 843 N GLN A 53 21.699 1.264 4.694 1.00 0.12 N ATOM 844 CA GLN A 53 21.880 0.946 6.098 1.00 0.14 C ATOM 845 C GLN A 53 20.927 -0.153 6.543 1.00 0.16 C ATOM 846 O GLN A 53 21.361 -1.179 7.068 1.00 0.19 O ATOM 847 CB GLN A 53 21.636 2.209 6.918 1.00 0.17 C ATOM 848 CG GLN A 53 21.579 1.994 8.423 1.00 0.22 C ATOM 849 CD GLN A 53 20.190 2.227 8.998 1.00 0.38 C ATOM 850 OE1 GLN A 53 19.164 1.993 8.188 1.00 0.68 O flip ATOM 851 NE2 GLN A 53 20.042 2.627 10.149 1.00 0.38 N flip ATOM 0 H GLN A 53 21.435 2.235 4.525 1.00 0.12 H new ATOM 0 HA GLN A 53 22.897 0.584 6.252 1.00 0.14 H new ATOM 0 HB2 GLN A 53 22.427 2.926 6.698 1.00 0.17 H new ATOM 0 HB3 GLN A 53 20.698 2.659 6.594 1.00 0.17 H new ATOM 0 HG2 GLN A 53 21.897 0.977 8.653 1.00 0.22 H new ATOM 0 HG3 GLN A 53 22.286 2.666 8.909 1.00 0.22 H new ATOM 0 HE21 GLN A 53 20.857 2.795 10.739 1.00 0.38 H new ATOM 0 HE22 GLN A 53 19.104 2.792 10.515 1.00 0.38 H new ATOM 860 N ARG A 54 19.631 0.036 6.305 1.00 0.17 N ATOM 861 CA ARG A 54 18.655 -0.905 6.842 1.00 0.21 C ATOM 862 C ARG A 54 18.739 -2.211 6.080 1.00 0.23 C ATOM 863 O ARG A 54 18.441 -3.280 6.603 1.00 0.30 O ATOM 864 CB ARG A 54 17.233 -0.329 6.767 1.00 0.22 C ATOM 865 CG ARG A 54 16.563 -0.506 5.422 1.00 0.25 C ATOM 866 CD ARG A 54 15.375 -1.462 5.520 1.00 0.53 C ATOM 867 NE ARG A 54 15.745 -2.780 6.060 1.00 0.93 N ATOM 868 CZ ARG A 54 14.896 -3.620 6.663 1.00 1.03 C ATOM 869 NH1 ARG A 54 13.607 -3.325 6.751 1.00 1.20 N ATOM 870 NH2 ARG A 54 15.335 -4.772 7.159 1.00 1.49 N ATOM 0 H ARG A 54 19.242 0.807 5.762 1.00 0.17 H new ATOM 0 HA ARG A 54 18.884 -1.085 7.892 1.00 0.21 H new ATOM 0 HB2 ARG A 54 16.619 -0.805 7.532 1.00 0.22 H new ATOM 0 HB3 ARG A 54 17.271 0.734 7.005 1.00 0.22 H new ATOM 0 HG2 ARG A 54 16.225 0.461 5.050 1.00 0.25 H new ATOM 0 HG3 ARG A 54 17.284 -0.890 4.701 1.00 0.25 H new ATOM 0 HD2 ARG A 54 14.608 -1.017 6.154 1.00 0.53 H new ATOM 0 HD3 ARG A 54 14.936 -1.590 4.531 1.00 0.53 H new ATOM 0 HE ARG A 54 16.717 -3.074 5.968 1.00 0.93 H new ATOM 0 HH11 ARG A 54 13.256 -2.452 6.357 1.00 1.20 H new ATOM 0 HH12 ARG A 54 12.966 -3.971 7.212 1.00 1.20 H new ATOM 0 HH21 ARG A 54 16.322 -5.018 7.081 1.00 1.49 H new ATOM 0 HH22 ARG A 54 14.685 -5.410 7.618 1.00 1.49 H new ATOM 884 N GLN A 55 19.143 -2.096 4.834 1.00 0.21 N ATOM 885 CA GLN A 55 19.202 -3.233 3.930 1.00 0.25 C ATOM 886 C GLN A 55 20.475 -4.058 4.135 1.00 0.24 C ATOM 887 O GLN A 55 20.682 -5.073 3.468 1.00 0.34 O ATOM 888 CB GLN A 55 19.121 -2.727 2.492 1.00 0.32 C ATOM 889 CG GLN A 55 18.520 -3.712 1.514 1.00 0.49 C ATOM 890 CD GLN A 55 17.079 -4.042 1.821 1.00 1.07 C ATOM 891 OE1 GLN A 55 16.636 -5.171 1.636 1.00 1.93 O ATOM 892 NE2 GLN A 55 16.325 -3.048 2.263 1.00 1.10 N ATOM 0 H GLN A 55 19.440 -1.215 4.415 1.00 0.21 H new ATOM 0 HA GLN A 55 18.359 -3.890 4.143 1.00 0.25 H new ATOM 0 HB2 GLN A 55 18.530 -1.811 2.475 1.00 0.32 H new ATOM 0 HB3 GLN A 55 20.124 -2.466 2.155 1.00 0.32 H new ATOM 0 HG2 GLN A 55 18.586 -3.302 0.506 1.00 0.49 H new ATOM 0 HG3 GLN A 55 19.107 -4.630 1.524 1.00 0.49 H new ATOM 0 HE21 GLN A 55 16.732 -2.123 2.404 1.00 1.10 H new ATOM 0 HE22 GLN A 55 15.337 -3.207 2.463 1.00 1.10 H new ATOM 901 N GLY A 56 21.324 -3.620 5.061 1.00 0.21 N ATOM 902 CA GLY A 56 22.543 -4.349 5.358 1.00 0.23 C ATOM 903 C GLY A 56 23.585 -4.191 4.274 1.00 0.20 C ATOM 904 O GLY A 56 24.294 -5.138 3.931 1.00 0.24 O ATOM 0 H GLY A 56 21.188 -2.772 5.611 1.00 0.21 H new ATOM 0 HA2 GLY A 56 22.952 -3.998 6.306 1.00 0.23 H new ATOM 0 HA3 GLY A 56 22.310 -5.406 5.483 1.00 0.23 H new ATOM 908 N VAL A 57 23.686 -2.983 3.746 1.00 0.17 N ATOM 909 CA VAL A 57 24.608 -2.677 2.663 1.00 0.16 C ATOM 910 C VAL A 57 25.602 -1.622 3.153 1.00 0.14 C ATOM 911 O VAL A 57 25.224 -0.741 3.929 1.00 0.14 O ATOM 912 CB VAL A 57 23.830 -2.100 1.446 1.00 0.16 C ATOM 913 CG1 VAL A 57 24.606 -2.233 0.146 1.00 0.18 C ATOM 914 CG2 VAL A 57 22.461 -2.737 1.313 1.00 0.16 C ATOM 0 H VAL A 57 23.131 -2.185 4.056 1.00 0.17 H new ATOM 0 HA VAL A 57 25.126 -3.587 2.361 1.00 0.16 H new ATOM 0 HB VAL A 57 23.700 -1.035 1.641 1.00 0.16 H new ATOM 0 HG11 VAL A 57 24.019 -1.815 -0.672 1.00 0.18 H new ATOM 0 HG12 VAL A 57 25.549 -1.693 0.229 1.00 0.18 H new ATOM 0 HG13 VAL A 57 24.807 -3.286 -0.052 1.00 0.18 H new ATOM 0 HG21 VAL A 57 21.944 -2.312 0.453 1.00 0.16 H new ATOM 0 HG22 VAL A 57 22.572 -3.812 1.174 1.00 0.16 H new ATOM 0 HG23 VAL A 57 21.881 -2.546 2.216 1.00 0.16 H new ATOM 924 N PRO A 58 26.877 -1.685 2.740 1.00 0.15 N ATOM 925 CA PRO A 58 27.836 -0.625 3.036 1.00 0.15 C ATOM 926 C PRO A 58 27.686 0.516 2.036 1.00 0.15 C ATOM 927 O PRO A 58 27.556 0.292 0.830 1.00 0.15 O ATOM 928 CB PRO A 58 29.176 -1.329 2.877 1.00 0.18 C ATOM 929 CG PRO A 58 28.929 -2.297 1.785 1.00 0.19 C ATOM 930 CD PRO A 58 27.506 -2.780 1.975 1.00 0.17 C ATOM 0 HA PRO A 58 27.708 -0.175 4.020 1.00 0.15 H new ATOM 0 HB2 PRO A 58 29.970 -0.628 2.620 1.00 0.18 H new ATOM 0 HB3 PRO A 58 29.478 -1.830 3.797 1.00 0.18 H new ATOM 0 HG2 PRO A 58 29.055 -1.827 0.810 1.00 0.19 H new ATOM 0 HG3 PRO A 58 29.633 -3.128 1.832 1.00 0.19 H new ATOM 0 HD2 PRO A 58 27.006 -2.944 1.021 1.00 0.17 H new ATOM 0 HD3 PRO A 58 27.470 -3.724 2.519 1.00 0.17 H new ATOM 938 N MET A 59 27.699 1.740 2.550 1.00 0.16 N ATOM 939 CA MET A 59 27.369 2.919 1.758 1.00 0.18 C ATOM 940 C MET A 59 28.295 3.079 0.553 1.00 0.20 C ATOM 941 O MET A 59 27.905 3.651 -0.460 1.00 0.25 O ATOM 942 CB MET A 59 27.426 4.176 2.631 1.00 0.19 C ATOM 943 CG MET A 59 26.195 5.072 2.518 1.00 0.19 C ATOM 944 SD MET A 59 25.842 5.580 0.826 1.00 0.22 S ATOM 945 CE MET A 59 24.555 4.422 0.400 1.00 0.16 C ATOM 0 H MET A 59 27.937 1.943 3.521 1.00 0.16 H new ATOM 0 HA MET A 59 26.356 2.783 1.380 1.00 0.18 H new ATOM 0 HB2 MET A 59 27.550 3.877 3.672 1.00 0.19 H new ATOM 0 HB3 MET A 59 28.309 4.754 2.359 1.00 0.19 H new ATOM 0 HG2 MET A 59 25.331 4.544 2.920 1.00 0.19 H new ATOM 0 HG3 MET A 59 26.341 5.959 3.134 1.00 0.19 H new ATOM 0 HE1 MET A 59 24.010 4.788 -0.470 1.00 0.16 H new ATOM 0 HE2 MET A 59 24.999 3.453 0.170 1.00 0.16 H new ATOM 0 HE3 MET A 59 23.868 4.316 1.240 1.00 0.16 H new ATOM 955 N ASN A 60 29.509 2.559 0.658 1.00 0.22 N ATOM 956 CA ASN A 60 30.497 2.718 -0.414 1.00 0.27 C ATOM 957 C ASN A 60 30.291 1.683 -1.513 1.00 0.23 C ATOM 958 O ASN A 60 30.989 1.682 -2.519 1.00 0.27 O ATOM 959 CB ASN A 60 31.927 2.594 0.119 1.00 0.35 C ATOM 960 CG ASN A 60 32.335 1.151 0.371 1.00 0.61 C ATOM 961 OD1 ASN A 60 31.562 0.354 0.906 1.00 1.10 O ATOM 962 ND2 ASN A 60 33.541 0.802 -0.041 1.00 0.71 N ATOM 0 H ASN A 60 29.837 2.027 1.464 1.00 0.22 H new ATOM 0 HA ASN A 60 30.353 3.717 -0.825 1.00 0.27 H new ATOM 0 HB2 ASN A 60 32.617 3.043 -0.595 1.00 0.35 H new ATOM 0 HB3 ASN A 60 32.015 3.160 1.046 1.00 0.35 H new ATOM 0 HD21 ASN A 60 33.863 -0.158 0.079 1.00 0.71 H new ATOM 0 HD22 ASN A 60 34.150 1.493 -0.479 1.00 0.71 H new ATOM 969 N SER A 61 29.365 0.777 -1.296 1.00 0.19 N ATOM 970 CA SER A 61 29.116 -0.286 -2.244 1.00 0.19 C ATOM 971 C SER A 61 27.862 -0.010 -3.060 1.00 0.15 C ATOM 972 O SER A 61 27.560 -0.736 -4.004 1.00 0.16 O ATOM 973 CB SER A 61 28.993 -1.619 -1.508 1.00 0.23 C ATOM 974 OG SER A 61 28.963 -2.714 -2.407 1.00 0.57 O ATOM 0 H SER A 61 28.770 0.755 -0.468 1.00 0.19 H new ATOM 0 HA SER A 61 29.958 -0.337 -2.935 1.00 0.19 H new ATOM 0 HB2 SER A 61 29.832 -1.734 -0.822 1.00 0.23 H new ATOM 0 HB3 SER A 61 28.085 -1.619 -0.904 1.00 0.23 H new ATOM 0 HG SER A 61 29.875 -3.043 -2.553 1.00 0.57 H new ATOM 980 N LEU A 62 27.138 1.049 -2.734 1.00 0.15 N ATOM 981 CA LEU A 62 25.908 1.332 -3.445 1.00 0.15 C ATOM 982 C LEU A 62 25.797 2.786 -3.858 1.00 0.17 C ATOM 983 O LEU A 62 25.991 3.700 -3.062 1.00 0.23 O ATOM 984 CB LEU A 62 24.700 0.955 -2.604 1.00 0.17 C ATOM 985 CG LEU A 62 23.724 0.003 -3.287 1.00 0.16 C ATOM 986 CD1 LEU A 62 24.460 -1.179 -3.887 1.00 0.18 C ATOM 987 CD2 LEU A 62 22.663 -0.465 -2.305 1.00 0.20 C ATOM 0 H LEU A 62 27.376 1.713 -1.997 1.00 0.15 H new ATOM 0 HA LEU A 62 25.931 0.726 -4.351 1.00 0.15 H new ATOM 0 HB2 LEU A 62 25.047 0.496 -1.678 1.00 0.17 H new ATOM 0 HB3 LEU A 62 24.167 1.865 -2.329 1.00 0.17 H new ATOM 0 HG LEU A 62 23.229 0.540 -4.096 1.00 0.16 H new ATOM 0 HD11 LEU A 62 23.745 -1.846 -4.369 1.00 0.18 H new ATOM 0 HD12 LEU A 62 25.179 -0.823 -4.625 1.00 0.18 H new ATOM 0 HD13 LEU A 62 24.985 -1.719 -3.099 1.00 0.18 H new ATOM 0 HD21 LEU A 62 21.975 -1.144 -2.809 1.00 0.20 H new ATOM 0 HD22 LEU A 62 23.140 -0.984 -1.474 1.00 0.20 H new ATOM 0 HD23 LEU A 62 22.112 0.396 -1.927 1.00 0.20 H new ATOM 999 N ARG A 63 25.423 2.975 -5.106 1.00 0.14 N ATOM 1000 CA ARG A 63 25.242 4.297 -5.672 1.00 0.15 C ATOM 1001 C ARG A 63 23.794 4.483 -6.077 1.00 0.14 C ATOM 1002 O ARG A 63 23.183 3.594 -6.669 1.00 0.16 O ATOM 1003 CB ARG A 63 26.166 4.516 -6.879 1.00 0.19 C ATOM 1004 CG ARG A 63 26.084 3.425 -7.928 1.00 0.25 C ATOM 1005 CD ARG A 63 27.365 3.325 -8.740 1.00 0.28 C ATOM 1006 NE ARG A 63 27.556 4.459 -9.643 1.00 0.89 N ATOM 1007 CZ ARG A 63 28.642 5.230 -9.661 1.00 1.03 C ATOM 1008 NH1 ARG A 63 29.627 5.025 -8.797 1.00 1.24 N ATOM 1009 NH2 ARG A 63 28.755 6.196 -10.565 1.00 1.70 N ATOM 0 H ARG A 63 25.235 2.214 -5.759 1.00 0.14 H new ATOM 0 HA ARG A 63 25.504 5.036 -4.915 1.00 0.15 H new ATOM 0 HB2 ARG A 63 25.919 5.471 -7.343 1.00 0.19 H new ATOM 0 HB3 ARG A 63 27.195 4.590 -6.527 1.00 0.19 H new ATOM 0 HG2 ARG A 63 25.885 2.469 -7.443 1.00 0.25 H new ATOM 0 HG3 ARG A 63 25.245 3.625 -8.595 1.00 0.25 H new ATOM 0 HD2 ARG A 63 28.215 3.260 -8.061 1.00 0.28 H new ATOM 0 HD3 ARG A 63 27.350 2.403 -9.321 1.00 0.28 H new ATOM 0 HE ARG A 63 26.808 4.674 -10.303 1.00 0.89 H new ATOM 0 HH11 ARG A 63 29.556 4.272 -8.112 1.00 1.24 H new ATOM 0 HH12 ARG A 63 30.455 5.620 -8.817 1.00 1.24 H new ATOM 0 HH21 ARG A 63 28.010 6.347 -11.245 1.00 1.70 H new ATOM 0 HH22 ARG A 63 29.586 6.787 -10.579 1.00 1.70 H new ATOM 1023 N PHE A 64 23.247 5.628 -5.724 1.00 0.12 N ATOM 1024 CA PHE A 64 21.874 5.953 -6.048 1.00 0.11 C ATOM 1025 C PHE A 64 21.878 7.008 -7.133 1.00 0.11 C ATOM 1026 O PHE A 64 22.657 7.955 -7.067 1.00 0.11 O ATOM 1027 CB PHE A 64 21.137 6.451 -4.794 1.00 0.11 C ATOM 1028 CG PHE A 64 20.994 5.412 -3.705 1.00 0.11 C ATOM 1029 CD1 PHE A 64 22.102 4.750 -3.187 1.00 0.14 C ATOM 1030 CD2 PHE A 64 19.746 5.104 -3.195 1.00 0.10 C ATOM 1031 CE1 PHE A 64 21.961 3.803 -2.192 1.00 0.15 C ATOM 1032 CE2 PHE A 64 19.599 4.158 -2.198 1.00 0.11 C ATOM 1033 CZ PHE A 64 20.707 3.507 -1.697 1.00 0.12 C ATOM 0 H PHE A 64 23.739 6.356 -5.207 1.00 0.12 H new ATOM 0 HA PHE A 64 21.350 5.067 -6.407 1.00 0.11 H new ATOM 0 HB2 PHE A 64 21.670 7.312 -4.391 1.00 0.11 H new ATOM 0 HB3 PHE A 64 20.145 6.797 -5.083 1.00 0.11 H new ATOM 0 HD1 PHE A 64 23.086 4.980 -3.568 1.00 0.14 H new ATOM 0 HD2 PHE A 64 18.874 5.610 -3.581 1.00 0.10 H new ATOM 0 HE1 PHE A 64 22.830 3.295 -1.802 1.00 0.15 H new ATOM 0 HE2 PHE A 64 18.617 3.929 -1.811 1.00 0.11 H new ATOM 0 HZ PHE A 64 20.594 2.767 -0.919 1.00 0.12 H new ATOM 1043 N LEU A 65 21.081 6.810 -8.174 1.00 0.11 N ATOM 1044 CA LEU A 65 21.119 7.711 -9.313 1.00 0.12 C ATOM 1045 C LEU A 65 19.731 8.126 -9.766 1.00 0.14 C ATOM 1046 O LEU A 65 18.777 7.372 -9.653 1.00 0.15 O ATOM 1047 CB LEU A 65 21.859 7.079 -10.499 1.00 0.13 C ATOM 1048 CG LEU A 65 23.261 6.538 -10.203 1.00 0.14 C ATOM 1049 CD1 LEU A 65 23.190 5.209 -9.485 1.00 0.12 C ATOM 1050 CD2 LEU A 65 24.071 6.399 -11.482 1.00 0.21 C ATOM 0 H LEU A 65 20.411 6.045 -8.252 1.00 0.11 H new ATOM 0 HA LEU A 65 21.655 8.599 -8.977 1.00 0.12 H new ATOM 0 HB2 LEU A 65 21.251 6.263 -10.888 1.00 0.13 H new ATOM 0 HB3 LEU A 65 21.938 7.824 -11.291 1.00 0.13 H new ATOM 0 HG LEU A 65 23.760 7.256 -9.552 1.00 0.14 H new ATOM 0 HD11 LEU A 65 24.199 4.848 -9.287 1.00 0.12 H new ATOM 0 HD12 LEU A 65 22.658 5.333 -8.542 1.00 0.12 H new ATOM 0 HD13 LEU A 65 22.662 4.487 -10.108 1.00 0.12 H new ATOM 0 HD21 LEU A 65 25.062 6.013 -11.245 1.00 0.21 H new ATOM 0 HD22 LEU A 65 23.566 5.710 -12.159 1.00 0.21 H new ATOM 0 HD23 LEU A 65 24.166 7.374 -11.960 1.00 0.21 H new ATOM 1062 N PHE A 66 19.656 9.309 -10.338 1.00 0.16 N ATOM 1063 CA PHE A 66 18.436 9.799 -10.956 1.00 0.23 C ATOM 1064 C PHE A 66 18.531 9.603 -12.466 1.00 0.28 C ATOM 1065 O PHE A 66 19.164 10.391 -13.166 1.00 0.31 O ATOM 1066 CB PHE A 66 18.222 11.282 -10.615 1.00 0.28 C ATOM 1067 CG PHE A 66 17.247 11.992 -11.519 1.00 0.80 C ATOM 1068 CD1 PHE A 66 15.942 11.546 -11.653 1.00 0.91 C ATOM 1069 CD2 PHE A 66 17.645 13.113 -12.231 1.00 1.33 C ATOM 1070 CE1 PHE A 66 15.057 12.198 -12.486 1.00 1.52 C ATOM 1071 CE2 PHE A 66 16.763 13.770 -13.065 1.00 1.95 C ATOM 1072 CZ PHE A 66 15.466 13.315 -13.191 1.00 2.03 C ATOM 0 H PHE A 66 20.439 9.961 -10.389 1.00 0.16 H new ATOM 0 HA PHE A 66 17.582 9.240 -10.573 1.00 0.23 H new ATOM 0 HB2 PHE A 66 17.868 11.359 -9.587 1.00 0.28 H new ATOM 0 HB3 PHE A 66 19.182 11.796 -10.661 1.00 0.28 H new ATOM 0 HD1 PHE A 66 15.614 10.679 -11.099 1.00 0.91 H new ATOM 0 HD2 PHE A 66 18.657 13.477 -12.132 1.00 1.33 H new ATOM 0 HE1 PHE A 66 14.045 11.836 -12.588 1.00 1.52 H new ATOM 0 HE2 PHE A 66 17.087 14.639 -13.618 1.00 1.95 H new ATOM 0 HZ PHE A 66 14.772 13.830 -13.839 1.00 2.03 H new ATOM 1082 N GLU A 67 17.941 8.511 -12.948 1.00 0.37 N ATOM 1083 CA GLU A 67 17.966 8.166 -14.371 1.00 0.46 C ATOM 1084 C GLU A 67 19.410 8.124 -14.887 1.00 0.40 C ATOM 1085 O GLU A 67 19.735 8.663 -15.944 1.00 0.46 O ATOM 1086 CB GLU A 67 17.116 9.161 -15.181 1.00 0.57 C ATOM 1087 CG GLU A 67 16.891 8.753 -16.634 1.00 1.22 C ATOM 1088 CD GLU A 67 16.234 7.394 -16.758 1.00 1.29 C ATOM 1089 OE1 GLU A 67 14.991 7.318 -16.657 1.00 1.63 O ATOM 1090 OE2 GLU A 67 16.952 6.394 -16.950 1.00 1.83 O ATOM 0 H GLU A 67 17.434 7.842 -12.368 1.00 0.37 H new ATOM 0 HA GLU A 67 17.534 7.173 -14.498 1.00 0.46 H new ATOM 0 HB2 GLU A 67 16.148 9.276 -14.693 1.00 0.57 H new ATOM 0 HB3 GLU A 67 17.601 10.137 -15.160 1.00 0.57 H new ATOM 0 HG2 