USER MOD reduce.3.24.130724 H: found=0, std=0, add=1514, rem=0, adj=75 USER MOD reduce.3.24.130724 removed 1502 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 91 ASN : amide:sc= 0.766 K(o=0.37,f=-11!) USER MOD Set 1.2: B 92 LYS NZ :NH3+ -172:sc= -0.397! (180deg=-1.97!) USER MOD Set 2.1: B 80 CYS SG : rot 180:sc= 0.309 USER MOD Set 2.2: B 83 TYR OH : rot 70:sc= -0.119 USER MOD Set 2.3: B 84 ASN : amide:sc= 0.316 K(o=0.51,f=-0.33) USER MOD Set 3.1: B 47 MET CE :methyl -125:sc= -1.25 (180deg=-3.69!) USER MOD Set 3.2: B 48 LYS NZ :NH3+ -120:sc= 2.69 (180deg=0.51) USER MOD Set 4.1: B 18 LYS NZ :NH3+ 163:sc= 1.44 (180deg=0.709) USER MOD Set 4.2: B 19 TYR OH : rot 30:sc= 0.0514 USER MOD Set 5.1: A 77 THR OG1 : rot 86:sc= 1.6 USER MOD Set 5.2: B 73 SER OG : rot -180:sc= 0.393 USER MOD Set 6.1: A 73 SER OG : rot 169:sc= 0.585 USER MOD Set 6.2: B 77 THR OG1 : rot 89:sc= 1.81 USER MOD Set 7.1: A 58 SER OG : rot 112:sc= 2.3 USER MOD Set 7.2: A 61 LYS NZ :NH3+ -139:sc= 1.22 (180deg=0) USER MOD Set 8.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 8.2: A 51 SER OG : rot 180:sc= 0 USER MOD Set 9.1: A 39 LYS NZ :NH3+ -166:sc= 1.04 (180deg=0.437) USER MOD Set 9.2: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 2.69 (180deg=-0.515) USER MOD Single : A 3 THR OG1 : rot -158:sc= 1.79 USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00787) USER MOD Single : A 10 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 11 THR OG1 : rot 64:sc= 0.24 USER MOD Single : A 12 MET CE :methyl 161:sc= 0 (180deg=-0.0419) USER MOD Single : A 14 THR OG1 : rot 74:sc= 1.31 USER MOD Single : A 15 THR OG1 : rot 73:sc= 1.28 USER MOD Single : A 17 HIS : no HE2:sc= -0.0371 X(o=-0.037,f=-0.52) USER MOD Single : A 18 LYS NZ :NH3+ -104:sc= 0.297 (180deg=-0.705!) USER MOD Single : A 19 TYR OH : rot -9:sc= 1.28 USER MOD Single : A 20 SER OG : rot 136:sc= 1.15 USER MOD Single : A 25 SER OG : rot 172:sc= 1.29 USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= 0.722 (180deg=0.429) USER MOD Single : A 28 THR OG1 : rot 144:sc= 0.96 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0.415 (180deg=0.415) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 1.6 (180deg=1.45) USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.07) USER MOD Single : A 47 MET CE :methyl 178:sc= 0 (180deg=-0.00935) USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= 1.56 (180deg=-1.52) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= 1.32 (180deg=1.08) USER MOD Single : A 62 ASN : amide:sc= 0.343 X(o=0.34,f=-0.0044) USER MOD Single : A 63 SER OG : rot 69:sc= 1.29 USER MOD Single : A 65 GLN : amide:sc= -0.0867 X(o=-0.087,f=-0.43) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= 1.78 (180deg=0.79) USER MOD Single : A 72 TYR OH : rot 166:sc= 0.315 USER MOD Single : A 78 MET CE :methyl 162:sc= -0.0425 (180deg=-0.678) USER MOD Single : A 80 CYS SG : rot 170:sc= -0.206 USER MOD Single : A 81 MET CE :methyl 166:sc= -0.0633 (180deg=-0.516) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 91 ASN : amide:sc= 0.604 K(o=0.6,f=-0.029) USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= 0.793 (180deg=0.297) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 151:sc= 0.816 (180deg=0.232!) USER MOD Single : B 3 THR OG1 : rot 107:sc= 1.02 USER MOD Single : B 7 LYS NZ :NH3+ 169:sc= 1.8 (180deg=1.58) USER MOD Single : B 10 THR OG1 : rot 159:sc= 1.23 USER MOD Single : B 11 THR OG1 : rot 81:sc= 1.19 USER MOD Single : B 12 MET CE :methyl -120:sc= -0.479 (180deg=-3.21!) USER MOD Single : B 14 THR OG1 : rot 85:sc= 1.25 USER MOD Single : B 15 THR OG1 : rot 141:sc= 1.3 USER MOD Single : B 17 HIS : no HE2:sc= -0.975 K(o=-0.98,f=-2.7) USER MOD Single : B 20 SER OG : rot 68:sc= 1.22 USER MOD Single : B 25 SER OG : rot -169:sc= 1.25 USER MOD Single : B 26 LYS NZ :NH3+ 172:sc= 0.86 (180deg=0.464) USER MOD Single : B 28 THR OG1 : rot -151:sc= 1.22 USER MOD Single : B 30 SER OG : rot -65:sc= 0.353 USER MOD Single : B 32 LYS NZ :NH3+ -168:sc= 2.45 (180deg=1.64) USER MOD Single : B 35 LYS NZ :NH3+ -114:sc= 1.1 (180deg=0.00614) USER MOD Single : B 39 LYS NZ :NH3+ 176:sc= 1.12 (180deg=0.985) USER MOD Single : B 40 LYS NZ :NH3+ -167:sc= 0.968 (180deg=0.845) USER MOD Single : B 43 CYS SG : rot -91:sc= -0.562 USER MOD Single : B 50 SER OG : rot 180:sc= 0.0222 USER MOD Single : B 51 SER OG : rot -36:sc= 0.559 USER MOD Single : B 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ -174:sc= -0.367 (180deg=-0.564) USER MOD Single : B 58 SER OG : rot 78:sc= 0.0396 USER MOD Single : B 61 LYS NZ :NH3+ -148:sc= 0.979 (180deg=-0.214) USER MOD Single : B 62 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : B 63 SER OG : rot 102:sc= 1.21 USER MOD Single : B 65 GLN : amide:sc= -0.458 K(o=-0.46,f=-6.8!) USER MOD Single : B 70 LYS NZ :NH3+ 155:sc= 1.28 (180deg=1.18) USER MOD Single : B 72 TYR OH : rot 3:sc= 1.22 USER MOD Single : B 78 MET CE :methyl 161:sc= -0.0197 (180deg=-0.574) USER MOD Single : B 81 MET CE :methyl -128:sc=-0.00129 (180deg=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.336 4.912 20.413 1.00 4.81 N ATOM 2 CA MET A 1 12.613 5.270 21.658 1.00 4.32 C ATOM 3 C MET A 1 11.142 5.445 21.342 1.00 3.32 C ATOM 4 O MET A 1 10.755 6.433 20.727 1.00 4.50 O ATOM 5 CB MET A 1 13.138 6.550 22.321 1.00 5.75 C ATOM 6 CG MET A 1 12.567 6.759 23.728 1.00 6.86 C ATOM 7 SD MET A 1 13.091 5.520 24.943 1.00 7.38 S ATOM 8 CE MET A 1 11.693 5.590 26.093 1.00 8.45 C ATOM 0 H1 MET A 1 14.233 5.436 20.370 1.00 4.81 H new ATOM 0 H2 MET A 1 13.531 3.890 20.406 1.00 4.81 H new ATOM 0 H3 MET A 1 12.751 5.158 19.589 1.00 4.81 H new ATOM 0 HA MET A 1 12.776 4.456 22.365 1.00 4.32 H new ATOM 0 HB2 MET A 1 14.226 6.507 22.377 1.00 5.75 H new ATOM 0 HB3 MET A 1 12.885 7.408 21.698 1.00 5.75 H new ATOM 0 HG2 MET A 1 12.863 7.746 24.084 1.00 6.86 H new ATOM 0 HG3 MET A 1 11.479 6.754 23.669 1.00 6.86 H new ATOM 0 HE1 MET A 1 11.856 4.884 26.907 1.00 8.45 H new ATOM 0 HE2 MET A 1 11.606 6.598 26.499 1.00 8.45 H new ATOM 0 HE3 MET A 1 10.775 5.331 25.566 1.00 8.45 H new ATOM 17 N GLU A 2 10.301 4.510 21.767 1.00 1.98 N ATOM 18 CA GLU A 2 9.286 3.967 20.862 1.00 1.34 C ATOM 19 C GLU A 2 8.012 4.829 20.800 1.00 1.13 C ATOM 20 O GLU A 2 6.983 4.546 21.422 1.00 2.03 O ATOM 21 CB GLU A 2 9.064 2.483 21.195 1.00 2.49 C ATOM 22 CG GLU A 2 10.322 1.635 20.880 1.00 3.68 C ATOM 23 CD GLU A 2 11.558 1.995 21.720 1.00 4.18 C ATOM 24 OE1 GLU A 2 11.382 2.220 22.941 1.00 4.79 O ATOM 25 OE2 GLU A 2 12.622 2.289 21.132 1.00 4.98 O ATOM 0 H GLU A 2 10.296 4.117 22.708 1.00 1.98 H new ATOM 0 HA GLU A 2 9.647 4.012 19.834 1.00 1.34 H new ATOM 0 HB2 GLU A 2 8.810 2.380 22.250 1.00 2.49 H new ATOM 0 HB3 GLU A 2 8.216 2.104 20.624 1.00 2.49 H new ATOM 0 HG2 GLU A 2 10.085 0.583 21.038 1.00 3.68 H new ATOM 0 HG3 GLU A 2 10.569 1.751 19.825 1.00 3.68 H new ATOM 32 N THR A 3 8.129 5.917 20.029 1.00 0.79 N ATOM 33 CA THR A 3 7.097 6.934 19.758 1.00 0.81 C ATOM 34 C THR A 3 5.820 6.316 19.157 1.00 0.94 C ATOM 35 O THR A 3 5.881 5.243 18.546 1.00 0.92 O ATOM 36 CB THR A 3 7.627 8.098 18.878 1.00 1.11 C ATOM 37 OG1 THR A 3 7.140 7.974 17.561 1.00 1.73 O ATOM 38 CG2 THR A 3 9.142 8.297 18.825 1.00 1.30 C ATOM 0 H THR A 3 9.002 6.127 19.545 1.00 0.79 H new ATOM 0 HA THR A 3 6.831 7.361 20.725 1.00 0.81 H new ATOM 0 HB THR A 3 7.246 8.986 19.383 1.00 1.11 H new ATOM 0 HG1 THR A 3 7.724 8.467 16.948 1.00 1.73 H new ATOM 0 HG21 THR A 3 9.376 9.141 18.176 1.00 1.30 H new ATOM 0 HG22 THR A 3 9.518 8.495 19.829 1.00 1.30 H new ATOM 0 HG23 THR A 3 9.614 7.396 18.432 1.00 1.30 H new ATOM 46 N PRO A 4 4.659 6.998 19.236 1.00 1.24 N ATOM 47 CA PRO A 4 3.419 6.507 18.639 1.00 1.41 C ATOM 48 C PRO A 4 3.534 6.342 17.116 1.00 1.38 C ATOM 49 O PRO A 4 2.974 5.383 16.584 1.00 1.41 O ATOM 50 CB PRO A 4 2.327 7.499 19.050 1.00 1.69 C ATOM 51 CG PRO A 4 3.089 8.785 19.356 1.00 1.70 C ATOM 52 CD PRO A 4 4.438 8.286 19.875 1.00 1.44 C ATOM 0 HA PRO A 4 3.179 5.506 18.998 1.00 1.41 H new ATOM 0 HB2 PRO A 4 1.601 7.646 18.251 1.00 1.69 H new ATOM 0 HB3 PRO A 4 1.775 7.146 19.921 1.00 1.69 H new ATOM 0 HG2 PRO A 4 3.205 9.404 18.466 1.00 1.70 H new ATOM 0 HG3 PRO A 4 2.572 9.391 20.100 1.00 1.70 H new ATOM 0 HD2 PRO A 4 5.235 8.987 19.627 1.00 1.44 H new ATOM 0 HD3 PRO A 4 4.427 8.187 20.960 1.00 1.44 H new ATOM 60 N LEU A 5 4.299 7.198 16.424 1.00 1.36 N ATOM 61 CA LEU A 5 4.614 7.028 15.002 1.00 1.32 C ATOM 62 C LEU A 5 5.568 5.872 14.770 1.00 1.23 C ATOM 63 O LEU A 5 5.285 5.016 13.934 1.00 1.36 O ATOM 64 CB LEU A 5 5.168 8.332 14.414 1.00 1.40 C ATOM 65 CG LEU A 5 5.446 8.285 12.895 1.00 1.42 C ATOM 66 CD1 LEU A 5 6.735 7.562 12.471 1.00 2.46 C ATOM 67 CD2 LEU A 5 4.234 7.842 12.071 1.00 3.27 C ATOM 0 H LEU A 5 4.718 8.031 16.838 1.00 1.36 H new ATOM 0 HA LEU A 5 3.687 6.784 14.484 1.00 1.32 H new ATOM 0 HB2 LEU A 5 4.460 9.136 14.616 1.00 1.40 H new ATOM 0 HB3 LEU A 5 6.093 8.585 14.932 1.00 1.40 H new ATOM 0 HG LEU A 5 5.637 9.330 12.652 1.00 1.42 H new ATOM 0 HD11 LEU A 5 6.828 7.590 11.385 1.00 2.46 H new ATOM 0 HD12 LEU A 5 7.595 8.057 12.922 1.00 2.46 H new ATOM 0 HD13 LEU A 5 6.697 6.525 12.805 1.00 2.46 H new ATOM 0 HD21 LEU A 5 4.498 7.831 11.013 1.00 3.27 H new ATOM 0 HD22 LEU A 5 3.930 6.842 12.380 1.00 3.27 H new ATOM 0 HD23 LEU A 5 3.410 8.538 12.232 1.00 3.27 H new ATOM 79 N GLU A 6 6.650 5.811 15.534 1.00 1.11 N ATOM 80 CA GLU A 6 7.658 4.756 15.467 1.00 1.20 C ATOM 81 C GLU A 6 7.016 3.360 15.567 1.00 1.28 C ATOM 82 O GLU A 6 7.434 2.420 14.884 1.00 1.49 O ATOM 83 CB GLU A 6 8.683 5.063 16.570 1.00 1.52 C ATOM 84 CG GLU A 6 9.947 4.206 16.540 1.00 1.81 C ATOM 85 CD GLU A 6 11.131 4.998 17.114 1.00 3.55 C ATOM 86 OE1 GLU A 6 11.650 5.840 16.350 1.00 4.89 O ATOM 87 OE2 GLU A 6 11.489 4.820 18.301 1.00 4.33 O ATOM 0 H GLU A 6 6.859 6.516 16.241 1.00 1.11 H new ATOM 0 HA GLU A 6 8.169 4.738 14.504 1.00 1.20 H new ATOM 0 HB2 GLU A 6 8.972 6.111 16.494 1.00 1.52 H new ATOM 0 HB3 GLU A 6 8.200 4.935 17.539 1.00 1.52 H new ATOM 0 HG2 GLU A 6 9.793 3.295 17.119 1.00 1.81 H new ATOM 0 HG3 GLU A 6 10.165 3.900 15.517 1.00 1.81 H new ATOM 94 N LYS A 7 5.894 3.213 16.287 1.00 1.24 N ATOM 95 CA LYS A 7 5.195 1.920 16.374 1.00 1.54 C ATOM 96 C LYS A 7 4.204 1.670 15.220 1.00 1.57 C ATOM 97 O LYS A 7 3.723 0.555 15.039 1.00 1.75 O ATOM 98 CB LYS A 7 4.627 1.703 17.783 1.00 2.09 C ATOM 99 CG LYS A 7 3.526 2.650 18.274 1.00 1.40 C ATOM 100 CD LYS A 7 2.180 2.537 17.540 1.00 2.86 C ATOM 101 CE LYS A 7 1.518 1.157 17.669 1.00 3.92 C ATOM 102 NZ LYS A 7 1.111 0.874 19.070 1.00 5.08 N ATOM 0 H LYS A 7 5.453 3.967 16.814 1.00 1.24 H new ATOM 0 HA LYS A 7 5.933 1.132 16.223 1.00 1.54 H new ATOM 0 HB2 LYS A 7 4.238 0.686 17.832 1.00 2.09 H new ATOM 0 HB3 LYS A 7 5.456 1.762 18.489 1.00 2.09 H new ATOM 0 HG2 LYS A 7 3.358 2.465 19.335 1.00 1.40 H new ATOM 0 HG3 LYS A 7 3.885 3.675 18.182 1.00 1.40 H new ATOM 0 HD2 LYS A 7 1.499 3.294 17.930 1.00 2.86 H new ATOM 0 HD3 LYS A 7 2.333 2.759 16.484 1.00 2.86 H new ATOM 0 HE2 LYS A 7 0.644 1.110 17.019 1.00 3.92 H new ATOM 0 HE3 LYS A 7 2.211 0.387 17.328 1.00 3.92 H new ATOM 0 HZ1 LYS A 7 0.622 -0.043 19.111 1.00 5.08 H new ATOM 0 HZ2 LYS A 7 1.955 0.844 19.677 1.00 5.08 H new ATOM 0 HZ3 LYS A 7 0.471 1.623 19.403 1.00 5.08 H new ATOM 116 N ALA A 8 3.878 2.711 14.459 1.00 1.49 N ATOM 117 CA ALA A 8 2.956 2.730 13.324 1.00 1.66 C ATOM 118 C ALA A 8 3.685 2.585 11.976 1.00 1.22 C ATOM 119 O ALA A 8 3.277 1.761 11.155 1.00 1.11 O ATOM 120 CB ALA A 8 2.169 4.033 13.407 1.00 2.39 C ATOM 0 H ALA A 8 4.281 3.632 14.631 1.00 1.49 H new ATOM 0 HA ALA A 8 2.283 1.874 13.376 1.00 1.66 H new ATOM 0 HB1 ALA A 8 1.467 4.088 12.575 1.00 2.39 H new ATOM 0 HB2 ALA A 8 1.620 4.067 14.348 1.00 2.39 H new ATOM 0 HB3 ALA A 8 2.857 4.877 13.357 1.00 2.39 H new ATOM 126 N LEU A 9 4.833 3.252 11.795 1.00 1.23 N ATOM 127 CA LEU A 9 5.862 2.816 10.839 1.00 1.28 C ATOM 128 C LEU A 9 6.234 1.345 11.076 1.00 1.07 C ATOM 129 O LEU A 9 6.323 0.599 10.094 1.00 1.11 O ATOM 130 CB LEU A 9 7.096 3.739 10.943 1.00 1.54 C ATOM 131 CG LEU A 9 7.156 4.870 9.892 1.00 1.63 C ATOM 132 CD1 LEU A 9 7.656 4.348 8.533 1.00 1.40 C ATOM 133 CD2 LEU A 9 5.802 5.559 9.700 1.00 1.74 C ATOM 0 H LEU A 9 5.074 4.103 12.303 1.00 1.23 H new ATOM 0 HA LEU A 9 5.465 2.890 9.826 1.00 1.28 H new ATOM 0 HB2 LEU A 9 7.114 4.186 11.937 1.00 1.54 H new ATOM 0 HB3 LEU A 9 7.995 3.130 10.851 1.00 1.54 H new ATOM 0 HG LEU A 9 7.863 5.604 10.280 1.00 1.63 H new ATOM 0 HD11 LEU A 9 7.686 5.169 7.817 1.00 1.40 H new ATOM 0 HD12 LEU A 9 8.656 3.931 8.649 1.00 1.40 H new ATOM 0 HD13 LEU A 9 6.980 3.574 8.169 1.00 1.40 H new ATOM 0 HD21 LEU A 9 5.897 6.346 8.952 1.00 1.74 H new ATOM 0 HD22 LEU A 9 5.066 4.828 9.366 1.00 1.74 H new ATOM 0 HD23 LEU A 9 5.478 5.995 10.645 1.00 1.74 H new ATOM 145 N THR A 10 6.326 0.900 12.345 1.00 0.93 N ATOM 146 CA THR A 10 6.512 -0.530 12.658 1.00 0.86 C ATOM 147 C THR A 10 5.352 -1.366 12.124 1.00 0.77 C ATOM 148 O THR A 10 5.615 -2.370 11.466 1.00 0.91 O ATOM 149 CB THR A 10 6.762 -0.784 14.146 1.00 0.93 C ATOM 150 OG1 THR A 10 7.989 -0.192 14.483 1.00 1.18 O ATOM 151 CG2 THR A 10 6.905 -2.273 14.469 1.00 1.22 C ATOM 0 H THR A 10 6.275 1.506 13.164 1.00 0.93 H new ATOM 0 HA THR A 10 7.418 -0.850 12.143 1.00 0.86 H new ATOM 0 HB THR A 10 5.913 -0.378 14.696 1.00 0.93 H new ATOM 0 HG1 THR A 10 7.839 0.734 14.765 1.00 1.18 H new ATOM 0 HG21 THR A 10 7.081 -2.398 15.537 1.00 1.22 H new ATOM 0 HG22 THR A 10 5.991 -2.796 14.188 1.00 1.22 H new ATOM 0 HG23 THR A 10 7.745 -2.687 13.912 1.00 1.22 H new ATOM 159 N THR A 11 4.090 -0.948 12.316 1.00 0.71 N ATOM 160 CA THR A 11 2.929 -1.638 11.731 1.00 0.69 C ATOM 161 C THR A 11 3.060 -1.744 10.213 1.00 0.67 C ATOM 162 O THR A 11 2.839 -2.834 9.684 1.00 0.67 O ATOM 163 CB THR A 11 1.601 -0.979 12.121 1.00 0.80 C ATOM 164 OG1 THR A 11 1.489 -0.921 13.521 1.00 1.08 O ATOM 165 CG2 THR A 11 0.411 -1.804 11.640 1.00 0.95 C ATOM 0 H THR A 11 3.847 -0.130 12.875 1.00 0.71 H new ATOM 0 HA THR A 11 2.919 -2.646 12.147 1.00 0.69 H new ATOM 0 HB THR A 11 1.594 0.012 11.667 1.00 0.80 H new ATOM 0 HG1 THR A 11 2.190 -0.339 13.881 1.00 1.08 H new ATOM 0 HG21 THR A 11 -0.516 -1.310 11.932 1.00 0.95 H new ATOM 0 HG22 THR A 11 0.447 -1.896 10.554 1.00 0.95 H new ATOM 0 HG23 THR A 11 0.451 -2.796 12.089 1.00 0.95 H new ATOM 173 N MET A 12 3.460 -0.676 9.509 1.00 0.76 N ATOM 174 CA MET A 12 3.594 -0.706 8.052 1.00 0.87 C ATOM 175 C MET A 12 4.607 -1.756 7.584 1.00 0.88 C ATOM 176 O MET A 12 4.265 -2.564 6.719 1.00 0.90 O ATOM 177 CB MET A 12 3.956 0.683 7.487 1.00 1.04 C ATOM 178 CG MET A 12 3.268 0.884 6.139 1.00 1.04 C ATOM 179 SD MET A 12 4.074 2.094 5.057 1.00 1.54 S ATOM 180 CE MET A 12 2.806 3.389 5.013 1.00 0.69 C ATOM 0 H MET A 12 3.697 0.222 9.931 1.00 0.76 H new ATOM 0 HA MET A 12 2.618 -0.992 7.659 1.00 0.87 H new ATOM 0 HB2 MET A 12 3.647 1.462 8.184 1.00 1.04 H new ATOM 0 HB3 MET A 12 5.036 0.769 7.371 1.00 1.04 H new ATOM 0 HG2 MET A 12 3.223 -0.074 5.622 1.00 1.04 H new ATOM 0 HG3 MET A 12 2.240 1.200 6.314 1.00 1.04 H new ATOM 0 HE1 MET A 12 3.255 4.327 4.686 1.00 0.69 H new ATOM 0 HE2 MET A 12 2.017 3.102 4.318 1.00 0.69 H new ATOM 0 HE3 MET A 12 2.383 3.518 6.009 1.00 0.69 H new ATOM 190 N VAL A 13 5.822 -1.779 8.165 1.00 0.95 N ATOM 191 CA VAL A 13 6.878 -2.744 7.771 1.00 1.12 C ATOM 192 C VAL A 13 6.551 -4.179 8.199 1.00 1.09 C ATOM 193 O VAL A 13 6.847 -5.121 7.460 1.00 1.20 O ATOM 194 CB VAL A 13 8.303 -2.394 8.278 1.00 1.28 C ATOM 195 CG1 VAL A 13 8.846 -1.125 7.611 1.00 1.37 C ATOM 196 CG2 VAL A 13 8.426 -2.247 9.799 1.00 1.32 C ATOM 0 H VAL A 13 6.101 -1.141 8.910 1.00 0.95 H new ATOM 0 HA VAL A 13 6.887 -2.669 6.684 1.00 1.12 H new ATOM 0 HB VAL A 13 8.902 -3.259 7.993 1.00 1.28 H new ATOM 0 HG11 VAL A 13 9.845 -0.913 7.992 1.00 1.37 H new ATOM 0 HG12 VAL A 13 8.893 -1.272 6.532 1.00 1.37 H new ATOM 0 HG13 VAL A 13 8.187 -0.286 7.834 1.00 1.37 H new ATOM 0 HG21 VAL A 13 9.456 -2.002 10.059 1.00 1.32 H new ATOM 0 HG22 VAL A 13 7.766 -1.450 10.142 1.00 1.32 H new ATOM 0 HG23 VAL A 13 8.143 -3.184 10.279 1.00 1.32 H new ATOM 206 N THR A 14 5.923 -4.359 9.369 1.00 1.02 N ATOM 207 CA THR A 14 5.533 -5.676 9.889 1.00 1.16 C ATOM 208 C THR A 14 4.481 -6.310 8.988 1.00 1.05 C ATOM 209 O THR A 14 4.600 -7.489 8.668 1.00 1.19 O ATOM 210 CB THR A 14 5.031 -5.564 11.332 1.00 1.28 C ATOM 211 OG1 THR A 14 6.038 -4.953 12.100 1.00 1.60 O ATOM 212 CG2 THR A 14 4.760 -6.932 11.958 1.00 1.71 C ATOM 0 H THR A 14 5.669 -3.588 9.986 1.00 1.02 H new ATOM 0 HA THR A 14 6.411 -6.322 9.893 1.00 1.16 H new ATOM 0 HB THR A 14 4.103 -4.993 11.317 1.00 1.28 H new ATOM 0 HG1 THR A 14 6.071 -3.995 11.894 1.00 1.60 H new ATOM 0 HG21 THR A 14 4.406 -6.801 12.981 1.00 1.71 H new ATOM 0 HG22 THR A 14 4.001 -7.455 11.376 1.00 1.71 H new ATOM 0 HG23 THR A 14 5.679 -7.518 11.965 1.00 1.71 H new ATOM 220 N THR A 15 3.507 -5.514 8.527 1.00 0.89 N ATOM 221 CA THR A 15 2.420 -5.942 7.633 1.00 0.84 C ATOM 222 C THR A 15 2.947 -6.398 6.274 1.00 0.70 C ATOM 223 O THR A 15 2.487 -7.409 5.772 1.00 0.78 O ATOM 224 CB THR A 15 1.380 -4.827 7.498 1.00 0.87 C ATOM 225 OG1 THR A 15 0.909 -4.492 8.780 1.00 1.92 O ATOM 226 CG2 THR A 15 0.176 -5.264 6.669 1.00 1.37 C ATOM 0 H THR A 15 3.451 -4.526 8.772 1.00 0.89 H new ATOM 0 HA THR A 15 1.933 -6.809 8.079 1.00 0.84 H new ATOM 0 HB THR A 15 1.862 -3.984 7.003 1.00 0.87 H new ATOM 0 HG1 THR A 15 1.605 -4.002 9.266 1.00 1.92 H new ATOM 0 HG21 THR A 15 -0.536 -4.441 6.600 1.00 1.37 H new ATOM 0 HG22 THR A 15 0.505 -5.544 5.668 1.00 1.37 H new ATOM 0 HG23 THR A 15 -0.303 -6.119 7.146 1.00 1.37 H new ATOM 234 N PHE A 16 3.951 -5.730 5.710 1.00 0.60 N ATOM 235 CA PHE A 16 4.642 -6.183 4.501 1.00 0.53 C ATOM 236 C PHE A 16 5.470 -7.463 4.739 1.00 0.62 C ATOM 237 O PHE A 16 5.412 -8.409 3.954 1.00 0.64 O ATOM 238 CB PHE A 16 5.523 -4.999 4.057 1.00 0.56 C ATOM 239 CG PHE A 16 6.388 -5.196 2.828 1.00 0.54 C ATOM 240 CD1 PHE A 16 7.602 -5.908 2.917 1.00 1.95 C ATOM 241 CD2 PHE A 16 6.031 -4.579 1.615 1.00 1.96 C ATOM 242 CE1 PHE A 16 8.446 -6.004 1.802 1.00 2.00 C ATOM 243 CE2 PHE A 16 6.889 -4.658 0.504 1.00 1.93 C ATOM 244 CZ PHE A 16 8.101 -5.360 0.600 1.00 0.59 C ATOM 0 H PHE A 16 4.312 -4.851 6.081 1.00 0.60 H new ATOM 0 HA PHE A 16 3.928 -6.461 3.725 1.00 0.53 H new ATOM 0 HB2 PHE A 16 4.872 -4.144 3.877 1.00 0.56 H new ATOM 0 HB3 PHE A 16 6.175 -4.734 4.889 1.00 0.56 H new ATOM 0 HD1 PHE A 16 7.882 -6.381 3.847 1.00 1.95 H new ATOM 0 HD2 PHE A 16 5.096 -4.044 1.537 1.00 1.96 H new ATOM 0 HE1 PHE A 16 9.362 -6.573 1.866 1.00 2.00 H new ATOM 0 HE2 PHE A 16 6.615 -4.178 -0.424 1.00 1.93 H new ATOM 0 HZ PHE A 16 8.768 -5.406 -0.248 1.00 0.59 H new ATOM 254 N HIS A 17 6.221 -7.531 5.844 1.00 0.82 N ATOM 255 CA HIS A 17 7.022 -8.709 6.200 1.00 0.98 C ATOM 256 C HIS A 17 6.159 -9.962 6.435 1.00 1.13 C ATOM 257 O HIS A 17 6.597 -11.074 6.152 1.00 1.24 O ATOM 258 CB HIS A 17 7.876 -8.405 7.444 1.00 1.21 C ATOM 259 CG HIS A 17 9.074 -7.505 7.220 1.00 2.94 C ATOM 260 ND1 HIS A 17 9.592 -6.602 8.123 1.00 4.89 N ATOM 261 CD2 HIS A 17 9.927 -7.523 6.147 1.00 3.40 C ATOM 262 CE1 HIS A 17 10.722 -6.092 7.606 1.00 6.14 C ATOM 263 NE2 HIS A 17 10.980 -6.642 6.413 1.00 5.26 N ATOM 0 H HIS A 17 6.291 -6.769 6.519 1.00 0.82 H new ATOM 0 HA HIS A 17 7.672 -8.928 5.353 1.00 0.98 H new ATOM 0 HB2 HIS A 17 7.236 -7.945 8.197 1.00 1.21 H new ATOM 0 HB3 HIS A 17 8.228 -9.349 7.859 1.00 1.21 H new ATOM 0 HD1 HIS