GLU A 67 16.269 9.500 -17.126 1.00 1.22 H new ATOM 0 HG3 GLU A 67 17.847 8.740 -17.157 1.00 1.22 H new ATOM 1097 N GLY A 68 20.284 7.500 -14.109 1.00 0.36 N ATOM 1098 CA GLY A 68 21.669 7.370 -14.515 1.00 0.36 C ATOM 1099 C GLY A 68 22.534 8.525 -14.047 1.00 0.30 C ATOM 1100 O GLY A 68 23.722 8.588 -14.366 1.00 0.35 O ATOM 0 H GLY A 68 20.059 7.082 -13.206 1.00 0.36 H new ATOM 0 HA2 GLY A 68 22.072 6.438 -14.119 1.00 0.36 H new ATOM 0 HA3 GLY A 68 21.719 7.303 -15.602 1.00 0.36 H new ATOM 1104 N GLN A 69 21.951 9.435 -13.280 1.00 0.24 N ATOM 1105 CA GLN A 69 22.690 10.567 -12.759 1.00 0.23 C ATOM 1106 C GLN A 69 23.164 10.231 -11.357 1.00 0.19 C ATOM 1107 O GLN A 69 22.361 10.153 -10.429 1.00 0.18 O ATOM 1108 CB GLN A 69 21.813 11.831 -12.766 1.00 0.25 C ATOM 1109 CG GLN A 69 22.495 13.069 -12.223 1.00 0.26 C ATOM 1110 CD GLN A 69 21.983 13.402 -10.844 1.00 0.35 C ATOM 1111 OE1 GLN A 69 21.035 14.169 -10.685 1.00 0.83 O ATOM 1112 NE2 GLN A 69 22.598 12.815 -9.839 1.00 0.31 N ATOM 0 H GLN A 69 20.969 9.408 -13.007 1.00 0.24 H new ATOM 0 HA GLN A 69 23.555 10.771 -13.390 1.00 0.23 H new ATOM 0 HB2 GLN A 69 21.489 12.028 -13.788 1.00 0.25 H new ATOM 0 HB3 GLN A 69 20.915 11.639 -12.179 1.00 0.25 H new ATOM 0 HG2 GLN A 69 23.573 12.910 -12.187 1.00 0.26 H new ATOM 0 HG3 GLN A 69 22.319 13.910 -12.894 1.00 0.26 H new ATOM 0 HE21 GLN A 69 23.381 12.186 -10.017 1.00 0.31 H new ATOM 0 HE22 GLN A 69 22.292 12.990 -8.882 1.00 0.31 H new ATOM 1121 N ARG A 70 24.460 9.988 -11.225 1.00 0.21 N ATOM 1122 CA ARG A 70 25.054 9.628 -9.946 1.00 0.20 C ATOM 1123 C ARG A 70 24.748 10.680 -8.887 1.00 0.18 C ATOM 1124 O ARG A 70 25.129 11.842 -9.017 1.00 0.21 O ATOM 1125 CB ARG A 70 26.569 9.447 -10.105 1.00 0.26 C ATOM 1126 CG ARG A 70 27.352 9.540 -8.805 1.00 0.83 C ATOM 1127 CD ARG A 70 27.065 8.384 -7.854 1.00 0.50 C ATOM 1128 NE ARG A 70 27.578 8.676 -6.515 1.00 0.89 N ATOM 1129 CZ ARG A 70 28.584 8.023 -5.928 1.00 1.15 C ATOM 1130 NH1 ARG A 70 29.201 7.032 -6.552 1.00 1.52 N ATOM 1131 NH2 ARG A 70 28.997 8.384 -4.721 1.00 1.64 N ATOM 0 H ARG A 70 25.126 10.034 -11.996 1.00 0.21 H new ATOM 0 HA ARG A 70 24.618 8.685 -9.615 1.00 0.20 H new ATOM 0 HB2 ARG A 70 26.761 8.476 -10.562 1.00 0.26 H new ATOM 0 HB3 ARG A 70 26.943 10.203 -10.795 1.00 0.26 H new ATOM 0 HG2 ARG A 70 28.418 9.562 -9.030 1.00 0.83 H new ATOM 0 HG3 ARG A 70 27.111 10.480 -8.309 1.00 0.83 H new ATOM 0 HD2 ARG A 70 25.991 8.204 -7.806 1.00 0.50 H new ATOM 0 HD3 ARG A 70 27.524 7.471 -8.234 1.00 0.50 H new ATOM 0 HE ARG A 70 27.136 9.432 -5.993 1.00 0.89 H new ATOM 0 HH11 ARG A 70 28.909 6.760 -7.491 1.00 1.52 H new ATOM 0 HH12 ARG A 70 29.968 6.540 -6.094 1.00 1.52 H new ATOM 0 HH21 ARG A 70 28.546 9.162 -4.239 1.00 1.64 H new ATOM 0 HH22 ARG A 70 29.766 7.884 -4.274 1.00 1.64 H new ATOM 1145 N ILE A 71 24.032 10.271 -7.854 1.00 0.16 N ATOM 1146 CA ILE A 71 23.721 11.156 -6.750 1.00 0.14 C ATOM 1147 C ILE A 71 24.954 11.359 -5.884 1.00 0.16 C ATOM 1148 O ILE A 71 25.609 10.394 -5.475 1.00 0.17 O ATOM 1149 CB ILE A 71 22.571 10.599 -5.882 1.00 0.12 C ATOM 1150 CG1 ILE A 71 21.232 10.740 -6.601 1.00 0.13 C ATOM 1151 CG2 ILE A 71 22.513 11.296 -4.531 1.00 0.11 C ATOM 1152 CD1 ILE A 71 20.141 9.891 -5.993 1.00 0.15 C ATOM 0 H ILE A 71 23.655 9.328 -7.759 1.00 0.16 H new ATOM 0 HA ILE A 71 23.401 12.109 -7.170 1.00 0.14 H new ATOM 0 HB ILE A 71 22.770 9.541 -5.714 1.00 0.12 H new ATOM 0 HG12 ILE A 71 20.924 11.785 -6.581 1.00 0.13 H new ATOM 0 HG13 ILE A 71 21.358 10.464 -7.648 1.00 0.13 H new ATOM 0 HG21 ILE A 71 21.694 10.882 -3.943 1.00 0.11 H new ATOM 0 HG22 ILE A 71 23.453 11.142 -4.002 1.00 0.11 H new ATOM 0 HG23 ILE A 71 22.350 12.364 -4.679 1.00 0.11 H new ATOM 0 HD11 ILE A 71 19.215 10.036 -6.549 1.00 0.15 H new ATOM 0 HD12 ILE A 71 20.430 8.841 -6.037 1.00 0.15 H new ATOM 0 HD13 ILE A 71 19.990 10.183 -4.954 1.00 0.15 H new ATOM 1164 N ALA A 72 25.259 12.610 -5.600 1.00 0.19 N ATOM 1165 CA ALA A 72 26.353 12.931 -4.715 1.00 0.21 C ATOM 1166 C ALA A 72 25.801 13.094 -3.315 1.00 0.21 C ATOM 1167 O ALA A 72 24.662 13.522 -3.135 1.00 0.23 O ATOM 1168 CB ALA A 72 27.060 14.195 -5.167 1.00 0.23 C ATOM 0 H ALA A 72 24.762 13.419 -5.972 1.00 0.19 H new ATOM 0 HA ALA A 72 27.088 12.127 -4.730 1.00 0.21 H new ATOM 0 HB1 ALA A 72 27.881 14.417 -4.485 1.00 0.23 H new ATOM 0 HB2 ALA A 72 27.453 14.052 -6.173 1.00 0.23 H new ATOM 0 HB3 ALA A 72 26.355 15.026 -5.168 1.00 0.23 H new ATOM 1174 N ASP A 73 26.612 12.738 -2.341 1.00 0.28 N ATOM 1175 CA ASP A 73 26.212 12.700 -0.955 1.00 0.32 C ATOM 1176 C ASP A 73 25.722 14.055 -0.454 1.00 0.27 C ATOM 1177 O ASP A 73 24.819 14.126 0.376 1.00 0.32 O ATOM 1178 CB ASP A 73 27.393 12.211 -0.132 1.00 0.46 C ATOM 1179 CG ASP A 73 27.872 10.850 -0.605 1.00 1.53 C ATOM 1180 OD1 ASP A 73 27.050 9.911 -0.641 1.00 2.03 O ATOM 1181 OD2 ASP A 73 29.083 10.705 -0.896 1.00 2.13 O ATOM 0 H ASP A 73 27.582 12.463 -2.495 1.00 0.28 H new ATOM 0 HA ASP A 73 25.369 12.018 -0.851 1.00 0.32 H new ATOM 0 HB2 ASP A 73 28.209 12.930 -0.201 1.00 0.46 H new ATOM 0 HB3 ASP A 73 27.107 12.153 0.918 1.00 0.46 H new ATOM 1186 N ASN A 74 26.299 15.132 -0.965 1.00 0.27 N ATOM 1187 CA ASN A 74 25.872 16.466 -0.553 1.00 0.28 C ATOM 1188 C ASN A 74 24.827 17.044 -1.511 1.00 0.21 C ATOM 1189 O ASN A 74 24.489 18.220 -1.424 1.00 0.24 O ATOM 1190 CB ASN A 74 27.068 17.429 -0.447 1.00 0.37 C ATOM 1191 CG ASN A 74 27.640 17.880 -1.792 1.00 0.55 C ATOM 1192 OD1 ASN A 74 27.657 16.998 -2.779 1.00 0.90 O flip ATOM 1193 ND2 ASN A 74 28.090 19.015 -1.930 1.00 0.44 N flip ATOM 0 H ASN A 74 27.051 15.114 -1.654 1.00 0.27 H new ATOM 0 HA ASN A 74 25.418 16.361 0.432 1.00 0.28 H new ATOM 0 HB2 ASN A 74 26.760 18.310 0.116 1.00 0.37 H new ATOM 0 HB3 ASN A 74 27.859 16.945 0.126 1.00 0.37 H new ATOM 0 HD21 ASN A 74 28.063 19.673 -1.151 1.00 0.44 H new ATOM 0 HD22 ASN A 74 28.491 19.300 -2.824 1.00 0.44 H new ATOM 1200 N HIS A 75 24.311 16.213 -2.408 1.00 0.15 N ATOM 1201 CA HIS A 75 23.325 16.660 -3.386 1.00 0.12 C ATOM 1202 C HIS A 75 21.913 16.295 -2.959 1.00 0.12 C ATOM 1203 O HIS A 75 21.710 15.300 -2.277 1.00 0.15 O ATOM 1204 CB HIS A 75 23.653 16.112 -4.772 1.00 0.12 C ATOM 1205 CG HIS A 75 24.521 17.047 -5.561 1.00 0.18 C ATOM 1206 ND1 HIS A 75 24.524 18.409 -5.357 1.00 1.12 N ATOM 1207 CD2 HIS A 75 25.416 16.821 -6.551 1.00 1.02 C ATOM 1208 CE1 HIS A 75 25.376 18.978 -6.181 1.00 0.85 C ATOM 1209 NE2 HIS A 75 25.937 18.039 -6.919 1.00 0.58 N ATOM 0 H HIS A 75 24.558 15.226 -2.479 1.00 0.15 H new ATOM 0 HA HIS A 75 23.371 17.748 -3.438 1.00 0.12 H new ATOM 0 HB2 HIS A 75 24.156 15.150 -4.671 1.00 0.12 H new ATOM 0 HB3 HIS A 75 22.727 15.931 -5.318 1.00 0.12 H new ATOM 0 HD1 HIS A 75 23.952 18.902 -4.671 1.00 1.12 H new ATOM 0 HD2 HIS A 75 25.673 15.861 -6.974 1.00 1.02 H new ATOM 0 HE1 HIS A 75 25.582 20.036 -6.243 1.00 0.85 H new ATOM 1218 N THR A 76 20.949 17.129 -3.334 1.00 0.12 N ATOM 1219 CA THR A 76 19.545 16.905 -2.997 1.00 