A 17 9.187 -6.362 9.028 1.00 4.89 H new ATOM 0 HD2 HIS A 17 9.807 -8.115 5.252 1.00 3.40 H new ATOM 0 HE1 HIS A 17 11.336 -5.344 8.085 1.00 6.14 H new ATOM 272 N LYS A 18 4.920 -9.792 6.902 1.00 1.24 N ATOM 273 CA LYS A 18 3.904 -10.845 7.040 1.00 1.46 C ATOM 274 C LYS A 18 3.532 -11.518 5.699 1.00 1.38 C ATOM 275 O LYS A 18 3.009 -12.630 5.710 1.00 1.61 O ATOM 276 CB LYS A 18 2.702 -10.182 7.732 1.00 1.69 C ATOM 277 CG LYS A 18 1.515 -11.085 8.091 1.00 1.47 C ATOM 278 CD LYS A 18 0.394 -10.199 8.650 1.00 2.68 C ATOM 279 CE LYS A 18 -0.820 -11.034 9.063 1.00 2.76 C ATOM 280 NZ LYS A 18 -1.954 -10.153 9.417 1.00 3.41 N ATOM 0 H LYS A 18 4.580 -8.880 7.208 1.00 1.24 H new ATOM 0 HA LYS A 18 4.289 -11.673 7.635 1.00 1.46 H new ATOM 0 HB2 LYS A 18 3.057 -9.711 8.648 1.00 1.69 H new ATOM 0 HB3 LYS A 18 2.337 -9.385 7.084 1.00 1.69 H new ATOM 0 HG2 LYS A 18 1.169 -11.627 7.211 1.00 1.47 H new ATOM 0 HG3 LYS A 18 1.813 -11.831 8.827 1.00 1.47 H new ATOM 0 HD2 LYS A 18 0.764 -9.640 9.510 1.00 2.68 H new ATOM 0 HD3 LYS A 18 0.097 -9.468 7.899 1.00 2.68 H new ATOM 0 HE2 LYS A 18 -1.107 -11.698 8.248 1.00 2.76 H new ATOM 0 HE3 LYS A 18 -0.563 -11.666 9.913 1.00 2.76 H new ATOM 0 HZ1 LYS A 18 -2.058 -10.119 10.451 1.00 3.41 H new ATOM 0 HZ2 LYS A 18 -1.775 -9.194 9.056 1.00 3.41 H new ATOM 0 HZ3 LYS A 18 -2.828 -10.525 8.993 1.00 3.41 H new ATOM 294 N TYR A 19 3.814 -10.877 4.555 1.00 1.12 N ATOM 295 CA TYR A 19 3.534 -11.401 3.211 1.00 1.15 C ATOM 296 C TYR A 19 4.791 -11.853 2.444 1.00 1.16 C ATOM 297 O TYR A 19 4.761 -12.887 1.791 1.00 1.77 O ATOM 298 CB TYR A 19 2.710 -10.373 2.422 1.00 1.06 C ATOM 299 CG TYR A 19 1.270 -10.319 2.896 1.00 1.07 C ATOM 300 CD1 TYR A 19 0.961 -9.791 4.158 1.00 2.44 C ATOM 301 CD2 TYR A 19 0.238 -10.855 2.109 1.00 1.39 C ATOM 302 CE1 TYR A 19 -0.346 -9.818 4.654 1.00 2.49 C ATOM 303 CE2 TYR A 19 -1.085 -10.889 2.588 1.00 1.44 C ATOM 304 CZ TYR A 19 -1.379 -10.392 3.880 1.00 1.21 C ATOM 305 OH TYR A 19 -2.640 -10.486 4.378 1.00 1.33 O ATOM 0 H TYR A 19 4.254 -9.957 4.539 1.00 1.12 H new ATOM 0 HA TYR A 19 2.949 -12.313 3.332 1.00 1.15 H new ATOM 0 HB2 TYR A 19 3.164 -9.387 2.526 1.00 1.06 H new ATOM 0 HB3 TYR A 19 2.734 -10.625 1.362 1.00 1.06 H new ATOM 0 HD1 TYR A 19 1.747 -9.356 4.758 1.00 2.44 H new ATOM 0 HD2 TYR A 19 0.462 -11.245 1.127 1.00 1.39 H new ATOM 0 HE1 TYR A 19 -0.565 -9.401 5.626 1.00 2.49 H new ATOM 0 HE2 TYR A 19 -1.874 -11.293 1.971 1.00 1.44 H new ATOM 0 HH TYR A 19 -2.635 -10.247 5.328 1.00 1.33 H new ATOM 315 N SER A 20 5.918 -11.150 2.572 1.00 0.82 N ATOM 316 CA SER A 20 7.194 -11.585 1.986 1.00 0.87 C ATOM 317 C SER A 20 7.845 -12.737 2.779 1.00 1.00 C ATOM 318 O SER A 20 8.387 -13.680 2.201 1.00 1.47 O ATOM 319 CB SER A 20 8.130 -10.379 1.903 1.00 0.89 C ATOM 320 OG SER A 20 8.385 -9.812 3.173 1.00 1.64 O ATOM 0 H SER A 20 5.976 -10.268 3.081 1.00 0.82 H new ATOM 0 HA SER A 20 7.001 -11.978 0.988 1.00 0.87 H new ATOM 0 HB2 SER A 20 9.072 -10.683 1.447 1.00 0.89 H new ATOM 0 HB3 SER A 20 7.690 -9.624 1.252 1.00 0.89 H new ATOM 0 HG SER A 20 9.340 -9.606 3.254 1.00 1.64 H new ATOM 326 N GLY A 21 7.717 -12.732 4.113 1.00 1.10 N ATOM 327 CA GLY A 21 8.264 -13.750 5.022 1.00 1.34 C ATOM 328 C GLY A 21 7.609 -15.130 4.926 1.00 1.51 C ATOM 329 O GLY A 21 8.037 -16.044 5.623 1.00 1.92 O ATOM 0 H GLY A 21 7.213 -11.995 4.606 1.00 1.10 H new ATOM 0 HA2 GLY A 21 9.330 -13.857 4.822 1.00 1.34 H new ATOM 0 HA3 GLY A 21 8.166 -13.390 6.046 1.00 1.34 H new ATOM 332 N ARG A 22 6.616 -15.290 4.042 1.00 1.60 N ATOM 333 CA ARG A 22 6.108 -16.585 3.581 1.00 1.77 C ATOM 334 C ARG A 22 7.133 -17.351 2.730 1.00 1.97 C ATOM 335 O ARG A 22 7.160 -18.575 2.782 1.00 2.43 O ATOM 336 CB ARG A 22 4.873 -16.337 2.704 1.00 1.70 C ATOM 337 CG ARG A 22 3.588 -16.060 3.499 1.00 2.58 C ATOM 338 CD ARG A 22 2.505 -15.301 2.717 1.00 2.60 C ATOM 339 NE ARG A 22 2.559 -15.467 1.256 1.00 1.88 N ATOM 340 CZ ARG A 22 1.868 -14.782 0.358 1.00 2.47 C ATOM 341 NH1 ARG A 22 0.857 -13.988 0.665 1.00 3.73 N ATOM 342 NH2 ARG A 22 2.212 -14.899 -0.895 1.00 3.18 N ATOM 0 H ARG A 22 6.132 -14.499 3.617 1.00 1.60 H new ATOM 0 HA ARG A 22 5.880 -17.181 4.465 1.00 1.77 H new ATOM 0 HB2 ARG A 22 5.071 -15.490 2.047 1.00 1.70 H new ATOM 0 HB3 ARG A 22 4.713 -17.206 2.066 1.00 1.70 H new ATOM 0 HG2 ARG A 22 3.174 -17.010 3.839 1.00 2.58 H new ATOM 0 HG3 ARG A 22 3.844 -15.487 4.390 1.00 2.58 H new ATOM 0 HD2 ARG A 22 1.527 -15.630 3.069 1.00 2.60 H new ATOM 0 HD3 ARG A 22 2.587 -14.239 2.950 1.00 2.60 H new ATOM 0 HE ARG A 22 3.193 -16.182 0.899 1.00 1.88 H new ATOM 0 HH11 ARG A 22 0.572 -13.878 1.638 1.00 3.73 H new ATOM 0 HH12 ARG A 22 0.362 -13.485 -0.071 1.00 3.73 H new ATOM 0 HH21 ARG A 22 2.991 -15.504 -1.156 1.00 3.18 H new ATOM 0 HH22 ARG A 22 1.702 -14.386 -1.614 1.00 3.18 H new ATOM 356 N GLU A 23 7.913 -16.642 1.909 1.00 1.85 N ATOM 357 CA GLU A 23 8.570 -17.197 0.721 1.00 2.14 C ATOM 358 C GLU A 23 10.017 -16.665 0.597 1.00 2.10 C ATOM 359 O GLU A 23 10.866 -17.019 1.421 1.00 2.83 O ATOM 360 CB GLU A 23 7.665 -16.935 -0.512 1.00 2.52 C ATOM 361 CG GLU A 23 6.448 -17.879 -0.583 1.00 3.29 C ATOM 362 CD GLU A 23 5.222 -17.214 -1.207 1.00 4.27 C ATOM 363 OE1 GLU A 23 4.495 -16.520 -0.456 1.00 5.36 O ATOM 364 OE2 GLU A 23 4.989 -17.407 -2.418 1.00 4.66 O ATOM 0 H GLU A 23 8.109 -15.651 2.053 1.00 1.85 H new ATOM 0 HA GLU A 23 8.686 -18.278 0.800 1.00 2.14 H new ATOM 0 HB2 GLU A 23 7.315 -15.903 -0.485 1.00 2.52 H new ATOM 0 HB3 GLU A 23 8.257 -17.047 -1.420 1.00 2.52 H new ATOM 0 HG2 GLU A 23 6.712 -18.763 -1.164 1.00 3.29 H new ATOM 0 HG3 GLU A 23 6.199 -18.221 0.422 1.00 3.29 H new ATOM 371 N GLY A 24 10.335 -15.865 -0.429 1.00 2.07 N ATOM 372 CA GLY A 24 11.699 -15.426 -0.760 1.00 2.21 C ATOM 373 C GLY A 24 11.959 -13.935 -0.547 1.00 1.91 C ATOM 374 O GLY A 24 11.066 -13.158 -0.216 1.00 3.24 O ATOM 0 H GLY A 24 9.633 -15.495 -1.069 1.00 2.07 H new ATOM 0 HA2 GLY A 24 12.406 -15.994 -0.155 1.00 2.21 H new ATOM 0 HA3 GLY A 24 11.902 -15.671 -1.802 1.00 2.21 H new ATOM 377 N SER A 25 13.227 -13.560 -0.753 1.00 1.66 N ATOM 378 CA SER A 25 13.645 -12.189 -1.124 1.00 1.89 C ATOM 379 C SER A 25 13.392 -11.097 -0.055 1.00 2.20 C ATOM 380 O SER A 25 13.447 -9.909 -0.341 1.00 3.42 O ATOM 381 CB SER A 25 13.017 -11.810 -2.479 1.00 2.11 C ATOM 382 OG SER A 25 13.113 -12.857 -3.435 1.00 3.68 O ATOM 0 H SER A 25 14.011 -14.207 -0.667 1.00 1.66 H new ATOM 0 HA SER A 25 14.732 -12.221 -1.202 1.00 1.89 H new ATOM 0 HB2 SER A 25 11.968 -11.553 -2.331 1.00 2.11 H new ATOM 0 HB3 SER A 25 13.511 -10.920 -2.869 1.00 2.11 H new ATOM 0 HG SER A 25 12.589 -12.624 -4.229 1.00 3.68 H new ATOM 388 N LYS A 26 13.144 -11.470 1.208 1.00 1.65 N ATOM 389 CA LYS A 26 12.099 -10.955 2.112 1.00 1.72 C ATOM 390 C LYS A 26 11.916 -9.422 2.289 1.00 1.44 C ATOM 391 O LYS A 26 10.877 -9.008 2.815 1.00 1.73 O ATOM 392 CB LYS A 26 12.356 -11.737 3.420 1.00 1.93 C ATOM 393 CG LYS A 26 11.363 -11.551 4.579 1.00 2.07 C ATOM 394 CD LYS A 26 11.754 -10.426 5.549 1.00 3.22 C ATOM 395 CE LYS A 26 13.075 -10.633 6.301 1.00 2.91 C ATOM 396 NZ LYS A 26 13.077 -11.825 7.185 1.00 3.18 N ATOM 0 H LYS A 26 13.707 -12.191 1.660 1.00 1.65 H new ATOM 0 HA LYS A 26 11.120 -11.125 1.663 1.00 1.72 H new ATOM 0 HB2 LYS A 26 12.387 -12.798 3.174 1.00 1.93 H new ATOM 0 HB3 LYS A 26 13.347 -11.465 3.783 1.00 1.93 H new ATOM 0 HG2 LYS A 26 10.375 -11.339 4.170 1.00 2.07 H new ATOM 0 HG3 LYS A 26 11.285 -12.486 5.133 1.00 2.07 H new ATOM 0 HD2 LYS A 26 11.817 -9.493 4.989 1.00 3.22 H new ATOM 0 HD3 LYS A 26 10.955 -10.306 6.280 1.00 3.22 H new ATOM 0 HE2 LYS A 26 13.884 -10.727 5.577 1.00 2.91 H new ATOM 0 HE3 LYS A 26 13.285 -9.747 6.900 1.00 2.91 H new ATOM 0 HZ1 LYS A 26 13.817 -11.720 7.908 1.00 3.18 H new ATOM 0 HZ2 LYS A 26 12.150 -11.915 7.649 1.00 3.18 H new ATOM 0 HZ3 LYS A 26 13.265 -12.677 6.619 1.00 3.18 H new ATOM 410 N LEU A 27 12.867 -8.568 1.903 1.00 1.20 N ATOM 411 CA LEU A 27 12.644 -7.114 1.820 1.00 1.09 C ATOM 412 C LEU A 27 11.872 -6.696 0.551 1.00 0.85 C ATOM 413 O LEU A 27 11.426 -5.550 0.485 1.00 0.82 O ATOM 414 CB LEU A 27 13.982 -6.367 1.956 1.00 1.39 C ATOM 415 CG LEU A 27 14.789 -6.678 3.235 1.00 2.38 C ATOM 416 CD1 LEU A 27 15.954 -5.688 3.339 1.00 2.71 C ATOM 417 CD2 LEU A 27 13.951 -6.617 4.524 1.00 3.33 C ATOM 0 H LEU A 27 13.809 -8.858 1.640 1.00 1.20 H new ATOM 0 HA LEU A 27 12.003 -6.830 2.654 1.00 1.09 H new ATOM 0 HB2 LEU A 27 14.600 -6.604 1.090 1.00 1.39 H new ATOM 0 HB3 LEU A 27 13.785 -5.295 1.923 1.00 1.39 H new ATOM 0 HG LEU A 27 15.144 -7.705 3.146 1.00 2.38 H new ATOM 0 HD11 LEU A 27 16.531 -5.899 4.239 1.00 2.71 H new ATOM 0 HD12 LEU A 27 16.596 -5.789 2.464 1.00 2.71 H new ATOM 0 HD13 LEU A 27 15.564 -4.671 3.387 1.00 2.71 H new ATOM 0 HD21 LEU A 27 14.584 -6.846 5.381 1.00 3.33 H new ATOM 0 HD22 LEU A 27 13.533 -5.617 4.639 1.00 3.33 H new ATOM 0 HD23 LEU A 27 13.141 -7.344 4.466 1.00 3.33 H new ATOM 429 N THR A 28 11.668 -7.616 -0.403 1.00 0.88 N ATOM 430 CA THR A 28 10.773 -7.477 -1.555 1.00 0.69 C ATOM 431 C THR A 28 9.621 -8.492 -1.513 1.00 0.69 C ATOM 432 O THR A 28 9.596 -9.367 -0.645 1.00 0.88 O ATOM 433 CB THR A 28 11.558 -7.632 -2.867 1.00 0.72 C ATOM 434 OG1 THR A 28 12.142 -8.902 -2.863 1.00 0.83 O ATOM 435 CG2 THR A 28 12.674 -6.600 -3.041 1.00 0.84 C ATOM 0 H THR A 28 12.145 -8.517 -0.389 1.00 0.88 H new ATOM 0 HA THR A 28 10.340 -6.478 -1.508 1.00 0.69 H new ATOM 0 HB THR A 28 10.855 -7.485 -3.687 1.00 0.72 H new ATOM 0 HG1 THR A 28 12.141 -9.266 -3.773 1.00 0.83 H new ATOM 0 HG21 THR A 28 13.184 -6.772 -3.989 1.00 0.84 H new ATOM 0 HG22 THR A 28 12.247 -5.597 -3.035 1.00 0.84 H new ATOM 0 HG23 THR A 28 13.388 -6.695 -2.223 1.00 0.84 H new ATOM 443 N LEU A 29 8.696 -8.376 -2.476 1.00 0.60 N ATOM 444 CA LEU A 29 7.659 -9.349 -2.909 1.00 0.61 C ATOM 445 C LEU A 29 7.104 -8.945 -4.292 1.00 0.58 C ATOM 446 O LEU A 29 7.722 -8.104 -4.926 1.00 0.69 O ATOM 447 CB LEU A 29 6.584 -9.608 -1.826 1.00 0.77 C ATOM 448 CG LEU A 29 5.456 -8.570 -1.651 1.00 0.89 C ATOM 449 CD1 LEU A 29 4.597 -8.980 -0.447 1.00 1.25 C ATOM 450 CD2 LEU A 29 5.954 -7.143 -1.434 1.00 0.89 C ATOM 0 H LEU A 29 8.642 -7.521 -3.030 1.00 0.60 H new ATOM 0 HA LEU A 29 8.124 -10.327 -3.033 1.00 0.61 H new ATOM 0 HB2 LEU A 29 6.120 -10.570 -2.042 1.00 0.77 H new ATOM 0 HB3 LEU A 29 7.095 -9.709 -0.868 1.00 0.77 H new ATOM 0 HG LEU A 29 4.887 -8.564 -2.581 1.00 0.89 H new ATOM 0 HD11 LEU A 29 3.794 -8.256 -0.309 1.00 1.25 H new ATOM 0 HD12 LEU A 29 4.169 -9.967 -0.624 1.00 1.25 H new ATOM 0 HD13 LEU A 29 5.217 -9.009 0.449 1.00 1.25 H new ATOM 0 HD21 LEU A 29 5.101 -6.474 -1.320 1.00 0.89 H new ATOM 0 HD22 LEU A 29 6.568 -7.105 -0.534 1.00 0.89 H new ATOM 0 HD23 LEU A 29 6.548 -6.830 -2.293 1.00 0.89 H new ATOM 462 N SER A 30 5.996 -9.488 -4.812 1.00 0.76 N ATOM 463 CA SER A 30 5.493 -9.153 -6.169 1.00 0.85 C ATOM 464 C SER A 30 4.427 -8.031 -6.228 1.00 0.89 C ATOM 465 O SER A 30 3.705 -7.796 -5.250 1.00 0.97 O ATOM 466 CB SER A 30 4.937 -10.416 -6.846 1.00 0.98 C ATOM 467 OG SER A 30 3.733 -10.873 -6.235 1.00 1.60 O ATOM 0 H SER A 30 5.420 -10.168 -4.316 1.00 0.76 H new ATOM 0 HA SER A 30 6.360 -8.760 -6.699 1.00 0.85 H new ATOM 0 HB2 SER A 30 4.751 -10.208 -7.900 1.00 0.98 H new ATOM 0 HB3 SER A 30 5.686 -11.207 -6.804 1.00 0.98 H new ATOM 0 HG SER A 30 3.415 -11.676 -6.699 1.00 1.60 H new ATOM 473 N ARG A 31 4.233 -7.379 -7.397 1.00 0.89 N ATOM 474 CA ARG A 31 3.160 -6.364 -7.567 1.00 0.93 C ATOM 475 C ARG A 31 1.769 -6.908 -7.195 1.00 0.99 C ATOM 476 O ARG A 31 0.930 -6.181 -6.659 1.00 1.07 O ATOM 477 CB ARG A 31 3.002 -5.846 -9.012 1.00 1.13 C ATOM 478 CG ARG A 31 4.233 -5.481 -9.845 1.00 1.19 C ATOM 479 CD ARG A 31 5.192 -4.519 -9.151 1.00 1.56 C ATOM 480 NE ARG A 31 4.559 -3.274 -8.657 1.00 2.26 N ATOM 481 CZ ARG A 31 5.127 -2.069 -8.571 1.00 2.55 C ATOM 482 NH1 ARG A 31 6.252 -1.762 -9.168 1.00 2.55 N ATOM 483 NH2 ARG A 31 4.629 -1.116 -7.818 1.00 3.51 N ATOM 0 H ARG A 31 4.798 -7.533 -8.232 1.00 0.89 H new ATOM 0 HA ARG A 31 3.485 -5.563 -6.903 1.00 0.93 H new ATOM 0 HB2 ARG A 31 2.451 -6.605 -9.567 1.00 1.13 H new ATOM 0 HB3 ARG A 31 2.368 -4.960 -8.969 1.00 1.13 H new ATOM 0 HG2 ARG A 31 4.771 -6.395 -10.098 1.00 1.19 H new ATOM 0 HG3 ARG A 31 3.904 -5.035 -10.784 1.00 1.19 H new ATOM 0 HD2 ARG A 31 5.658 -5.033 -8.311 1.00 1.56 H new ATOM 0 HD3 ARG A 31 5.989 -4.256 -9.846 1.00 1.56 H new ATOM 0 HE ARG A 31 3.589 -3.345 -8.351 1.00 2.26 H new ATOM 0 HH11 ARG A 31 6.737 -2.460 -9.732 1.00 2.55 H new ATOM 0 HH12 ARG A 31 6.643 -0.825 -9.069 1.00 2.55 H new ATOM 0 HH21 ARG A 31 3.782 -1.285 -7.275 1.00 3.51 H new ATOM 0 HH22 ARG A 31 5.089 -0.207 -7.776 1.00 3.51 H new ATOM 497 N LYS A 32 1.528 -8.180 -7.512 1.00 0.99 N ATOM 498 CA LYS A 32 0.263 -8.879 -7.275 1.00 1.00 C ATOM 499 C LYS A 32 -0.044 -9.070 -5.777 1.00 0.92 C ATOM 500 O LYS A 32 -1.178 -8.837 -5.361 1.00 0.98 O ATOM 501 CB LYS A 32 0.337 -10.197 -8.062 1.00 1.04 C ATOM 502 CG LYS A 32 -1.037 -10.846 -8.293 1.00 1.73 C ATOM 503 CD LYS A 32 -1.005 -11.784 -9.511 1.00 2.07 C ATOM 504 CE LYS A 32 0.007 -12.924 -9.337 1.00 3.43 C ATOM 505 NZ LYS A 32 0.272 -13.631 -10.611 1.00 4.44 N ATOM 0 H LYS A 32 2.230 -8.772 -7.955 1.00 0.99 H new ATOM 0 HA LYS A 32 -0.579 -8.283 -7.627 1.00 1.00 H new ATOM 0 HB2 LYS A 32 0.809 -10.010 -9.026 1.00 1.04 H new ATOM 0 HB3 LYS A 32 0.976 -10.898 -7.524 1.00 1.04 H new ATOM 0 HG2 LYS A 32 -1.333 -11.406 -7.406 1.00 1.73 H new ATOM 0 HG3 LYS A 32 -1.788 -10.071 -8.446 1.00 1.73 H new ATOM 0 HD2 LYS A 32 -1.998 -12.203 -9.671 1.00 2.07 H new ATOM 0 HD3 LYS A 32 -0.754 -11.210 -10.403 1.00 2.07 H new ATOM 0 HE2 LYS A 32 0.941 -12.522 -8.944 1.00 3.43 H new ATOM 0 HE3 LYS A 32 -0.370 -13.634 -8.600 1.00 3.43 H new ATOM 0 HZ1 LYS A 32 0.961 -14.393 -10.448 1.00 4.44 H new ATOM 0 HZ2 LYS A 32 -0.614 -14.037 -10.974 1.00 4.44 H new ATOM 0 HZ3 LYS A 32 0.656 -12.960 -11.307 1.00 4.44 H new ATOM 519 N GLU A 33 0.965 -9.389 -4.961 1.00 0.89 N ATOM 520 CA GLU A 33 0.787 -9.487 -3.507 1.00 0.93 C ATOM 521 C GLU A 33 0.664 -8.101 -2.847 1.00 0.91 C ATOM 522 O GLU A 33 -0.160 -7.939 -1.948 1.00 0.98 O ATOM 523 CB GLU A 33 1.938 -10.293 -2.892 1.00 0.98 C ATOM 524 CG GLU A 33 1.556 -10.867 -1.522 1.00 1.90 C ATOM 525 CD GLU A 33 0.546 -12.008 -1.621 1.00 2.23 C ATOM 526 OE1 GLU A 33 0.852 -12.980 -2.344 1.00 2.20 O ATOM 527 OE2 GLU A 33 -0.452 -12.030 -0.874 1.00 3.49 O ATOM 0 H GLU A 33 1.914 -9.584 -5.281 1.00 0.89 H new ATOM 0 HA GLU A 33 -0.150 -10.009 -3.317 1.00 0.93 H new ATOM 0 HB2 GLU A 33 2.213 -11.106 -3.564 1.00 0.98 H new ATOM 0 HB3 GLU A 33 2.815 -9.654 -2.788 1.00 0.98 H new ATOM 0 HG2 GLU A 33 2.454 -11.225 -1.020 1.00 1.90 H new ATOM 0 HG3 GLU A 33 1.140 -10.072 -0.903 1.00 1.90 H new ATOM 534 N LEU A 34 1.390 -7.077 -3.338 1.00 0.84 N ATOM 535 CA LEU A 34 1.162 -5.677 -2.935 1.00 0.84 C ATOM 536 C LEU A 34 -0.310 -5.305 -3.126 1.00 0.80 C ATOM 537 O LEU A 34 -0.952 -4.871 -2.172 1.00 0.75 O ATOM 538 CB LEU A 34 2.118 -4.735 -3.704 1.00 0.86 C ATOM 539 CG LEU A 34 1.676 -3.258 -3.859 1.00 1.14 C ATOM 540 CD1 LEU A 34 1.528 -2.548 -2.516 1.00 1.77 C ATOM 541 CD2 LEU A 34 2.687 -2.457 -4.691 1.00 1.17 C ATOM 0 H LEU A 34 2.142 -7.195 -4.017 1.00 0.84 H new ATOM 0 HA LEU A 34 1.386 -5.562 -1.875 1.00 0.84 H new ATOM 0 HB2 LEU A 34 3.084 -4.748 -3.200 1.00 0.86 H new ATOM 0 HB3 LEU A 34 2.272 -5.149 -4.701 1.00 0.86 H new ATOM 0 HG LEU A 34 0.708 -3.297 -4.359 1.00 1.14 H new ATOM 0 HD11 LEU A 34 1.217 -1.517 -2.682 1.00 1.77 H new ATOM 0 HD12 LEU A 34 0.778 -3.061 -1.914 1.00 1.77 H new ATOM 0 HD13 LEU A 34 2.483 -2.559 -1.992 1.00 1.77 H new ATOM 0 HD21 LEU A 34 2.348 -1.425 -4.781 1.00 1.17 H new ATOM 0 HD22 LEU A 34 3.660 -2.478 -4.200 1.00 1.17 H new ATOM 0 HD23 LEU A 34 2.772 -2.899 -5.684 1.00 1.17 H new ATOM 553 N LYS A 35 -0.859 -5.519 -4.333 1.00 0.85 N ATOM 554 CA LYS A 35 -2.273 -5.280 -4.651 1.00 0.86 C ATOM 555 C LYS A 35 -3.197 -5.973 -3.641 1.00 0.88 C ATOM 556 O LYS A 35 -4.125 -5.331 -3.148 1.00 1.05 O ATOM 557 CB LYS A 35 -2.548 -5.737 -6.104 1.00 0.91 C ATOM 558 CG LYS A 35 -4.048 -5.863 -6.432 1.00 1.37 C ATOM 559 CD LYS A 35 -4.355 -6.237 -7.893 1.00 1.41 C ATOM 560 CE LYS A 35 -4.012 -5.093 -8.853 1.00 2.99 C ATOM 561 NZ LYS A 35 -4.560 -5.308 -10.216 1.00 4.03 N ATOM 0 H LYS A 35 -0.322 -5.869 -5.127 1.00 0.85 H new ATOM 0 HA LYS A 35 -2.487 -4.214 -4.576 1.00 0.86 H new ATOM 0 HB2 LYS A 35 -2.091 -5.027 -6.793 1.00 0.91 H new ATOM 0 HB3 LYS A 35 -2.065 -6.699 -6.272 1.00 0.91 H new ATOM 0 HG2 LYS A 35 -4.488 -6.616 -5.778 1.00 1.37 H new ATOM 0 HG3 LYS A 35 -4.537 -4.917 -6.202 1.00 1.37 H new ATOM 0 HD2 LYS A 35 -3.788 -7.126 -8.168 1.00 1.41 H new ATOM 0 HD3 LYS A 35 -5.411 -6.490 -7.990 1.00 1.41 H new ATOM 0 HE2 LYS A 35 -4.402 -4.158 -8.452 1.00 2.99 H new ATOM 0 HE3 LYS A 35 -2.929 -4.987 -8.913 1.00 2.99 H new ATOM 0 HZ1 LYS A 35 -4.449 -4.439 -10.776 1.00 4.03 H new ATOM 0 HZ2 LYS A 35 -4.047 -6.086 -10.678 1.00 4.03 H new ATOM 0 HZ3 LYS A 35 -5.569 -5.551 -10.150 1.00 4.03 H new ATOM 575 N GLU A 36 -2.929 -7.234 -3.324 1.00 0.80 N ATOM 576 CA GLU A 36 -3.790 -8.040 -2.478 1.00 0.82 C ATOM 577 C GLU A 36 -3.730 -7.564 -1.025 1.00 0.80 C ATOM 578 O GLU A 36 -4.768 -7.522 -0.369 1.00 0.84 O ATOM 579 CB GLU A 36 -3.393 -9.513 -2.653 1.00 0.89 C ATOM 580 CG GLU A 36 -4.438 -10.477 -2.087 1.00 1.06 C ATOM 581 CD GLU A 36 -5.794 -10.418 -2.798 1.00 1.67 C ATOM 582 OE1 GLU A 36 -5.871 -9.912 -3.934 1.00 2.38 O ATOM 583 OE2 GLU A 36 -6.763 -10.922 -2.185 1.00 2.81 O ATOM 0 H GLU A 36 -2.099 -7.727 -3.652 1.00 0.80 H new ATOM 0 HA GLU A 36 -4.833 -7.931 -2.774 1.00 0.82 H new ATOM 0 HB2 GLU A 36 -3.248 -9.722 -3.713 1.00 0.89 H new ATOM 0 HB3 GLU A 36 -2.437 -9.689 -2.159 1.00 0.89 H new ATOM 0 HG2 GLU A 36 -4.051 -11.494 -2.150 1.00 1.06 H new ATOM 0 HG3 GLU A 36 -4.584 -10.257 -1.030 1.00 1.06 H new ATOM 590 N LEU A 37 -2.573 -7.088 -0.538 1.00 0.87 N ATOM 591 CA LEU A 37 -2.446 -6.498 0.796 1.00 0.94 C ATOM 592 C LEU A 37 -3.391 -5.297 0.991 1.00 0.95 C ATOM 593 O LEU A 37 -4.006 -5.181 2.054 1.00 1.00 O ATOM 594 CB LEU A 37 -0.966 -6.132 1.083 1.00 1.06 C ATOM 595 CG LEU A 37 -0.358 -6.918 2.261 1.00 1.39 C ATOM 596 CD1 LEU A 37 1.139 -6.610 2.425 1.00 1.83 C ATOM 597 CD2 LEU A 37 -1.081 -6.591 3.576 1.00 3.30 C ATOM 0 H LEU A 37 -1.699 -7.103 -1.063 1.00 0.87 H new ATOM 0 HA LEU A 37 -2.756 -7.245 1.527 1.00 0.94 H new ATOM 0 HB2 LEU A 37 -0.373 -6.318 0.187 1.00 1.06 H new ATOM 0 HB3 LEU A 37 -0.898 -5.065 1.294 1.00 1.06 H new ATOM 0 HG LEU A 37 -0.483 -7.977 2.033 1.00 1.39 H new ATOM 0 HD11 LEU A 37 1.538 -7.180 3.264 1.00 1.83 H new ATOM 0 HD12 LEU A 37 1.669 -6.886 1.514 1.00 1.83 H new ATOM 0 HD13 LEU A 37 1.273 -5.545 2.614 1.00 1.83 H new ATOM 0 HD21 LEU A 37 -0.631 -7.160 4.390 1.00 3.30 H new ATOM 0 HD22 LEU A 37 -0.991 -5.525 3.785 1.00 3.30 H new ATOM 0 HD23 LEU A 37 -2.135 -6.856 3.488 1.00 3.30 H new ATOM 609 N ILE A 38 -3.566 -4.452 -0.046 1.00 0.98 N ATOM 610 CA ILE A 38 -4.502 -3.300 -0.068 1.00 1.09 C ATOM 611 C ILE A 38 -5.973 -3.723 0.092 1.00 1.06 C ATOM 612 O ILE A 38 -6.810 -2.897 0.446 1.00 1.33 O ATOM 613 CB ILE A 38 -4.367 -2.434 -1.359 1.00 1.32 C ATOM 614 CG1 ILE A 38 -2.940 -2.206 -1.896 1.00 1.64 C ATOM 615 CG2 ILE A 38 -5.031 -1.048 -1.192 1.00 1.25 C ATOM 616 CD1 ILE A 38 -1.936 -1.609 -0.903 1.00 1.66 C ATOM 0 H ILE A 38 -3.047 -4.552 -0.918 1.00 0.98 H new ATOM 0 HA ILE A 38 -4.212 -2.698 0.793 1.00 1.09 H new ATOM 0 HB ILE A 38 -4.882 -3.049 -2.097 1.00 1.32 H new ATOM 0 HG12 ILE A 38 -2.549 -3.160 -2.248 1.00 1.64 H new ATOM 0 HG13 ILE A 38 -3.000 -1.547 -2.762 1.00 1.64 H new ATOM 0 HG21 ILE A 38 -4.915 -0.476 -2.112 1.00 1.25 H new ATOM 0 HG22 ILE A 38 -6.092 -1.176 -0.976 1.00 1.25 H new ATOM 0 HG23 ILE A 38 -4.555 -0.513 -0.370 1.00 1.25 H new ATOM 0 HD11 ILE A 38 -0.968 -1.493 -1.390 1.00 1.66 H new ATOM 0 HD12 ILE A 38 -2.292 -0.635 -0.567 1.00 1.66 H new ATOM 0 HD13 ILE A 38 -1.834 -2.274 -0.045 1.00 1.66 H new ATOM 628 N LYS A 39 -6.307 -4.981 -0.198 1.00 0.97 N ATOM 629 CA LYS A 39 -7.618 -5.565 0.050 1.00 1.09 C ATOM 630 C LYS A 39 -7.677 -6.557 1.228 1.00 1.07 C ATOM 631 O LYS A 39 -8.779 -6.793 1.729 1.00 1.35 O ATOM 632 CB LYS A 39 -8.054 -6.239 -1.257 1.00 1.20 C ATOM 633 CG LYS A 39 -8.681 -5.283 -2.291 1.00 1.29 C ATOM 634 CD LYS A 39 -9.896 -4.470 -1.801 1.00 2.03 C ATOM 635 CE LYS A 39 -10.926 -5.320 -1.047 1.00 3.19 C ATOM 636 NZ LYS A 39 -12.198 -4.591 -0.841 1.00 3.76 N ATOM 0 H LYS A 39 -5.652 -5.637 -0.624 1.00 0.97 H new ATOM 0 HA LYS A 39 -8.295 -4.766 0.352 1.00 1.09 H new ATOM 0 HB2 LYS A 39 -7.188 -6.724 -1.708 1.00 1.20 H new ATOM 0 HB3 LYS A 39 -8.773 -7.024 -1.024 1.00 1.20 H new ATOM 0 HG2 LYS A 39 -7.913 -4.586 -2.627 1.00 1.29 H new ATOM 0 HG3 LYS A 39 -8.984 -5.866 -3.160 1.00 1.29 H new ATOM 0 HD2 LYS A 39 -9.550 -3.668 -1.150 1.00 2.03 H new ATOM 0 HD3 LYS A 39 -10.379 -3.999 -2.657 1.00 2.03 H new ATOM 0 HE2 LYS A 39 -11.119 -6.236 -1.605 1.00 3.19 H new ATOM 0 HE3 LYS A 39 -10.516 -5.615 -0.081 1.00 3.19 H new ATOM 0 HZ1 LYS A 39 -12.775 -5.092 -0.136 1.00 3.76 H new ATOM 0 HZ2 LYS A 39 -11.996 -3.629 -0.502 1.00 3.76 H new ATOM 0 HZ3 LYS A 39 -12.718 -4.539 -1.740 1.00 3.76 H new ATOM 650 N LYS A 40 -6.559 -7.137 1.688 1.00 0.89 N ATOM 651 CA LYS A 40 -6.518 -7.955 2.904 1.00 1.01 C ATOM 652 C LYS A 40 -6.553 -7.087 4.163 1.00 1.00 C ATOM 653 O LYS A 40 -7.402 -7.290 5.025 1.00 1.19 O ATOM 654 CB LYS A 40 -5.261 -8.841 2.970 1.00 1.12 C ATOM 655 CG LYS A 40 -5.090 -9.945 1.931 1.00 1.53 C ATOM 656 CD LYS A 40 -6.368 -10.642 1.461 1.00 1.20 C ATOM 657 CE LYS A 40 -5.959 -11.969 0.806 1.00 1.92 C ATOM 658 NZ LYS A 40 -7.012 -12.510 -0.082 1.00 2.15 N ATOM 0 H LYS A 40 -5.655 -7.050 1.223 1.00 0.89 H new ATOM 0 HA LYS A 40 -7.403 -8.590 2.862 1.00 1.01 H new ATOM 0 HB2 LYS A 40 -4.391 -8.187 2.904 1.00 1.12 H new ATOM 0 HB3 LYS A 40 -5.236 -9.307 3.955 1.00 1.12 H new ATOM 0 HG2 LYS A 40 -4.593 -9.519 1.059 1.00 1.53 H new ATOM 0 HG3 LYS A 40 -4.421 -10.700 2.343 1.00 1.53 H new ATOM 0 HD2 LYS A 40 -7.038 -10.821 2.302 1.00 1.20 H new ATOM 0 HD3 LYS A 40 -6.907 -10.015 0.751 1.00 1.20 H new ATOM 0 HE2 LYS A 40 -5.045 -11.820 0.232 1.00 1.92 H new ATOM 0 HE3 LYS A 40 -5.732 -12.699 1.583 1.00 1.92 H new ATOM 0 HZ1 LYS A 40 -6.772 -13.485 -0.351 1.00 2.15 H new ATOM 0 HZ2 LYS A 40 -7.924 -12.504 0.417 1.00 2.15 H new ATOM 0 HZ3 LYS A 40 -7.081 -11.922 -0.937 1.00 2.15 H new ATOM 672 N GLU A 41 -5.569 -6.192 4.294 1.00 0.93 N ATOM 673 CA GLU A 41 -5.192 -5.558 5.571 1.00 1.07 C ATOM 674 C GLU A 41 -5.142 -4.030 5.502 1.00 1.34 C ATOM 675 O GLU A 41 -5.060 -3.374 6.545 1.00 1.77 O ATOM 676 CB GLU A 41 -3.878 -6.137 6.124 1.00 1.49 C ATOM 677 CG GLU A 41 -3.906 -7.671 6.076 1.00 2.64 C ATOM 678 CD GLU A 41 -3.052 -8.401 7.097 1.00 3.80 C ATOM 679 OE1 GLU A 41 -2.656 -7.852 8.145 1.00 4.34 O ATOM 680 OE2 GLU A 41 -2.820 -9.611 6.883 1.00 4.93 O ATOM 0 H GLU A 41 -5.001 -5.880 3.507 1.00 0.93 H new ATOM 0 HA GLU A 41 -5.992 -5.802 6.270 1.00 1.07 H new ATOM 0 HB2 GLU A 41 -3.036 -5.764 5.542 1.00 1.49 H new ATOM 0 HB3 GLU A 41 -3.729 -5.802 7.150 1.00 1.49 H new ATOM 0 HG2 GLU A 41 -4.939 -7.996 6.201 1.00 2.64 H new ATOM 0 HG3 GLU A 41 -3.591 -7.986 5.081 1.00 2.64 H new ATOM 687 N LEU A 42 -5.345 -3.463 4.307 1.00 1.31 N ATOM 688 CA LEU A 42 -6.297 -2.368 4.163 1.00 1.22 C ATOM 689 C LEU A 42 -7.624 -2.931 3.629 1.00 1.31 C ATOM 690 O LEU A 42 -7.627 -3.974 2.979 1.00 1.80 O ATOM 691 CB LEU A 42 -5.704 -1.234 3.300 1.00 1.14 C ATOM 692 CG LEU A 42 -5.593 0.087 4.089 1.00 1.19 C ATOM 693 CD1 LEU A 42 -4.767 1.105 3.297 1.00 1.78 C ATOM 694 CD2 LEU A 42 -6.971 0.691 4.404 1.00 1.68 C ATOM 0 H LEU A 42 -4.872 -3.740 3.447 1.00 1.31 H new ATOM 0 HA LEU A 42 -6.505 -1.910 5.130 1.00 1.22 H new ATOM 0 HB2 LEU A 42 -4.717 -1.528 2.942 1.00 1.14 H new ATOM 0 HB3 LEU A 42 -6.330 -1.081 2.421 1.00 1.14 H new ATOM 0 HG LEU A 42 -5.101 -0.144 5.034 1.00 1.19 H new ATOM 0 HD11 LEU A 42 -4.695 2.034 3.863 1.00 1.78 H new ATOM 0 HD12 LEU A 42 -3.767 0.707 3.124 1.00 1.78 H new ATOM 0 HD13 LEU A 42 -5.250 1.300 2.340 1.00 1.78 H new ATOM 0 HD21 LEU A 42 -6.843 1.620 4.960 1.00 1.68 H new ATOM 0 HD22 LEU A 42 -7.500 0.896 3.473 1.00 1.68 H new ATOM 0 HD23 LEU A 42 -7.549 -0.013 5.002 1.00 1.68 H new ATOM 706 N CYS A 43 -8.731 -2.247 3.941 1.00 1.32 N ATOM 707 CA CYS A 43 -10.116 -2.472 3.500 1.00 1.48 C ATOM 708 C CYS A 43 -11.038 -1.549 4.314 1.00 2.46 C ATOM 709 O CYS A 43 -11.062 -1.643 5.538 1.00 3.94 O ATOM 710 CB CYS A 43 -10.554 -3.948 3.645 1.00 2.28 C ATOM 711 SG CYS A 43 -12.125 -4.188 2.770 1.00 2.66 S ATOM 0 H CYS A 43 -8.676 -1.445 4.569 1.00 1.32 H new ATOM 0 HA CYS A 43 -10.184 -2.240 2.437 1.00 1.48 H new ATOM 0 HB2 CYS A 43 -9.790 -4.609 3.235 1.00 2.28 H new ATOM 0 HB3 CYS A 43 -10.667 -4.205 4.698 1.00 2.28 H new ATOM 0 HG CYS A 43 -12.500 -5.427 2.884 1.00 2.66 H new ATOM 717 N LEU A 44 -11.777 -0.650 3.657 1.00 2.54 N ATOM 718 CA LEU A 44 -12.620 0.362 4.308 1.00 3.91 C ATOM 719 C LEU A 44 -13.818 0.794 3.444 1.00 4.37 C ATOM 720 O LEU A 44 -14.517 1.737 3.789 1.00 5.56 O ATOM 721 CB LEU A 44 -11.740 1.568 4.728 1.00 4.77 C ATOM 722 CG LEU A 44 -11.299 2.547 3.615 1.00 3.75 C ATOM 723 CD1 LEU A 44 -10.416 3.636 4.238 1.00 4.69 C ATOM 724 CD2 LEU A 44 -10.532 1.873 2.464 1.00 3.34 C ATOM 0 H LEU A 44 -11.808 -0.603 2.639 1.00 2.54 H new ATOM 0 HA LEU A 44 -13.060 -0.087 5.199 1.00 3.91 H new ATOM 0 HB2 LEU A 44 -12.285 2.137 5.481 1.00 4.77 H new ATOM 0 HB3 LEU A 44 -10.843 1.179 5.210 1.00 4.77 H new ATOM 0 HG LEU A 44 -12.208 2.963 3.180 1.00 3.75 H new ATOM 0 HD11 LEU A 44 -10.098 4.334 3.463 1.00 4.69 H new ATOM 0 HD12 LEU A 44 -10.983 4.173 4.999 1.00 4.69 H new ATOM 0 HD13 LEU A 44 -9.539 3.177 4.695 1.00 4.69 H new ATOM 0 HD21 LEU A 44 -10.256 2.623 1.722 1.00 3.34 H new ATOM 0 HD22 LEU A 44 -9.631 1.400 2.855 1.00 3.34 H new ATOM 0 HD23 LEU A 44 -11.165 1.118 1.998 1.00 3.34 H new ATOM 736 N GLY A 45 -14.001 0.133 2.295 1.00 3.67 N ATOM 737 CA GLY A 45 -14.711 0.674 1.143 1.00 3.99 C ATOM 738 C GLY A 45 -13.726 1.339 0.184 1.00 3.48 C ATOM 739 O GLY A 45 -13.224 2.430 0.434 1.00 5.07 O ATOM 0 H GLY A 45 -13.650 -0.813 2.143 1.00 3.67 H new ATOM 0 HA2 GLY A 45 -15.248 -0.124 0.630 1.00 3.99 H new ATOM 0 HA3 GLY A 45 -15.455 1.399 1.472 1.00 3.99 H new ATOM 742 N GLU A 46 -13.474 0.690 -0.942 1.00 2.78 N ATOM 743 CA GLU A 46 -12.828 1.237 -2.139 1.00 4.15 C ATOM 744 C GLU A 46 -13.728 2.294 -2.818 1.00 3.78 C ATOM 745 O GLU A 46 -14.259 2.104 -3.903 1.00 4.79 O ATOM 746 CB GLU A 46 -12.429 0.087 -3.086 1.00 5.72 C ATOM 747 CG GLU A 46 -13.546 -0.958 -3.273 1.00 5.76 C ATOM 748 CD GLU A 46 -13.361 -2.186 -2.374 1.00 5.52 C ATOM 749 OE1 GLU A 46 -13.135 -2.033 -1.147 1.00 5.28 O ATOM 750 OE2 GLU A 46 -13.404 -3.322 -2.881 1.00 6.24 O ATOM 0 H GLU A 46 -13.728 -0.291 -1.058 1.00 2.78 H new ATOM 0 HA GLU A 46 -11.913 1.757 -1.855 1.00 4.15 H new ATOM 0 HB2 GLU A 46 -12.161 0.501 -4.058 1.00 5.72 H new ATOM 0 HB3 GLU A 46 -11.540 -0.407 -2.694 1.00 5.72 H new ATOM 0 HG2 GLU A 46 -14.510 -0.497 -3.058 1.00 5.76 H new ATOM 0 HG3 GLU A 46 -13.570 -1.276 -4.315 1.00 5.76 H new ATOM 757 N MET A 47 -13.937 3.412 -2.124 1.00 2.83 N ATOM 758 CA MET A 47 -14.857 4.513 -2.481 1.00 2.84 C ATOM 759 C MET A 47 -14.474 5.300 -3.743 1.00 2.81 C ATOM 760 O MET A 47 -15.203 6.199 -4.175 1.00 3.32 O ATOM 761 CB MET A 47 -14.949 5.460 -1.282 1.00 3.22 C ATOM 762 CG MET A 47 -15.735 4.792 -0.156 1.00 3.41 C ATOM 763 SD MET A 47 -15.690 5.707 1.397 1.00 3.78 S ATOM 764 CE MET A 47 -14.226 4.899 2.088 1.00 3.06 C ATOM 0 H MET A 47 -13.446 3.592 -1.248 1.00 2.83 H new ATOM 0 HA MET A 47 -15.817 4.056 -2.721 1.00 2.84 H new ATOM 0 HB2 MET A 47 -13.949 5.721 -0.935 1.00 3.22 H new ATOM 0 HB3 MET A 47 -15.437 6.389 -1.577 1.00 3.22 H new ATOM 0 HG2 MET A 47 -16.773 4.674 -0.469 1.00 3.41 H new ATOM 0 HG3 MET A 47 -15.336 3.791 0.010 1.00 3.41 H new ATOM 0 HE1 MET A 47 -13.987 5.343 3.054 1.00 3.06 H new ATOM 0 HE2 MET A 47 -14.424 3.835 2.217 1.00 3.06 H new ATOM 0 HE3 MET A 47 -13.383 5.032 1.410 1.00 3.06 H new ATOM 774 N LYS A 48 -13.297 5.033 -4.303 1.00 2.73 N ATOM 775 CA LYS A 48 -12.777 5.675 -5.498 1.00 2.78 C ATOM 776 C LYS A 48 -12.570 4.718 -6.684 1.00 3.02 C ATOM 777 O LYS A 48 -12.208 3.557 -6.520 1.00 3.35 O ATOM 778 CB LYS A 48 -11.474 6.398 -5.143 1.00 2.90 C ATOM 779 CG LYS A 48 -11.548 7.439 -4.010 1.00 2.89 C ATOM 780 CD LYS A 48 -12.722 8.439 -3.979 1.00 3.81 C ATOM 781 CE LYS A 48 -13.141 8.967 -5.360 1.00 5.28 C ATOM 782 NZ LYS A 48 -14.573 8.693 -5.640 1.00 6.27 N ATOM 0 H LYS A 48 -12.658 4.337 -3.919 1.00 2.73 H new ATOM 0 HA LYS A 48 -13.530 6.386 -5.838 1.00 2.78 H new ATOM 0 HB2 LYS A 48 -10.732 5.648 -4.868 1.00 2.90 H new ATOM 0 HB3 LYS A 48 -11.106 6.896 -6.040 1.00 2.90 H new ATOM 0 HG2 LYS A 48 -11.556 6.895 -3.065 1.00 2.89 H new ATOM 0 HG3 LYS A 48 -10.625 8.018 -4.037 1.00 2.89 H new ATOM 0 HD2 LYS A 48 -13.581 7.958 -3.511 1.00 3.81 H new ATOM 0 HD3 LYS A 48 -12.447 9.284 -3.348 1.00 3.81 H new ATOM 0 HE2 LYS A 48 -12.959 10.041 -5.410 1.00 5.28 H new ATOM 0 HE3 LYS A 48 -12.524 8.503 -6.130 1.00 5.28 H new ATOM 0 HZ1 LYS A 48 -14.713 8.592 -6.666 1.00 6.27 H new ATOM 0 HZ2 LYS A 48 -14.858 7.814 -5.163 1.00 6.27 H new ATOM 0 HZ3 LYS A 48 -15.153 9.481 -5.288 1.00 6.27 H new ATOM 796 N GLU A 49 -12.777 5.285 -7.869 1.00 3.29 N ATOM 797 CA GLU A 49 -12.534 4.737 -9.198 1.00 3.67 C ATOM 798 C GLU A 49 -11.267 5.381 -9.784 1.00 3.36 C ATOM 799 O GLU A 49 -10.220 4.751 -9.839 1.00 3.80 O ATOM 800 CB GLU A 49 -13.766 4.934 -10.123 1.00 4.48 C ATOM 801 CG GLU A 49 -14.855 5.956 -9.711 1.00 4.86 C ATOM 802 CD GLU A 49 -14.311 7.324 -9.290 1.00 5.12 C ATOM 803 OE1 GLU A 49 -13.732 8.033 -10.134 1.00 6.10 O ATOM 804 OE2 GLU A 49 -14.330 7.599 -8.066 1.00 5.02 O ATOM 0 H GLU A 49 -13.155 6.230 -7.927 1.00 3.29 H new ATOM 0 HA GLU A 49 -12.376 3.661 -9.122 1.00 3.67 H new ATOM 0 HB2 GLU A 49 -13.397 5.224 -11.107 1.00 4.48 H new ATOM 0 HB3 GLU A 49 -14.250 3.964 -10.238 1.00 4.48 H new ATOM 0 HG2 GLU A 49 -15.542 6.093 -10.546 1.00 4.86 H new ATOM 0 HG3 GLU A 49 -15.434 5.539 -8.887 1.00 4.86 H new ATOM 811 N SER A 50 -11.320 6.651 -10.194 1.00 3.29 N ATOM 812 CA SER A 50 -10.212 7.319 -10.871 1.00 3.56 C ATOM 813 C SER A 50 -8.908 7.345 -10.050 1.00 2.99 C ATOM 814 O SER A 50 -8.901 7.462 -8.821 1.00 3.14 O ATOM 815 CB SER A 50 -10.636 8.739 -11.259 1.00 4.17 C ATOM 816 OG SER A 50 -9.618 9.387 -12.005 1.00 5.74 O ATOM 0 H SER A 50 -12.138 7.246 -10.064 1.00 3.29 H new ATOM 0 HA SER A 50 -9.985 6.735 -11.763 1.00 3.56 H new ATOM 0 HB2 SER A 50 -11.554 8.701 -11.846 1.00 4.17 H new ATOM 0 HB3 SER A 50 -10.856 9.315 -10.360 1.00 4.17 H new ATOM 0 HG SER A 50 -9.912 10.291 -12.243 1.00 5.74 H new ATOM 822 N SER A 51 -7.782 7.250 -10.761 1.00 3.18 N ATOM 823 CA SER A 51 -6.403 7.210 -10.247 1.00 2.94 C ATOM 824 C SER A 51 -6.078 5.883 -9.566 1.00 2.41 C ATOM 825 O SER A 51 -5.076 5.275 -9.920 1.00 2.47 O ATOM 826 CB SER A 51 -6.084 8.387 -9.309 1.00 3.23 C ATOM 827 OG SER A 51 -6.477 9.614 -9.897 1.00 3.79 O ATOM 0 H SER A 51 -7.807 7.195 -11.779 1.00 3.18 H new ATOM 0 HA SER A 51 -5.762 7.306 -11.124 1.00 2.94 H new ATOM 0 HB2 SER A 51 -6.600 8.251 -8.358 1.00 3.23 H new ATOM 0 HB3 SER A 51 -5.016 8.407 -9.092 1.00 3.23 H new ATOM 0 HG SER A 51 -6.268 10.351 -9.286 1.00 3.79 H new ATOM 833 N ILE A 52 -6.912 5.381 -8.645 1.00 2.17 N ATOM 834 CA ILE A 52 -6.737 4.015 -8.127 1.00 1.81 C ATOM 835 C ILE A 52 -6.909 2.964 -9.233 1.00 1.75 C ATOM 836 O ILE A 52 -6.138 2.010 -9.220 1.00 1.71 O ATOM 837 CB ILE A 52 -7.567 3.734 -6.847 1.00 1.94 C ATOM 838 CG1 ILE A 52 -7.396 2.255 -6.412 1.00 2.41 C ATOM 839 CG2 ILE A 52 -9.049 4.109 -6.974 1.00 2.64 C ATOM 840 CD1 ILE A 52 -8.092 1.857 -5.108 1.00 2.30 C ATOM 0 H ILE A 52 -7.702 5.889 -8.248 1.00 2.17 H new ATOM 0 HA ILE A 52 -5.703 3.930 -7.793 1.00 1.81 H new ATOM 0 HB ILE A 52 -7.170 4.387 -6.070 1.00 1.94 H new ATOM 0 HG12 ILE A 52 -7.771 1.616 -7.211 1.00 2.41 H new ATOM 0 HG13 ILE A 52 -6.331 2.047 -6.311 1.00 2.41 H new ATOM 0 HG21 ILE A 52 -9.563 3.883 -6.040 1.00 2.64 H new ATOM 0 HG22 ILE A 52 -9.138 5.174 -7.189 1.00 2.64 H new ATOM 0 HG23 ILE A 52 -9.501 3.537 -7.784 1.00 2.64 H new ATOM 0 HD11 ILE A 52 -7.905 0.803 -4.903 1.00 2.30 H new ATOM 0 HD12 ILE A 52 -7.703 2.461 -4.289 1.00 2.30 H new ATOM 0 HD13 ILE A 52 -9.165 2.023 -5.203 1.00 2.30 H new ATOM 852 N ASP A 53 -7.831 3.153 -10.182 1.00 1.94 N ATOM 853 CA ASP A 53 -8.012 2.278 -11.350 1.00 2.18 C ATOM 854 C ASP A 53 -6.706 2.074 -12.138 1.00 1.82 C ATOM 855 O ASP A 53 -6.250 0.938 -12.223 1.00 1.55 O ATOM 856 CB ASP A 53 -9.138 2.817 -12.251 1.00 3.04 C ATOM 857 CG ASP A 53 -9.426 1.917 -13.462 1.00 4.01 C ATOM 858 OD1 ASP A 53 -9.571 0.687 -13.259 1.00 3.85 O ATOM 859 OD2 ASP A 53 -9.519 2.467 -14.582 1.00 5.35 O ATOM 0 H ASP A 53 -8.487 3.934 -10.162 1.00 1.94 H new ATOM 0 HA ASP A 53 -8.303 1.294 -10.983 1.00 2.18 H new ATOM 0 HB2 ASP A 53 -10.048 2.923 -11.660 1.00 3.04 H new ATOM 0 HB3 ASP A 53 -8.868 3.813 -12.602 1.00 3.04 H new ATOM 864 N ASP A 54 -6.056 3.138 -12.647 1.00 1.95 N ATOM 865 CA ASP A 54 -4.769 2.997 -13.358 1.00 1.85 C ATOM 866 C ASP A 54 -3.690 2.435 -12.434 1.00 1.42 C ATOM 867 O ASP A 54 -2.992 1.513 -12.838 1.00 1.24 O ATOM 868 CB ASP A 54 -4.261 4.298 -14.017 1.00 2.37 C ATOM 869 CG ASP A 54 -3.120 4.039 -15.040 1.00 2.59 C ATOM 870 OD1 ASP A 54 -2.122 3.347 -14.712 1.00 3.04 O ATOM 871 OD2 ASP A 54 -3.240 4.521 -16.186 1.00 3.20 O ATOM 0 H ASP A 54 -6.397 4.097 -12.581 1.00 1.95 H new ATOM 0 HA ASP A 54 -4.970 2.296 -14.168 1.00 1.85 H new ATOM 0 HB2 ASP A 54 -5.090 4.795 -14.520 1.00 2.37 H new ATOM 0 HB3 ASP A 54 -3.904 4.978 -13.244 1.00 2.37 H new ATOM 876 N LEU A 55 -3.555 2.907 -11.189 1.00 1.38 N ATOM 877 CA LEU A 55 -2.509 2.420 -10.281 1.00 1.15 C ATOM 878 C LEU A 55 -2.652 0.916 -10.045 1.00 1.00 C ATOM 879 O LEU A 55 -1.681 0.168 -10.175 1.00 0.93 O ATOM 880 CB LEU A 55 -2.555 3.224 -8.974 1.00 1.15 C ATOM 881 CG LEU A 55 -2.156 4.691 -9.180 1.00 1.54 C ATOM 882 CD1 LEU A 55 -2.534 5.494 -7.932 1.00 1.59 C ATOM 883 CD2 LEU A 55 -0.657 4.847 -9.488 1.00 1.68 C ATOM 0 H LEU A 55 -4.157 3.626 -10.787 1.00 1.38 H new ATOM 0 HA LEU A 55 -1.529 2.570 -10.735 1.00 1.15 H new ATOM 0 HB2 LEU A 55 -3.561 3.178 -8.557 1.00 1.15 H new ATOM 0 HB3 LEU A 55 -1.886 2.767 -8.245 1.00 1.15 H new ATOM 0 HG LEU A 55 -2.697 5.073 -10.046 1.00 1.54 H new ATOM 0 HD11 LEU A 55 -2.253 6.538 -8.072 1.00 1.59 H new ATOM 0 HD12 LEU A 55 -3.609 5.427 -7.768 1.00 1.59 H new ATOM 0 HD13 LEU A 55 -2.009 5.090 -7.066 1.00 1.59 H new ATOM 0 HD21 LEU A 55 -0.422 5.902 -9.626 1.00 1.68 H new ATOM 0 HD22 LEU A 55 -0.072 4.450 -8.658 1.00 1.68 H new ATOM 0 HD23 LEU A 55 -0.414 4.299 -10.398 1.00 1.68 H new ATOM 895 N MET A 56 -3.874 0.450 -9.804 1.00 1.09 N ATOM 896 CA MET A 56 -4.204 -0.979 -9.729 1.00 1.13 C ATOM 897 C MET A 56 -4.028 -1.700 -11.070 1.00 1.14 C ATOM 898 O MET A 56 -3.567 -2.845 -11.075 1.00 1.24 O ATOM 899 CB MET A 56 -5.625 -1.171 -9.180 1.00 1.29 C ATOM 900 CG MET A 56 -5.694 -0.837 -7.697 1.00 1.33 C ATOM 901 SD MET A 56 -4.792 -2.001 -6.647 1.00 1.75 S ATOM 902 CE MET A 56 -5.862 -1.819 -5.215 1.00 1.83 C ATOM 0 H MET A 56 -4.678 1.059 -9.652 1.00 1.09 H new ATOM 0 HA MET A 56 -3.494 -1.437 -9.040 1.00 1.13 H new ATOM 0 HB2 MET A 56 -6.319 -0.536 -9.731 1.00 1.29 H new ATOM 0 HB3 MET A 56 -5.942 -2.202 -9.338 1.00 1.29 H new ATOM 0 HG2 MET A 56 -5.294 0.165 -7.540 1.00 1.33 H new ATOM 0 HG3 MET A 56 -6.739 -0.816 -7.387 1.00 1.33 H new ATOM 0 HE1 MET A 56 -5.502 -2.457 -4.408 1.00 1.83 H new ATOM 0 HE2 MET A 56 -5.856 -0.780 -4.886 1.00 1.83 H new ATOM 0 HE3 MET A 56 -6.878 -2.109 -5.481 1.00 1.83 H new ATOM 912 N LYS A 57 -4.312 -1.066 -12.209 1.00 1.18 N ATOM 913 CA LYS A 57 -4.010 -1.588 -13.552 1.00 1.23 C ATOM 914 C LYS A 57 -2.514 -1.600 -13.915 1.00 1.15 C ATOM 915 O LYS A 57 -2.063 -2.317 -14.806 1.00 1.30 O ATOM 916 CB LYS A 57 -4.814 -0.820 -14.621 1.00 1.51 C ATOM 917 CG LYS A 57 -6.077 -1.585 -15.017 1.00 1.64 C ATOM 918 CD LYS A 57 -5.673 -2.844 -15.801 1.00 2.52 C ATOM 919 CE LYS A 57 -6.881 -3.785 -15.942 1.00 3.25 C ATOM 920 NZ LYS A 57 -6.470 -5.158 -16.327 1.00 4.72 N ATOM 0 H LYS A 57 -4.769 -0.154 -12.229 1.00 1.18 H new ATOM 0 HA LYS A 57 -4.314 -2.635 -13.531 1.00 1.23 H new ATOM 0 HB2 LYS A 57 -5.086 0.164 -14.238 1.00 1.51 H new ATOM 0 HB3 LYS A 57 -4.192 -0.659 -15.502 1.00 1.51 H new ATOM 0 HG2 LYS A 57 -6.645 -1.861 -14.128 1.00 1.64 H new ATOM 0 HG3 LYS A 57 -6.724 -0.954 -15.626 1.00 1.64 H new ATOM 0 HD2 LYS A 57 -5.302 -2.565 -16.787 1.00 2.52 H new ATOM 0 HD3 LYS A 57 -4.860 -3.357 -15.288 1.00 2.52 H new ATOM 0 HE2 LYS A 57 -7.426 -3.820 -14.999 1.00 3.25 H new ATOM 0 HE3 LYS A 57 -7.566 -3.387 -16.691 1.00 3.25 H new ATOM 0 HZ1 LYS A 57 -7.260 -5.815 -16.167 1.00 4.72 H new ATOM 0 HZ2 LYS A 57 -6.206 -5.172 -17.333 1.00 4.72 H new ATOM 0 HZ3 LYS A 57 -5.655 -5.451 -15.751 1.00 4.72 H new ATOM 934 N SER A 58 -1.751 -0.795 -13.210 1.00 1.06 N ATOM 935 CA SER A 58 -0.304 -0.592 -13.291 1.00 1.13 C ATOM 936 C SER A 58 0.489 -1.541 -12.385 1.00 1.09 C ATOM 937 O SER A 58 1.578 -1.963 -12.772 1.00 1.32 O ATOM 938 CB SER A 58 0.056 0.887 -13.101 1.00 1.24 C ATOM 939 OG SER A 58 -0.208 1.553 -14.327 1.00 1.79 O ATOM 0 H SER A 58 -2.162 -0.201 -12.489 1.00 1.06 H new ATOM 0 HA SER A 58 0.006 -0.862 -14.300 1.00 1.13 H new ATOM 0 HB2 SER A 58 -0.532 1.324 -12.294 1.00 1.24 H new ATOM 0 HB3 SER A 58 1.105 0.994 -12.825 1.00 1.24 H new ATOM 0 HG SER A 58 -0.965 2.164 -14.211 1.00 1.79 H new ATOM 945 N LEU A 59 -0.091 -2.003 -11.269 1.00 0.98 N ATOM 946 CA LEU A 59 0.341 -3.236 -10.595 1.00 1.12 C ATOM 947 C LEU A 59 0.024 -4.470 -11.449 1.00 1.22 C ATOM 948 O LEU A 59 0.758 -5.448 -11.416 1.00 1.54 O ATOM 949 CB LEU A 59 -0.346 -3.351 -9.217 1.00 1.21 C ATOM 950 CG LEU A 59 -0.029 -2.228 -8.210 1.00 1.16 C ATOM 951 CD1 LEU A 59 -0.695 -2.545 -6.865 1.00 1.36 C ATOM 952 CD2 LEU A 59 1.475 -2.035 -8.005 1.00 1.33 C ATOM 0 H LEU A 59 -0.871 -1.534 -10.809 1.00 0.98 H new ATOM 0 HA LEU A 59 1.421 -3.190 -10.455 1.00 1.12 H new ATOM 0 HB2 LEU A 59 -1.425 -3.380 -9.372 1.00 1.21 H new ATOM 0 HB3 LEU A 59 -0.063 -4.304 -8.770 1.00 1.21 H new ATOM 0 HG LEU A 59 -0.423 -1.298 -8.621 1.00 1.16 H new ATOM 0 HD11 LEU A 59 -0.471 -1.751 -6.152 1.00 1.36 H new ATOM 0 HD12 LEU A 59 -1.774 -2.617 -7.001 1.00 1.36 H new ATOM 0 HD13 LEU A 59 -0.314 -3.492 -6.484 1.00 1.36 H new ATOM 0 HD21 LEU A 59 1.644 -1.233 -7.287 1.00 1.33 H new ATOM 0 HD22 LEU A 59 1.912 -2.959 -7.627 1.00 1.33 H new ATOM 0 HD23 LEU A 59 1.941 -1.776 -8.955 1.00 1.33 H new ATOM 964 N ASP A 60 -1.063 -4.432 -12.214 1.00 1.21 N ATOM 965 CA ASP A 60 -1.471 -5.476 -13.168 1.00 1.35 C ATOM 966 C ASP A 60 -0.508 -5.601 -14.367 