0.12 C ATOM 1220 C THR A 76 18.702 16.967 -4.269 1.00 0.12 C ATOM 1221 O THR A 76 19.200 17.432 -5.296 1.00 0.14 O ATOM 1222 CB THR A 76 19.031 17.977 -2.007 1.00 0.14 C ATOM 1223 OG1 THR A 76 18.612 19.155 -2.709 1.00 0.16 O ATOM 1224 CG2 THR A 76 20.120 18.357 -1.015 1.00 0.14 C ATOM 0 H THR A 76 21.116 17.976 -3.878 1.00 0.12 H new ATOM 0 HA THR A 76 19.460 15.924 -2.529 1.00 0.12 H new ATOM 0 HB THR A 76 18.182 17.552 -1.471 1.00 0.14 H new ATOM 0 HG1 THR A 76 17.634 19.217 -2.690 1.00 0.16 H new ATOM 0 HG21 THR A 76 19.739 19.112 -0.328 1.00 0.14 H new ATOM 0 HG22 THR A 76 20.424 17.474 -0.452 1.00 0.14 H new ATOM 0 HG23 THR A 76 20.979 18.757 -1.553 1.00 0.14 H new ATOM 1232 N PRO A 77 17.431 16.524 -4.246 1.00 0.13 N ATOM 1233 CA PRO A 77 16.560 16.604 -5.422 1.00 0.16 C ATOM 1234 C PRO A 77 16.468 18.020 -5.983 1.00 0.16 C ATOM 1235 O PRO A 77 16.468 18.220 -7.198 1.00 0.18 O ATOM 1236 CB PRO A 77 15.193 16.139 -4.905 1.00 0.18 C ATOM 1237 CG PRO A 77 15.299 16.174 -3.418 1.00 0.26 C ATOM 1238 CD PRO A 77 16.740 15.900 -3.109 1.00 0.14 C ATOM 0 HA PRO A 77 16.940 15.997 -6.244 1.00 0.16 H new ATOM 0 HB2 PRO A 77 14.396 16.794 -5.258 1.00 0.18 H new ATOM 0 HB3 PRO A 77 14.960 15.135 -5.259 1.00 0.18 H new ATOM 0 HG2 PRO A 77 14.992 17.144 -3.026 1.00 0.26 H new ATOM 0 HG3 PRO A 77 14.651 15.426 -2.961 1.00 0.26 H new ATOM 0 HD2 PRO A 77 17.042 16.340 -2.159 1.00 0.14 H new ATOM 0 HD3 PRO A 77 16.946 14.831 -3.045 1.00 0.14 H new ATOM 1246 N LYS A 78 16.429 18.997 -5.079 1.00 0.17 N ATOM 1247 CA LYS A 78 16.349 20.409 -5.444 1.00 0.19 C ATOM 1248 C LYS A 78 17.510 20.780 -6.356 1.00 0.19 C ATOM 1249 O LYS A 78 17.335 21.445 -7.376 1.00 0.22 O ATOM 1250 CB LYS A 78 16.372 21.261 -4.159 1.00 0.22 C ATOM 1251 CG LYS A 78 16.071 22.746 -4.339 1.00 0.59 C ATOM 1252 CD LYS A 78 17.272 23.536 -4.846 1.00 0.48 C ATOM 1253 CE LYS A 78 18.432 23.487 -3.864 1.00 0.51 C ATOM 1254 NZ LYS A 78 19.590 24.302 -4.320 1.00 1.24 N ATOM 0 H LYS A 78 16.452 18.831 -4.073 1.00 0.17 H new ATOM 0 HA LYS A 78 15.421 20.599 -5.984 1.00 0.19 H new ATOM 0 HB2 LYS A 78 15.648 20.846 -3.458 1.00 0.22 H new ATOM 0 HB3 LYS A 78 17.355 21.162 -3.698 1.00 0.22 H new ATOM 0 HG2 LYS A 78 15.244 22.862 -5.039 1.00 0.59 H new ATOM 0 HG3 LYS A 78 15.743 23.163 -3.387 1.00 0.59 H new ATOM 0 HD2 LYS A 78 17.592 23.135 -5.808 1.00 0.48 H new ATOM 0 HD3 LYS A 78 16.981 24.573 -5.014 1.00 0.48 H new ATOM 0 HE2 LYS A 78 18.097 23.847 -2.891 1.00 0.51 H new ATOM 0 HE3 LYS A 78 18.748 22.453 -3.730 1.00 0.51 H new ATOM 0 HZ1 LYS A 78 20.356 24.239 -3.620 1.00 1.24 H new ATOM 0 HZ2 LYS A 78 19.928 23.944 -5.236 1.00 1.24 H new ATOM 0 HZ3 LYS A 78 19.297 25.294 -4.423 1.00 1.24 H new ATOM 1268 N GLU A 79 18.696 20.333 -5.981 1.00 0.16 N ATOM 1269 CA GLU A 79 19.907 20.662 -6.713 1.00 0.17 C ATOM 1270 C GLU A 79 19.960 19.922 -8.044 1.00 0.18 C ATOM 1271 O GLU A 79 20.393 20.470 -9.054 1.00 0.24 O ATOM 1272 CB GLU A 79 21.133 20.297 -5.885 1.00 0.18 C ATOM 1273 CG GLU A 79 20.915 20.423 -4.394 1.00 0.19 C ATOM 1274 CD GLU A 79 22.221 20.518 -3.646 1.00 0.46 C ATOM 1275 OE1 GLU A 79 22.959 19.513 -3.588 1.00 0.65 O ATOM 1276 OE2 GLU A 79 22.499 21.586 -3.085 1.00 0.71 O ATOM 0 H GLU A 79 18.847 19.737 -5.167 1.00 0.16 H new ATOM 0 HA GLU A 79 19.900 21.734 -6.909 1.00 0.17 H new ATOM 0 HB2 GLU A 79 21.425 19.273 -6.116 1.00 0.18 H new ATOM 0 HB3 GLU A 79 21.964 20.939 -6.178 1.00 0.18 H new ATOM 0 HG2 GLU A 79 20.312 21.307 -4.188 1.00 0.19 H new ATOM 0 HG3 GLU A 79 20.351 19.562 -4.034 1.00 0.19 H new ATOM 1283 N LEU A 80 19.517 18.672 -8.031 1.00 0.15 N ATOM 1284 CA LEU A 80 19.617 17.809 -9.203 1.00 0.17 C ATOM 1285 C LEU A 80 18.499 18.098 -10.198 1.00 0.20 C ATOM 1286 O LEU A 80 18.487 17.563 -11.307 1.00 0.28 O ATOM 1287 CB LEU A 80 19.577 16.342 -8.773 1.00 0.16 C ATOM 1288 CG LEU A 80 20.447 15.998 -7.562 1.00 0.13 C ATOM 1289 CD1 LEU A 80 20.476 14.505 -7.315 1.00 0.15 C ATOM 1290 CD2 LEU A 80 21.857 16.534 -7.720 1.00 0.13 C ATOM 0 H LEU A 80 19.084 18.231 -7.220 1.00 0.15 H new ATOM 0 HA LEU A 80 20.566 18.013 -9.698 1.00 0.17 H new ATOM 0 HB2 LEU A 80 18.545 16.073 -8.548 1.00 0.16 H new ATOM 0 HB3 LEU A 80 19.891 15.724 -9.614 1.00 0.16 H new ATOM 0 HG LEU A 80 19.997 16.481 -6.695 1.00 0.13 H new ATOM 0 HD11 LEU A 80 21.102 14.292 -6.449 1.00 0.15 H new ATOM 0 HD12 LEU A 80 19.463 14.147 -7.128 1.00 0.15 H new ATOM 0 HD13 LEU A 80 20.884 13.999 -8.190 1.00 0.15 H new ATOM 0 HD21 LEU A 80 22.447 16.271 -6.842 1.00 0.13 H new ATOM 0 HD22 LEU A 80 22.315 16.098 -8.608 1.00 0.13 H new ATOM 0 HD23 LEU A 80 21.824 17.619 -7.824 1.00 0.13 H new ATOM 1302 N GLY A 81 17.566 18.943 -9.793 1.00 0.21 N ATOM 1303 CA GLY A 81 16.479 19.326 -10.667 1.00 0.25 C ATOM 1304 C GLY A 81 15.364 18.302 -10.694 1.00 0.25 C ATOM 1305 O GLY A 81 14.597 18.239 -11.657 1.00 0.30 O ATOM 0 H GLY A 81 17.542 19.373 -8.868 1.00 0.21 H new ATOM 0 HA2 GLY A 81 16.078 20.286 -10.342 1.00 0.25 H new ATOM 0 HA3 GLY A 81 16.863 19.466 -11.678 1.00 0.25 H new ATOM 1309 N MET A 82 15.261 17.513 -9.634 1.00 0.22 N ATOM 1310 CA MET A 82 14.191 16.532 -9.519 1.00 0.26 C ATOM 1311 C MET A 82 13.087 17.093 -8.643 1.00 0.26 C ATOM 1312 O MET A 82 13.243 18.153 -8.036 1.00 0.31 O ATOM 1313 CB MET A 82 14.685 15.198 -8.938 1.00 0.36 C ATOM 1314 CG MET A 82 16.109 15.234 -8.411 1.00 0.42 C ATOM 1315 SD MET A 82 16.479 13.876 -7.282 1.00 1.25 S ATOM 1316 CE MET A 82 16.002 12.466 -8.270 1.00 1.17 C ATOM 0 H MET A 82 15.904 17.533 -8.842 1.00 0.22 H new ATOM 0 HA MET A 82 13.815 16.331 -10.522 1.00 0.26 H new ATOM 0 HB2 MET A 82 14.018 14.898 -8.129 1.00 0.36 H new ATOM 0 HB3 MET A 82 14.615 14.431 -9.709 1.00 0.36 H new ATOM 0 HG2 MET A 82 16.802 15.199 -9.251 1.00 0.42 H new ATOM 0 HG3 MET A 82 16.277 16.181 -7.898 1.00 0.42 H new ATOM 0 HE1 MET A 82 16.693 11.643 -8.087 1.00 1.17 H new ATOM 0 HE2 MET A 82 14.992 12.158 -8.001 1.00 1.17 H new ATOM 0 HE3 MET A 82 16.030 12.735 -9.326 1.00 1.17 H new ATOM 1326 N GLU A 83 11.989 16.373 -8.566 1.00 0.27 N ATOM 1327 CA GLU A 83 10.829 16.828 -7.835 1.00 0.31 C ATOM 1328 C GLU A 83 10.125 15.627 -7.208 1.00 0.24 C ATOM 1329 O GLU A 83 10.682 14.527 -7.176 1.00 0.25 O ATOM 1330 CB GLU A 83 9.888 17.584 -8.777 1.00 0.43 C ATOM 1331 CG GLU A 83 8.933 18.530 -8.070 1.00 1.32 C ATOM 1332 CD GLU A 83 7.997 19.224 -9.032 1.00 1.54 C ATOM 1333 OE1 GLU A 83 8.397 20.251 -9.609 1.00 2.04 O ATOM 1334 OE2 GLU A 83 6.857 18.749 -9.206 1.00 1.86 O ATOM 0 H GLU A 83 11.876 15.460 -9.007 1.00 0.27 H new ATOM 0 HA GLU A 83 11.134 17.508 -7.040 1.00 0.31 H new ATOM 0 HB2 GLU A 83 10.485 18.153 -9.490 1.00 0.43 H new ATOM 0 HB3 GLU A 83 9.308 16.861 -9.351 1.00 0.43 H new ATOM 0 HG2 GLU A 83 8.350 17.973 -7.337 1.00 1.32 H new ATOM 0 HG3 GLU A 83 9.506 19.277 -7.521 1.00 1.32 H new ATOM 1341 N GLU A 84 8.931 15.839 -6.684 1.00 0.22 N ATOM 1342 CA GLU A 84 8.150 14.760 -6.109 1.00 0.21 C ATOM 1343 C GLU A 84 7.900 13.653 -7.137 1.00 0.20 C ATOM 1344 O GLU A 84 7.601 13.916 -8.305 1.00 0.22 O ATOM 1345 CB GLU A 84 6.834 15.304 -5.543 1.00 0.23 C ATOM 1346 CG GLU A 84 6.415 14.655 -4.227 1.00 0.37 C ATOM 1347 CD GLU A 84 5.654 13.370 -4.393 1.00 0.75 C ATOM 1348 OE1 GLU A 84 4.427 13.441 -4.570 1.00 1.30 O ATOM 1349 OE2 GLU A 84 6.282 12.292 -4.393 1.00 1.20 O ATOM 0 H GLU A 84 8.480 16.753 -6.645 1.00 0.22 H new ATOM 0 HA GLU A 84 8.718 14.319 -5.290 1.00 0.21 H new ATOM 0 HB2 GLU A 84 6.931 16.379 -5.392 1.00 0.23 H new ATOM 0 HB3 GLU A 84 6.044 15.155 -6.279 1.00 0.23 H new ATOM 0 HG2 GLU A 84 7.306 14.463 -3.629 1.00 0.37 H new ATOM 0 HG3 GLU A 84 5.800 15.359 -3.666 1.00 0.37 H new ATOM 1356 N GLU A 85 8.085 12.427 -6.670 1.00 0.23 N ATOM 1357 CA GLU A 85 7.795 11.200 -7.412 1.00 0.25 C ATOM 1358 C GLU A 85 8.871 10.860 -8.439 1.00 0.23 C ATOM 1359 O GLU A 85 8.640 10.032 -9.325 1.00 0.26 O ATOM 1360 CB GLU A 85 6.425 11.266 -8.083 1.00 0.31 C ATOM 1361 CG GLU A 85 5.310 11.624 -7.123 1.00 0.66 C ATOM 1362 CD GLU A 85 4.084 10.758 -7.319 1.00 0.82 C ATOM 1363 OE1 GLU A 85 3.433 10.876 -8.378 1.00 1.17 O ATOM 1364 OE2 GLU A 85 3.777 9.945 -6.418 1.00 1.39 O ATOM 0 H GLU A 85 8.452 12.249 -5.735 1.00 0.23 H new ATOM 0 HA GLU A 85 7.787 10.397 -6.675 1.00 0.25 H new ATOM 0 HB2 GLU A 85 6.455 12.002 -8.886 1.00 0.31 H new ATOM 0 HB3 GLU A 85 6.205 10.302 -8.543 1.00 0.31 H new ATOM 0 HG2 GLU A 85 5.667 11.518 -6.099 1.00 0.66 H new ATOM 0 HG3 GLU A 85 5.038 12.671 -7.259 1.00 0.66 H new ATOM 1371 N ASP A 86 10.041 11.475 -8.326 1.00 0.19 N ATOM 1372 CA ASP A 86 11.137 11.157 -9.233 1.00 0.18 C ATOM 1373 C ASP A 86 11.757 9.812 -8.886 1.00 0.16 C ATOM 1374 O ASP A 86 11.643 9.341 -7.757 1.00 0.19 O ATOM 1375 CB ASP A 86 12.196 12.262 -9.267 1.00 0.21 C ATOM 1376 CG ASP A 86 11.898 13.286 -10.341 1.00 0.45 C ATOM 1377 OD1 ASP A 86 12.245 13.043 -11.511 1.00 0.79 O ATOM 1378 OD2 ASP A 86 11.304 14.331 -10.027 1.00 0.68 O ATOM 0 H ASP A 86 10.255 12.186 -7.627 1.00 0.19 H new ATOM 0 HA ASP A 86 10.716 11.089 -10.236 1.00 0.18 H new ATOM 0 HB2 ASP A 86 12.240 12.755 -8.296 1.00 0.21 H new ATOM 0 HB3 ASP A 86 13.177 11.821 -9.446 1.00 0.21 H new ATOM 1383 N VAL A 87 12.410 9.197 -9.858 1.00 0.16 N ATOM 1384 CA VAL A 87 12.908 7.840 -9.699 1.00 0.15 C ATOM 1385 C VAL A 87 14.429 7.812 -9.527 1.00 0.14 C ATOM 1386 O VAL A 87 15.168 8.536 -10.199 1.00 0.16 O ATOM 1387 CB VAL A 87 12.486 6.944 -10.891 1.00 0.19 C ATOM 1388 CG1 VAL A 87 13.060 7.460 -12.202 1.00 0.25 C ATOM 1389 CG2 VAL A 87 12.888 5.493 -10.659 1.00 0.23 C ATOM 0 H VAL A 87 12.608 9.616 -10.767 1.00 0.16 H new ATOM 0 HA VAL A 87 12.459 7.440 -8.790 1.00 0.15 H new ATOM 0 HB VAL A 87 11.399 6.986 -10.962 1.00 0.19 H new ATOM 0 HG11 VAL A 87 12.745 6.809 -13.018 1.00 0.25 H new ATOM 0 HG12 VAL A 87 12.698 8.472 -12.384 1.00 0.25 H new ATOM 0 HG13 VAL A 87 14.148 7.469 -12.144 1.00 0.25 H new ATOM 0 HG21 VAL A 87 12.579 4.889 -11.512 1.00 0.23 H new ATOM 0 HG22 VAL A 87 13.970 5.429 -10.543 1.00 0.23 H new ATOM 0 HG23 VAL A 87 12.403 5.121 -9.756 1.00 0.23 H new ATOM 1399 N ILE A 88 14.874 6.981 -8.600 1.00 0.12 N ATOM 1400 CA ILE A 88 16.282 6.804 -8.305 1.00 0.12 C ATOM 1401 C ILE A 88 16.639 5.320 -8.338 1.00 0.12 C ATOM 1402 O ILE A 88 16.016 4.507 -7.659 1.00 0.16 O ATOM 1403 CB ILE A 88 16.642 7.418 -6.933 1.00 0.13 C ATOM 1404 CG1 ILE A 88 16.618 8.948 -7.024 1.00 0.16 C ATOM 1405 CG2 ILE A 88 17.999 6.930 -6.451 1.00 0.14 C ATOM 1406 CD1 ILE A 88 16.657 9.633 -5.674 1.00 0.20 C ATOM 0 H ILE A 88 14.259 6.405 -8.026 1.00 0.12 H new ATOM 0 HA ILE A 88 16.862 7.325 -9.067 1.00 0.12 H new ATOM 0 HB ILE A 88 15.898 7.095 -6.205 1.00 0.13 H new ATOM 0 HG12 ILE A 88 17.469 9.282 -7.617 1.00 0.16 H new ATOM 0 HG13 ILE A 88 15.718 9.259 -7.555 1.00 0.16 H new ATOM 0 HG21 ILE A 88 18.225 7.379 -5.484 1.00 0.14 H new ATOM 0 HG22 ILE A 88 17.981 5.845 -6.352 1.00 0.14 H new ATOM 0 HG23 ILE A 88 18.765 7.216 -7.171 1.00 0.14 H new ATOM 0 HD11 ILE A 88 16.637 10.714 -5.814 1.00 0.20 H new ATOM 0 HD12 ILE A 88 15.792 9.327 -5.086 1.00 0.20 H new ATOM 0 HD13 ILE A 88 17.570 9.352 -5.149 1.00 0.20 H new ATOM 1418 N GLU A 89 17.635 4.979 -9.133 1.00 0.11 N ATOM 1419 CA GLU A 89 18.030 3.593 -9.322 1.00 0.11 C ATOM 1420 C GLU A 89 19.342 3.322 -8.606 1.00 0.11 C ATOM 1421 O GLU A 89 20.191 4.205 -8.497 1.00 0.13 O ATOM 1422 CB GLU A 89 18.169 3.286 -10.812 1.00 0.16 C ATOM 1423 CG GLU A 89 16.889 3.530 -11.594 1.00 0.26 C ATOM 1424 CD GLU A 89 17.055 3.291 -13.077 1.00 0.74 C ATOM 1425 OE1 GLU A 89 17.481 4.223 -13.787 1.00 0.94 O ATOM 1426 OE2 GLU A 89 16.770 2.166 -13.536 1.00 1.35 O ATOM 0 H GLU A 89 18.191 5.649 -9.664 1.00 0.11 H new ATOM 0 HA GLU A 89 17.261 2.946 -8.901 1.00 0.11 H new ATOM 0 HB2 GLU A 89 18.966 3.901 -11.230 1.00 0.16 H new ATOM 0 HB3 GLU A 89 18.470 2.246 -10.936 1.00 0.16 H new ATOM 0 HG2 GLU A 89 16.104 2.877 -11.211 1.00 0.26 H new ATOM 0 HG3 GLU A 89 16.559 4.556 -11.431 1.00 0.26 H new ATOM 1433 N VAL A 90 19.490 2.110 -8.109 1.00 0.10 N ATOM 1434 CA VAL A 90 20.671 1.726 -7.367 1.00 0.11 C ATOM 1435 C VAL A 90 21.595 0.865 -8.209 1.00 0.10 C ATOM 1436 O VAL A 90 21.161 -0.044 -8.917 1.00 0.12 O ATOM 1437 CB VAL A 90 20.279 0.984 -6.067 1.00 0.12 C ATOM 1438 CG1 VAL A 90 21.396 0.094 -5.569 1.00 0.12 C ATOM 1439 CG2 VAL A 90 19.893 1.977 -4.986 1.00 0.15 C ATOM 0 H VAL A 90 18.798 1.368 -8.208 1.00 0.10 H new ATOM 0 HA VAL A 90 21.208 2.637 -7.102 1.00 0.11 H new ATOM 0 HB VAL A 90 19.423 0.351 -6.301 1.00 0.12 H new ATOM 0 HG11 VAL A 90 21.081 -0.409 -4.655 1.00 0.12 H new ATOM 0 HG12 VAL A 90 21.634 -0.650 -6.329 1.00 0.12 H new ATOM 0 HG13 VAL A 90 22.279 0.699 -5.364 1.00 0.12 H new ATOM 0 HG21 VAL A 90 19.620 1.439 -4.078 1.00 0.15 H new ATOM 0 HG22 VAL A 90 20.737 2.635 -4.778 1.00 0.15 H new ATOM 0 HG23 VAL A 90 19.044 2.572 -5.324 1.00 0.15 H new ATOM 1449 N TYR A 91 22.869 1.180 -8.118 1.00 0.12 N ATOM 1450 CA TYR A 91 23.922 0.434 -8.770 1.00 0.14 C ATOM 1451 C TYR A 91 25.026 0.238 -7.750 1.00 0.14 C ATOM 1452 O TYR A 91 24.969 0.803 -6.663 1.00 0.20 O ATOM 1453 CB TYR A 91 24.452 1.172 -10.008 1.00 0.17 C ATOM 1454 CG TYR A 91 23.444 1.316 -11.125 1.00 0.19 C ATOM 1455 CD1 TYR A 91 23.218 0.285 -12.026 1.00 0.43 C ATOM 1456 CD2 TYR A 91 22.729 2.490 -11.281 1.00 0.26 C ATOM 1457 CE1 TYR A 91 22.299 0.425 -13.047 1.00 0.49 C ATOM 1458 CE2 TYR A 91 21.810 2.643 -12.294 1.00 0.25 C ATOM 1459 CZ TYR A 91 21.601 1.608 -13.179 1.00 0.30 C ATOM 1460 OH TYR A 91 20.685 1.751 -14.193 1.00 0.36 O ATOM 0 H TYR A 91 23.208 1.977 -7.579 1.00 0.12 H new ATOM 0 HA TYR A 91 23.540 -0.525 -9.121 1.00 0.14 H new ATOM 0 HB2 TYR A 91 24.789 2.164 -9.708 1.00 0.17 H new ATOM 0 HB3 TYR A 91 25.324 0.640 -10.388 1.00 0.17 H new ATOM 0 HD1 TYR A 91 23.768 -0.639 -11.927 1.00 0.43 H new ATOM 0 HD2 TYR A 91 22.896 3.305 -10.592 1.00 0.26 H new ATOM 0 HE1 TYR A 91 22.127 -0.387 -13.738 1.00 0.49 H new ATOM 0 HE2 TYR A 91 21.258 