1.00 1.20 C ATOM 967 O ASP A 60 -0.348 -6.683 -14.920 1.00 1.35 O ATOM 968 CB ASP A 60 -2.871 -5.097 -13.683 1.00 1.74 C ATOM 969 CG ASP A 60 -3.941 -6.182 -13.604 1.00 2.26 C ATOM 970 OD1 ASP A 60 -4.111 -6.710 -12.481 1.00 2.56 O ATOM 971 OD2 ASP A 60 -4.706 -6.325 -14.590 1.00 3.50 O ATOM 0 H ASP A 60 -1.713 -3.646 -12.191 1.00 1.21 H new ATOM 0 HA ASP A 60 -1.462 -6.439 -12.658 1.00 1.35 H new ATOM 0 HB2 ASP A 60 -3.220 -4.232 -13.119 1.00 1.74 H new ATOM 0 HB3 ASP A 60 -2.779 -4.783 -14.723 1.00 1.74 H new ATOM 976 N LYS A 61 0.138 -4.496 -14.756 1.00 1.17 N ATOM 977 CA LYS A 61 0.856 -4.314 -16.034 1.00 1.27 C ATOM 978 C LYS A 61 2.009 -5.309 -16.266 1.00 1.27 C ATOM 979 O LYS A 61 2.368 -5.575 -17.409 1.00 1.48 O ATOM 980 CB LYS A 61 1.385 -2.863 -16.059 1.00 1.40 C ATOM 981 CG LYS A 61 1.463 -2.175 -17.435 1.00 1.81 C ATOM 982 CD LYS A 61 0.110 -1.685 -17.996 1.00 1.97 C ATOM 983 CE LYS A 61 -0.648 -0.654 -17.132 1.00 2.68 C ATOM 984 NZ LYS A 61 0.044 0.654 -16.993 1.00 3.58 N ATOM 0 H LYS A 61 0.180 -3.665 -14.167 1.00 1.17 H new ATOM 0 HA LYS A 61 0.154 -4.512 -16.844 1.00 1.27 H new ATOM 0 HB2 LYS A 61 0.749 -2.258 -15.413 1.00 1.40 H new ATOM 0 HB3 LYS A 61 2.383 -2.858 -15.620 1.00 1.40 H new ATOM 0 HG2 LYS A 61 2.139 -1.323 -17.361 1.00 1.81 H new ATOM 0 HG3 LYS A 61 1.905 -2.871 -18.148 1.00 1.81 H new ATOM 0 HD2 LYS A 61 0.284 -1.248 -18.979 1.00 1.97 H new ATOM 0 HD3 LYS A 61 -0.535 -2.551 -18.142 1.00 1.97 H new ATOM 0 HE2 LYS A 61 -1.633 -0.486 -17.568 1.00 2.68 H new ATOM 0 HE3 LYS A 61 -0.806 -1.075 -16.139 1.00 2.68 H new ATOM 0 HZ1 LYS A 61 -0.045 0.991 -16.013 1.00 3.58 H new ATOM 0 HZ2 LYS A 61 1.050 0.541 -17.230 1.00 3.58 H new ATOM 0 HZ3 LYS A 61 -0.389 1.346 -17.638 1.00 3.58 H new ATOM 998 N ASN A 62 2.568 -5.854 -15.184 1.00 1.25 N ATOM 999 CA ASN A 62 3.723 -6.758 -15.154 1.00 1.41 C ATOM 1000 C ASN A 62 3.848 -7.396 -13.752 1.00 1.37 C ATOM 1001 O ASN A 62 4.811 -7.198 -13.015 1.00 2.45 O ATOM 1002 CB ASN A 62 4.992 -6.034 -15.659 1.00 1.78 C ATOM 1003 CG ASN A 62 5.196 -4.640 -15.067 1.00 2.03 C ATOM 1004 OD1 ASN A 62 4.964 -3.632 -15.717 1.00 2.33 O ATOM 1005 ND2 ASN A 62 5.582 -4.533 -13.814 1.00 3.62 N ATOM 0 H ASN A 62 2.206 -5.666 -14.249 1.00 1.25 H new ATOM 0 HA ASN A 62 3.582 -7.588 -15.846 1.00 1.41 H new ATOM 0 HB2 ASN A 62 5.863 -6.646 -15.426 1.00 1.78 H new ATOM 0 HB3 ASN A 62 4.942 -5.952 -16.745 1.00 1.78 H new ATOM 0 HD21 ASN A 62 5.686 -3.611 -13.389 1.00 3.62 H new ATOM 0 HD22 ASN A 62 5.777 -5.372 -13.267 1.00 3.62 H new ATOM 1012 N SER A 63 2.789 -8.092 -13.341 1.00 1.33 N ATOM 1013 CA SER A 63 2.392 -8.205 -11.926 1.00 1.19 C ATOM 1014 C SER A 63 3.253 -9.110 -11.015 1.00 1.24 C ATOM 1015 O SER A 63 3.122 -9.079 -9.790 1.00 1.48 O ATOM 1016 CB SER A 63 0.917 -8.638 -11.855 1.00 1.77 C ATOM 1017 OG SER A 63 0.241 -7.965 -10.812 1.00 3.09 O ATOM 0 H SER A 63 2.175 -8.598 -13.979 1.00 1.33 H new ATOM 0 HA SER A 63 2.559 -7.209 -11.517 1.00 1.19 H new ATOM 0 HB2 SER A 63 0.427 -8.428 -12.806 1.00 1.77 H new ATOM 0 HB3 SER A 63 0.858 -9.715 -11.696 1.00 1.77 H new ATOM 0 HG SER A 63 0.149 -7.016 -11.040 1.00 3.09 H new ATOM 1023 N ASP A 64 4.158 -9.895 -11.594 1.00 1.24 N ATOM 1024 CA ASP A 64 4.867 -10.996 -10.921 1.00 1.50 C ATOM 1025 C ASP A 64 6.373 -10.712 -10.813 1.00 1.35 C ATOM 1026 O ASP A 64 7.136 -11.480 -10.231 1.00 2.00 O ATOM 1027 CB ASP A 64 4.565 -12.298 -11.671 1.00 1.96 C ATOM 1028 CG ASP A 64 3.146 -12.779 -11.368 1.00 2.85 C ATOM 1029 OD1 ASP A 64 2.951 -13.453 -10.330 1.00 4.00 O ATOM 1030 OD2 ASP A 64 2.205 -12.467 -12.139 1.00 3.13 O ATOM 0 H ASP A 64 4.431 -9.785 -12.571 1.00 1.24 H new ATOM 0 HA ASP A 64 4.514 -11.093 -9.894 1.00 1.50 H new ATOM 0 HB2 ASP A 64 4.680 -12.141 -12.743 1.00 1.96 H new ATOM 0 HB3 ASP A 64 5.284 -13.065 -11.382 1.00 1.96 H new ATOM 1035 N GLN A 65 6.775 -9.554 -11.329 1.00 0.96 N ATOM 1036 CA GLN A 65 8.015 -8.890 -10.977 1.00 0.92 C ATOM 1037 C GLN A 65 8.033 -8.497 -9.500 1.00 0.77 C ATOM 1038 O GLN A 65 6.992 -8.123 -8.947 1.00 0.74 O ATOM 1039 CB GLN A 65 8.105 -7.599 -11.788 1.00 1.02 C ATOM 1040 CG GLN A 65 8.714 -7.801 -13.181 1.00 1.67 C ATOM 1041 CD GLN A 65 8.751 -6.502 -13.983 1.00 1.98 C ATOM 1042 OE1 GLN A 65 8.343 -6.451 -15.126 1.00 2.76 O ATOM 1043 NE2 GLN A 65 9.215 -5.401 -13.433 1.00 2.84 N ATOM 0 H GLN A 65 6.229 -9.042 -12.022 1.00 0.96 H new ATOM 0 HA GLN A 65 8.842 -9.570 -11.180 1.00 0.92 H new ATOM 0 HB2 GLN A 65 7.107 -7.174 -11.893 1.00 1.02 H new ATOM 0 HB3 GLN A 65 8.705 -6.873 -11.238 1.00 1.02 H new ATOM 0 HG2 GLN A 65 9.726 -8.194 -13.081 1.00 1.67 H new ATOM 0 HG3 GLN A 65 8.135 -8.547 -13.725 1.00 1.67 H new ATOM 0 HE21 GLN A 65 9.563 -5.417 -12.474 1.00 2.84 H new ATOM 0 HE22 GLN A 65 9.226 -4.531 -13.965 1.00 2.84 H new ATOM 1052 N GLU A 66 9.235 -8.484 -8.916 1.00 0.78 N ATOM 1053 CA GLU A 66 9.420 -8.034 -7.547 1.00 0.70 C ATOM 1054 C GLU A 66 9.402 -6.502 -7.397 1.00 0.71 C ATOM 1055 O GLU A 66 9.600 -5.733 -8.344 1.00 0.84 O ATOM 1056 CB GLU A 66 10.679 -8.630 -6.888 1.00 0.76 C ATOM 1057 CG GLU A 66 10.617 -10.151 -6.636 1.00 0.89 C ATOM 1058 CD GLU A 66 11.758 -10.655 -5.735 1.00 1.39 C ATOM 1059 OE1 GLU A 66 12.546 -9.824 -5.233 1.00 2.09 O ATOM 1060 OE2 GLU A 66 11.831 -11.880 -5.496 1.00 2.57 O ATOM 0 H GLU A 66 10.094 -8.783 -9.379 1.00 0.78 H new ATOM 0 HA GLU A 66 8.551 -8.417 -7.012 1.00 0.70 H new ATOM 0 HB2 GLU A 66 11.540 -8.415 -7.521 1.00 0.76 H new ATOM 0 HB3 GLU A 66 10.849 -8.125 -5.937 1.00 0.76 H new ATOM 0 HG2 GLU A 66 9.661 -10.399 -6.176 1.00 0.89 H new ATOM 0 HG3 GLU A 66 10.657 -10.675 -7.591 1.00 0.89 H new ATOM 1067 N ILE A 67 9.156 -6.087 -6.154 1.00 0.70 N ATOM 1068 CA ILE A 67 9.152 -4.729 -5.604 1.00 0.71 C ATOM 1069 C ILE A 67 9.654 -4.703 -4.174 1.00 0.66 C ATOM 1070 O ILE A 67 9.336 -5.590 -3.394 1.00 0.62 O ATOM 1071 CB ILE A 67 7.730 -4.151 -5.514 1.00 0.77 C ATOM 1072 CG1 ILE A 67 6.650 -5.210 -5.208 1.00 1.49 C ATOM 1073 CG2 ILE A 67 7.416 -3.372 -6.768 1.00 1.48 C ATOM 1074 CD1 ILE A 67 5.287 -4.615 -4.904 1.00 1.71 C ATOM 0 H ILE A 67 8.930 -6.768 -5.429 1.00 0.70 H new ATOM 0 HA ILE A 67 9.788 -4.155 -6.278 1.00 0.71 H new ATOM 0 HB ILE A 67 7.709 -3.475 -4.659 1.00 0.77 H new ATOM 0 HG12 ILE A 67 6.562 -5.884 -6.060 1.00 1.49 H new ATOM 0 HG13 ILE A 67 6.973 -5.811 -4.358 1.00 1.49 H new ATOM 0 HG21 ILE A 67 6.407 -2.964 -6.700 1.00 1.48 H new ATOM 0 HG22 ILE A 67 8.131 -2.556 -6.878 1.00 1.48 H new ATOM 0 HG23 ILE A 67 7.483 -4.032 -7.633 1.00 1.48 H new ATOM 0 HD11 ILE A 67 4.578 -5.417 -4.699 1.00 1.71 H new ATOM 0 HD12 ILE A 67 5.360 -3.963 -4.033 1.00 1.71 H new ATOM 0 HD13 ILE A 67 4.943 -4.037 -5.762 1.00 1.71 H new ATOM 1086 N ASP A 68 10.274 -3.589 -3.810 1.00 0.72 N ATOM 1087 CA ASP A 68 10.635 -3.184 -2.457 1.00 0.71 C ATOM 1088 C ASP A 68 9.495 -2.446 -1.721 1.00 0.69 C ATOM 1089 O ASP A 68 8.585 -1.877 -2.331 1.00 0.96 O ATOM 1090 CB ASP A 68 11.899 -2.302 -2.567 1.00 0.88 C ATOM 1091 CG ASP A 68 11.761 -1.065 -3.479 1.00 1.25 C ATOM 1092 OD1 ASP A 68 11.178 -1.146 -4.587 1.00 2.65 O ATOM 1093 OD2 ASP A 68 12.235 0.021 -3.092 1.00 1.83 O ATOM 0 H ASP A 68 10.558 -2.895 -4.501 1.00 0.72 H new ATOM 0 HA ASP A 68 10.828 -4.072 -1.855 1.00 0.71 H new ATOM 0 HB2 ASP A 68 12.177 -1.967 -1.568 1.00 0.88 H new ATOM 0 HB3 ASP A 68 12.720 -2.916 -2.937 1.00 0.88 H new ATOM 1098 N PHE A 69 9.596 -2.397 -0.387 1.00 0.68 N ATOM 1099 CA PHE A 69 8.669 -1.718 0.540 1.00 0.79 C ATOM 1100 C PHE A 69 8.366 -0.242 0.191 1.00 0.79 C ATOM 1101 O PHE A 69 7.322 0.290 0.559 1.00 0.90 O ATOM 1102 CB PHE A 69 9.245 -1.911 1.962 1.00 1.07 C ATOM 1103 CG PHE A 69 8.658 -1.042 3.064 1.00 1.23 C ATOM 1104 CD1 PHE A 69 7.412 -1.343 3.648 1.00 2.69 C ATOM 1105 CD2 PHE A 69 9.391 0.060 3.535 1.00 2.03 C ATOM 1106 CE1 PHE A 69 6.894 -0.515 4.663 1.00 3.34 C ATOM 1107 CE2 PHE A 69 8.862 0.899 4.533 1.00 3.03 C ATOM 1108 CZ PHE A 69 7.602 0.624 5.084 1.00 3.26 C ATOM 0 H PHE A 69 10.365 -2.852 0.105 1.00 0.68 H new ATOM 0 HA PHE A 69 7.681 -2.172 0.459 1.00 0.79 H new ATOM 0 HB2 PHE A 69 9.110 -2.955 2.244 1.00 1.07 H new ATOM 0 HB3 PHE A 69 10.319 -1.728 1.921 1.00 1.07 H new ATOM 0 HD1 PHE A 69 6.855 -2.207 3.318 1.00 2.69 H new ATOM 0 HD2 PHE A 69 10.370 0.265 3.127 1.00 2.03 H new ATOM 0 HE1 PHE A 69 5.946 -0.757 5.121 1.00 3.34 H new ATOM 0 HE2 PHE A 69 9.426 1.754 4.875 1.00 3.03 H new ATOM 0 HZ PHE A 69 7.178 1.283 5.827 1.00 3.26 H new ATOM 1118 N LYS A 70 9.224 0.422 -0.591 1.00 0.78 N ATOM 1119 CA LYS A 70 8.981 1.745 -1.190 1.00 0.82 C ATOM 1120 C LYS A 70 7.732 1.782 -2.077 1.00 0.89 C ATOM 1121 O LYS A 70 6.940 2.721 -2.020 1.00 0.84 O ATOM 1122 CB LYS A 70 10.201 2.027 -2.062 1.00 0.91 C ATOM 1123 CG LYS A 70 10.242 3.417 -2.723 1.00 1.55 C ATOM 1124 CD LYS A 70 10.266 3.302 -4.256 1.00 2.90 C ATOM 1125 CE LYS A 70 11.558 2.640 -4.778 1.00 3.44 C ATOM 1126 NZ LYS A 70 11.278 1.437 -5.596 1.00 4.73 N ATOM 0 H LYS A 70 10.139 0.043 -0.835 1.00 0.78 H new ATOM 0 HA LYS A 70 8.822 2.478 -0.399 1.00 0.82 H new ATOM 0 HB2 LYS A 70 11.096 1.909 -1.452 1.00 0.91 H new ATOM 0 HB3 LYS A 70 10.247 1.271 -2.846 1.00 0.91 H new ATOM 0 HG2 LYS A 70 9.372 3.996 -2.413 1.00 1.55 H new ATOM 0 HG3 LYS A 70 11.124 3.959 -2.382 1.00 1.55 H new ATOM 0 HD2 LYS A 70 9.405 2.722 -4.587 1.00 2.90 H new ATOM 0 HD3 LYS A 70 10.168 4.296 -4.693 1.00 2.90 H new ATOM 0 HE2 LYS A 70 12.118 3.360 -5.374 1.00 3.44 H new ATOM 0 HE3 LYS A 70 12.190 2.364 -3.934 1.00 3.44 H new ATOM 0 HZ1 LYS A 70 12.096 1.233 -6.205 1.00 4.73 H new ATOM 0 HZ2 LYS A 70 11.101 0.625 -4.970 1.00 4.73 H new ATOM 0 HZ3 LYS A 70 10.440 1.607 -6.188 1.00 4.73 H new ATOM 1140 N GLU A 71 7.582 0.770 -2.923 1.00 1.02 N ATOM 1141 CA GLU A 71 6.548 0.714 -3.955 1.00 0.89 C ATOM 1142 C GLU A 71 5.178 0.495 -3.314 1.00 0.87 C ATOM 1143 O GLU A 71 4.149 0.961 -3.790 1.00 1.01 O ATOM 1144 CB GLU A 71 6.886 -0.444 -4.893 1.00 0.95 C ATOM 1145 CG GLU A 71 8.219 -0.203 -5.621 1.00 1.13 C ATOM 1146 CD GLU A 71 8.070 0.618 -6.897 1.00 1.50 C ATOM 1147 OE1 GLU A 71 7.111 0.338 -7.661 1.00 2.03 O ATOM 1148 OE2 GLU A 71 8.940 1.496 -7.087 1.00 2.78 O ATOM 0 H GLU A 71 8.186 -0.052 -2.913 1.00 1.02 H new ATOM 0 HA GLU A 71 6.513 1.651 -4.511 1.00 0.89 H new ATOM 0 HB2 GLU A 71 6.943 -1.371 -4.323 1.00 0.95 H new ATOM 0 HB3 GLU A 71 6.087 -0.568 -5.624 1.00 0.95 H new ATOM 0 HG2 GLU A 71 8.906 0.308 -4.947 1.00 1.13 H new ATOM 0 HG3 GLU A 71 8.670 -1.165 -5.867 1.00 1.13 H new ATOM 1155 N TYR A 72 5.211 -0.180 -2.171 1.00 0.83 N ATOM 1156 CA TYR A 72 4.119 -0.286 -1.211 1.00 0.76 C ATOM 1157 C TYR A 72 3.859 1.045 -0.479 1.00 0.63 C ATOM 1158 O TYR A 72 2.723 1.520 -0.469 1.00 0.57 O ATOM 1159 CB TYR A 72 4.498 -1.467 -0.301 1.00 0.82 C ATOM 1160 CG TYR A 72 3.719 -1.697 0.988 1.00 0.80 C ATOM 1161 CD1 TYR A 72 2.552 -2.490 0.990 1.00 2.07 C ATOM 1162 CD2 TYR A 72 4.259 -1.271 2.219 1.00 1.42 C ATOM 1163 CE1 TYR A 72 1.962 -2.898 2.199 1.00 2.10 C ATOM 1164 CE2 TYR A 72 3.704 -1.729 3.427 1.00 1.44 C ATOM 1165 CZ TYR A 72 2.573 -2.566 3.421 1.00 0.93 C ATOM 1166 OH TYR A 72 2.113 -3.080 4.590 1.00 1.10 O ATOM 0 H TYR A 72 6.041 -0.693 -1.874 1.00 0.83 H new ATOM 0 HA TYR A 72 3.158 -0.482 -1.686 1.00 0.76 H new ATOM 0 HB2 TYR A 72 4.421 -2.377 -0.896 1.00 0.82 H new ATOM 0 HB3 TYR A 72 5.548 -1.349 -0.032 1.00 0.82 H new ATOM 0 HD1 TYR A 72 2.107 -2.787 0.052 1.00 2.07 H new ATOM 0 HD2 TYR A 72 5.099 -0.593 2.234 1.00 1.42 H new ATOM 0 HE1 TYR A 72 1.043 -3.465 2.189 1.00 2.10 H new ATOM 0 HE2 TYR A 72 4.149 -1.436 4.366 1.00 1.44 H new ATOM 0 HH TYR A 72 2.777 -2.934 5.295 1.00 1.10 H new ATOM 1176 N SER A 73 4.880 1.706 0.078 1.00 0.64 N ATOM 1177 CA SER A 73 4.717 2.957 0.837 1.00 0.61 C ATOM 1178 C SER A 73 4.178 4.110 -0.025 1.00 0.62 C ATOM 1179 O SER A 73 3.249 4.795 0.412 1.00 0.62 O ATOM 1180 CB SER A 73 6.021 3.351 1.543 1.00 0.62 C ATOM 1181 OG SER A 73 7.004 3.822 0.647 1.00 1.15 O ATOM 0 H SER A 73 5.848 1.389 0.016 1.00 0.64 H new ATOM 0 HA SER A 73 3.962 2.763 1.599 1.00 0.61 H new ATOM 0 HB2 SER A 73 5.810 4.123 2.283 1.00 0.62 H new ATOM 0 HB3 SER A 73 6.411 2.489 2.084 1.00 0.62 H new ATOM 0 HG SER A 73 7.743 4.220 1.152 1.00 1.15 H new ATOM 1187 N VAL A 74 4.675 4.287 -1.255 1.00 0.64 N ATOM 1188 CA VAL A 74 4.142 5.304 -2.184 1.00 0.63 C ATOM 1189 C VAL A 74 2.714 5.009 -2.643 1.00 0.64 C ATOM 1190 O VAL A 74 1.950 5.949 -2.820 1.00 0.63 O ATOM 1191 CB VAL A 74 5.034 5.565 -3.417 1.00 0.72 C ATOM 1192 CG1 VAL A 74 6.424 6.044 -2.985 1.00 0.77 C ATOM 1193 CG2 VAL A 74 5.131 4.381 -4.392 1.00 0.83 C ATOM 0 H VAL A 74 5.447 3.740 -1.635 1.00 0.64 H new ATOM 0 HA VAL A 74 4.136 6.214 -1.584 1.00 0.63 H new ATOM 0 HB VAL A 74 4.539 6.356 -3.980 1.00 0.72 H new ATOM 0 HG11 VAL A 74 7.038 6.223 -3.868 1.00 0.77 H new ATOM 0 HG12 VAL A 74 6.330 6.969 -2.416 1.00 0.77 H new ATOM 0 HG13 VAL A 74 6.895 5.282 -2.364 1.00 0.77 H new ATOM 0 HG21 VAL A 74 5.776 4.650 -5.228 1.00 0.83 H new ATOM 0 HG22 VAL A 74 5.549 3.517 -3.875 1.00 0.83 H new ATOM 0 HG23 VAL A 74 4.137 4.135 -4.765 1.00 0.83 H new ATOM 1203 N PHE A 75 2.317 3.743 -2.799 1.00 0.68 N ATOM 1204 CA PHE A 75 0.961 3.378 -3.227 1.00 0.68 C ATOM 1205 C PHE A 75 -0.053 3.620 -2.105 1.00 0.66 C ATOM 1206 O PHE A 75 -1.105 4.214 -2.342 1.00 0.67 O ATOM 1207 CB PHE A 75 0.982 1.904 -3.665 1.00 0.73 C ATOM 1208 CG PHE A 75 -0.173 1.467 -4.539 1.00 0.65 C ATOM 1209 CD1 PHE A 75 -1.442 1.190 -3.997 1.00 2.09 C ATOM 1210 CD2 PHE A 75 0.043 1.312 -5.921 1.00 1.62 C ATOM 1211 CE1 PHE A 75 -2.498 0.796 -4.843 1.00 2.03 C ATOM 1212 CE2 PHE A 75 -1.004 0.909 -6.758 1.00 1.71 C ATOM 1213 CZ PHE A 75 -2.282 0.671 -6.227 1.00 0.69 C ATOM 0 H PHE A 75 2.925 2.941 -2.633 1.00 0.68 H new ATOM 0 HA PHE A 75 0.649 4.003 -4.064 1.00 0.68 H new ATOM 0 HB2 PHE A 75 1.912 1.716 -4.201 1.00 0.73 H new ATOM 0 HB3 PHE A 75 0.996 1.278 -2.773 1.00 0.73 H new ATOM 0 HD1 PHE A 75 -1.606 1.279 -2.933 1.00 2.09 H new ATOM 0 HD2 PHE A 75 1.021 1.505 -6.337 1.00 1.62 H new ATOM 0 HE1 PHE A 75 -3.474 0.590 -4.428 1.00 2.03 H new ATOM 0 HE2 PHE A 75 -0.828 0.781 -7.816 1.00 1.71 H new ATOM 0 HZ PHE A 75 -3.096 0.393 -6.879 1.00 0.69 H new ATOM 1223 N LEU A 76 0.285 3.214 -0.873 1.00 0.63 N ATOM 1224 CA LEU A 76 -0.513 3.479 0.329 1.00 0.61 C ATOM 1225 C LEU A 76 -0.696 4.983 0.558 1.00 0.61 C ATOM 1226 O LEU A 76 -1.811 5.443 0.808 1.00 0.63 O ATOM 1227 CB LEU A 76 0.204 2.839 1.534 1.00 0.54 C ATOM 1228 CG LEU A 76 0.165 1.300 1.574 1.00 0.55 C ATOM 1229 CD1 LEU A 76 1.147 0.809 2.647 1.00 0.93 C ATOM 1230 CD2 LEU A 76 -1.247 0.791 1.888 1.00 0.81 C ATOM 0 H LEU A 76 1.135 2.684 -0.682 1.00 0.63 H new ATOM 0 HA LEU A 76 -1.507 3.048 0.204 1.00 0.61 H new ATOM 0 HB2 LEU A 76 1.245 3.161 1.530 1.00 0.54 H new ATOM 0 HB3 LEU A 76 -0.245 3.223 2.450 1.00 0.54 H new ATOM 0 HG LEU A 76 0.450 0.913 0.596 1.00 0.55 H new ATOM 0 HD11 LEU A 76 1.129 -0.280 2.686 1.00 0.93 H new ATOM 0 HD12 LEU A 76 2.154 1.147 2.401 1.00 0.93 H new ATOM 0 HD13 LEU A 76 0.856 1.211 3.618 1.00 0.93 H new ATOM 0 HD21 LEU A 76 -1.244 -0.299 1.910 1.00 0.81 H new ATOM 0 HD22 LEU A 76 -1.564 1.173 2.859 1.00 0.81 H new ATOM 0 HD23 LEU A 76 -1.938 1.137 1.119 1.00 0.81 H new ATOM 1242 N THR A 77 0.397 5.742 0.402 1.00 0.61 N ATOM 1243 CA THR A 77 0.419 7.211 0.409 1.00 0.56 C ATOM 1244 C THR A 77 -0.528 7.758 -0.652 1.00 0.66 C ATOM 1245 O THR A 77 -1.448 8.503 -0.332 1.00 0.74 O ATOM 1246 CB THR A 77 1.854 7.689 0.174 1.00 0.60 C ATOM 1247 OG1 THR A 77 2.618 7.306 1.281 1.00 0.58 O ATOM 1248 CG2 THR A 77 1.962 9.196 -0.045 1.00 0.77 C ATOM 0 H THR A 77 1.322 5.336 0.263 1.00 0.61 H new ATOM 0 HA THR A 77 0.079 7.583 1.375 1.00 0.56 H new ATOM 0 HB THR A 77 2.221 7.230 -0.744 1.00 0.60 H new ATOM 0 HG1 THR A 77 2.946 6.392 1.151 1.00 0.58 H new ATOM 0 HG21 THR A 77 3.006 9.466 -0.205 1.00 0.77 H new ATOM 0 HG22 THR A 77 1.375 9.480 -0.919 1.00 0.77 H new ATOM 0 HG23 THR A 77 1.582 9.719 0.833 1.00 0.77 H new ATOM 1256 N MET A 78 -0.346 7.337 -1.899 1.00 0.69 N ATOM 1257 CA MET A 78 -1.077 7.834 -3.061 1.00 0.68 C ATOM 1258 C MET A 78 -2.588 7.578 -2.981 1.00 0.69 C ATOM 1259 O MET A 78 -3.369 8.443 -3.358 1.00 0.70 O ATOM 1260 CB MET A 78 -0.410 7.213 -4.293 1.00 0.68 C ATOM 1261 CG MET A 78 -0.980 7.719 -5.609 1.00 1.11 C ATOM 1262 SD MET A 78 0.170 7.690 -7.016 1.00 1.14 S ATOM 1263 CE MET A 78 1.075 6.144 -6.729 1.00 1.08 C ATOM 0 H MET A 78 0.336 6.617 -2.137 1.00 0.69 H new ATOM 0 HA MET A 78 -1.019 8.921 -3.114 1.00 0.68 H new ATOM 0 HB2 MET A 78 0.659 7.425 -4.263 1.00 0.68 H new ATOM 0 HB3 MET A 78 -0.522 6.130 -4.250 1.00 0.68 H new ATOM 0 HG2 MET A 78 -1.853 7.118 -5.862 1.00 1.11 H new ATOM 0 HG3 MET A 78 -1.327 8.742 -5.466 1.00 1.11 H new ATOM 0 HE1 MET A 78 1.571 5.836 -7.650 1.00 1.08 H new ATOM 0 HE2 MET A 78 1.821 6.298 -5.949 1.00 1.08 H new ATOM 0 HE3 MET A 78 0.378 5.367 -6.415 1.00 1.08 H new ATOM 1273 N LEU A 79 -3.014 6.445 -2.418 1.00 0.75 N ATOM 1274 CA LEU A 79 -4.429 6.166 -2.136 1.00 0.84 C ATOM 1275 C LEU A 79 -5.003 6.964 -0.964 1.00 0.85 C ATOM 1276 O LEU A 79 -6.199 7.229 -0.975 1.00 1.04 O ATOM 1277 CB LEU A 79 -4.631 4.651 -1.966 1.00 0.98 C ATOM 1278 CG LEU A 79 -5.169 3.983 -3.248 1.00 1.22 C ATOM 1279 CD1 LEU A 79 -4.419 4.384 -4.533 1.00 2.65 C ATOM 1280 CD2 LEU A 79 -5.142 2.467 -3.033 1.00 1.58 C ATOM 0 H LEU A 79 -2.386 5.690 -2.143 1.00 0.75 H new ATOM 0 HA LEU A 79 -5.002 6.510 -2.997 1.00 0.84 H new ATOM 0 HB2 LEU A 79 -3.683 4.189 -1.689 1.00 0.98 H new ATOM 0 HB3 LEU A 79 -5.326 4.469 -1.146 1.00 0.98 H new ATOM 0 HG LEU A 79 -6.187 4.337 -3.412 1.00 1.22 H new ATOM 0 HD11 LEU A 79 -4.860 3.870 -5.387 1.00 2.65 H new ATOM 0 HD12 LEU A 79 -4.496 5.462 -4.678 1.00 2.65 H new ATOM 0 HD13 LEU A 79 -3.369 4.104 -4.444 1.00 2.65 H new ATOM 0 HD21 LEU A 79 -5.518 1.966 -3.925 1.00 1.58 H new ATOM 0 HD22 LEU A 79 -4.119 2.145 -2.840 1.00 1.58 H new ATOM 0 HD23 LEU A 79 -5.770 2.209 -2.180 1.00 1.58 H new ATOM 1292 N CYS A 80 -4.196 7.399 0.004 1.00 0.78 N ATOM 1293 CA CYS A 80 -4.634 8.412 0.968 1.00 0.84 C ATOM 1294 C CYS A 80 -4.791 9.784 0.281 1.00 0.82 C ATOM 1295 O CYS A 80 -5.856 10.385 0.348 1.00 1.01 O ATOM 1296 CB CYS A 80 -3.655 8.406 2.154 1.00 0.92 C ATOM 1297 SG CYS A 80 -4.359 9.341 3.537 1.00 1.13 S ATOM 0 H CYS A 80 -3.241 7.069 0.142 1.00 0.78 H new ATOM 0 HA CYS A 80 -5.624 8.181 1.362 1.00 0.84 H new ATOM 0 HB2 CYS A 80 -3.450 7.381 2.463 1.00 0.92 H new ATOM 0 HB3 CYS A 80 -2.703 8.844 1.854 1.00 0.92 H new ATOM 0 HG CYS A 80 -3.634 9.156 4.600 1.00 1.13 H new ATOM 1303 N MET A 81 -3.789 10.231 -0.485 1.00 0.75 N ATOM 1304 CA MET A 81 -3.794 11.492 -1.255 1.00 0.85 C ATOM 1305 C MET A 81 -4.957 11.563 -2.254 1.00 0.92 C ATOM 1306 O MET A 81 -5.487 12.646 -2.512 1.00 1.11 O ATOM 1307 CB MET A 81 -2.460 11.619 -1.997 1.00 0.99 C ATOM 1308 CG MET A 81 -1.282 11.743 -1.028 1.00 1.86 C ATOM 1309 SD MET A 81 0.315 11.711 -1.864 1.00 3.13 S ATOM 1310 CE MET A 81 0.267 13.407 -2.484 1.00 3.60 C ATOM 0 H MET A 81 -2.919 9.710 -0.593 1.00 0.75 H new ATOM 0 HA MET A 81 -3.927 12.317 -0.555 1.00 0.85 H new ATOM 0 HB2 MET A 81 -2.315 10.748 -2.636 1.00 0.99 H new ATOM 0 HB3 MET A 81 -2.488 12.492 -2.649 1.00 0.99 H new ATOM 0 HG2 MET A 81 -1.375 12.673 -0.467 1.00 1.86 H new ATOM 0 HG3 MET A 81 -1.325 10.929 -0.305 1.00 1.86 H new ATOM 0 HE1 MET A 81 1.260 13.698 -2.825 1.00 3.60 H new ATOM 0 HE2 MET A 81 -0.435 13.471 -3.315 1.00 3.60 H new ATOM 0 HE3 