3.566 -12.394 1.00 0.25 H new ATOM 0 HH TYR A 91 20.280 2.642 -14.145 1.00 0.36 H new ATOM 1470 N GLN A 92 26.006 -0.571 -8.069 1.00 0.19 N ATOM 1471 CA GLN A 92 27.061 -0.870 -7.125 1.00 0.21 C ATOM 1472 C GLN A 92 28.179 0.159 -7.245 1.00 0.23 C ATOM 1473 O GLN A 92 28.648 0.453 -8.344 1.00 0.26 O ATOM 1474 CB GLN A 92 27.595 -2.275 -7.374 1.00 0.27 C ATOM 1475 CG GLN A 92 28.082 -2.948 -6.108 1.00 0.24 C ATOM 1476 CD GLN A 92 27.236 -4.137 -5.709 1.00 0.36 C ATOM 1477 OE1 GLN A 92 27.488 -5.268 -6.132 1.00 0.37 O ATOM 1478 NE2 GLN A 92 26.231 -3.891 -4.883 1.00 0.68 N ATOM 0 H GLN A 92 26.098 -1.035 -8.973 1.00 0.19 H new ATOM 0 HA GLN A 92 26.659 -0.824 -6.113 1.00 0.21 H new ATOM 0 HB2 GLN A 92 26.811 -2.883 -7.825 1.00 0.27 H new ATOM 0 HB3 GLN A 92 28.413 -2.226 -8.093 1.00 0.27 H new ATOM 0 HG2 GLN A 92 29.113 -3.273 -6.249 1.00 0.24 H new ATOM 0 HG3 GLN A 92 28.085 -2.222 -5.295 1.00 0.24 H new ATOM 0 HE21 GLN A 92 26.059 -2.940 -4.558 1.00 0.68 H new ATOM 0 HE22 GLN A 92 25.629 -4.653 -4.572 1.00 0.68 H new ATOM 1487 N GLU A 93 28.592 0.715 -6.108 1.00 0.25 N ATOM 1488 CA GLU A 93 29.623 1.744 -6.086 1.00 0.28 C ATOM 1489 C GLU A 93 31.013 1.120 -6.163 1.00 0.32 C ATOM 1490 O GLU A 93 31.775 1.413 -7.083 1.00 0.35 O ATOM 1491 CB GLU A 93 29.488 2.610 -4.831 1.00 0.29 C ATOM 1492 CG GLU A 93 28.832 3.946 -5.104 1.00 0.42 C ATOM 1493 CD GLU A 93 28.905 4.921 -3.946 1.00 1.03 C ATOM 1494 OE1 GLU A 93 29.966 5.003 -3.299 1.00 1.25 O ATOM 1495 OE2 GLU A 93 27.908 5.643 -3.714 1.00 1.79 O ATOM 0 H GLU A 93 28.226 0.468 -5.189 1.00 0.25 H new ATOM 0 HA GLU A 93 29.489 2.381 -6.960 1.00 0.28 H new ATOM 0 HB2 GLU A 93 28.905 2.071 -4.085 1.00 0.29 H new ATOM 0 HB3 GLU A 93 30.477 2.777 -4.403 1.00 0.29 H new ATOM 0 HG2 GLU A 93 29.304 4.399 -5.976 1.00 0.42 H new ATOM 0 HG3 GLU A 93 27.785 3.779 -5.359 1.00 0.42 H new ATOM 1502 N GLN A 94 31.337 0.265 -5.204 1.00 0.40 N ATOM 1503 CA GLN A 94 32.552 -0.536 -5.275 1.00 0.44 C ATOM 1504 C GLN A 94 32.163 -2.003 -5.232 1.00 0.42 C ATOM 1505 O GLN A 94 31.010 -2.338 -5.503 1.00 0.48 O ATOM 1506 CB GLN A 94 33.506 -0.230 -4.112 1.00 0.49 C ATOM 1507 CG GLN A 94 33.657 1.250 -3.802 1.00 0.82 C ATOM 1508 CD GLN A 94 34.905 1.565 -3.001 1.00 1.24 C ATOM 1509 OE1 GLN A 94 35.408 0.729 -2.249 1.00 1.90 O ATOM 1510 NE2 GLN A 94 35.397 2.784 -3.138 1.00 1.95 N ATOM 0 H GLN A 94 30.776 0.107 -4.367 1.00 0.40 H new ATOM 0 HA GLN A 94 33.072 -0.295 -6.202 1.00 0.44 H new ATOM 0 HB2 GLN A 94 33.148 -0.742 -3.219 1.00 0.49 H new ATOM 0 HB3 GLN A 94 34.488 -0.643 -4.344 1.00 0.49 H new ATOM 0 HG2 GLN A 94 33.681 1.810 -4.737 1.00 0.82 H new ATOM 0 HG3 GLN A 94 32.782 1.590 -3.249 1.00 0.82 H new ATOM 0 HE21 GLN A 94 34.950 3.446 -3.772 1.00 1.95 H new ATOM 0 HE22 GLN A 94 36.224 3.063 -2.610 1.00 1.95 H new ATOM 1519 N THR A 95 33.106 -2.876 -4.913 1.00 0.44 N ATOM 1520 CA THR A 95 32.791 -4.278 -4.698 1.00 0.52 C ATOM 1521 C THR A 95 31.739 -4.422 -3.589 1.00 0.47 C ATOM 1522 O THR A 95 31.608 -3.547 -2.725 1.00 0.57 O ATOM 1523 CB THR A 95 34.062 -5.082 -4.335 1.00 0.72 C ATOM 1524 OG1 THR A 95 33.788 -6.490 -4.379 1.00 1.17 O ATOM 1525 CG2 THR A 95 34.579 -4.708 -2.951 1.00 0.80 C ATOM 0 H THR A 95 34.091 -2.639 -4.798 1.00 0.44 H new ATOM 0 HA THR A 95 32.386 -4.681 -5.626 1.00 0.52 H new ATOM 0 HB THR A 95 34.830 -4.836 -5.068 1.00 0.72 H new ATOM 0 HG1 THR A 95 34.600 -6.989 -4.149 1.00 1.17 H new ATOM 0 HG21 THR A 95 35.472 -5.291 -2.727 1.00 0.80 H new ATOM 0 HG22 THR A 95 34.823 -3.646 -2.929 1.00 0.80 H new ATOM 0 HG23 THR A 95 33.811 -4.920 -2.206 1.00 0.80 H new ATOM 1533 N GLY A 96 30.962 -5.501 -3.649 1.00 0.59 N ATOM 1534 CA GLY A 96 29.953 -5.764 -2.638 1.00 0.65 C ATOM 1535 C GLY A 96 30.537 -5.905 -1.248 1.00 0.72 C ATOM 1536 O GLY A 96 31.741 -6.116 -1.086 1.00 0.99 O ATOM 0 H GLY A 96 31.015 -6.203 -4.387 1.00 0.59 H new ATOM 0 HA2 GLY A 96 29.224 -4.954 -2.640 1.00 0.65 H new ATOM 0 HA3 GLY A 96 29.416 -6.677 -2.896 1.00 0.65 H new ATOM 1540 N GLY A 97 29.682 -5.817 -0.247 1.00 0.82 N ATOM 1541 CA GLY A 97 30.142 -5.867 1.121 1.00 1.11 C ATOM 1542 C GLY A 97 29.565 -7.049 1.860 1.00 1.32 C ATOM 1543 O GLY A 97 30.250 -7.599 2.747 1.00 1.74 O ATOM 1544 OXT GLY A 97 28.429 -7.448 1.544 1.00 1.79 O ATOM 0 H GLY A 97 28.673 -5.711 -0.357 1.00 0.82 H new ATOM 0 HA2 GLY A 97 31.230 -5.923 1.137 1.00 1.11 H new ATOM 0 HA3 GLY A 97 29.863 -4.946 1.633 1.00 1.11 H new TER 1548 GLY A 97 ATOM 1549 N LYS B 721 -16.317 -2.762 12.097 1.00 23.34 N ATOM 1550 CA LYS B 721 -15.706 -1.421 12.208 1.00 23.33 C ATOM 1551 C LYS B 721 -15.051 -1.046 10.893 1.00 22.27 C ATOM 1552 O LYS B 721 -15.508 -1.455 9.824 1.00 22.01 O ATOM 1553 CB LYS B 721 -14.668 -1.398 13.318 1.00 23.86 C ATOM 1554 CG LYS B 721 -15.251 -1.820 14.644 1.00 24.92 C ATOM 1555 CD LYS B 721 -14.190 -1.940 15.727 1.00 25.37 C ATOM 1556 CE LYS B 721 -13.459 -0.629 15.963 1.00 26.01 C ATOM 1557 NZ LYS B 721 -12.405 -0.775 17.003 1.00 26.46 N ATOM 0 HA LYS B 721 -16.489 -0.701 12.445 1.00 23.33 H new ATOM 0 HB2 LYS B 721 -13.843 -2.061 13.057 1.00 23.86 H new ATOM 0 HB3 LYS B 721 -14.254 -0.394 13.407 1.00 23.86 H new ATOM 0 HG2 LYS B 721 -16.004 -1.096 14.955 1.00 24.92 H new ATOM 0 HG3 LYS B 721 -15.758 -2.778 14.527 1.00 24.92 H new ATOM 0 HD2 LYS B 721 -14.657 -2.266 16.656 1.00 25.37 H new ATOM 0 HD3 LYS B 721 -13.471 -2.709 15.445 1.00 25.37 H new ATOM 0 HE2 LYS B 721 -13.008 -0.289 15.031 1.00 26.01 H new ATOM 0 HE3 LYS B 721 -14.172 0.137 16.270 1.00 26.01 H new ATOM 0 HZ1 LYS B 721 -11.925 0.137 17.141 1.00 26.46 H new ATOM 0 HZ2 LYS B 721 -12.840 -1.076 17.898 1.00 26.46 H new ATOM 0 HZ3 LYS B 721 -11.713 -1.488 16.698 1.00 26.46 H new ATOM 1571 N THR B 722 -13.980 -0.281 10.971 1.00 21.74 N ATOM 1572 CA THR B 722 -13.229 0.095 9.796 1.00 20.74 C ATOM 1573 C THR B 722 -12.228 -1.003 9.450 1.00 19.93 C ATOM 1574 O THR B 722 -11.438 -1.416 10.299 1.00 20.05 O ATOM 1575 CB THR B 722 -12.502 1.422 10.063 1.00 20.58 C ATOM 1576 OG1 THR B 722 -11.513 1.244 11.088 1.00 20.45 O ATOM 1577 CG2 THR B 722 -13.502 2.464 10.530 1.00 21.21 C ATOM 0 H THR B 722 -13.610 0.094 11.845 1.00 21.74 H new ATOM 0 HA THR B 722 -13.906 0.224 8.951 1.00 20.74 H new ATOM 0 HB THR B 722 -12.021 1.749 9.141 1.00 20.58 H new ATOM 0 HG1 THR B 722 -11.304 0.291 11.179 1.00 20.45 H new ATOM 0 HG21 THR B 722 -12.985 3.405 10.719 1.00 21.21 H new ATOM 0 HG22 THR B 722 -14.258 2.614 9.759 1.00 21.21 H new ATOM 0 HG23 THR B 722 -13.982 2.123 11.447 1.00 21.21 H new ATOM 1585 N SER B 723 -12.272 -1.493 8.224 1.00 19.19 N ATOM 1586 CA SER B 723 -11.383 -2.568 7.829 1.00 18.40 C ATOM 1587 C SER B 723 -10.581 -2.188 6.591 1.00 17.37 C ATOM 1588 O SER B 723 -11.105 -1.587 5.652 1.00 17.20 O ATOM 1589 CB SER B 723 -12.192 -3.842 7.575 1.00 18.37 C ATOM 1590 OG SER B 723 -11.347 -4.965 7.390 1.00 18.76 O ATOM 0 H SER B 723 -12.906 -1.168 7.494 1.00 19.19 H new ATOM 0 HA SER B 723 -10.677 -2.750 8.639 1.00 