MET A 81 -0.053 14.077 -1.686 1.00 3.60 H new ATOM 1320 N ALA A 82 -5.381 10.398 -2.760 1.00 0.88 N ATOM 1321 CA ALA A 82 -6.506 10.230 -3.669 1.00 0.97 C ATOM 1322 C ALA A 82 -7.866 10.687 -3.098 1.00 1.10 C ATOM 1323 O ALA A 82 -8.804 10.809 -3.883 1.00 1.34 O ATOM 1324 CB ALA A 82 -6.565 8.771 -4.139 1.00 1.03 C ATOM 0 H ALA A 82 -4.926 9.514 -2.533 1.00 0.88 H new ATOM 0 HA ALA A 82 -6.326 10.894 -4.515 1.00 0.97 H new ATOM 0 HB1 ALA A 82 -7.406 8.642 -4.820 1.00 1.03 H new ATOM 0 HB2 ALA A 82 -5.639 8.517 -4.654 1.00 1.03 H new ATOM 0 HB3 ALA A 82 -6.692 8.116 -3.277 1.00 1.03 H new ATOM 1330 N TYR A 83 -7.994 10.913 -1.776 1.00 1.06 N ATOM 1331 CA TYR A 83 -9.263 11.294 -1.118 1.00 1.24 C ATOM 1332 C TYR A 83 -9.157 11.770 0.354 1.00 1.16 C ATOM 1333 O TYR A 83 -10.166 11.801 1.059 1.00 1.63 O ATOM 1334 CB TYR A 83 -10.313 10.173 -1.282 1.00 1.57 C ATOM 1335 CG TYR A 83 -9.966 8.822 -0.688 1.00 1.59 C ATOM 1336 CD1 TYR A 83 -10.342 8.517 0.633 1.00 2.24 C ATOM 1337 CD2 TYR A 83 -9.335 7.836 -1.479 1.00 2.72 C ATOM 1338 CE1 TYR A 83 -10.106 7.234 1.163 1.00 2.43 C ATOM 1339 CE2 TYR A 83 -9.130 6.542 -0.970 1.00 2.99 C ATOM 1340 CZ TYR A 83 -9.513 6.240 0.356 1.00 2.24 C ATOM 1341 OH TYR A 83 -9.321 4.990 0.855 1.00 2.75 O ATOM 0 H TYR A 83 -7.212 10.836 -1.126 1.00 1.06 H new ATOM 0 HA TYR A 83 -9.589 12.190 -1.646 1.00 1.24 H new ATOM 0 HB2 TYR A 83 -11.246 10.513 -0.833 1.00 1.57 H new ATOM 0 HB3 TYR A 83 -10.503 10.038 -2.347 1.00 1.57 H new ATOM 0 HD1 TYR A 83 -10.815 9.272 1.244 1.00 2.24 H new ATOM 0 HD2 TYR A 83 -9.009 8.078 -2.480 1.00 2.72 H new ATOM 0 HE1 TYR A 83 -10.378 7.011 2.184 1.00 2.43 H new ATOM 0 HE2 TYR A 83 -8.681 5.781 -1.591 1.00 2.99 H new ATOM 0 HH TYR A 83 -8.903 4.426 0.171 1.00 2.75 H new ATOM 1351 N ASN A 84 -7.973 12.161 0.847 1.00 1.05 N ATOM 1352 CA ASN A 84 -7.734 12.629 2.230 1.00 1.16 C ATOM 1353 C ASN A 84 -8.279 14.034 2.541 1.00 1.27 C ATOM 1354 O ASN A 84 -7.722 14.792 3.331 1.00 1.76 O ATOM 1355 CB ASN A 84 -6.258 12.464 2.633 1.00 1.34 C ATOM 1356 CG ASN A 84 -5.231 13.298 1.864 1.00 2.62 C ATOM 1357 OD1 ASN A 84 -5.488 13.903 0.827 1.00 4.02 O ATOM 1358 ND2 ASN A 84 -4.010 13.340 2.366 1.00 2.99 N ATOM 0 H ASN A 84 -7.125 12.162 0.280 1.00 1.05 H new ATOM 0 HA ASN A 84 -8.330 11.971 2.863 1.00 1.16 H new ATOM 0 HB2 ASN A 84 -6.167 12.706 3.692 1.00 1.34 H new ATOM 0 HB3 ASN A 84 -5.992 11.413 2.522 1.00 1.34 H new ATOM 0 HD21 ASN A 84 -3.282 13.875 1.892 1.00 2.99 H new ATOM 0 HD22 ASN A 84 -3.795 12.838 3.227 1.00 2.99 H new ATOM 1365 N ASP A 85 -9.412 14.369 1.932 1.00 1.31 N ATOM 1366 CA ASP A 85 -10.091 15.654 2.045 1.00 1.44 C ATOM 1367 C ASP A 85 -11.083 15.701 3.223 1.00 1.70 C ATOM 1368 O ASP A 85 -11.667 16.739 3.513 1.00 2.06 O ATOM 1369 CB ASP A 85 -10.706 15.977 0.677 1.00 2.02 C ATOM 1370 CG ASP A 85 -9.599 15.947 -0.380 1.00 3.44 C ATOM 1371 OD1 ASP A 85 -8.706 16.821 -0.330 1.00 4.83 O ATOM 1372 OD2 ASP A 85 -9.520 14.970 -1.163 1.00 4.01 O ATOM 0 H ASP A 85 -9.904 13.721 1.317 1.00 1.31 H new ATOM 0 HA ASP A 85 -9.380 16.441 2.296 1.00 1.44 H new ATOM 0 HB2 ASP A 85 -11.482 15.252 0.431 1.00 2.02 H new ATOM 0 HB3 ASP A 85 -11.181 16.958 0.699 1.00 2.02 H new ATOM 1377 N PHE A 86 -11.167 14.610 3.995 1.00 1.95 N ATOM 1378 CA PHE A 86 -11.695 14.586 5.367 1.00 2.53 C ATOM 1379 C PHE A 86 -10.848 15.413 6.363 1.00 2.64 C ATOM 1380 O PHE A 86 -11.175 15.471 7.548 1.00 3.27 O ATOM 1381 CB PHE A 86 -11.815 13.120 5.817 1.00 2.88 C ATOM 1382 CG PHE A 86 -12.927 12.357 5.118 1.00 3.39 C ATOM 1383 CD1 PHE A 86 -12.683 11.689 3.903 1.00 4.15 C ATOM 1384 CD2 PHE A 86 -14.218 12.331 5.682 1.00 3.95 C ATOM 1385 CE1 PHE A 86 -13.725 11.001 3.257 1.00 5.12 C ATOM 1386 CE2 PHE A 86 -15.258 11.639 5.039 1.00 4.71 C ATOM 1387 CZ PHE A 86 -15.013 10.969 3.825 1.00 5.20 C ATOM 0 H PHE A 86 -10.861 13.692 3.673 1.00 1.95 H new ATOM 0 HA PHE A 86 -12.676 15.062 5.363 1.00 2.53 H new ATOM 0 HB2 PHE A 86 -10.867 12.614 5.633 1.00 2.88 H new ATOM 0 HB3 PHE A 86 -11.988 13.092 6.893 1.00 2.88 H new ATOM 0 HD1 PHE A 86 -11.695 11.705 3.467 1.00 4.15 H new ATOM 0 HD2 PHE A 86 -14.409 12.845 6.612 1.00 3.95 H new ATOM 0 HE1 PHE A 86 -13.537 10.495 2.322 1.00 5.12 H new ATOM 0 HE2 PHE A 86 -16.246 11.621 5.476 1.00 4.71 H new ATOM 0 HZ PHE A 86 -15.810 10.433 3.331 1.00 5.20 H new ATOM 1397 N PHE A 87 -9.766 16.047 5.893 1.00 2.25 N ATOM 1398 CA PHE A 87 -8.970 17.039 6.621 1.00 2.59 C ATOM 1399 C PHE A 87 -9.093 18.464 6.028 1.00 2.66 C ATOM 1400 O PHE A 87 -8.441 19.381 6.538 1.00 3.10 O ATOM 1401 CB PHE A 87 -7.505 16.564 6.631 1.00 2.55 C ATOM 1402 CG PHE A 87 -7.286 15.113 7.032 1.00 2.76 C ATOM 1403 CD1 PHE A 87 -7.876 14.586 8.198 1.00 4.12 C ATOM 1404 CD2 PHE A 87 -6.508 14.272 6.213 1.00 2.95 C ATOM 1405 CE1 PHE A 87 -7.709 13.230 8.525 1.00 4.47 C ATOM 1406 CE2 PHE A 87 -6.332 12.917 6.545 1.00 3.49 C ATOM 1407 CZ PHE A 87 -6.941 12.392 7.697 1.00 3.75 C ATOM 0 H PHE A 87 -9.407 15.874 4.954 1.00 2.25 H new ATOM 0 HA PHE A 87 -9.353 17.115 7.639 1.00 2.59 H new ATOM 0 HB2 PHE A 87 -7.087 16.714 5.636 1.00 2.55 H new ATOM 0 HB3 PHE A 87 -6.941 17.200 7.313 1.00 2.55 H new ATOM 0 HD1 PHE A 87 -8.459 15.227 8.843 1.00 4.12 H new ATOM 0 HD2 PHE A 87 -6.043 14.671 5.323 1.00 2.95 H new ATOM 0 HE1 PHE A 87 -8.172 12.830 9.415 1.00 4.47 H new ATOM 0 HE2 PHE A 87 -5.729 12.280 5.915 1.00 3.49 H new ATOM 0 HZ PHE A 87 -6.820 11.348 7.946 1.00 3.75 H new ATOM 1417 N LEU A 88 -9.867 18.650 4.946 1.00 2.36 N ATOM 1418 CA LEU A 88 -10.010 19.885 4.162 1.00 2.41 C ATOM 1419 C LEU A 88 -11.385 20.556 4.303 1.00 2.97 C ATOM 1420 O LEU A 88 -12.353 19.986 4.797 1.00 3.81 O ATOM 1421 CB LEU A 88 -9.759 19.534 2.676 1.00 1.85 C ATOM 1422 CG LEU A 88 -8.310 19.683 2.183 1.00 1.99 C ATOM 1423 CD1 LEU A 88 -7.985 21.163 1.949 1.00 2.84 C ATOM 1424 CD2 LEU A 88 -7.256 19.065 3.110 1.00 2.76 C ATOM 0 H LEU A 88 -10.444 17.896 4.574 1.00 2.36 H new ATOM 0 HA LEU A 88 -9.285 20.604 4.544 1.00 2.41 H new ATOM 0 HB2 LEU A 88 -10.075 18.504 2.508 1.00 1.85 H new ATOM 0 HB3 LEU A 88 -10.398 20.168 2.061 1.00 1.85 H new ATOM 0 HG LEU A 88 -8.258 19.121 1.250 1.00 1.99 H new ATOM 0 HD11 LEU A 88 -6.957 21.259 1.600 1.00 2.84 H new ATOM 0 HD12 LEU A 88 -8.662 21.570 1.198 1.00 2.84 H new ATOM 0 HD13 LEU A 88 -8.104 21.714 2.882 1.00 2.84 H new ATOM 0 HD21 LEU A 88 -6.264 19.216 2.685 1.00 2.76 H new ATOM 0 HD22 LEU A 88 -7.308 19.542 4.089 1.00 2.76 H new ATOM 0 HD23 LEU A 88 -7.446 17.997 3.216 1.00 2.76 H new ATOM 1436 N GLU A 89 -11.425 21.804 3.848 1.00 2.94 N ATOM 1437 CA GLU A 89 -12.588 22.682 3.778 1.00 3.46 C ATOM 1438 C GLU A 89 -13.177 22.757 2.357 1.00 3.19 C ATOM 1439 O GLU A 89 -14.360 23.051 2.222 1.00 3.79 O ATOM 1440 CB GLU A 89 -12.164 24.104 4.204 1.00 4.00 C ATOM 1441 CG GLU A 89 -11.576 24.232 5.626 1.00 4.58 C ATOM 1442 CD GLU A 89 -10.096 23.834 5.780 1.00 4.56 C ATOM 1443 OE1 GLU A 89 -9.455 23.328 4.833 1.00 4.48 O ATOM 1444 OE2 GLU A 89 -9.549 23.965 6.898 1.00 5.40 O ATOM 0 H GLU A 89 -10.585 22.261 3.493 1.00 2.94 H new ATOM 0 HA GLU A 89 -13.351 22.275 4.441 1.00 3.46 H new ATOM 0 HB2 GLU A 89 -11.425 24.471 3.491 1.00 4.00 H new ATOM 0 HB3 GLU A 89 -13.032 24.759 4.130 1.00 4.00 H new ATOM 0 HG2 GLU A 89 -11.690 25.265 5.954 1.00 4.58 H new ATOM 0 HG3 GLU A 89 -12.170 23.616 6.301 1.00 4.58 H new ATOM 1451 N ASP A 90 -12.364 22.500 1.322 1.00 2.68 N ATOM 1452 CA ASP A 90 -12.693 22.636 -0.110 1.00 2.93 C ATOM 1453 C ASP A 90 -11.707 21.803 -0.983 1.00 3.13 C ATOM 1454 O ASP A 90 -11.041 20.890 -0.484 1.00 3.76 O ATOM 1455 CB ASP A 90 -12.759 24.139 -0.484 1.00 3.55 C ATOM 1456 CG ASP A 90 -13.647 24.434 -1.704 1.00 4.57 C ATOM 1457 OD1 ASP A 90 -13.126 24.342 -2.837 1.00 5.02 O ATOM 1458 OD2 ASP A 90 -14.841 24.761 -1.512 1.00 5.55 O ATOM 0 H ASP A 90 -11.408 22.174 1.466 1.00 2.68 H new ATOM 0 HA ASP A 90 -13.679 22.220 -0.315 1.00 2.93 H new ATOM 0 HB2 ASP A 90 -13.134 24.701 0.371 1.00 3.55 H new ATOM 0 HB3 ASP A 90 -11.750 24.499 -0.685 1.00 3.55 H new ATOM 1463 N ASN A 91 -11.613 22.076 -2.287 1.00 3.62 N ATOM 1464 CA ASN A 91 -11.003 21.228 -3.320 1.00 4.50 C ATOM 1465 C ASN A 91 -9.455 21.361 -3.428 1.00 4.51 C ATOM 1466 O ASN A 91 -8.934 21.666 -4.502 1.00 5.24 O ATOM 1467 CB ASN A 91 -11.764 21.517 -4.637 1.00 5.53 C ATOM 1468 CG ASN A 91 -11.609 20.433 -5.702 1.00 6.81 C ATOM 1469 OD1 ASN A 91 -12.511 19.655 -5.977 1.00 7.79 O ATOM 1470 ND2 ASN A 91 -10.468 20.346 -6.361 1.00 7.35 N ATOM 0 H ASN A 91 -11.981 22.945 -2.675 1.00 3.62 H new ATOM 0 HA ASN A 91 -11.111 20.177 -3.052 1.00 4.50 H new ATOM 0 HB2 ASN A 91 -12.823 21.640 -4.412 1.00 5.53 H new ATOM 0 HB3 ASN A 91 -11.413 22.465 -5.046 1.00 5.53 H new ATOM 0 HD21 ASN A 91 -10.350 19.638 -7.086 1.00 7.35 H new ATOM 0 HD22 ASN A 91 -9.704 20.987 -6.145 1.00 7.35 H new ATOM 1477 N LYS A 92 -8.756 21.091 -2.313 1.00 4.23 N ATOM 1478 CA LYS A 92 -7.287 20.988 -2.103 1.00 4.94 C ATOM 1479 C LYS A 92 -6.645 22.341 -1.761 1.00 5.10 C ATOM 1480 O LYS A 92 -6.425 22.553 -0.550 1.00 5.74 O ATOM 1481 CB LYS A 92 -6.534 20.281 -3.257 1.00 5.84 C ATOM 1482 CG LYS A 92 -6.936 18.822 -3.549 1.00 6.98 C ATOM 1483 CD LYS A 92 -6.470 17.844 -2.460 1.00 7.99 C ATOM 1484 CE LYS A 92 -6.797 16.384 -2.824 1.00 9.58 C ATOM 1485 NZ LYS A 92 -6.701 15.474 -1.655 1.00 10.45 N ATOM 1486 OXT LYS A 92 -6.306 23.099 -2.690 1.00 5.44 O ATOM 0 H LYS A 92 -9.252 20.920 -1.438 1.00 4.23 H new ATOM 0 HA LYS A 92 -7.178 20.341 -1.233 1.00 4.94 H new ATOM 0 HB2 LYS A 92 -6.680 20.864 -4.167 1.00 5.84 H new ATOM 0 HB3 LYS A 92 -5.468 20.303 -3.032 1.00 5.84 H new ATOM 0 HG2 LYS A 92 -8.020 18.761 -3.645 1.00 6.98 H new ATOM 0 HG3 LYS A 92 -6.514 18.519 -4.507 1.00 6.98 H new ATOM 0 HD2 LYS A 92 -5.395 17.950 -2.312 1.00 7.99 H new ATOM 0 HD3 LYS A 92 -6.948 18.099 -1.514 1.00 7.99 H new ATOM 0 HE2 LYS A 92 -7.804 16.333 -3.239 1.00 9.58 H new ATOM 0 HE3 LYS A 92 -6.113 16.045 -3.602 1.00 9.58 H new ATOM 0 HZ1 LYS A 92 -7.151 14.565 -1.885 1.00 10.45 H new ATOM 0 HZ2 LYS A 92 -5.700 15.315 -1.420 1.00 10.45 H new ATOM 0 HZ3 LYS A 92 -7.184 15.903 -0.840 1.00 10.45 H new TER 1500 LYS A 92 ATOM 1501 N MET B 1 -11.775 3.229 12.578 1.00 5.17 N ATOM 1502 CA MET B 1 -10.441 2.915 12.036 1.00 4.46 C ATOM 1503 C MET B 1 -10.118 1.456 12.249 1.00 3.42 C ATOM 1504 O MET B 1 -9.801 1.035 13.366 1.00 4.32 O ATOM 1505 CB MET B 1 -9.277 3.699 12.628 1.00 5.84 C ATOM 1506 CG MET B 1 -9.253 5.172 12.211 1.00 6.93 C ATOM 1507 SD MET B 1 -10.575 6.179 12.937 1.00 7.88 S ATOM 1508 CE MET B 1 -10.048 7.817 12.369 1.00 9.48 C ATOM 0 H1 MET B 1 -11.802 4.224 12.880 1.00 5.17 H new ATOM 0 H2 MET B 1 -12.494 3.071 11.844 1.00 5.17 H new ATOM 0 H3 MET B 1 -11.972 2.614 13.393 1.00 5.17 H new ATOM 0 HA MET B 1 -10.526 3.194 10.986 1.00 4.46 H new ATOM 0 HB2 MET B 1 -9.325 3.639 13.715 1.00 5.84 H new ATOM 0 HB3 MET B 1 -8.342 3.229 12.324 1.00 5.84 H new ATOM 0 HG2 MET B 1 -8.291 5.601 12.492 1.00 6.93 H new ATOM 0 HG3 MET B 1 -9.323 5.231 11.125 1.00 6.93 H new ATOM 0 HE1 MET B 1 -10.751 8.569 12.726 1.00 9.48 H new ATOM 0 HE2 MET B 1 -9.054 8.035 12.760 1.00 9.48 H new ATOM 0 HE3 MET B 1 -10.021 7.833 11.279 1.00 9.48 H new ATOM 1517 N GLU B 2 -10.139 0.688 11.172 1.00 2.14 N ATOM 1518 CA GLU B 2 -10.453 -0.730 11.298 1.00 1.66 C ATOM 1519 C GLU B 2 -9.215 -1.611 11.244 1.00 1.61 C ATOM 1520 O GLU B 2 -8.920 -2.375 12.166 1.00 2.27 O ATOM 1521 CB GLU B 2 -11.468 -1.095 10.199 1.00 2.33 C ATOM 1522 CG GLU B 2 -12.908 -0.670 10.534 1.00 3.03 C ATOM 1523 CD GLU B 2 -13.015 0.738 11.129 1.00 3.38 C ATOM 1524 OE1 GLU B 2 -12.744 1.732 10.425 1.00 3.88 O ATOM 1525 OE2 GLU B 2 -13.113 0.863 12.366 1.00 4.04 O ATOM 0 H GLU B 2 -9.948 1.009 10.223 1.00 2.14 H new ATOM 0 HA GLU B 2 -10.888 -0.914 12.280 1.00 1.66 H new ATOM 0 HB2 GLU B 2 -11.166 -0.623 9.264 1.00 2.33 H new ATOM 0 HB3 GLU B 2 -11.444 -2.172 10.035 1.00 2.33 H new ATOM 0 HG2 GLU B 2 -13.511 -0.718 9.627 1.00 3.03 H new ATOM 0 HG3 GLU B 2 -13.333 -1.385 11.238 1.00 3.03 H new ATOM 1532 N THR B 3 -8.456 -1.448 10.172 1.00 1.13 N ATOM 1533 CA THR B 3 -7.505 -2.476 9.696 1.00 1.08 C ATOM 1534 C THR B 3 -6.079 -2.141 10.115 1.00 1.06 C ATOM 1535 O THR B 3 -5.785 -0.968 10.325 1.00 1.11 O ATOM 1536 CB THR B 3 -7.612 -2.719 8.187 1.00 1.14 C ATOM 1537 OG1 THR B 3 -6.866 -1.749 7.502 1.00 1.28 O ATOM 1538 CG2 THR B 3 -9.048 -2.739 7.665 1.00 1.48 C ATOM 0 H THR B 3 -8.472 -0.605 9.598 1.00 1.13 H new ATOM 0 HA THR B 3 -7.782 -3.414 10.177 1.00 1.08 H new ATOM 0 HB THR B 3 -7.210 -3.715 8.003 1.00 1.14 H new ATOM 0 HG1 THR B 3 -6.054 -2.159 7.136 1.00 1.28 H new ATOM 0 HG21 THR B 3 -9.042 -2.916 6.589 1.00 1.48 H new ATOM 0 HG22 THR B 3 -9.604 -3.535 8.160 1.00 1.48 H new ATOM 0 HG23 THR B 3 -9.524 -1.780 7.872 1.00 1.48 H new ATOM 1546 N PRO B 4 -5.160 -3.103 10.299 1.00 1.11 N ATOM 1547 CA PRO B 4 -3.888 -2.780 10.927 1.00 1.16 C ATOM 1548 C PRO B 4 -3.023 -1.888 10.033 1.00 1.03 C ATOM 1549 O PRO B 4 -2.368 -0.991 10.553 1.00 1.09 O ATOM 1550 CB PRO B 4 -3.235 -4.129 11.248 1.00 1.37 C ATOM 1551 CG PRO B 4 -3.857 -5.081 10.227 1.00 1.38 C ATOM 1552 CD PRO B 4 -5.269 -4.522 10.027 1.00 1.25 C ATOM 0 HA PRO B 4 -4.020 -2.194 11.837 1.00 1.16 H new ATOM 0 HB2 PRO B 4 -2.151 -4.084 11.146 1.00 1.37 H new ATOM 0 HB3 PRO B 4 -3.446 -4.444 12.270 1.00 1.37 H new ATOM 0 HG2 PRO B 4 -3.294 -5.092 9.294 1.00 1.38 H new ATOM 0 HG3 PRO B 4 -3.880 -6.106 10.597 1.00 1.38 H new ATOM 0 HD2 PRO B 4 -5.623 -4.702 9.012 1.00 1.25 H new ATOM 0 HD3 PRO B 4 -5.980 -4.998 10.702 1.00 1.25 H new ATOM 1560 N LEU B 5 -3.090 -2.039 8.699 1.00 0.91 N ATOM 1561 CA LEU B 5 -2.362 -1.152 7.800 1.00 0.82 C ATOM 1562 C LEU B 5 -2.922 0.276 7.815 1.00 0.68 C ATOM 1563 O LEU B 5 -2.134 1.222 7.802 1.00 0.74 O ATOM 1564 CB LEU B 5 -2.342 -1.773 6.395 1.00 0.88 C ATOM 1565 CG LEU B 5 -1.335 -1.163 5.403 1.00 1.00 C ATOM 1566 CD1 LEU B 5 0.076 -1.002 5.996 1.00 1.42 C ATOM 1567 CD2 LEU B 5 -1.282 -2.081 4.173 1.00 1.76 C ATOM 0 H LEU B 5 -3.637 -2.762 8.231 1.00 0.91 H new ATOM 0 HA LEU B 5 -1.334 -1.053 8.148 1.00 0.82 H new ATOM 0 HB2 LEU B 5 -2.127 -2.837 6.493 1.00 0.88 H new ATOM 0 HB3 LEU B 5 -3.341 -1.688 5.967 1.00 0.88 H new ATOM 0 HG LEU B 5 -1.671 -0.159 5.145 1.00 1.00 H new ATOM 0 HD11 LEU B 5 0.738 -0.567 5.247 1.00 1.42 H new ATOM 0 HD12 LEU B 5 0.032 -0.347 6.866 1.00 1.42 H new ATOM 0 HD13 LEU B 5 0.458 -1.978 6.295 1.00 1.42 H new ATOM 0 HD21 LEU B 5 -0.576 -1.677 3.448 1.00 1.76 H new ATOM 0 HD22 LEU B 5 -0.961 -3.077 4.476 1.00 1.76 H new ATOM 0 HD23 LEU B 5 -2.272 -2.141 3.721 1.00 1.76 H new ATOM 1579 N GLU B 6 -4.247 0.453 7.933 1.00 0.67 N ATOM 1580 CA GLU B 6 -4.847 1.788 8.058 1.00 0.71 C ATOM 1581 C GLU B 6 -4.283 2.523 9.293 1.00 0.75 C ATOM 1582 O GLU B 6 -3.898 3.686 9.194 1.00 0.85 O ATOM 1583 CB GLU B 6 -6.395 1.718 7.985 1.00 0.80 C ATOM 1584 CG GLU B 6 -7.182 1.650 9.285 1.00 2.02 C ATOM 1585 CD GLU B 6 -7.636 3.007 9.784 1.00 2.70 C ATOM 1586 OE1 GLU B 6 -6.829 3.697 10.443 1.00 3.51 O ATOM 1587 OE2 GLU B 6 -8.846 3.262 9.633 1.00 3.46 O ATOM 0 H GLU B 6 -4.922 -0.312 7.944 1.00 0.67 H new ATOM 0 HA GLU B 6 -4.560 2.400 7.203 1.00 0.71 H new ATOM 0 HB2 GLU B 6 -6.740 2.593 7.434 1.00 0.80 H new ATOM 0 HB3 GLU B 6 -6.659 0.843 7.392 1.00 0.80 H new ATOM 0 HG2 GLU B 6 -8.055 1.014 9.140 1.00 2.02 H new ATOM 0 HG3 GLU B 6 -6.566 1.177 10.050 1.00 2.02 H new ATOM 1594 N LYS B 7 -4.064 1.817 10.411 1.00 0.77 N ATOM 1595 CA LYS B 7 -3.499 2.407 11.637 1.00 0.89 C ATOM 1596 C LYS B 7 -2.078 2.985 11.436 1.00 0.87 C ATOM 1597 O LYS B 7 -1.689 3.922 12.142 1.00 1.01 O ATOM 1598 CB LYS B 7 -3.557 1.371 12.789 1.00 1.07 C ATOM 1599 CG LYS B 7 -4.747 1.571 13.752 1.00 1.32 C ATOM 1600 CD LYS B 7 -6.128 1.414 13.104 1.00 1.98 C ATOM 1601 CE LYS B 7 -6.565 -0.037 12.865 1.00 3.58 C ATOM 1602 NZ LYS B 7 -7.541 -0.554 13.855 1.00 4.64 N ATOM 0 H LYS B 7 -4.273 0.822 10.493 1.00 0.77 H new ATOM 0 HA LYS B 7 -4.114 3.266 11.908 1.00 0.89 H new ATOM 0 HB2 LYS B 7 -3.613 0.370 12.361 1.00 1.07 H new ATOM 0 HB3 LYS B 7 -2.629 1.423 13.358 1.00 1.07 H new ATOM 0 HG2 LYS B 7 -4.660 0.855 14.569 1.00 1.32 H new ATOM 0 HG3 LYS B 7 -4.678 2.566 14.192 1.00 1.32 H new ATOM 0 HD2 LYS B 7 -6.869 1.902 13.737 1.00 1.98 H new ATOM 0 HD3 LYS B 7 -6.128 1.941 12.150 1.00 1.98 H new ATOM 0 HE2 LYS B 7 -7.001 -0.113 11.869 1.00 3.58 H new ATOM 0 HE3 LYS B 7 -5.682 -0.676 12.876 1.00 3.58 H new ATOM 0 HZ1 LYS B 7 -7.924 -1.462 13.523 1.00 4.64 H new ATOM 0 HZ2 LYS B 7 -7.067 -0.692 14.770 1.00 4.64 H new ATOM 0 HZ3 LYS B 7 -8.317 0.129 13.966 1.00 4.64 H new ATOM 1616 N ALA B 8 -1.312 2.465 10.468 1.00 0.80 N ATOM 1617 CA ALA B 8 -0.030 3.040 10.069 1.00 0.80 C ATOM 1618 C ALA B 8 -0.231 4.433 9.450 1.00 0.65 C ATOM 1619 O ALA B 8 0.277 5.417 9.989 1.00 0.68 O ATOM 1620 CB ALA B 8 0.719 2.067 9.146 1.00 0.90 C ATOM 0 H ALA B 8 -1.569 1.631 9.940 1.00 0.80 H new ATOM 0 HA ALA B 8 0.597 3.186 10.948 1.00 0.80 H new ATOM 0 HB1 ALA B 8 1.674 2.505 8.854 1.00 0.90 H new ATOM 0 HB2 ALA B 8 0.896 1.129 9.673 1.00 0.90 H new ATOM 0 HB3 ALA B 8 0.120 1.876 8.256 1.00 0.90 H new ATOM 1626 N LEU B 9 -1.026 4.526 8.376 1.00 0.60 N ATOM 1627 CA LEU B 9 -1.304 5.782 7.670 1.00 0.59 C ATOM 1628 C LEU B 9 -2.017 6.809 8.567 1.00 0.54 C ATOM 1629 O LEU B 9 -1.659 7.989 8.520 1.00 0.51 O ATOM 1630 CB LEU B 9 -2.126 5.506 6.391 1.00 0.61 C ATOM 1631 CG LEU B 9 -1.424 4.811 5.201 1.00 0.62 C ATOM 1632 CD1 LEU B 9 -0.159 5.561 4.756 1.00 0.91 C ATOM 1633 CD2 LEU B 9 -1.098 3.333 5.466 1.00 0.62 C ATOM 0 H LEU B 9 -1.500 3.720 7.968 1.00 0.60 H new ATOM 0 HA LEU B 9 -0.346 6.219 7.389 1.00 0.59 H new ATOM 0 HB2 LEU B 9 -2.984 4.895 6.673 1.00 0.61 H new ATOM 0 HB3 LEU B 9 -2.517 6.459 6.035 1.00 0.61 H new ATOM 0 HG LEU B 9 -2.149 4.841 4.388 1.00 0.62 H new ATOM 0 HD11 LEU B 9 0.300 5.036 3.918 1.00 0.91 H new ATOM 0 HD12 LEU B 9 -0.425 6.572 4.449 1.00 0.91 H new ATOM 0 HD13 LEU B 9 0.547 5.608 5.585 1.00 0.91 H new ATOM 0 HD21 LEU B 9 -0.607 2.906 4.591 1.00 0.62 H new ATOM 0 HD22 LEU B 9 -0.436 3.255 6.328 1.00 0.62 H new ATOM 0 HD23 LEU B 9 -2.020 2.787 5.667 1.00 0.62 H new ATOM 1645 N THR B 10 -2.971 6.378 9.405 1.00 0.59 N ATOM 1646 CA THR B 10 -3.705 7.219 10.368 1.00 0.59 C ATOM 1647 C THR B 10 -2.771 7.920 11.361 1.00 0.59 C ATOM 1648 O THR B 10 -2.945 9.115 11.613 1.00 0.69 O ATOM 1649 CB THR B 10 -4.753 6.340 11.054 1.00 0.76 C ATOM 1650 OG1 THR B 10 -5.728 6.069 10.076 1.00 1.01 O ATOM 1651 CG2 THR B 10 -5.442 7.019 12.235 1.00 1.24 C ATOM 0 H THR B 10 -3.264 5.402 9.434 1.00 0.59 H new ATOM 0 HA THR B 10 -4.205 8.033 9.844 1.00 0.59 H new ATOM 0 HB THR B 10 -4.260 5.453 11.451 1.00 0.76 H new ATOM 0 HG1 THR B 10 -6.226 5.262 10.325 1.00 1.01 H new ATOM 0 HG21 THR B 10 -6.172 6.337 12.672 1.00 1.24 H new ATOM 0 HG22 THR B 10 -4.698 7.285 12.986 1.00 1.24 H new ATOM 0 HG23 THR B 10 -5.949 7.921 11.891 1.00 1.24 H new ATOM 1659 N THR B 11 -1.744 7.218 11.864 1.00 0.57 N ATOM 1660 CA THR B 11 -0.691 7.822 12.708 1.00 0.57 C ATOM 1661 C THR B 11 0.062 8.871 11.903 1.00 0.56 C ATOM 1662 O THR B 11 0.072 10.027 12.307 1.00 0.68 O ATOM 1663 CB THR B 11 0.238 6.748 13.297 1.00 0.64 C ATOM 1664 OG1 THR B 11 -0.539 5.726 13.882 1.00 0.71 O ATOM 1665 CG2 THR B 11 1.139 7.258 14.424 1.00 0.81 C ATOM 0 H THR B 11 -1.616 6.219 11.700 1.00 0.57 H new ATOM 0 HA THR B 11 -1.152 8.319 13.561 1.00 0.57 H new ATOM 0 HB THR B 11 0.854 6.414 12.462 1.00 0.64 H new ATOM 0 HG1 THR B 11 -0.847 5.109 13.185 1.00 0.71 H new ATOM 0 HG21 THR B 11 1.764 6.442 14.787 1.00 0.81 H new ATOM 0 HG22 THR B 11 1.773 8.061 14.048 1.00 0.81 H new ATOM 0 HG23 THR B 11 0.523 7.634 15.241 1.00 0.81 H new ATOM 1673 N MET B 12 0.572 8.481 10.730 1.00 0.58 N ATOM 1674 CA MET B 12 1.347 9.341 9.817 1.00 0.58 C ATOM 1675 C MET B 12 0.624 10.640 9.449 1.00 0.58 C ATOM 1676 O MET B 12 1.199 11.714 9.571 1.00 0.66 O ATOM 1677 CB MET B 12 1.694 8.571 8.533 1.00 0.62 C ATOM 1678 CG MET B 12 2.701 7.443 8.750 1.00 0.79 C ATOM 1679 SD MET B 12 2.962 6.423 7.276 1.00 0.94 S ATOM 1680 CE MET B 12 4.555 7.082 6.715 1.00 0.95 C ATOM 0 H MET B 12 0.456 7.532 10.376 1.00 0.58 H new ATOM 0 HA MET B 12 2.254 9.619 10.354 1.00 0.58 H new ATOM 0 HB2 MET B 12 0.780 8.154 8.111 1.00 0.62 H new ATOM 0 HB3 MET B 12 2.095 9.269 7.798 1.00 0.62 H new ATOM 0 HG2 MET B 12 3.654 7.871 9.061 1.00 0.79 H new ATOM 0 HG3 MET B 12 2.355 6.808 9.566 1.00 0.79 H new ATOM 0 HE1 MET B 12 4.446 7.493 5.712 1.00 0.95 H new ATOM 0 HE2 MET B 12 4.884 7.868 7.395 1.00 0.95 H new ATOM 0 HE3 MET B 12 5.295 6.282 6.700 1.00 0.95 H new ATOM 1690 N VAL B 13 -0.640 10.574 9.005 1.00 0.54 N ATOM 1691 CA VAL B 13 -1.412 11.786 8.647 1.00 0.58 C ATOM 1692 C VAL B 13 -1.599 12.706 9.856 1.00 0.57 C ATOM 1693 O VAL B 13 -1.523 13.924 9.717 1.00 0.63 O ATOM 1694 CB VAL B 13 -2.785 11.512 7.987 1.00 0.66 C ATOM 1695 CG1 VAL B 13 -2.641 10.840 6.614 1.00 0.73 C ATOM 1696 CG2 VAL B 13 -3.756 10.710 8.861 1.00 0.69 C ATOM 0 H VAL B 13 -1.153 9.701 8.884 1.00 0.54 H new ATOM 0 HA VAL B 13 -0.802 12.279 7.890 1.00 0.58 H new ATOM 0 HB VAL B 13 -3.224 12.501 7.858 1.00 0.66 H new ATOM 0 HG11 VAL B 13 -3.629 10.667 6.188 1.00 0.73 H new ATOM 0 HG12 VAL B 13 -2.068 11.488 5.950 1.00 0.73 H new ATOM 0 HG13 VAL B 13 -2.123 9.888 6.728 1.00 0.73 H new ATOM 0 HG21 VAL B 13 -4.693 10.563 8.323 1.00 0.69 H new ATOM 0 HG22 VAL B 13 -3.317 9.741 9.097 1.00 0.69 H new ATOM 0 HG23 VAL B 13 -3.950 11.256 9.785 1.00 0.69 H new ATOM 1706 N THR B 14 -1.803 12.147 11.054 1.00 0.55 N ATOM 1707 CA THR B 14 -2.054 12.931 12.270 1.00 0.61 C ATOM 1708 C THR B 14 -0.783 13.657 12.713 1.00 0.61 C ATOM 1709 O THR B 14 -0.872 14.830 13.086 1.00 0.78 O ATOM 1710 CB THR B 14 -2.618 12.011 13.359 1.00 0.67 C ATOM 1711 OG1 THR B 14 -3.798 11.409 12.868 1.00 0.96 O ATOM 1712 CG2 THR B 14 -2.997 12.773 14.631 1.00 0.97 C ATOM 0 H THR B 14 -1.799 11.139 11.209 1.00 0.55 H new ATOM 0 HA THR B 14 -2.797 13.703 12.069 1.00 0.61 H new ATOM 0 HB THR B 14 -1.844 11.284 13.604 1.00 0.67 H new ATOM 0 HG1 THR B 14 -3.566 10.612 12.347 1.00 0.96 H new ATOM 0 HG21 THR B 14 -3.391 12.075 15.370 1.00 0.97 H new ATOM 0 HG22 THR B 14 -2.114 13.269 15.035 1.00 0.97 H new ATOM 0 HG23 THR B 14 -3.756 13.519 14.396 1.00 0.97 H new ATOM 1720 N THR B 15 0.392 13.021 12.614 1.00 0.55 N ATOM 1721 CA THR B 15 1.691 13.666 12.874 1.00 0.59 C ATOM 1722 C THR B 15 2.070 14.660 11.786 1.00 0.60 C ATOM 1723 O THR B 15 2.483 15.758 12.141 1.00 0.74 O ATOM 1724 CB THR B 15 2.812 12.636 13.079 1.00 0.64 C ATOM 1725 OG1 THR B 15 2.627 11.499 12.277 1.00 1.29 O ATOM 1726 CG2 THR B 15 2.846 12.164 14.529 1.00 1.09 C ATOM 0 H THR B 15 0.471 12.039 12.350 1.00 0.55 H new ATOM 0 HA THR B 15 1.572 14.224 13.803 1.00 0.59 H new ATOM 0 HB THR B 15 3.743 13.134 12.806 1.00 0.64 H new ATOM 0 HG1 THR B 15 3.493 11.198 11.931 1.00 1.29 H new ATOM 0 HG21 THR B 15 3.646 11.435 14.656 1.00 1.09 H new ATOM 0 HG22 THR B 15 3.024 13.016 15.185 1.00 1.09 H new ATOM 0 HG23 THR B 15 1.892 11.703 14.784 1.00 1.09 H new ATOM 1734 N PHE B 16 1.891 14.340 10.500 1.00 0.54 N ATOM 1735 CA PHE B 16 2.185 15.223 9.362 1.00 0.57 C ATOM 1736 C PHE B 16 1.363 16.525 9.392 1.00 0.59 C ATOM 1737 O PHE B 16 1.904 17.624 9.248 1.00 0.66 O ATOM 1738 CB PHE B 16 1.915 14.428 8.071 1.00 0.61 C ATOM 1739 CG PHE B 16 2.170 15.170 6.772 1.00 0.68 C ATOM 1740 CD1 PHE B 16 1.191 16.038 6.242 1.00 1.77 C ATOM 1741 CD2 PHE B 16 3.363 14.955 6.063 1.00 1.61 C ATOM 1742 CE1 PHE B 16 1.419 16.703 5.026 1.00 1.82 C ATOM 1743 CE2 PHE B 16 3.576 15.598 4.828 1.00 1.63 C ATOM 1744 CZ PHE B 16 2.609 16.475 4.314 1.00 0.83 C ATOM 0 H PHE B 16 1.526 13.432 10.212 1.00 0.54 H new ATOM 0 HA PHE B 16 3.228 15.535 9.413 1.00 0.57 H new ATOM 0 HB2 PHE B 16 2.535 13.531 8.083 1.00 0.61 H new ATOM 0 HB3 PHE B 16 0.876 14.098 8.081 1.00 0.61 H new ATOM 0 HD1 PHE B 16 0.263 16.191 6.773 1.00 1.77 H new ATOM 0 HD2 PHE B 16 4.118 14.296 6.465 1.00 1.61 H new ATOM 0 HE1 PHE B 16 0.680 17.389 4.638 1.00 1.82 H new ATOM 0 HE2 PHE B 16 4.486 15.415 4.275 1.00 1.63 H new ATOM 0 HZ PHE B 16 2.779 16.975 3.372 1.00 0.83 H new ATOM 1754 N HIS B 17 0.048 16.414 9.617 1.00 0.62 N ATOM 1755 CA HIS B 17 -0.858 17.569 9.614 1.00 0.75 C ATOM 1756 C HIS B 17 -0.559 18.576 10.742 1.00 0.83 C ATOM 1757 O HIS B 17 -0.814 19.765 10.578 1.00 1.04 O ATOM 1758 CB HIS B 17 -2.320 17.101 9.634 1.00 0.88 C ATOM 1759 CG HIS B 17 -2.779 16.551 8.301 1.00 2.52 C ATOM 1760 ND1 HIS B 17 -3.271 15.287 8.089 1.00 4.56 N ATOM 1761 CD2 HIS B 17 -2.710 17.155 7.069 1.00 2.97 C ATOM 1762 CE1 HIS B 17 -3.437 15.106 6.774 1.00 5.98 C ATOM 1763 NE2 HIS B 17 -3.111 16.220 6.109 1.00 5.05 N ATOM 0 H HIS B 17 -0.416 15.525 9.805 1.00 0.62 H new ATOM 0 HA HIS B 17 -0.683 18.114 8.686 1.00 0.75 H new ATOM 0 HB2 HIS B 17 -2.441 16.334 10.399 1.00 0.88 H new ATOM 0 HB3 HIS B 17 -2.960 17.937 9.917 1.00 0.88 H new ATOM 0 HD1 HIS B 17 -3.476 14.600 8.814 1.00 4.56 H new ATOM 0 HD2 HIS B 17 -2.401 18.172 6.876 1.00 2.97 H new ATOM 0 HE1 HIS B 17 -3.784 14.192 6.315 1.00 5.98 H new ATOM 1772 N LYS B 18 0.067 18.152 11.847 1.00 0.79 N ATOM 1773 CA LYS B 18 0.497 19.028 12.952 1.00 0.89 C ATOM 1774 C LYS B 18 1.490 20.123 12.498 1.00 0.94 C ATOM 1775 O LYS B 18 1.529 21.197 13.095 1.00 1.25 O ATOM 1776 CB LYS B 18 1.094 18.112 14.043 1.00 0.93 C ATOM 1777 CG LYS B 18 1.301 18.695 15.454 1.00 1.48 C ATOM 1778 CD LYS B 18 2.409 19.759 15.575 1.00 2.90 C ATOM 1779 CE LYS B 18 3.083 19.774 16.952 1.00 3.73 C ATOM 1780 NZ LYS B 18 3.984 18.611 17.126 1.00 4.15 N ATOM 0 H LYS B 18 0.295 17.170 12.004 1.00 0.79 H new ATOM 0 HA LYS B 18 -0.356 19.583 13.342 1.00 0.89 H new ATOM 0 HB2 LYS B 18 0.447 17.240 14.135 1.00 0.93 H new ATOM 0 HB3 LYS B 18 2.060 17.756 13.686 1.00 0.93 H new ATOM 0 HG2 LYS B 18 0.361 19.134 15.788 1.00 1.48 H new ATOM 0 HG3 LYS B 18 1.531 17.877 16.136 1.00 1.48 H new ATOM 0 HD2 LYS B 18 3.164 19.577 14.810 1.00 2.90 H new ATOM 0 HD3 LYS B 18 1.983 20.742 15.375 1.00 2.90 H new ATOM 0 HE2 LYS B 18 3.651 20.697 17.071 1.00 3.73 H new ATOM 0 HE3 LYS B 18 2.321 19.766 17.732 1.00 3.73 H new ATOM 0 HZ1 LYS B 18 4.632 18.789 17.920 1.00 4.15 H new ATOM 0 HZ2 LYS B 18 3.419 17.761 17.324 1.00 4.15 H new ATOM 0 HZ3 LYS B 18 4.535 18.465 16.256 1.00 4.15 H new ATOM 1794 N TYR B 19 2.322 19.851 11.487 1.00 0.71 N ATOM 1795 CA TYR B 19 3.394 20.762 11.040 1.00 0.72 C ATOM 1796 C TYR B 19 3.071 21.435 9.694 1.00 0.83 C ATOM 1797 O TYR B 19 3.339 22.619 9.524 1.00 1.42 O ATOM 1798 CB TYR B 19 4.732 20.015 11.005 1.00 0.70 C ATOM 1799 CG TYR B 19 5.093 19.292 12.288 1.00 0.71 C ATOM 1800 CD1 TYR B 19 4.580 18.005 12.487 1.00 2.07 C ATOM 1801 CD2 TYR B 19 5.920 19.863 13.276 1.00 1.78 C ATOM 1802 CE1 TYR B 19 4.895 17.260 13.633 1.00 2.30 C ATOM 1803 CE2 TYR B 19 6.241 19.128 14.438 1.00 1.68 C ATOM 1804 CZ TYR B 19 5.741 17.816 14.605 1.00 1.03 C ATOM 1805 OH TYR B 19 6.025 17.093 15.721 1.00 1.29 O ATOM 0 H TYR B 19 2.274 18.986 10.948 1.00 0.71 H new ATOM 0 HA TYR B 19 3.471 21.574 11.763 1.00 0.72 H new ATOM 0 HB2 TYR B 19 4.706 19.290 10.192 1.00 0.70 H new ATOM 0 HB3 TYR B 19 5.523 20.727 10.771 1.00 0.70 H new ATOM 0 HD1 TYR B 19 3.927 17.576 11.741 1.00 2.07 H new ATOM 0 HD2 TYR B 19 6.308 20.862 13.144 1.00 1.78 H new ATOM 0 HE1 TYR B 19 4.490 16.268 13.766 1.00 2.30 H new ATOM 0 HE2 TYR B 19 6.868 19.568 15.199 1.00 1.68 H new ATOM 0 HH TYR B 19 6.000 16.137 15.507 1.00 1.29 H new ATOM 1815 N SER B 20 2.386 20.718 8.798 1.00 0.76 N ATOM 1816 CA SER B 20 1.611 21.327 7.701 1.00 0.74 C ATOM 1817 C SER B 20 0.680 22.438 8.227 1.00 0.90 C ATOM 1818 O SER B 20 0.701 23.565 7.741 1.00 1.47 O ATOM 1819 CB SER B 20 0.808 20.206 7.024 1.00 0.80 C ATOM 1820 OG SER B 20 0.112 20.646 5.881 1.00 2.34 O ATOM 0 H SER B 20 2.350 19.699 8.809 1.00 0.76 H new ATOM 0 HA SER B 20 2.282 21.798 6.982 1.00 0.74 H new ATOM 0 HB2 SER B 20 1.485 19.399 6.743 1.00 0.80 H new ATOM 0 HB3 SER B 20 0.097 19.792 7.739 1.00 0.80 H new ATOM 0 HG SER B 20 0.753 20.875 5.176 1.00 2.34 H new ATOM 1826 N GLY B 21 -0.051 22.178 9.322 1.00 0.88 N ATOM 1827 CA GLY B 21 -1.004 23.109 9.947 1.00 1.22 C ATOM 1828 C GLY B 21 -0.387 24.300 10.691 1.00 1.50 C ATOM 1829 O GLY B 21 -1.123 25.038 11.346 1.00 1.89 O ATOM 0 H GLY B 21 0.007 21.286 9.813 1.00 0.88 H new ATOM 0 HA2 GLY B 21 -1.668 23.494 9.172 1.00 1.22 H new ATOM 0 HA3 GLY B 21 -1.623 22.549 10.648 1.00 1.22 H new ATOM 1832 N ARG B 22 0.934 24.492 10.603 1.00 1.63 N ATOM 1833 CA ARG B 22 1.628 25.742 10.976 1.00 2.00 C ATOM 1834 C ARG B 22 1.921 26.661 9.782 1.00 2.43 C ATOM 1835 O ARG B 22 2.337 27.798 10.001 1.00 3.23 O ATOM 1836 CB ARG B 22 2.958 25.395 11.653 1.00 2.10 C ATOM 1837 CG ARG B 22 2.758 25.080 13.140 1.00 2.11 C ATOM 1838 CD ARG B 22 3.713 23.979 13.594 1.00 2.20 C ATOM 1839 NE ARG B 22 5.122 24.226 13.241 1.00 2.46 N ATOM 1840 CZ ARG B 22 6.025 24.974 13.850 1.00 3.15 C ATOM 1841 NH1 ARG B 22 5.700 25.822 14.803 1.00 3.74 N ATOM 1842 NH2 ARG B 22 7.282 24.875 13.497 1.00 4.14 N ATOM 0 H ARG B 22 1.570 23.770 10.264 1.00 1.63 H new ATOM 0 HA ARG B 22 0.958 26.281 11.646 1.00 2.00 H new ATOM 0 HB2 ARG B 22 3.410 24.537 11.155 1.00 2.10 H new ATOM 0 HB3 ARG B 22 3.652 26.228 11.545 1.00 2.10 H new ATOM 0 HG2 ARG B 22 2.925 25.980 13.733 1.00 2.11 H new ATOM 0 HG3 ARG B 22 1.728 24.769 13.315 1.00 2.11 H new ATOM 0 HD2 ARG B 22 3.634 23.867 14.675 1.00 2.20 H new ATOM 0 HD3 ARG B 22 3.398 23.034 13.152 1.00 2.20 H new ATOM 0 HE ARG B 22 5.449 23.748 12.401 1.00 2.46 H new ATOM 0 HH11 ARG B 22 4.726 25.916 15.092 1.00 3.74 H new ATOM 0 HH12 ARG B 22 6.422 26.385 15.253 1.00 3.74 H new ATOM 0 HH21 ARG B 22 7.555 24.226 12.759 1.00 4.14 H new ATOM 0 HH22 ARG B 22 7.988 25.447 13.960 1.00 4.14 H new ATOM 1856 N GLU B 23 1.782 26.161 8.559 1.00 2.16 N ATOM 1857 CA GLU B 23 2.243 26.817 7.333 1.00 2.74 C ATOM 1858 C GLU B 23 1.070 26.998 6.346 1.00 2.33 C ATOM 1859 O GLU B 23 -0.092 27.054 6.754 1.00 2.50 O ATOM 1860 CB GLU B 23 3.450 26.031 6.761 1.00 3.51 C ATOM 1861 CG GLU B 23 4.537 25.834 7.837 1.00 4.50 C ATOM 1862 CD GLU B 23 5.915 25.465 7.301 1.00 5.65 C ATOM 1863 OE1 GLU B 23 6.068 24.483 6.543 1.00 6.73 O ATOM 1864 OE2 GLU B 23 6.894 26.111 7.737 1.00 5.99 O ATOM 0 H GLU B 23 1.333 25.262 8.384 1.00 2.16 H new ATOM 0 HA GLU B 23 2.599 27.826 7.540 1.00 2.74 H new ATOM 0 HB2 GLU B 23 3.116 25.061 6.393 1.00 3.51 H new ATOM 0 HB3 GLU B 23 3.868 26.568 5.910 1.00 3.51 H new ATOM 0 HG2 GLU B 23 4.624 26.753 8.417 1.00 4.50 H new ATOM 0 HG3 GLU B 23 4.210 25.053 8.524 1.00 4.50 H new ATOM 1871 N GLY B 24 1.361 27.124 5.044 1.00 2.85 N ATOM 1872 CA GLY B 24 0.339 27.191 3.993 1.00 2.77 C ATOM 1873 C GLY B 24 -0.076 25.799 3.516 1.00 2.36 C ATOM 1874 O GLY B 24 0.232 24.796 4.151 1.00 3.29 O ATOM 0 H GLY B 24 2.316 27.182 4.690 1.00 2.85 H new ATOM 0 HA2 GLY B 24 -0.535 27.722 4.369 1.00 2.77 H new ATOM 0 HA3 GLY B 24 0.722 27.765 3.149 1.00 2.77 H new ATOM 1877 N SER B 25 -0.751 25.766 2.364 1.00 2.43 N ATOM 1878 CA SER B 25 -0.717 24.622 1.434 1.00 2.60 C ATOM 1879 C SER B 25 -1.012 23.262 2.097 1.00 2.60 C ATOM 1880 O SER B 25 -0.216 22.339 2.011 1.00 3.15 O ATOM 1881 CB SER B 25 0.637 24.632 0.706 1.00 2.84 C ATOM 1882 OG SER B 25 0.910 25.915 0.158 1.00 4.20 O ATOM 0 H SER B 25 -1.341 26.534 2.044 1.00 2.43 H new ATOM 0 HA SER B 25 -1.530 24.744 0.718 1.00 2.60 H new ATOM 0 HB2 SER B 25 1.430 24.353 1.400 1.00 2.84 H new ATOM 0 HB3 SER B 25 0.632 23.886 -0.089 1.00 2.84 H new ATOM 0 HG SER B 25 1.682 25.857 -0.442 1.00 4.20 H new ATOM 1888 N LYS B 26 -2.137 23.133 2.813 1.00 2.29 N ATOM 1889 CA LYS B 26 -2.283 22.254 3.993 1.00 2.17 C ATOM 1890 C LYS B 26 -2.295 20.717 3.770 1.00 1.81 C ATOM 1891 O LYS B 26 -2.802 19.976 4.619 1.00 2.08 O ATOM 1892 CB LYS B 26 -3.506 22.744 4.794 1.00 2.45 C ATOM 1893 CG LYS B 26 -4.814 22.651 3.987 1.00 2.92 C ATOM 1894 CD LYS B 26 -6.042 23.001 4.829 1.00 2.48 C ATOM 1895 CE LYS B 26 -6.335 21.888 5.843 1.00 1.58 C ATOM 1896 NZ LYS B 26 -7.665 22.070 6.459 1.00 2.21 N ATOM 0 H LYS B 26 -2.991 23.644 2.588 1.00 2.29 H new ATOM 0 HA LYS B 26 -1.353 22.356 4.552 1.00 2.17 H new ATOM 0 HB2 LYS B 26 -3.601 22.152 5.704 1.00 2.45 H new ATOM 0 HB3 LYS B 26 -3.345 23.777 5.101 1.00 2.45 H new ATOM 0 HG2 LYS B 26 -4.759 23.324 3.131 1.00 2.92 H new ATOM 0 HG3 LYS B 26 -4.923 21.641 3.592 1.00 2.92 H new ATOM 0 HD2 LYS B 26 -5.875 23.943 5.352 1.00 2.48 H new ATOM 0 HD3 LYS B 26 -6.906 23.146 4.180 1.00 2.48 H new ATOM 0 HE2 LYS B 26 -6.289 20.918 5.347 1.00 1.58 H new ATOM 0 HE3 LYS B 26 -5.568 21.886 6.618 1.00 1.58 H new ATOM 0 HZ1 LYS B 26 -7.897 21.237 7.037 1.00 2.21 H new ATOM 0 HZ2 LYS B 26 -7.655 22.918 7.062 1.00 2.21 H new ATOM 0 HZ3 LYS B 26 -8.381 22.184 5.713 1.00 2.21 H new ATOM 1910 N LEU B 27 -1.785 20.231 2.635 1.00 1.52 N ATOM 1911 CA LEU B 27 -1.411 18.825 2.400 1.00 1.22 C ATOM 1912 C LEU B 27 0.085 18.634 2.081 1.00 1.04 C ATOM 1913 O LEU B 27 0.523 17.485 1.996 1.00 1.05 O ATOM 1914 CB LEU B 27 -2.295 18.244 1.283 1.00 1.43 C ATOM 1915 CG LEU B 27 -3.780 18.123 1.671 1.00 1.86 C ATOM 1916 CD1 LEU B 27 -4.575 17.629 0.462 1.00 2.23 C ATOM 1917 CD2 LEU B 27 -4.014 17.161 2.846 1.00 2.55 C ATOM 0 H LEU B 27 -1.613 20.823 1.823 1.00 1.52 H new ATOM 0 HA LEU B 27 -1.582 18.281 3.329 1.00 1.22 H new ATOM 0 HB2 LEU B 27 -2.210 18.875 0.398 1.00 1.43 H new ATOM 0 HB3 LEU B 27 -1.918 17.259 1.009 1.00 1.43 H new ATOM 0 HG LEU B 27 -4.112 19.112 1.987 1.00 1.86 H new ATOM 0 HD11 LEU B 27 -5.628 17.541 0.730 1.00 2.23 H new ATOM 0 HD12 LEU B 27 -4.468 18.338 -0.359 1.00 2.23 H new ATOM 0 HD13 LEU B 27 -4.197 16.655 0.151 1.00 2.23 H new ATOM 0 HD21 LEU B 27 -5.079 17.117 3.074 1.00 2.55 H new ATOM 0 HD22 LEU B 27 -3.659 16.166 2.578 1.00 2.55 H new ATOM 0 HD23 LEU B 27 -3.470 17.517 3.721 1.00 2.55 H new ATOM 1929 N THR B 28 0.859 19.720 1.953 1.00 1.15 N ATOM 1930 CA THR B 28 2.327 19.748 1.958 1.00 1.01 C ATOM 1931 C THR B 28 2.839 20.292 3.300 1.00 1.04 C ATOM 1932 O THR B 28 2.050 20.611 4.193 1.00 1.24 O ATOM 1933 CB THR B 28 2.853 20.605 0.791 1.00 0.99 C ATOM 1934 OG1 THR B 28 2.646 21.966 1.072 1.00 1.20 O ATOM 1935 CG2 THR B 28 2.194 20.299 -0.553 1.00 0.92 C ATOM 0 H THR B 28 0.457 20.650 1.837 1.00 1.15 H new ATOM 0 HA THR B 28 2.698 18.731 1.829 1.00 1.01 H new ATOM 0 HB THR B 28 3.912 20.361 0.701 1.00 0.99 H new ATOM 0 HG1 THR B 28 2.535 22.460 0.233 1.00 1.20 H new ATOM 0 HG21 THR B 28 2.619 20.944 -1.322 1.00 0.92 H new ATOM 0 HG22 THR B 28 2.371 19.256 -0.816 1.00 0.92 H new ATOM 0 HG23 THR B 28 1.121 20.478 -0.481 1.00 0.92 H new ATOM 1943 N LEU B 29 4.151 20.460 3.448 1.00 0.89 N ATOM 1944 CA LEU B 29 4.819 21.240 4.509 1.00 0.88 C ATOM 1945 C LEU B 29 6.228 21.627 4.046 1.00 0.82 C ATOM 1946 O LEU B 29 6.699 21.095 3.049 1.00 0.82 O ATOM 1947 CB LEU B 29 4.815 20.487 5.864 1.00 0.89 C ATOM 1948 CG LEU B 29 5.910 19.417 6.091 1.00 0.76 C ATOM 1949 CD1 LEU B 29 5.718 18.786 7.475 1.00 0.89 C ATOM 1950 CD2 LEU B 29 5.923 18.309 5.035 1.00 0.75 C ATOM 0 H LEU B 29 4.819 20.038 2.803 1.00 0.89 H new ATOM 0 HA LEU B 29 4.259 22.158 4.686 1.00 0.88 H new ATOM 0 HB2 LEU B 29 4.898 21.227 6.660 1.00 0.89 H new ATOM 0 HB3 LEU B 29 3.844 20.004 5.977 1.00 0.89 H new ATOM 0 HG LEU B 29 6.867 19.933 6.014 1.00 0.76 H new ATOM 0 HD11 LEU B 29 6.487 18.031 7.641 1.00 0.89 H new ATOM 0 HD12 LEU B 29 5.796 19.558 8.241 1.00 0.89 H new ATOM 0 HD13 LEU B 29 4.734 18.320 7.529 1.00 0.89 H new ATOM 0 HD21 LEU B 29 6.717 17.598 5.263 1.00 0.75 H new ATOM 0 HD22 LEU B 29 4.963 17.793 5.037 1.00 0.75 H new ATOM 0 HD23 LEU B 29 6.098 18.746 4.052 1.00 0.75 H new ATOM 1962 N SER B 30 6.946 22.508 4.726 1.00 0.83 N ATOM 1963 CA SER B 30 8.333 22.802 4.316 1.00 0.86 C ATOM 1964 C SER B 30 9.320 21.653 4.632 1.00 0.89 C ATOM 1965 O SER B 30 9.196 20.967 5.654 1.00 0.87 O ATOM 1966 CB SER B 30 8.799 24.119 4.937 1.00 0.94 C ATOM 1967 OG SER B 30 8.694 24.072 6.344 1.00 1.65 O ATOM 0 H SER B 30 6.615 23.024 5.541 1.00 0.83 H new ATOM 0 HA SER B 30 8.329 22.900 3.230 1.00 0.86 H new ATOM 0 HB2 SER B 30 9.832 24.316 4.651 1.00 0.94 H new ATOM 0 HB3 SER B 30 8.198 24.942 4.550 1.00 0.94 H new ATOM 0 HG SER B 30 7.750 24.002 6.599 1.00 1.65 H new ATOM 1973 N ARG B 31 10.381 21.460 3.819 1.00 1.01 N ATOM 1974 CA ARG B 31 11.495 20.533 4.166 1.00 1.02 C ATOM 1975 C ARG B 31 12.130 20.860 5.531 1.00 0.92 C ATOM 1976 O ARG B 31 12.701 20.006 6.205 1.00 0.98 O ATOM 1977 CB ARG B 31 12.625 20.461 3.113 1.00 1.28 C ATOM 1978 CG ARG B 31 12.362 21.019 1.709 1.00 1.33 C ATOM 1979 CD ARG B 31 13.380 20.498 0.677 1.00 1.10 C ATOM 1980 NE ARG B 31 13.257 19.065 0.345 1.00 1.71 N ATOM 1981 CZ ARG B 31 12.519 18.483 -0.602 1.00 2.20 C ATOM 1982 NH1 ARG B 31 11.825 19.138 -1.508 1.00 2.57 N ATOM 1983 NH2 ARG B 31 12.451 17.170 -0.646 1.00 3.06 N ATOM 0 H ARG B 31 10.495 21.929 2.920 1.00 1.01 H new ATOM 0 HA ARG B 31 11.006 19.559 4.200 1.00 1.02 H new ATOM 0 HB2 ARG B 31 13.490 20.985 3.520 1.00 1.28 H new ATOM 0 HB3 ARG B 31 12.909 19.414 3.004 1.00 1.28 H new ATOM 0 HG2 ARG B 31 11.355 20.746 1.394 1.00 1.33 H new ATOM 0 HG3 ARG B 31 12.402 22.108 1.739 1.00 1.33 H new ATOM 0 HD2 ARG B 31 13.274 21.078 -0.240 1.00 1.10 H new ATOM 0 HD3 ARG B 31 14.385 20.682 1.056 1.00 1.10 H new ATOM 0 HE ARG B 31 13.813 18.432 0.919 1.00 1.71 H new ATOM 0 HH11 ARG B 31 11.830 20.158 -1.515 1.00 2.57 H new ATOM 0 HH12 ARG B 31 11.282 18.626 -2.203 1.00 2.57 H new ATOM 0 HH21 ARG B 31 12.959 16.610 0.039 1.00 3.06 H new ATOM 0 HH22 ARG B 31 11.890 16.712 -1.365 1.00 3.06 H new ATOM 1997 N LYS B 32 11.997 22.116 5.943 1.00 0.94 N ATOM 1998 CA LYS B 32 12.360 22.688 7.226 1.00 1.00 C ATOM 1999 C LYS B 32 11.481 22.130 8.356 1.00 0.97 C ATOM 2000 O LYS B 32 12.043 21.608 9.319 1.00 1.04 O ATOM 2001 CB LYS B 32 12.291 24.202 6.979 1.00 1.44 C ATOM 2002 CG LYS B 32 12.687 25.147 8.115 1.00 2.20 C ATOM 2003 CD LYS B 32 11.537 25.485 9.062 1.00 3.92 C ATOM 2004 CE LYS B 32 10.339 26.130 8.344 1.00 5.68 C ATOM 2005 NZ LYS B 32 9.154 26.231 9.216 1.00 7.72 N ATOM 0 H LYS B 32 11.594 22.822 5.326 1.00 0.94 H new ATOM 0 HA LYS B 32 13.356 22.425 7.582 1.00 1.00 H new ATOM 0 HB2 LYS B 32 12.928 24.427 6.124 1.00 1.44 H new ATOM 0 HB3 LYS B 32 11.269 24.444 6.688 1.00 1.44 H new ATOM 0 HG2 LYS B 32 13.496 24.693 8.688 1.00 2.20 H new ATOM 0 HG3 LYS B 32 13.078 26.071 7.688 1.00 2.20 H new ATOM 0 HD2 LYS B 32 11.207 24.575 9.563 1.00 3.92 H new ATOM 0 HD3 LYS B 32 11.898 26.162 9.836 1.00 3.92 H new ATOM 0 HE2 LYS B 32 10.618 27.125 7.997 1.00 5.68 H new ATOM 0 HE3 LYS B 32 10.088 25.543 7.460 1.00 5.68 H new ATOM 0 HZ1 LYS B 32 8.322 26.478 8.643 1.00 7.72 H new ATOM 0 HZ2 LYS B 32 8.991 25.318 9.688 1.00 7.72 H new ATOM 0 HZ3 LYS B 32 9.312 26.968 9.933 1.00 7.72 H new ATOM 2019 N GLU B 33 10.149 22.122 8.211 1.00 0.94 N ATOM 2020 CA GLU B 33 9.252 21.401 9.126 1.00 0.90 C ATOM 2021 C GLU B 