18.40 H new ATOM 0 HB2 SER B 723 -12.861 -4.023 8.416 1.00 18.37 H new ATOM 0 HB3 SER B 723 -12.818 -3.707 6.693 1.00 18.37 H new ATOM 0 HG SER B 723 -11.893 -5.763 7.232 1.00 18.76 H new ATOM 1596 N VAL B 724 -9.309 -2.547 6.595 1.00 16.76 N ATOM 1597 CA VAL B 724 -8.448 -2.346 5.448 1.00 15.78 C ATOM 1598 C VAL B 724 -7.756 -3.661 5.105 1.00 14.88 C ATOM 1599 O VAL B 724 -7.329 -4.390 6.000 1.00 15.05 O ATOM 1600 CB VAL B 724 -7.400 -1.229 5.712 1.00 15.85 C ATOM 1601 CG1 VAL B 724 -6.491 -1.585 6.880 1.00 15.86 C ATOM 1602 CG2 VAL B 724 -6.585 -0.939 4.458 1.00 15.16 C ATOM 0 H VAL B 724 -8.847 -2.985 7.392 1.00 16.76 H new ATOM 0 HA VAL B 724 -9.058 -2.023 4.605 1.00 15.78 H new ATOM 0 HB VAL B 724 -7.944 -0.323 5.980 1.00 15.85 H new ATOM 0 HG11 VAL B 724 -5.770 -0.783 7.038 1.00 15.86 H new ATOM 0 HG12 VAL B 724 -7.091 -1.716 7.781 1.00 15.86 H new ATOM 0 HG13 VAL B 724 -5.961 -2.511 6.659 1.00 15.86 H new ATOM 0 HG21 VAL B 724 -5.859 -0.154 4.669 1.00 15.16 H new ATOM 0 HG22 VAL B 724 -6.062 -1.843 4.147 1.00 15.16 H new ATOM 0 HG23 VAL B 724 -7.251 -0.612 3.659 1.00 15.16 H new ATOM 1612 N ALA B 725 -7.663 -3.983 3.825 1.00 14.05 N ATOM 1613 CA ALA B 725 -7.028 -5.222 3.418 1.00 13.23 C ATOM 1614 C ALA B 725 -5.526 -5.027 3.272 1.00 12.42 C ATOM 1615 O ALA B 725 -5.069 -4.034 2.705 1.00 12.30 O ATOM 1616 CB ALA B 725 -7.632 -5.722 2.114 1.00 12.89 C ATOM 0 H ALA B 725 -8.015 -3.410 3.059 1.00 14.05 H new ATOM 0 HA ALA B 725 -7.203 -5.972 4.189 1.00 13.23 H new ATOM 0 HB1 ALA B 725 -7.146 -6.652 1.821 1.00 12.89 H new ATOM 0 HB2 ALA B 725 -8.699 -5.898 2.251 1.00 12.89 H new ATOM 0 HB3 ALA B 725 -7.485 -4.974 1.335 1.00 12.89 H new ATOM 1622 N THR B 726 -4.765 -5.966 3.801 1.00 11.98 N ATOM 1623 CA THR B 726 -3.323 -5.917 3.706 1.00 11.24 C ATOM 1624 C THR B 726 -2.838 -6.808 2.569 1.00 10.08 C ATOM 1625 O THR B 726 -3.516 -7.761 2.185 1.00 9.86 O ATOM 1626 CB THR B 726 -2.668 -6.360 5.026 1.00 11.44 C ATOM 1627 OG1 THR B 726 -3.243 -5.631 6.123 1.00 12.47 O ATOM 1628 CG2 THR B 726 -1.166 -6.122 4.980 1.00 10.81 C ATOM 0 H THR B 726 -5.127 -6.776 4.304 1.00 11.98 H new ATOM 0 HA THR B 726 -3.035 -4.885 3.504 1.00 11.24 H new ATOM 0 HB THR B 726 -2.849 -7.426 5.166 1.00 11.44 H new ATOM 0 HG1 THR B 726 -2.824 -5.917 6.961 1.00 12.47 H new ATOM 0 HG21 THR B 726 -0.718 -6.441 5.921 1.00 10.81 H new ATOM 0 HG22 THR B 726 -0.732 -6.694 4.160 1.00 10.81 H new ATOM 0 HG23 THR B 726 -0.970 -5.061 4.826 1.00 10.81 H new ATOM 1636 N GLN B 727 -1.677 -6.492 2.026 1.00 9.47 N ATOM 1637 CA GLN B 727 -1.124 -7.256 0.925 1.00 8.43 C ATOM 1638 C GLN B 727 0.196 -7.890 1.284 1.00 7.65 C ATOM 1639 O GLN B 727 0.731 -7.702 2.377 1.00 7.99 O ATOM 1640 CB GLN B 727 -0.935 -6.359 -0.287 1.00 8.39 C ATOM 1641 CG GLN B 727 -2.243 -5.954 -0.906 1.00 8.72 C ATOM 1642 CD GLN B 727 -2.087 -4.961 -2.046 1.00 8.93 C ATOM 1643 OE1 GLN B 727 -0.971 -5.039 -2.753 1.00 8.98 O flip ATOM 1644 NE2 GLN B 727 -2.965 -4.132 -2.291 1.00 9.30 N flip ATOM 0 H GLN B 727 -1.098 -5.710 2.331 1.00 9.47 H new ATOM 0 HA GLN B 727 -1.831 -8.053 0.696 1.00 8.43 H new ATOM 0 HB2 GLN B 727 -0.383 -5.466 0.007 1.00 8.39 H new ATOM 0 HB3 GLN B 727 -0.329 -6.878 -1.030 1.00 8.39 H new ATOM 0 HG2 GLN B 727 -2.753 -6.844 -1.276 1.00 8.72 H new ATOM 0 HG3 GLN B 727 -2.881 -5.517 -0.138 1.00 8.72 H new ATOM 0 HE21 GLN B 727 -3.812 -4.103 -1.723 1.00 9.30 H new ATOM 0 HE22 GLN B 727 -2.845 -3.475 -3.062 1.00 9.30 H new ATOM 1653 N CYS B 728 0.686 -8.664 0.344 1.00 6.74 N ATOM 1654 CA CYS B 728 2.013 -9.208 0.404 1.00 6.01 C ATOM 1655 C CYS B 728 2.989 -8.162 -0.115 1.00 5.23 C ATOM 1656 O CYS B 728 2.764 -7.578 -1.177 1.00 5.13 O ATOM 1657 CB CYS B 728 2.047 -10.447 -0.475 1.00 5.72 C ATOM 1658 SG CYS B 728 1.016 -11.804 0.127 1.00 5.93 S ATOM 0 H CYS B 728 0.165 -8.934 -0.491 1.00 6.74 H new ATOM 0 HA CYS B 728 2.290 -9.474 1.424 1.00 6.01 H new ATOM 0 HB2 CYS B 728 1.723 -10.176 -1.480 1.00 5.72 H new ATOM 0 HB3 CYS B 728 3.077 -10.795 -0.555 1.00 5.72 H new ATOM 0 HG CYS B 728 1.108 -12.813 -0.687 1.00 5.93 H new ATOM 1664 N ASP B 729 4.064 -7.932 0.616 1.00 4.88 N ATOM 1665 CA ASP B 729 4.981 -6.849 0.291 1.00 4.30 C ATOM 1666 C ASP B 729 6.427 -7.296 0.434 1.00 3.24 C ATOM 1667 O ASP B 729 6.710 -8.318 1.062 1.00 3.27 O ATOM 1668 CB ASP B 729 4.728 -5.638 1.200 1.00 4.94 C ATOM 1669 CG ASP B 729 3.515 -4.828 0.789 1.00 5.81 C ATOM 1670 OD1 ASP B 729 3.602 -4.073 -0.203 1.00 6.40 O ATOM 1671 OD2 ASP B 729 2.457 -4.958 1.445 1.00 6.15 O ATOM 0 H ASP B 729 4.325 -8.478 1.437 1.00 4.88 H new ATOM 0 HA ASP B 729 4.803 -6.565 -0.746 1.00 4.30 H new ATOM 0 HB2 ASP B 729 4.597 -5.983 2.226 1.00 4.94 H new ATOM 0 HB3 ASP B 729 5.607 -4.994 1.190 1.00 4.94 H new ATOM 1676 N PRO B 730 7.358 -6.543 -0.168 1.00 2.69 N ATOM 1677 CA PRO B 730 8.787 -6.791 -0.020 1.00 1.98 C ATOM 1678 C PRO B 730 9.327 -6.214 1.288 1.00 1.62 C ATOM 1679 O PRO B 730 8.575 -5.985 2.235 1.00 1.76 O ATOM 1680 CB PRO B 730 9.386 -6.067 -1.222 1.00 2.46 C ATOM 1681 CG PRO B 730 8.459 -4.930 -1.479 1.00 3.15 C ATOM 1682 CD PRO B 730 7.091 -5.393 -1.053 1.00 3.33 C ATOM 0 HA PRO B 730 9.030 -7.853 0.015 1.00 1.98 H new ATOM 0 HB2 PRO B 730 10.395 -5.715 -1.009 1.00 2.46 H new ATOM 0 HB3 PRO B 730 9.454 -6.726 -2.088 1.00 2.46 H new ATOM 0 HG2 PRO B 730 8.763 -4.047 -0.917 1.00 3.15 H new ATOM 0 HG3 PRO B 730 8.465 -4.655 -2.534 1.00 3.15 H new ATOM 0 HD2 PRO B 730 6.549 -4.605 -0.530 1.00 3.33 H new ATOM 0 HD3 PRO B 730 6.484 -5.683 -1.910 1.00 3.33 H new ATOM 1690 N GLU B 731 10.624 -5.976 1.332 1.00 1.33 N ATOM 1691 CA GLU B 731 11.246 -5.400 2.512 1.00 1.11 C ATOM 1692 C GLU B 731 10.925 -3.911 2.606 1.00 0.98 C ATOM 1693 O GLU B 731 10.884 -3.210 1.594 1.00 1.17 O ATOM 1694 CB GLU B 731 12.762 -5.621 2.492 1.00 1.22 C ATOM 1695 CG GLU B 731 13.413 -5.228 1.183 1.00 1.01 C ATOM 1696 CD GLU B 731 13.387 -6.341 0.151 1.00 1.84 C ATOM 1697 OE1 GLU B 731 14.240 -7.246 0.223 1.00 2.37 O ATOM 1698 OE2 GLU B 731 12.504 -6.318 -0.730 1.00 2.59 O ATOM 0 H GLU B 731 11.268 -6.172 0.566 1.00 1.33 H new ATOM 0 HA GLU B 731 10.842 -5.901 3.392 1.00 1.11 H new ATOM 0 HB2 GLU B 731 13.215 -5.048 3.301 1.00 1.22 H new ATOM 0 HB3 GLU B 731 12.970 -6.672 2.691 1.00 1.22 H new ATOM 0 HG2 GLU B 731 12.904 -4.353 0.779 1.00 1.01 H new ATOM 0 HG3 GLU B 731 14.447 -4.937 1.370 1.00 1.01 H new ATOM 1705 N GLU B 732 10.693 -3.431 3.818 1.00 0.91 N ATOM 1706 CA GLU B 732 10.335 -2.034 4.025 1.00 0.89 C ATOM 1707 C GLU B 732 11.541 -1.202 4.423 1.00 0.66 C ATOM 1708 O GLU B 732 12.245 -1.519 5.381 1.00 0.71 O ATOM 1709 CB GLU B 732 9.264 -1.877 5.105 1.00 1.15 C ATOM 1710 CG GLU B 732 9.056 -0.422 5.499 1.00 1.40 C ATOM 1711 CD GLU B 732 8.123 -0.249 6.681 1.00 2.02 C ATOM 1712 OE1 GLU B 732 8.561 -0.476 7.830 1.00 2.40 O ATOM 1713 OE2 GLU B 732 6.955 0.131 6.474 1.00 2.41 O ATOM 0 H GLU B 732 10.746 -3.986 4.672 1.00 0.91 H new ATOM 0 HA GLU B 732 9.943 -1.679 3.072 1.00 0.89 H new