33 9.452 19.881 9.070 1.00 0.72 C ATOM 2022 O GLU B 33 9.478 19.244 10.117 1.00 0.71 O ATOM 2023 CB GLU B 33 7.774 21.698 8.827 1.00 1.13 C ATOM 2024 CG GLU B 33 7.318 23.101 9.226 1.00 1.35 C ATOM 2025 CD GLU B 33 7.540 23.416 10.694 1.00 1.51 C ATOM 2026 OE1 GLU B 33 6.792 22.896 11.548 1.00 2.68 O ATOM 2027 OE2 GLU B 33 8.429 24.246 11.000 1.00 2.19 O ATOM 0 H GLU B 33 9.664 22.613 7.460 1.00 0.94 H new ATOM 0 HA GLU B 33 9.510 21.760 10.122 1.00 0.90 H new ATOM 0 HB2 GLU B 33 7.597 21.562 7.760 1.00 1.13 H new ATOM 0 HB3 GLU B 33 7.156 20.967 9.348 1.00 1.13 H new ATOM 0 HG2 GLU B 33 7.852 23.834 8.621 1.00 1.35 H new ATOM 0 HG3 GLU B 33 6.258 23.209 8.996 1.00 1.35 H new ATOM 2034 N LEU B 34 9.659 19.282 7.888 1.00 0.66 N ATOM 2035 CA LEU B 34 9.905 17.840 7.750 1.00 0.60 C ATOM 2036 C LEU B 34 11.090 17.378 8.611 1.00 0.57 C ATOM 2037 O LEU B 34 11.009 16.353 9.287 1.00 0.56 O ATOM 2038 CB LEU B 34 10.136 17.485 6.265 1.00 0.61 C ATOM 2039 CG LEU B 34 10.443 15.988 6.036 1.00 0.68 C ATOM 2040 CD1 LEU B 34 9.253 15.099 6.396 1.00 1.00 C ATOM 2041 CD2 LEU B 34 10.823 15.696 4.582 1.00 0.98 C ATOM 0 H LEU B 34 9.660 19.785 7.000 1.00 0.66 H new ATOM 0 HA LEU B 34 9.022 17.312 8.110 1.00 0.60 H new ATOM 0 HB2 LEU B 34 9.251 17.759 5.691 1.00 0.61 H new ATOM 0 HB3 LEU B 34 10.963 18.082 5.880 1.00 0.61 H new ATOM 0 HG LEU B 34 11.285 15.761 6.690 1.00 0.68 H new ATOM 0 HD11 LEU B 34 9.512 14.055 6.220 1.00 1.00 H new ATOM 0 HD12 LEU B 34 9.000 15.238 7.447 1.00 1.00 H new ATOM 0 HD13 LEU B 34 8.397 15.369 5.778 1.00 1.00 H new ATOM 0 HD21 LEU B 34 11.030 14.632 4.467 1.00 0.98 H new ATOM 0 HD22 LEU B 34 9.999 15.978 3.927 1.00 0.98 H new ATOM 0 HD23 LEU B 34 11.711 16.270 4.316 1.00 0.98 H new ATOM 2053 N LYS B 35 12.196 18.129 8.596 1.00 0.63 N ATOM 2054 CA LYS B 35 13.408 17.859 9.367 1.00 0.67 C ATOM 2055 C LYS B 35 13.102 17.867 10.873 1.00 0.69 C ATOM 2056 O LYS B 35 13.740 17.129 11.626 1.00 0.74 O ATOM 2057 CB LYS B 35 14.437 18.945 8.977 1.00 0.93 C ATOM 2058 CG LYS B 35 15.836 18.730 9.577 1.00 1.01 C ATOM 2059 CD LYS B 35 16.682 20.014 9.615 1.00 1.24 C ATOM 2060 CE LYS B 35 17.114 20.517 8.230 1.00 2.32 C ATOM 2061 NZ LYS B 35 17.860 21.800 8.335 1.00 3.22 N ATOM 0 H LYS B 35 12.272 18.971 8.025 1.00 0.63 H new ATOM 0 HA LYS B 35 13.810 16.870 9.145 1.00 0.67 H new ATOM 0 HB2 LYS B 35 14.521 18.977 7.891 1.00 0.93 H new ATOM 0 HB3 LYS B 35 14.062 19.917 9.297 1.00 0.93 H new ATOM 0 HG2 LYS B 35 15.734 18.340 10.590 1.00 1.01 H new ATOM 0 HG3 LYS B 35 16.362 17.973 8.995 1.00 1.01 H new ATOM 0 HD2 LYS B 35 16.112 20.798 10.114 1.00 1.24 H new ATOM 0 HD3 LYS B 35 17.571 19.833 10.219 1.00 1.24 H new ATOM 0 HE2 LYS B 35 17.740 19.767 7.746 1.00 2.32 H new ATOM 0 HE3 LYS B 35 16.236 20.654 7.599 1.00 2.32 H new ATOM 0 HZ1 LYS B 35 17.308 22.560 7.888 1.00 3.22 H new ATOM 0 HZ2 LYS B 35 18.017 22.029 9.337 1.00 3.22 H new ATOM 0 HZ3 LYS B 35 18.777 21.709 7.853 1.00 3.22 H new ATOM 2075 N GLU B 36 12.127 18.669 11.308 1.00 0.76 N ATOM 2076 CA GLU B 36 11.585 18.559 12.654 1.00 0.89 C ATOM 2077 C GLU B 36 10.707 17.304 12.825 1.00 0.85 C ATOM 2078 O GLU B 36 11.006 16.483 13.698 1.00 0.98 O ATOM 2079 CB GLU B 36 10.839 19.848 13.061 1.00 1.14 C ATOM 2080 CG GLU B 36 10.322 19.569 14.475 1.00 1.77 C ATOM 2081 CD GLU B 36 10.109 20.723 15.441 1.00 2.86 C ATOM 2082 OE1 GLU B 36 11.108 21.099 16.100 1.00 3.10 O ATOM 2083 OE2 GLU B 36 8.938 20.931 15.820 1.00 4.35 O ATOM 0 H GLU B 36 11.699 19.402 10.742 1.00 0.76 H new ATOM 0 HA GLU B 36 12.427 18.440 13.335 1.00 0.89 H new ATOM 0 HB2 GLU B 36 11.504 20.712 13.046 1.00 1.14 H new ATOM 0 HB3 GLU B 36 10.020 20.064 12.375 1.00 1.14 H new ATOM 0 HG2 GLU B 36 9.370 19.047 14.376 1.00 1.77 H new ATOM 0 HG3 GLU B 36 11.019 18.875 14.945 1.00 1.77 H new ATOM 2090 N LEU B 37 9.653 17.164 12.009 1.00 0.81 N ATOM 2091 CA LEU B 37 8.638 16.107 12.057 1.00 0.86 C ATOM 2092 C LEU B 37 9.292 14.739 12.234 1.00 0.92 C ATOM 2093 O LEU B 37 9.058 14.093 13.253 1.00 0.94 O ATOM 2094 CB LEU B 37 7.799 16.218 10.763 1.00 0.82 C ATOM 2095 CG LEU B 37 6.834 15.056 10.436 1.00 0.93 C ATOM 2096 CD1 LEU B 37 5.728 14.893 11.474 1.00 1.16 C ATOM 2097 CD2 LEU B 37 6.145 15.320 9.088 1.00 1.32 C ATOM 0 H LEU B 37 9.477 17.826 11.253 1.00 0.81 H new ATOM 0 HA LEU B 37 7.979 16.225 12.917 1.00 0.86 H new ATOM 0 HB2 LEU B 37 7.213 17.136 10.820 1.00 0.82 H new ATOM 0 HB3 LEU B 37 8.487 16.330 9.925 1.00 0.82 H new ATOM 0 HG LEU B 37 7.442 14.151 10.420 1.00 0.93 H new ATOM 0 HD11 LEU B 37 5.082 14.062 11.190 1.00 1.16 H new ATOM 0 HD12 LEU B 37 6.171 14.692 12.449 1.00 1.16 H new ATOM 0 HD13 LEU B 37 5.139 15.809 11.525 1.00 1.16 H new ATOM 0 HD21 LEU B 37 5.465 14.499 8.860 1.00 1.32 H new ATOM 0 HD22 LEU B 37 5.583 16.252 9.143 1.00 1.32 H new ATOM 0 HD23 LEU B 37 6.898 15.396 8.303 1.00 1.32 H new ATOM 2109 N ILE B 38 10.196 14.373 11.320 1.00 0.94 N ATOM 2110 CA ILE B 38 10.886 13.077 11.320 1.00 1.05 C ATOM 2111 C ILE B 38 11.693 12.801 12.597 1.00 1.16 C ATOM 2112 O ILE B 38 11.831 11.640 12.938 1.00 1.45 O ATOM 2113 CB ILE B 38 11.728 12.885 10.031 1.00 1.03 C ATOM 2114 CG1 ILE B 38 12.802 13.970 9.809 1.00 1.91 C ATOM 2115 CG2 ILE B 38 10.792 12.800 8.813 1.00 3.18 C ATOM 2116 CD1 ILE B 38 14.208 13.500 10.150 1.00 3.10 C ATOM 0 H ILE B 38 10.474 14.977 10.547 1.00 0.94 H new ATOM 0 HA ILE B 38 10.103 12.319 11.319 1.00 1.05 H new ATOM 0 HB ILE B 38 12.278 11.952 10.158 1.00 1.03 H new ATOM 0 HG12 ILE B 38 12.776 14.290 8.768 1.00 1.91 H new ATOM 0 HG13 ILE B 38 12.560 14.842 10.417 1.00 1.91 H new ATOM 0 HG21 ILE B 38 11.384 12.665 7.908 1.00 3.18 H new ATOM 0 HG22 ILE B 38 10.115 11.954 8.933 1.00 3.18 H new ATOM 0 HG23 ILE B 38 10.213 13.720 8.734 1.00 3.18 H new ATOM 0 HD11 ILE B 38 14.916 14.310 9.972 1.00 3.10 H new ATOM 0 HD12 ILE B 38 14.249 13.206 11.199 1.00 3.10 H new ATOM 0 HD13 ILE B 38 14.468 12.647 9.524 1.00 3.10 H new ATOM 2128 N LYS B 39 12.167 13.795 13.365 1.00 1.12 N ATOM 2129 CA LYS B 39 12.868 13.593 14.631 1.00 1.30 C ATOM 2130 C LYS B 39 11.955 13.674 15.878 1.00 1.45 C ATOM 2131 O LYS B 39 12.375 13.289 16.969 1.00 1.75 O ATOM 2132 CB LYS B 39 13.986 14.643 14.687 1.00 1.34 C ATOM 2133 CG LYS B 39 15.099 14.518 13.627 1.00 1.58 C ATOM 2134 CD LYS B 39 15.886 13.191 13.579 1.00 2.01 C ATOM 2135 CE LYS B 39 16.791 12.991 14.805 1.00 1.97 C ATOM 2136 NZ LYS B 39 17.739 11.860 14.629 1.00 2.68 N ATOM 0 H LYS B 39 12.069 14.779 13.113 1.00 1.12 H new ATOM 0 HA LYS B 39 13.264 12.578 14.659 1.00 1.30 H new ATOM 0 HB2 LYS B 39 13.533 15.630 14.592 1.00 1.34 H new ATOM 0 HB3 LYS B 39 14.447 14.598 15.674 1.00 1.34 H new ATOM 0 HG2 LYS B 39 14.651 14.680 12.647 1.00 1.58 H new ATOM 0 HG3 LYS B 39 15.811 15.327 13.789 1.00 1.58 H new ATOM 0 HD2 LYS B 39 15.184 12.360 13.512 1.00 2.01 H new ATOM 0 HD3 LYS B 39 16.495 13.168 12.676 1.00 2.01 H new ATOM 0 HE2 LYS B 39 17.352 13.906 14.993 1.00 1.97 H new ATOM 0 HE3 LYS B 39 16.173 12.810 15.684 1.00 1.97 H new ATOM 0 HZ1 LYS B 39 18.373 11.807 15.452 1.00 2.68 H new ATOM 0 HZ2 LYS B 39 17.207 10.971 14.544 1.00 2.68 H new ATOM 0 HZ3 LYS B 39 18.302 12.010 13.768 1.00 2.68 H new ATOM 2150 N LYS B 40 10.705 14.158 15.762 1.00 1.34 N ATOM 2151 CA LYS B 40 9.663 13.948 16.798 1.00 1.64 C ATOM 2152 C LYS B 40 8.936 12.607 16.619 1.00 1.76 C ATOM 2153 O LYS B 40 8.448 12.012 17.578 1.00 2.10 O ATOM 2154 CB LYS B 40 8.604 15.058 16.783 1.00 1.82 C ATOM 2155 CG LYS B 40 9.162 16.474 16.714 1.00 1.95 C ATOM 2156 CD LYS B 40 10.160 16.897 17.797 1.00 1.94 C ATOM 2157 CE LYS B 40 10.673 18.228 17.247 1.00 2.09 C ATOM 2158 NZ LYS B 40 11.235 19.237 18.170 1.00 2.36 N ATOM 0 H LYS B 40 10.386 14.700 14.959 1.00 1.34 H new ATOM 0 HA LYS B 40 10.196 13.957 17.749 1.00 1.64 H new ATOM 0 HB2 LYS B 40 7.945 14.900 15.929 1.00 1.82 H new ATOM 0 HB3 LYS B 40 7.991 14.968 17.680 1.00 1.82 H new ATOM 0 HG2 LYS B 40 9.645 16.598 15.745 1.00 1.95 H new ATOM 0 HG3 LYS B 40 8.322 17.168 16.742 1.00 1.95 H new ATOM 0 HD2 LYS B 40 9.683 17.013 18.770 1.00 1.94 H new ATOM 0 HD3 LYS B 40 10.962 16.169 17.921 1.00 1.94 H new ATOM 0 HE2 LYS B 40 11.441 18.000 16.508 1.00 2.09 H new ATOM 0 HE3 LYS B 40 9.847 18.699 16.714 1.00 2.09 H new ATOM 0 HZ1 LYS B 40 11.328 20.147 17.675 1.00 2.36 H new ATOM 0 HZ2 LYS B 40 10.602 19.350 18.987 1.00 2.36 H new ATOM 0 HZ3 LYS B 40 12.171 18.924 18.498 1.00 2.36 H new ATOM 2172 N GLU B 41 8.841 12.199 15.356 1.00 1.59 N ATOM 2173 CA GLU B 41 8.249 10.950 14.900 1.00 1.89 C ATOM 2174 C GLU B 41 9.173 9.762 15.116 1.00 1.71 C ATOM 2175 O GLU B 41 8.715 8.754 15.651 1.00 1.84 O ATOM 2176 CB GLU B 41 7.969 11.021 13.401 1.00 2.27 C ATOM 2177 CG GLU B 41 6.712 11.806 13.034 1.00 2.25 C ATOM 2178 CD GLU B 41 6.360 11.535 11.573 1.00 3.88 C ATOM 2179 OE1 GLU B 41 7.296 11.475 10.752 1.00 4.89 O ATOM 2180 OE2 GLU B 41 5.147 11.365 11.294 1.00 4.85 O ATOM 0 H GLU B 41 9.195 12.763 14.584 1.00 1.59 H new ATOM 0 HA GLU B 41 7.335 10.814 15.479 1.00 1.89 H new ATOM 0 HB2 GLU B 41 8.826 11.476 12.904 1.00 2.27 H new ATOM 0 HB3 GLU B 41 7.877 10.007 13.012 1.00 2.27 H new ATOM 0 HG2 GLU B 41 5.884 11.514 13.680 1.00 2.25 H new ATOM 0 HG3 GLU B 41 6.876 12.872 13.189 1.00 2.25 H new ATOM 2187 N LEU B 42 10.439 9.842 14.690 1.00 1.60 N ATOM 2188 CA LEU B 42 11.357 8.718 14.702 1.00 1.71 C ATOM 2189 C LEU B 42 12.592 9.040 15.552 1.00 1.67 C ATOM 2190 O LEU B 42 13.415 9.907 15.245 1.00 1.87 O ATOM 2191 CB LEU B 42 11.685 8.341 13.247 1.00 1.79 C ATOM 2192 CG LEU B 42 12.051 6.855 13.138 1.00 1.99 C ATOM 2193 CD1 LEU B 42 10.815 5.948 13.259 1.00 1.81 C ATOM 2194 CD2 LEU B 42 12.725 6.581 11.791 1.00 3.54 C ATOM 0 H LEU B 42 10.850 10.701 14.325 1.00 1.60 H new ATOM 0 HA LEU B 42 10.902 7.847 15.173 1.00 1.71 H new ATOM 0 HB2 LEU B 42 10.828 8.557 12.609 1.00 1.79 H new ATOM 0 HB3 LEU B 42 12.513 8.951 12.886 1.00 1.79 H new ATOM 0 HG LEU B 42 12.729 6.630 13.961 1.00 1.99 H new ATOM 0 HD11 LEU B 42 11.120 4.905 13.176 1.00 1.81 H new ATOM 0 HD12 LEU B 42 10.337 6.111 14.225 1.00 1.81 H new ATOM 0 HD13 LEU B 42 10.111 6.185 12.461 1.00 1.81 H new ATOM 0 HD21 LEU B 42 12.982 5.524 11.721 1.00 3.54 H new ATOM 0 HD22 LEU B 42 12.042 6.843 10.983 1.00 3.54 H new ATOM 0 HD23 LEU B 42 13.631 7.181 11.709 1.00 3.54 H new ATOM 2206 N CYS B 43 12.696 8.317 16.659 1.00 1.64 N ATOM 2207 CA CYS B 43 13.747 8.433 17.646 1.00 1.70 C ATOM 2208 C CYS B 43 14.762 7.313 17.404 1.00 2.08 C ATOM 2209 O CYS B 43 14.628 6.178 17.861 1.00 3.30 O ATOM 2210 CB CYS B 43 13.115 8.406 19.031 1.00 1.86 C ATOM 2211 SG CYS B 43 14.369 9.021 20.194 1.00 2.42 S ATOM 0 H CYS B 43 12.012 7.599 16.900 1.00 1.64 H new ATOM 0 HA CYS B 43 14.290 9.375 17.567 1.00 1.70 H new ATOM 0 HB2 CYS B 43 12.222 9.030 19.060 1.00 1.86 H new ATOM 0 HB3 CYS B 43 12.806 7.395 19.295 1.00 1.86 H new ATOM 0 HG CYS B 43 15.056 8.021 20.660 1.00 2.42 H new ATOM 2217 N LEU B 44 15.759 7.661 16.595 1.00 1.79 N ATOM 2218 CA LEU B 44 16.883 6.796 16.247 1.00 2.17 C ATOM 2219 C LEU B 44 18.230 7.511 16.277 1.00 2.57 C ATOM 2220 O LEU B 44 19.183 7.023 15.680 1.00 3.57 O ATOM 2221 CB LEU B 44 16.623 6.086 14.913 1.00 2.63 C ATOM 2222 CG LEU B 44 16.166 6.934 13.718 1.00 2.65 C ATOM 2223 CD1 LEU B 44 16.787 8.334 13.561 1.00 3.61 C ATOM 2224 CD2 LEU B 44 16.434 6.145 12.437 1.00 3.55 C ATOM 0 H LEU B 44 15.809 8.578 16.151 1.00 1.79 H new ATOM 0 HA LEU B 44 16.954 6.036 17.025 1.00 2.17 H new ATOM 0 HB2 LEU B 44 17.540 5.572 14.625 1.00 2.63 H new ATOM 0 HB3 LEU B 44 15.868 5.319 15.085 1.00 2.63 H new ATOM 0 HG LEU B 44 15.111 7.126 13.913 1.00 2.65 H new ATOM 0 HD11 LEU B 44 16.373 8.818 12.677 1.00 3.61 H new ATOM 0 HD12 LEU B 44 16.560 8.933 14.443 1.00 3.61 H new ATOM 0 HD13 LEU B 44 17.868 8.243 13.452 1.00 3.61 H new ATOM 0 HD21 LEU B 44 16.116 6.731 11.575 1.00 3.55 H new ATOM 0 HD22 LEU B 44 17.500 5.932 12.357 1.00 3.55 H new ATOM 0 HD23 LEU B 44 15.878 5.208 12.464 1.00 3.55 H new ATOM 2236 N GLY B 45 18.315 8.633 16.990 1.00 2.33 N ATOM 2237 CA GLY B 45 19.597 9.290 17.282 1.00 2.77 C ATOM 2238 C GLY B 45 20.495 8.413 18.154 1.00 2.42 C ATOM 2239 O GLY B 45 21.707 8.390 17.970 1.00 3.00 O ATOM 0 H GLY B 45 17.505 9.113 17.381 1.00 2.33 H new ATOM 0 HA2 GLY B 45 20.109 9.520 16.348 1.00 2.77 H new ATOM 0 HA3 GLY B 45 19.413 10.238 17.787 1.00 2.77 H new ATOM 2242 N GLU B 46 19.879 7.586 18.998 1.00 2.34 N ATOM 2243 CA GLU B 46 20.446 6.443 19.716 1.00 2.79 C ATOM 2244 C GLU B 46 20.910 5.283 18.803 1.00 2.58 C ATOM 2245 O GLU B 46 21.347 4.248 19.302 1.00 3.59 O ATOM 2246 CB GLU B 46 19.420 5.944 20.760 1.00 3.66 C ATOM 2247 CG GLU B 46 18.104 5.367 20.192 1.00 3.78 C ATOM 2248 CD GLU B 46 16.981 6.397 20.057 1.00 4.05 C ATOM 2249 OE1 GLU B 46 17.189 7.423 19.368 1.00 4.25 O ATOM 2250 OE2 GLU B 46 15.887 6.149 20.605 1.00 4.89 O ATOM 0 H GLU B 46 18.890 7.707 19.215 1.00 2.34 H new ATOM 0 HA GLU B 46 21.354 6.795 20.206 1.00 2.79 H new ATOM 0 HB2 GLU B 46 19.896 5.177 21.371 1.00 3.66 H new ATOM 0 HB3 GLU B 46 19.174 6.773 21.424 1.00 3.66 H new ATOM 0 HG2 GLU B 46 18.303 4.931 19.213 1.00 3.78 H new ATOM 0 HG3 GLU B 46 17.765 4.558 20.839 1.00 3.78 H new ATOM 2257 N MET B 47 20.808 5.415 17.472 1.00 1.85 N ATOM 2258 CA MET B 47 21.290 4.421 16.506 1.00 2.11 C ATOM 2259 C MET B 47 22.039 5.054 15.316 1.00 1.70 C ATOM 2260 O MET B 47 23.216 4.786 15.118 1.00 2.09 O ATOM 2261 CB MET B 47 20.132 3.570 15.988 1.00 2.90 C ATOM 2262 CG MET B 47 19.456 2.672 17.019 1.00 3.56 C ATOM 2263 SD MET B 47 18.118 1.715 16.261 1.00 4.01 S ATOM 2264 CE MET B 47 16.935 3.076 16.072 1.00 2.88 C ATOM 0 H MET B 47 20.381 6.230 17.031 1.00 1.85 H new ATOM 0 HA MET B 47 22.001 3.793 17.042 1.00 2.11 H new ATOM 0 HB2 MET B 47 19.379 4.234 15.563 1.00 2.90 H new ATOM 0 HB3 MET B 47 20.501 2.945 15.175 1.00 2.90 H new ATOM 0 HG2 MET B 47 20.191 1.995 17.456 1.00 3.56 H new ATOM 0 HG3 MET B 47 19.059 3.280 17.832 1.00 3.56 H new ATOM 0 HE1 MET B 47 15.995 2.811 16.557 1.00 2.88 H new ATOM 0 HE2 MET B 47 17.340 3.977 16.533 1.00 2.88 H new ATOM 0 HE3 MET B 47 16.758 3.259 15.012 1.00 2.88 H new ATOM 2274 N LYS B 48 21.340 5.814 14.464 1.00 1.62 N ATOM 2275 CA LYS B 48 21.831 6.481 13.258 1.00 2.00 C ATOM 2276 C LYS B 48 21.693 8.014 13.358 1.00 2.52 C ATOM 2277 O LYS B 48 20.589 8.522 13.513 1.00 3.11 O ATOM 2278 CB LYS B 48 20.962 6.008 12.077 1.00 2.32 C ATOM 2279 CG LYS B 48 21.264 4.608 11.534 1.00 2.69 C ATOM 2280 CD LYS B 48 20.822 3.392 12.359 1.00 2.74 C ATOM 2281 CE LYS B 48 19.326 3.479 12.700 1.00 3.61 C ATOM 2282 NZ LYS B 48 18.761 2.179 13.141 1.00 4.74 N ATOM 0 H LYS B 48 20.346 5.990 14.612 1.00 1.62 H new ATOM 0 HA LYS B 48 22.885 6.235 13.127 1.00 2.00 H new ATOM 0 HB2 LYS B 48 19.917 6.037 12.387 1.00 2.32 H new ATOM 0 HB3 LYS B 48 21.073 6.723 11.262 1.00 2.32 H new ATOM 0 HG2 LYS B 48 20.802 4.527 10.550 1.00 2.69 H new ATOM 0 HG3 LYS B 48 22.342 4.535 11.387 1.00 2.69 H new ATOM 0 HD2 LYS B 48 21.020 2.477 11.801 1.00 2.74 H new ATOM 0 HD3 LYS B 48 21.407 3.338 13.277 1.00 2.74 H new ATOM 0 HE2 LYS B 48 19.180 4.219 13.486 1.00 3.61 H new ATOM 0 HE3 LYS B 48 18.778 3.830 11.826 1.00 3.61 H new ATOM 0 HZ1 LYS B 48 17.995 1.897 12.496 1.00 4.74 H new ATOM 0 HZ2 LYS B 48 19.507 1.455 13.131 1.00 4.74 H new ATOM 0 HZ3 LYS B 48 18.384 2.274 14.106 1.00 4.74 H new ATOM 2296 N GLU B 49 22.791 8.733 13.122 1.00 2.87 N ATOM 2297 CA GLU B 49 22.795 10.145 12.692 1.00 3.51 C ATOM 2298 C GLU B 49 23.874 10.272 11.608 1.00 2.99 C ATOM 2299 O GLU B 49 23.599 10.627 10.463 1.00 3.50 O ATOM 2300 CB GLU B 49 23.104 11.117 13.849 1.00 4.88 C ATOM 2301 CG GLU B 49 22.139 11.083 15.038 1.00 5.82 C ATOM 2302 CD GLU B 49 20.767 11.736 14.822 1.00 7.25 C ATOM 2303 OE1 GLU B 49 20.287 11.911 13.679 1.00 7.54 O ATOM 2304 OE2 GLU B 49 20.101 12.025 15.841 1.00 8.53 O ATOM 0 H GLU B 49 23.729 8.346 13.225 1.00 2.87 H new ATOM 0 HA GLU B 49 21.805 10.413 12.324 1.00 3.51 H new ATOM 0 HB2 GLU B 49 24.108 10.904 14.216 1.00 4.88 H new ATOM 0 HB3 GLU B 49 23.120 12.131 13.449 1.00 4.88 H new ATOM 0 HG2 GLU B 49 21.981 10.042 15.320 1.00 5.82 H new ATOM 0 HG3 GLU B 49 22.621 11.573 15.884 1.00 5.82 H new ATOM 2311 N SER B 50 25.094 9.833 11.929 1.00 2.81 N ATOM 2312 CA SER B 50 26.174 9.590 10.974 1.00 2.71 C ATOM 2313 C SER B 50 25.691 8.768 9.765 1.00 2.57 C ATOM 2314 O SER B 50 25.208 7.647 9.933 1.00 3.42 O ATOM 2315 CB SER B 50 27.310 8.839 11.686 1.00 3.40 C ATOM 2316 OG SER B 50 27.626 9.431 12.941 1.00 4.63 O ATOM 0 H SER B 50 25.364 9.631 12.892 1.00 2.81 H new ATOM 0 HA SER B 50 26.526 10.552 10.602 1.00 2.71 H new ATOM 0 HB2 SER B 50 27.020 7.799 11.837 1.00 3.40 H new ATOM 0 HB3 SER B 50 28.197 8.834 11.052 1.00 3.40 H new ATOM 0 HG SER B 50 28.351 8.927 13.367 1.00 4.63 H new ATOM 2322 N SER B 51 25.800 9.329 8.558 1.00 2.54 N ATOM 2323 CA SER B 51 25.406 8.727 7.267 1.00 2.57 C ATOM 2324 C SER B 51 23.900 8.787 6.957 1.00 2.13 C ATOM 2325 O SER B 51 23.523 8.444 5.837 1.00 2.42 O ATOM 2326 CB SER B 51 25.911 7.284 7.105 1.00 3.15 C ATOM 2327 OG SER B 51 25.858 6.906 5.739 1.00 2.79 O ATOM 0 H SER B 51 26.186 10.266 8.441 1.00 2.54 H new ATOM 0 HA SER B 51 25.902 9.364 6.534 1.00 2.57 H new ATOM 0 HB2 SER B 51 26.933 7.203 7.475 1.00 3.15 H new ATOM 0 HB3 SER B 51 25.301 6.607 7.703 1.00 3.15 H new ATOM 0 HG SER B 51 25.069 7.307 5.319 1.00 2.79 H new ATOM 2333 N ILE B 52 23.043 9.256 7.876 1.00 1.76 N ATOM 2334 CA ILE B 52 21.665 9.686 7.532 1.00 1.49 C ATOM 2335 C ILE B 52 21.510 11.211 7.518 1.00 1.15 C ATOM 2336 O ILE B 52 20.603 11.740 6.879 1.00 1.21 O ATOM 2337 CB ILE B 52 20.583 8.938 8.347 1.00 1.60 C ATOM 2338 CG1 ILE B 52 20.497 9.221 9.862 1.00 1.79 C ATOM 2339 CG2 ILE B 52 20.762 7.419 8.138 1.00 2.16 C ATOM 2340 CD1 ILE B 52 19.934 10.597 10.237 1.00 1.79 C ATOM 0 H ILE B 52 23.273 9.350 8.865 1.00 1.76 H new ATOM 0 HA ILE B 52 21.488 9.381 6.501 1.00 1.49 H new ATOM 0 HB ILE B 52 19.645 9.330 7.953 1.00 1.60 H new ATOM 0 HG12 ILE B 52 19.876 8.454 10.324 1.00 1.79 H new ATOM 0 HG13 ILE B 52 21.495 9.125 10.291 1.00 1.79 H new ATOM 0 HG21 ILE B 52 20.004 6.881 8.708 1.00 2.16 H new ATOM 0 HG22 ILE B 52 20.655 7.182 7.079 1.00 2.16 H new ATOM 0 HG23 ILE B 52 21.753 7.119 8.479 1.00 2.16 H new ATOM 0 HD11 ILE B 52 19.914 10.699 11.322 1.00 1.79 H new ATOM 0 HD12 ILE B 52 20.565 11.377 9.811 1.00 1.79 H new ATOM 0 HD13 ILE B 52 18.922 10.695 9.845 1.00 1.79 H new ATOM 2352 N ASP B 53 22.454 11.924 8.137 1.00 1.15 N ATOM 2353 CA ASP B 53 22.674 13.372 8.039 1.00 1.18 C ATOM 2354 C ASP B 53 22.853 13.885 6.592 1.00 1.09 C ATOM 2355 O ASP B 53 22.646 15.064 6.312 1.00 1.18 O ATOM 2356 CB ASP B 53 23.890 13.697 8.920 1.00 1.50 C ATOM 2357 CG ASP B 53 24.310 15.165 8.859 1.00 2.07 C ATOM 2358 OD1 ASP B 53 23.443 16.063 8.977 1.00 2.70 O ATOM 2359 OD2 ASP B 53 25.501 15.415 8.561 1.00 2.99 O ATOM 0 H ASP B 53 23.128 11.479 8.760 1.00 1.15 H new ATOM 0 HA ASP B 53 21.782 13.893 8.387 1.00 1.18 H new ATOM 0 HB2 ASP B 53 23.661 13.435 9.953 1.00 1.50 H new ATOM 0 HB3 ASP B 53 24.729 13.074 8.612 1.00 1.50 H new ATOM 2364 N ASP B 54 23.195 13.014 5.638 1.00 1.06 N ATOM 2365 CA ASP B 54 23.175 13.338 4.204 1.00 1.06 C ATOM 2366 C ASP B 54 21.744 13.601 3.685 1.00 0.92 C ATOM 2367 O ASP B 54 21.489 14.589 2.987 1.00 0.97 O ATOM 2368 CB ASP B 54 23.836 12.198 3.423 1.00 1.27 C ATOM 2369 CG ASP B 54 23.829 12.527 1.926 1.00 1.47 C ATOM 2370 OD1 ASP B 54 24.681 13.357 1.535 1.00 2.26 O ATOM 2371 