ATOM 0 HB2 GLU B 732 8.323 -2.292 4.745 1.00 1.15 H new ATOM 0 HB3 GLU B 732 9.550 -2.453 5.985 1.00 1.15 H new ATOM 0 HG2 GLU B 732 10.021 0.024 5.739 1.00 1.40 H new ATOM 0 HG3 GLU B 732 8.655 0.125 4.645 1.00 1.40 H new ATOM 1720 N ILE B 733 11.772 -0.134 3.687 1.00 0.53 N ATOM 1721 CA ILE B 733 12.801 0.818 4.041 1.00 0.40 C ATOM 1722 C ILE B 733 12.136 2.131 4.424 1.00 0.35 C ATOM 1723 O ILE B 733 11.296 2.646 3.682 1.00 0.38 O ATOM 1724 CB ILE B 733 13.810 1.069 2.892 1.00 0.38 C ATOM 1725 CG1 ILE B 733 14.623 -0.193 2.547 1.00 0.48 C ATOM 1726 CG2 ILE B 733 14.760 2.192 3.282 1.00 0.45 C ATOM 1727 CD1 ILE B 733 13.816 -1.355 2.014 1.00 1.01 C ATOM 0 H ILE B 733 11.258 0.096 2.837 1.00 0.53 H new ATOM 0 HA ILE B 733 13.366 0.401 4.875 1.00 0.40 H new ATOM 0 HB ILE B 733 13.237 1.347 2.007 1.00 0.38 H new ATOM 0 HG12 ILE B 733 15.379 0.072 1.808 1.00 0.48 H new ATOM 0 HG13 ILE B 733 15.153 -0.520 3.442 1.00 0.48 H new ATOM 0 HG21 ILE B 733 15.469 2.367 2.472 1.00 0.45 H new ATOM 0 HG22 ILE B 733 14.190 3.102 3.468 1.00 0.45 H new ATOM 0 HG23 ILE B 733 15.303 1.912 4.185 1.00 0.45 H new ATOM 0 HD11 ILE B 733 14.480 -2.193 1.802 1.00 1.01 H new ATOM 0 HD12 ILE B 733 13.078 -1.656 2.757 1.00 1.01 H new ATOM 0 HD13 ILE B 733 13.307 -1.055 1.098 1.00 1.01 H new ATOM 1739 N ILE B 734 12.499 2.673 5.574 1.00 0.31 N ATOM 1740 CA ILE B 734 11.891 3.897 6.065 1.00 0.30 C ATOM 1741 C ILE B 734 12.635 5.119 5.540 1.00 0.29 C ATOM 1742 O ILE B 734 13.695 4.993 4.932 1.00 0.37 O ATOM 1743 CB ILE B 734 11.868 3.921 7.613 1.00 0.29 C ATOM 1744 CG1 ILE B 734 13.110 3.234 8.206 1.00 0.28 C ATOM 1745 CG2 ILE B 734 10.601 3.257 8.126 1.00 0.34 C ATOM 1746 CD1 ILE B 734 14.423 3.932 7.912 1.00 0.29 C ATOM 0 H ILE B 734 13.215 2.283 6.187 1.00 0.31 H new ATOM 0 HA ILE B 734 10.864 3.926 5.700 1.00 0.30 H new ATOM 0 HB ILE B 734 11.881 4.963 7.934 1.00 0.29 H new ATOM 0 HG12 ILE B 734 12.987 3.162 9.287 1.00 0.28 H new ATOM 0 HG13 ILE B 734 13.162 2.215 7.822 1.00 0.28 H new ATOM 0 HG21 ILE B 734 10.594 3.279 9.216 1.00 0.34 H new ATOM 0 HG22 ILE B 734 9.731 3.792 7.747 1.00 0.34 H new ATOM 0 HG23 ILE B 734 10.568 2.223 7.784 1.00 0.34 H new ATOM 0 HD11 ILE B 734 15.241 3.376 8.370 1.00 0.29 H new ATOM 0 HD12 ILE B 734 14.576 3.981 6.834 1.00 0.29 H new ATOM 0 HD13 ILE B 734 14.398 4.942 8.321 1.00 0.29 H new ATOM 1758 N VAL B 735 12.063 6.293 5.755 1.00 0.29 N ATOM 1759 CA VAL B 735 12.654 7.519 5.254 1.00 0.28 C ATOM 1760 C VAL B 735 13.204 8.365 6.404 1.00 0.29 C ATOM 1761 O VAL B 735 12.885 8.137 7.574 1.00 0.34 O ATOM 1762 CB VAL B 735 11.630 8.337 4.418 1.00 0.31 C ATOM 1763 CG1 VAL B 735 10.544 8.941 5.294 1.00 0.39 C ATOM 1764 CG2 VAL B 735 12.321 9.420 3.604 1.00 0.60 C ATOM 0 H VAL B 735 11.193 6.421 6.272 1.00 0.29 H new ATOM 0 HA VAL B 735 13.481 7.245 4.599 1.00 0.28 H new ATOM 0 HB VAL B 735 11.154 7.641 3.727 1.00 0.31 H new ATOM 0 HG11 VAL B 735 9.848 9.505 4.673 1.00 0.39 H new ATOM 0 HG12 VAL B 735 10.007 8.144 5.809 1.00 0.39 H new ATOM 0 HG13 VAL B 735 10.997 9.607 6.028 1.00 0.39 H new ATOM 0 HG21 VAL B 735 11.578 9.974 3.031 1.00 0.60 H new ATOM 0 HG22 VAL B 735 12.844 10.102 4.275 1.00 0.60 H new ATOM 0 HG23 VAL B 735 13.037 8.961 2.922 1.00 0.60 H new ATOM 1774 N LEU B 736 14.029 9.331 6.043 1.00 0.28 N ATOM 1775 CA LEU B 736 14.626 10.268 6.982 1.00 0.32 C ATOM 1776 C LEU B 736 13.638 11.379 7.339 1.00 0.33 C ATOM 1777 O LEU B 736 12.564 11.479 6.748 1.00 0.35 O ATOM 1778 CB LEU B 736 15.877 10.881 6.356 1.00 0.43 C ATOM 1779 CG LEU B 736 16.049 10.580 4.866 1.00 0.32 C ATOM 1780 CD1 LEU B 736 16.695 11.747 4.152 1.00 0.45 C ATOM 1781 CD2 LEU B 736 16.876 9.324 4.670 1.00 0.43 C ATOM 0 H LEU B 736 14.308 9.490 5.075 1.00 0.28 H new ATOM 0 HA LEU B 736 14.889 9.731 7.893 1.00 0.32 H new ATOM 0 HB2 LEU B 736 15.846 11.962 6.495 1.00 0.43 H new ATOM 0 HB3 LEU B 736 16.753 10.516 6.892 1.00 0.43 H new ATOM 0 HG LEU B 736 15.060 10.419 4.437 1.00 0.32 H new ATOM 0 HD11 LEU B 736 16.807 11.509 3.094 1.00 0.45 H new ATOM 0 HD12 LEU B 736 16.068 12.632 4.261 1.00 0.45 H new ATOM 0 HD13 LEU B 736 17.676 11.941 4.586 1.00 0.45 H new ATOM 0 HD21 LEU B 736 16.988 9.125 3.604 1.00 0.43 H new ATOM 0 HD22 LEU B 736 17.860 9.462 5.119 1.00 0.43 H new ATOM 0 HD23 LEU B 736 16.375 8.481 5.146 1.00 0.43 H new ATOM 1793 N SER B 737 14.003 12.197 8.319 1.00 0.40 N ATOM 1794 CA SER B 737 13.101 13.212 8.850 1.00 0.49 C ATOM 1795 C SER B 737 13.166 14.506 8.035 1.00 0.55 C ATOM 1796 O SER B 737 13.940 14.618 7.081 1.00 0.57 O ATOM 1797 CB SER B 737 13.449 13.488 10.313 1.00 0.56 C ATOM 1798 OG SER B 737 13.487 12.282 11.066 1.00 1.51 O ATOM 0 H SER B 737 14.921 12.177 8.763 1.00 0.40 H new ATOM 0 HA SER B 737 12.081 12.834 8.781 1.00 0.49 H new ATOM 0 HB2 SER B 737 14.416 13.988 10.372 1.00 0.56 H new ATOM 0 HB3 SER B 737 12.712 14.166 10.744 1.00 0.56 H new ATOM 0 HG SER B 737 13.713 12.485 11.998 1.00 1.51 H new ATOM 1804 N ASP B 738 12.360 15.486 8.441 1.00 0.80 N ATOM 1805 CA ASP B 738 12.177 16.716 7.676 1.00 0.92 C ATOM 1806 C ASP B 738 13.395 17.625 7.773 1.00 0.86 C ATOM 1807 O ASP B 738 13.899 17.890 8.865 1.00 1.00 O ATOM 1808 CB ASP B 738 10.950 17.469 8.187 1.00 1.31 C ATOM 1809 CG ASP B 738 10.541 18.610 7.280 1.00 1.55 C ATOM 1810 OD1 ASP B 738 9.964 18.349 6.202 1.00 1.76 O ATOM 1811 OD2 ASP B 738 10.811 19.777 7.635 1.00 1.90 O ATOM 0 H ASP B 738 11.819 15.449 9.305 1.00 0.80 H new ATOM 0 HA ASP B 738 12.039 16.436 6.632 1.00 0.92 H new ATOM 0 HB2 ASP B 738 10.117 16.773 8.285 1.00 1.31 H new ATOM 0 HB3 ASP B 738 11.158 17.860 9.183 1.00 1.31 H new ATOM 1816 N SER B 739 13.867 18.084 6.624 1.00 0.81 N ATOM 1817 CA SER B 739 14.979 19.019 6.562 1.00 0.85 C ATOM 1818 C SER B 739 14.493 20.391 6.093 1.00 0.94 C ATOM 1819 O SER B 739 13.297 20.588 5.905 1.00 1.35 O ATOM 1820 CB SER B 739 16.068 18.467 5.627 1.00 0.96 C ATOM 1821 OG SER B 739 17.228 19.287 5.616 1.00 1.50 O ATOM 0 H SER B 739 13.492 17.820 5.713 1.00 0.81 H new ATOM 0 HA SER B 739 15.406 19.139 7.558 1.00 0.85 H new ATOM 0 HB2 SER B 739 16.340 17.460 5.942 1.00 0.96 H new ATOM 0 HB3 SER B 739 15.671 18.388 4.615 1.00 0.96 H new ATOM 0 HG SER B 739 17.896 18.901 5.012 1.00 1.50 H new ATOM 1827 N ASP B 740 15.422 21.335 5.952 1.00 0.89 N ATOM 1828 CA ASP B 740 15.158 22.633 5.338 1.00 0.97 C ATOM 1829 C ASP B 740 14.267 23.492 6.234 1.00 1.26 C ATOM 1830 O ASP B 740 14.820 24.267 7.042 1.00 1.80 O ATOM 1831 CB ASP B 740 14.540 22.436 3.956 1.00 1.09 C ATOM 1832 CG ASP B 740 14.382 23.728 3.173 1.00 1.56 C ATOM 1833 OD1 ASP B 740 15.407 24.331 2.786 1.00 1.95 O ATOM 1834 OD2 ASP B 740 13.223 24.159 2.960 1.00 1.95 O ATOM 1835 OXT ASP B 740 13.028 23.370 6.160 1.00 1.87 O ATOM 0 H ASP B 740 16.386 21.219 6.263 1.00 0.89 H new ATOM 0 HA ASP B 740 16.101 23.166 5.219 1.00 0.97 H new ATOM 0 HB2 ASP B 740 15.161 21.747 3.384 1.00 1.09 H new ATOM 0 HB3 ASP B 740 13.563 21.966 4.067 1.00 1.09 H new TER 1840 ASP B 740