OD2 ASP B 54 22.938 12.006 1.224 1.00 2.15 O ATOM 0 H ASP B 54 23.495 12.060 5.837 1.00 1.06 H new ATOM 0 HA ASP B 54 23.734 14.261 4.053 1.00 1.06 H new ATOM 0 HB2 ASP B 54 24.859 12.053 3.769 1.00 1.27 H new ATOM 0 HB3 ASP B 54 23.303 11.264 3.603 1.00 1.27 H new ATOM 2376 N LEU B 55 20.780 12.774 4.110 1.00 0.83 N ATOM 2377 CA LEU B 55 19.359 12.987 3.825 1.00 0.81 C ATOM 2378 C LEU B 55 18.889 14.280 4.498 1.00 0.82 C ATOM 2379 O LEU B 55 18.182 15.077 3.881 1.00 0.86 O ATOM 2380 CB LEU B 55 18.522 11.776 4.284 1.00 0.79 C ATOM 2381 CG LEU B 55 18.956 10.397 3.757 1.00 0.85 C ATOM 2382 CD1 LEU B 55 18.005 9.320 4.303 1.00 0.86 C ATOM 2383 CD2 LEU B 55 18.996 10.346 2.223 1.00 0.96 C ATOM 0 H LEU B 55 20.966 11.937 4.662 1.00 0.83 H new ATOM 0 HA LEU B 55 19.220 13.087 2.749 1.00 0.81 H new ATOM 0 HB2 LEU B 55 18.538 11.744 5.373 1.00 0.79 H new ATOM 0 HB3 LEU B 55 17.487 11.944 3.985 1.00 0.79 H new ATOM 0 HG LEU B 55 19.971 10.209 4.107 1.00 0.85 H new ATOM 0 HD11 LEU B 55 18.311 8.342 3.931 1.00 0.86 H new ATOM 0 HD12 LEU B 55 18.041 9.321 5.392 1.00 0.86 H new ATOM 0 HD13 LEU B 55 16.988 9.532 3.973 1.00 0.86 H new ATOM 0 HD21 LEU B 55 19.308 9.353 1.900 1.00 0.96 H new ATOM 0 HD22 LEU B 55 18.004 10.562 1.826 1.00 0.96 H new ATOM 0 HD23 LEU B 55 19.705 11.087 1.853 1.00 0.96 H new ATOM 2395 N MET B 56 19.341 14.535 5.733 1.00 0.88 N ATOM 2396 CA MET B 56 19.085 15.804 6.430 1.00 0.98 C ATOM 2397 C MET B 56 19.614 16.998 5.630 1.00 0.96 C ATOM 2398 O MET B 56 18.914 18.000 5.515 1.00 1.07 O ATOM 2399 CB MET B 56 19.687 15.795 7.846 1.00 1.18 C ATOM 2400 CG MET B 56 19.131 14.667 8.719 1.00 1.33 C ATOM 2401 SD MET B 56 17.356 14.809 9.029 1.00 1.43 S ATOM 2402 CE MET B 56 17.412 15.738 10.581 1.00 1.95 C ATOM 0 H MET B 56 19.892 13.871 6.276 1.00 0.88 H new ATOM 0 HA MET B 56 18.004 15.910 6.520 1.00 0.98 H new ATOM 0 HB2 MET B 56 20.770 15.693 7.775 1.00 1.18 H new ATOM 0 HB3 MET B 56 19.488 16.753 8.327 1.00 1.18 H new ATOM 0 HG2 MET B 56 19.333 13.711 8.236 1.00 1.33 H new ATOM 0 HG3 MET B 56 19.660 14.661 9.672 1.00 1.33 H new ATOM 0 HE1 MET B 56 16.396 15.923 10.931 1.00 1.95 H new ATOM 0 HE2 MET B 56 17.955 15.162 11.330 1.00 1.95 H new ATOM 0 HE3 MET B 56 17.918 16.689 10.417 1.00 1.95 H new ATOM 2412 N LYS B 57 20.801 16.875 5.023 1.00 0.91 N ATOM 2413 CA LYS B 57 21.430 17.885 4.151 1.00 0.97 C ATOM 2414 C LYS B 57 20.631 18.193 2.895 1.00 1.01 C ATOM 2415 O LYS B 57 20.447 19.334 2.487 1.00 1.21 O ATOM 2416 CB LYS B 57 22.846 17.402 3.745 1.00 1.11 C ATOM 2417 CG LYS B 57 23.857 18.544 3.773 1.00 1.30 C ATOM 2418 CD LYS B 57 24.054 19.043 5.209 1.00 2.09 C ATOM 2419 CE LYS B 57 25.126 18.272 5.988 1.00 3.14 C ATOM 2420 NZ LYS B 57 24.575 17.070 6.648 1.00 4.36 N ATOM 0 H LYS B 57 21.375 16.038 5.127 1.00 0.91 H new ATOM 0 HA LYS B 57 21.475 18.808 4.729 1.00 0.97 H new ATOM 0 HB2 LYS B 57 23.170 16.612 4.422 1.00 1.11 H new ATOM 0 HB3 LYS B 57 22.811 16.970 2.745 1.00 1.11 H new ATOM 0 HG2 LYS B 57 24.809 18.206 3.364 1.00 1.30 H new ATOM 0 HG3 LYS B 57 23.511 19.361 3.141 1.00 1.30 H new ATOM 0 HD2 LYS B 57 24.325 20.099 5.183 1.00 2.09 H new ATOM 0 HD3 LYS B 57 23.106 18.970 5.743 1.00 2.09 H new ATOM 0 HE2 LYS B 57 25.926 17.978 5.309 1.00 3.14 H new ATOM 0 HE3 LYS B 57 25.569 18.926 6.739 1.00 3.14 H new ATOM 0 HZ1 LYS B 57 25.307 16.635 7.245 1.00 4.36 H new ATOM 0 HZ2 LYS B 57 23.762 17.340 7.238 1.00 4.36 H new ATOM 0 HZ3 LYS B 57 24.267 16.388 5.926 1.00 4.36 H new ATOM 2434 N SER B 58 20.141 17.125 2.316 1.00 0.91 N ATOM 2435 CA SER B 58 19.253 17.145 1.148 1.00 0.95 C ATOM 2436 C SER B 58 17.914 17.859 1.421 1.00 0.98 C ATOM 2437 O SER B 58 17.361 18.488 0.515 1.00 1.17 O ATOM 2438 CB SER B 58 19.050 15.717 0.629 1.00 1.01 C ATOM 2439 OG SER B 58 20.264 15.229 0.084 1.00 1.81 O ATOM 0 H SER B 58 20.347 16.181 2.644 1.00 0.91 H new ATOM 0 HA SER B 58 19.738 17.736 0.371 1.00 0.95 H new ATOM 0 HB2 SER B 58 18.718 15.069 1.440 1.00 1.01 H new ATOM 0 HB3 SER B 58 18.268 15.704 -0.130 1.00 1.01 H new ATOM 0 HG SER B 58 20.866 14.964 0.811 1.00 1.81 H new ATOM 2445 N LEU B 59 17.408 17.849 2.666 1.00 0.92 N ATOM 2446 CA LEU B 59 16.294 18.718 3.084 1.00 1.05 C ATOM 2447 C LEU B 59 16.775 20.148 3.380 1.00 1.16 C ATOM 2448 O LEU B 59 16.234 21.111 2.834 1.00 1.38 O ATOM 2449 CB LEU B 59 15.576 18.127 4.316 1.00 1.06 C ATOM 2450 CG LEU B 59 15.032 16.692 4.177 1.00 1.02 C ATOM 2451 CD1 LEU B 59 14.246 16.350 5.453 1.00 1.12 C ATOM 2452 CD2 LEU B 59 14.161 16.495 2.928 1.00 1.06 C ATOM 0 H LEU B 59 17.757 17.242 3.408 1.00 0.92 H new ATOM 0 HA LEU B 59 15.587 18.768 2.256 1.00 1.05 H new ATOM 0 HB2 LEU B 59 16.269 18.148 5.157 1.00 1.06 H new ATOM 0 HB3 LEU B 59 14.744 18.783 4.572 1.00 1.06 H new ATOM 0 HG LEU B 59 15.878 16.016 4.053 1.00 1.02 H new ATOM 0 HD11 LEU B 59 13.851 15.337 5.377 1.00 1.12 H new ATOM 0 HD12 LEU B 59 14.907 16.417 6.317 1.00 1.12 H new ATOM 0 HD13 LEU B 59 13.421 17.053 5.572 1.00 1.12 H new ATOM 0 HD21 LEU B 59 13.809 15.464 2.889 1.00 1.06 H new ATOM 0 HD22 LEU B 59 13.305 17.169 2.971 1.00 1.06 H new ATOM 0 HD23 LEU B 59 14.749 16.712 2.036 1.00 1.06 H new ATOM 2464 N ASP B 60 17.799 20.269 4.227 1.00 1.15 N ATOM 2465 CA ASP B 60 18.430 21.504 4.703 1.00 1.36 C ATOM 2466 C ASP B 60 18.782 22.494 3.592 1.00 1.55 C ATOM 2467 O ASP B 60 18.504 23.689 3.698 1.00 2.02 O ATOM 2468 CB ASP B 60 19.715 21.073 5.425 1.00 1.25 C ATOM 2469 CG ASP B 60 20.523 22.219 6.014 1.00 1.72 C ATOM 2470 OD1 ASP B 60 20.024 22.724 7.045 1.00 2.07 O ATOM 2471 OD2 ASP B 60 21.622 22.504 5.489 1.00 2.93 O ATOM 0 H ASP B 60 18.243 19.444 4.629 1.00 1.15 H new ATOM 0 HA ASP B 60 17.725 22.031 5.346 1.00 1.36 H new ATOM 0 HB2 ASP B 60 19.452 20.382 6.226 1.00 1.25 H new ATOM 0 HB3 ASP B 60 20.344 20.525 4.724 1.00 1.25 H new ATOM 2476 N LYS B 61 19.358 22.008 2.492 1.00 1.51 N ATOM 2477 CA LYS B 61 19.813 22.859 1.410 1.00 1.88 C ATOM 2478 C LYS B 61 18.715 23.660 0.717 1.00 1.70 C ATOM 2479 O LYS B 61 19.056 24.676 0.108 1.00 2.01 O ATOM 2480 CB LYS B 61 20.552 21.978 0.393 1.00 2.14 C ATOM 2481 CG LYS B 61 21.973 21.645 0.847 1.00 3.23 C ATOM 2482 CD LYS B 61 23.005 22.631 0.284 1.00 4.00 C ATOM 2483 CE LYS B 61 22.732 24.116 0.587 1.00 5.87 C ATOM 2484 NZ LYS B 61 21.875 24.811 -0.418 1.00 6.97 N ATOM 0 H LYS B 61 19.519 21.013 2.333 1.00 1.51 H new ATOM 0 HA LYS B 61 20.467 23.612 1.849 1.00 1.88 H new ATOM 0 HB2 LYS B 61 19.994 21.054 0.242 1.00 2.14 H new ATOM 0 HB3 LYS B 61 20.590 22.489 -0.569 1.00 2.14 H new ATOM 0 HG2 LYS B 61 22.017 21.657 1.936 1.00 3.23 H new ATOM 0 HG3 LYS B 61 22.227 20.634 0.529 1.00 3.23 H new ATOM 0 HD2 LYS B 61 23.986 22.371 0.682 1.00 4.00 H new ATOM 0 HD3 LYS B 61 23.055 22.501 -0.797 1.00 4.00 H new ATOM 0 HE2 LYS B 61 22.256 24.192 1.565 1.00 5.87 H new ATOM 0 HE3 LYS B 61 23.685 24.640 0.656 1.00 5.87 H new ATOM 0 HZ1 LYS B 61 22.157 25.810 -0.483 1.00 6.97 H new ATOM 0 HZ2 LYS B 61 21.991 24.357 -1.346 1.00 6.97 H new ATOM 0 HZ3 LYS B 61 20.879 24.751 -0.125 1.00 6.97 H new ATOM 2498 N ASN B 62 17.461 23.203 0.785 1.00 1.39 N ATOM 2499 CA ASN B 62 16.326 23.819 0.091 1.00 1.49 C ATOM 2500 C ASN B 62 15.219 24.293 1.058 1.00 1.52 C ATOM 2501 O ASN B 62 14.503 25.232 0.734 1.00 2.23 O ATOM 2502 CB ASN B 62 15.765 22.805 -0.920 1.00 1.76 C ATOM 2503 CG ASN B 62 16.719 22.359 -2.026 1.00 1.92 C ATOM 2504 OD1 ASN B 62 17.859 22.786 -2.139 1.00 2.13 O ATOM 2505 ND2 ASN B 62 16.266 21.472 -2.893 1.00 3.06 N ATOM 0 H ASN B 62 17.202 22.382 1.332 1.00 1.39 H new ATOM 0 HA ASN B 62 16.682 24.713 -0.421 1.00 1.49 H new ATOM 0 HB2 ASN B 62 15.437 21.921 -0.373 1.00 1.76 H new ATOM 0 HB3 ASN B 62 14.880 23.239 -1.385 1.00 1.76 H new ATOM 0 HD21 ASN B 62 16.866 21.147 -3.651 1.00 3.06 H new ATOM 0 HD22 ASN B 62 15.316 21.112 -2.805 1.00 3.06 H new ATOM 2512 N SER B 63 15.081 23.626 2.211 1.00 1.38 N ATOM 2513 CA SER B 63 14.334 23.952 3.443 1.00 1.42 C ATOM 2514 C SER B 63 12.897 24.461 3.305 1.00 1.41 C ATOM 2515 O SER B 63 11.984 23.784 3.754 1.00 1.77 O ATOM 2516 CB SER B 63 15.150 24.851 4.377 1.00 1.74 C ATOM 2517 OG SER B 63 16.208 24.109 4.980 1.00 2.37 O ATOM 0 H SER B 63 15.550 22.727 2.320 1.00 1.38 H new ATOM 0 HA SER B 63 14.193 22.966 3.887 1.00 1.42 H new ATOM 0 HB2 SER B 63 15.560 25.692 3.817 1.00 1.74 H new ATOM 0 HB3 SER B 63 14.503 25.267 5.149 1.00 1.74 H new ATOM 0 HG SER B 63 17.052 24.318 4.529 1.00 2.37 H new ATOM 2523 N ASP B 64 12.641 25.611 2.700 1.00 1.34 N ATOM 2524 CA ASP B 64 11.422 26.397 2.928 1.00 1.56 C ATOM 2525 C ASP B 64 10.546 26.406 1.671 1.00 1.35 C ATOM 2526 O ASP B 64 9.573 27.146 1.529 1.00 1.88 O ATOM 2527 CB ASP B 64 11.803 27.775 3.492 1.00 2.10 C ATOM 2528 CG ASP B 64 12.259 27.618 4.950 1.00 3.04 C ATOM 2529 OD1 ASP B 64 11.371 27.402 5.807 1.00 4.09 O ATOM 2530 OD2 ASP B 64 13.484 27.637 5.200 1.00 3.32 O ATOM 0 H ASP B 64 13.278 26.036 2.027 1.00 1.34 H new ATOM 0 HA ASP B 64 10.790 25.939 3.688 1.00 1.56 H new ATOM 0 HB2 ASP B 64 12.601 28.217 2.895 1.00 2.10 H new ATOM 0 HB3 ASP B 64 10.950 28.452 3.436 1.00 2.10 H new ATOM 2535 N GLN B 65 10.882 25.485 0.771 1.00 0.98 N ATOM 2536 CA GLN B 65 9.970 24.969 -0.225 1.00 0.96 C ATOM 2537 C GLN B 65 9.161 23.788 0.307 1.00 0.83 C ATOM 2538 O GLN B 65 9.588 23.065 1.210 1.00 0.89 O ATOM 2539 CB GLN B 65 10.721 24.491 -1.465 1.00 1.10 C ATOM 2540 CG GLN B 65 12.100 23.858 -1.270 1.00 1.76 C ATOM 2541 CD GLN B 65 12.471 22.994 -2.473 1.00 2.51 C ATOM 2542 OE1 GLN B 65 12.642 21.786 -2.383 1.00 3.59 O ATOM 2543 NE2 GLN B 65 12.629 23.563 -3.649 1.00 2.96 N ATOM 0 H GLN B 65 11.814 25.074 0.720 1.00 0.98 H new ATOM 0 HA GLN B 65 9.301 25.792 -0.479 1.00 0.96 H new ATOM 0 HB2 GLN B 65 10.090 23.765 -1.978 1.00 1.10 H new ATOM 0 HB3 GLN B 65 10.836 25.343 -2.135 1.00 1.10 H new ATOM 0 HG2 GLN B 65 12.848 24.639 -1.132 1.00 1.76 H new ATOM 0 HG3 GLN B 65 12.102 23.251 -0.365 1.00 1.76 H new ATOM 0 HE21 GLN B 65 12.492 24.569 -3.751 1.00 2.96 H new ATOM 0 HE22 GLN B 65 12.888 22.998 -4.458 1.00 2.96 H new ATOM 2552 N GLU B 66 8.037 23.550 -0.375 1.00 0.85 N ATOM 2553 CA GLU B 66 7.074 22.533 -0.017 1.00 0.86 C ATOM 2554 C GLU B 66 7.467 21.096 -0.406 1.00 0.87 C ATOM 2555 O GLU B 66 8.078 20.812 -1.441 1.00 1.07 O ATOM 2556 CB GLU B 66 5.697 22.872 -0.596 1.00 0.99 C ATOM 2557 CG GLU B 66 5.140 24.235 -0.151 1.00 1.12 C ATOM 2558 CD GLU B 66 3.732 24.482 -0.697 1.00 1.63 C ATOM 2559 OE1 GLU B 66 3.030 23.497 -1.000 1.00 2.68 O ATOM 2560 OE2 GLU B 66 3.308 25.657 -0.785 1.00 2.32 O ATOM 0 H GLU B 66 7.776 24.077 -1.208 1.00 0.85 H new ATOM 0 HA GLU B 66 7.046 22.544 1.073 1.00 0.86 H new ATOM 0 HB2 GLU B 66 5.760 22.856 -1.684 1.00 0.99 H new ATOM 0 HB3 GLU B 66 4.992 22.093 -0.306 1.00 0.99 H new ATOM 0 HG2 GLU B 66 5.120 24.281 0.938 1.00 1.12 H new ATOM 0 HG3 GLU B 66 5.806 25.028 -0.492 1.00 1.12 H new ATOM 2567 N ILE B 67 7.050 20.185 0.467 1.00 0.76 N ATOM 2568 CA ILE B 67 7.109 18.723 0.394 1.00 0.77 C ATOM 2569 C ILE B 67 5.684 18.197 0.494 1.00 0.76 C ATOM 2570 O ILE B 67 5.038 18.366 1.523 1.00 0.93 O ATOM 2571 CB ILE B 67 7.996 18.223 1.561 1.00 0.90 C ATOM 2572 CG1 ILE B 67 9.451 18.330 1.064 1.00 1.19 C ATOM 2573 CG2 ILE B 67 7.703 16.838 2.193 1.00 2.17 C ATOM 2574 CD1 ILE B 67 10.445 17.746 2.052 1.00 1.28 C ATOM 0 H ILE B 67 6.614 20.482 1.340 1.00 0.76 H new ATOM 0 HA ILE B 67 7.543 18.368 -0.541 1.00 0.77 H new ATOM 0 HB ILE B 67 7.764 18.862 2.413 1.00 0.90 H new ATOM 0 HG12 ILE B 67 9.545 17.812 0.109 1.00 1.19 H new ATOM 0 HG13 ILE B 67 9.694 19.377 0.884 1.00 1.19 H new ATOM 0 HG21 ILE B 67 8.417 16.645 2.994 1.00 2.17 H new ATOM 0 HG22 ILE B 67 6.691 16.830 2.598 1.00 2.17 H new ATOM 0 HG23 ILE B 67 7.795 16.064 1.431 1.00 2.17 H new ATOM 0 HD11 ILE B 67 11.455 17.846 1.654 1.00 1.28 H new ATOM 0 HD12 ILE B 67 10.373 18.280 2.999 1.00 1.28 H new ATOM 0 HD13 ILE B 67 10.221 16.691 2.213 1.00 1.28 H new ATOM 2586 N ASP B 68 5.218 17.534 -0.559 1.00 0.86 N ATOM 2587 CA ASP B 68 3.935 16.814 -0.560 1.00 1.01 C ATOM 2588 C ASP B 68 4.123 15.421 0.069 1.00 1.08 C ATOM 2589 O ASP B 68 5.233 14.881 0.067 1.00 1.35 O ATOM 2590 CB ASP B 68 3.394 16.763 -2.002 1.00 1.19 C ATOM 2591 CG ASP B 68 1.908 16.370 -2.139 1.00 2.34 C ATOM 2592 OD1 ASP B 68 1.238 16.151 -1.106 1.00 3.58 O ATOM 2593 OD2 ASP B 68 1.462 16.231 -3.300 1.00 3.08 O ATOM 0 H ASP B 68 5.719 17.476 -1.446 1.00 0.86 H new ATOM 0 HA ASP B 68 3.193 17.331 0.048 1.00 1.01 H new ATOM 0 HB2 ASP B 68 3.537 17.742 -2.460 1.00 1.19 H new ATOM 0 HB3 ASP B 68 3.994 16.053 -2.572 1.00 1.19 H new ATOM 2598 N PHE B 69 3.049 14.819 0.586 1.00 0.95 N ATOM 2599 CA PHE B 69 3.053 13.594 1.408 1.00 0.83 C ATOM 2600 C PHE B 69 3.860 12.425 0.796 1.00 0.79 C ATOM 2601 O PHE B 69 4.379 11.569 1.511 1.00 0.73 O ATOM 2602 CB PHE B 69 1.589 13.188 1.658 1.00 0.84 C ATOM 2603 CG PHE B 69 1.319 12.463 2.967 1.00 1.21 C ATOM 2604 CD1 PHE B 69 1.624 11.096 3.127 1.00 2.58 C ATOM 2605 CD2 PHE B 69 0.705 13.159 4.024 1.00 2.23 C ATOM 2606 CE1 PHE B 69 1.304 10.430 4.326 1.00 3.50 C ATOM 2607 CE2 PHE B 69 0.403 12.498 5.225 1.00 3.10 C ATOM 2608 CZ PHE B 69 0.697 11.132 5.378 1.00 3.43 C ATOM 0 H PHE B 69 2.108 15.184 0.440 1.00 0.95 H new ATOM 0 HA PHE B 69 3.564 13.818 2.344 1.00 0.83 H new ATOM 0 HB2 PHE B 69 0.972 14.086 1.628 1.00 0.84 H new ATOM 0 HB3 PHE B 69 1.263 12.550 0.837 1.00 0.84 H new ATOM 0 HD1 PHE B 69 2.106 10.556 2.325 1.00 2.58 H new ATOM 0 HD2 PHE B 69 0.465 14.206 3.911 1.00 2.23 H new ATOM 0 HE1 PHE B 69 1.526 9.379 4.436 1.00 3.50 H new ATOM 0 HE2 PHE B 69 -0.058 13.042 6.036 1.00 3.10 H new ATOM 0 HZ PHE B 69 0.457 10.625 6.301 1.00 3.43 H new ATOM 2618 N LYS B 70 4.032 12.407 -0.530 1.00 0.90 N ATOM 2619 CA LYS B 70 4.838 11.452 -1.290 1.00 0.88 C ATOM 2620 C LYS B 70 6.318 11.496 -0.886 1.00 0.81 C ATOM 2621 O LYS B 70 6.946 10.459 -0.658 1.00 0.84 O ATOM 2622 CB LYS B 70 4.698 11.893 -2.751 1.00 0.94 C ATOM 2623 CG LYS B 70 5.347 10.937 -3.773 1.00 1.41 C ATOM 2624 CD LYS B 70 6.136 11.703 -4.847 1.00 2.57 C ATOM 2625 CE LYS B 70 7.433 12.264 -4.246 1.00 4.09 C ATOM 2626 NZ LYS B 70 8.228 13.067 -5.203 1.00 5.25 N ATOM 0 H LYS B 70 3.586 13.098 -1.133 1.00 0.90 H new ATOM 0 HA LYS B 70 4.499 10.432 -1.111 1.00 0.88 H new ATOM 0 HB2 LYS B 70 3.639 11.992 -2.987 1.00 0.94 H new ATOM 0 HB3 LYS B 70 5.144 12.881 -2.863 1.00 0.94 H new ATOM 0 HG2 LYS B 70 6.013 10.248 -3.254 1.00 1.41 H new ATOM 0 HG3 LYS B 70 4.574 10.335 -4.250 1.00 1.41 H new ATOM 0 HD2 LYS B 70 6.369 11.041 -5.681 1.00 2.57 H new ATOM 0 HD3 LYS B 70 5.529 12.516 -5.246 1.00 2.57 H new ATOM 0 HE2 LYS B 70 7.187 12.882 -3.382 1.00 4.09 H new ATOM 0 HE3 LYS B 70 8.043 11.437 -3.883 1.00 4.09 H new ATOM 0 HZ1 LYS B 70 8.823 13.741 -4.680 1.00 5.25 H new ATOM 0 HZ2 LYS B 70 8.833 12.436 -5.767 1.00 5.25 H new ATOM 0 HZ3 LYS B 70 7.587 13.588 -5.835 1.00 5.25 H new ATOM 2640 N GLU B 71 6.858 12.714 -0.826 1.00 0.79 N ATOM 2641 CA GLU B 71 8.232 13.017 -0.437 1.00 0.81 C ATOM 2642 C GLU B 71 8.462 12.528 0.995 1.00 0.74 C ATOM 2643 O GLU B 71 9.462 11.882 1.294 1.00 0.81 O ATOM 2644 CB GLU B 71 8.438 14.539 -0.482 1.00 0.98 C ATOM 2645 CG GLU B 71 8.344 15.186 -1.863 1.00 1.22 C ATOM 2646 CD GLU B 71 9.691 15.148 -2.578 1.00 1.53 C ATOM 2647 OE1 GLU B 71 10.541 16.019 -2.286 1.00 2.06 O ATOM 2648 OE2 GLU B 71 9.840 14.235 -3.420 1.00 2.75 O ATOM 0 H GLU B 71 6.324 13.552 -1.058 1.00 0.79 H new ATOM 0 HA GLU B 71 8.929 12.525 -1.116 1.00 0.81 H new ATOM 0 HB2 GLU B 71 7.697 15.006 0.167 1.00 0.98 H new ATOM 0 HB3 GLU B 71 9.418 14.766 -0.062 1.00 0.98 H new ATOM 0 HG2 GLU B 71 7.596 14.666 -2.462 1.00 1.22 H new ATOM 0 HG3 GLU B 71 8.011 16.219 -1.763 1.00 1.22 H new ATOM 2655 N TYR B 72 7.483 12.781 1.863 1.00 0.68 N ATOM 2656 CA TYR B 72 7.545 12.423 3.288 1.00 0.61 C ATOM 2657 C TYR B 72 7.570 10.899 3.483 1.00 0.58 C ATOM 2658 O TYR B 72 8.405 10.373 4.222 1.00 0.58 O ATOM 2659 CB TYR B 72 6.363 13.102 3.999 1.00 0.59 C ATOM 2660 CG TYR B 72 5.858 12.446 5.272 1.00 0.67 C ATOM 2661 CD1 TYR B 72 6.500 12.669 6.502 1.00 1.67 C ATOM 2662 CD2 TYR B 72 4.696 11.649 5.234 1.00 2.45 C ATOM 2663 CE1 TYR B 72 5.980 12.130 7.691 1.00 1.61 C ATOM 2664 CE2 TYR B 72 4.179 11.093 6.421 1.00 2.63 C ATOM 2665 CZ TYR B 72 4.808 11.344 7.662 1.00 1.06 C ATOM 2666 OH TYR B 72 4.282 10.836 8.809 1.00 1.33 O ATOM 0 H TYR B 72 6.614 13.245 1.598 1.00 0.68 H new ATOM 0 HA TYR B 72 8.474 12.781 3.732 1.00 0.61 H new ATOM 0 HB2 TYR B 72 6.653 14.125 4.237 1.00 0.59 H new ATOM 0 HB3 TYR B 72 5.533 13.161 3.295 1.00 0.59 H new ATOM 0 HD1 TYR B 72 7.403 13.261 6.534 1.00 1.67 H new ATOM 0 HD2 TYR B 72 4.201 11.464 4.292 1.00 2.45 H new ATOM 0 HE1 TYR B 72 6.479 12.318 8.630 1.00 1.61 H new ATOM 0 HE2 TYR B 72 3.297 10.471 6.383 1.00 2.63 H new ATOM 0 HH TYR B 72 4.808 11.146 9.575 1.00 1.33 H new ATOM 2676 N SER B 73 6.705 10.169 2.775 1.00 0.59 N ATOM 2677 CA SER B 73 6.671 8.714 2.861 1.00 0.60 C ATOM 2678 C SER B 73 7.893 8.047 2.210 1.00 0.66 C ATOM 2679 O SER B 73 8.398 7.090 2.799 1.00 0.68 O ATOM 2680 CB SER B 73 5.359 8.168 2.301 1.00 0.66 C ATOM 2681 OG SER B 73 5.246 8.381 0.913 1.00 1.36 O ATOM 0 H SER B 73 6.018 10.567 2.135 1.00 0.59 H new ATOM 0 HA SER B 73 6.721 8.457 3.919 1.00 0.60 H new ATOM 0 HB2 SER B 73 5.293 7.100 2.510 1.00 0.66 H new ATOM 0 HB3 SER B 73 4.522 8.645 2.810 1.00 0.66 H new ATOM 0 HG SER B 73 4.391 8.023 0.596 1.00 1.36 H new ATOM 2687 N VAL B 74 8.424 8.543 1.074 1.00 0.70 N ATOM 2688 CA VAL B 74 9.681 8.003 0.515 1.00 0.76 C ATOM 2689 C VAL B 74 10.889 8.304 1.401 1.00 0.74 C ATOM 2690 O VAL B 74 11.745 7.437 1.514 1.00 0.75 O ATOM 2691 CB VAL B 74 10.007 8.419 -0.935 1.00 0.82 C ATOM 2692 CG1 VAL B 74 8.941 7.914 -1.910 1.00 0.83 C ATOM 2693 CG2 VAL B 74 10.281 9.910 -1.172 1.00 0.86 C ATOM 0 H VAL B 74 8.011 9.303 0.533 1.00 0.70 H new ATOM 0 HA VAL B 74 9.486 6.931 0.491 1.00 0.76 H new ATOM 0 HB VAL B 74 10.962 7.931 -1.129 1.00 0.82 H new ATOM 0 HG11 VAL B 74 9.199 8.223 -2.923 1.00 0.83 H new ATOM 0 HG12 VAL B 74 8.892 6.826 -1.864 1.00 0.83 H new ATOM 0 HG13 VAL B 74 7.972 8.333 -1.639 1.00 0.83 H new ATOM 0 HG21 VAL B 74 10.497 10.077 -2.227 1.00 0.86 H new ATOM 0 HG22 VAL B 74 9.405 10.491 -0.885 1.00 0.86 H new ATOM 0 HG23 VAL B 74 11.136 10.223 -0.573 1.00 0.86 H new ATOM 2703 N PHE B 75 10.951 9.466 2.071 1.00 0.72 N ATOM 2704 CA PHE B 75 12.024 9.780 3.015 1.00 0.70 C ATOM 2705 C PHE B 75 11.971 8.858 4.234 1.00 0.69 C ATOM 2706 O PHE B 75 12.980 8.237 4.566 1.00 0.73 O ATOM 2707 CB PHE B 75 11.925 11.253 3.446 1.00 0.65 C ATOM 2708 CG PHE B 75 13.139 11.768 4.201 1.00 0.56 C ATOM 2709 CD1 PHE B 75 13.319 11.510 5.581 1.00 1.69 C ATOM 2710 CD2 PHE B 75 14.105 12.526 3.513 1.00 1.70 C ATOM 2711 CE1 PHE B 75 14.432 12.043 6.255 1.00 1.74 C ATOM 2712 CE2 PHE B 75 15.201 13.074 4.195 1.00 1.65 C ATOM 2713 CZ PHE B 75 15.367 12.835 5.569 1.00 0.58 C ATOM 0 H PHE B 75 10.259 10.209 1.971 1.00 0.72 H new ATOM 0 HA PHE B 75 12.981 9.619 2.518 1.00 0.70 H new ATOM 0 HB2 PHE B 75 11.775 11.869 2.559 1.00 0.65 H new ATOM 0 HB3 PHE B 75 11.042 11.377 4.073 1.00 0.65 H new ATOM 0 HD1 PHE B 75 12.602 10.904 6.116 1.00 1.69 H new ATOM 0 HD2 PHE B 75 14.001 12.687 2.450 1.00 1.70 H new ATOM 0 HE1 PHE B 75 14.569 11.842 7.307 1.00 1.74 H new ATOM 0 HE2 PHE B 75 15.919 13.681 3.663 1.00 1.65 H new ATOM 0 HZ PHE B 75 16.210 13.258 6.095 1.00 0.58 H new ATOM 2723 N LEU B 76 10.795 8.704 4.863 1.00 0.67 N ATOM 2724 CA LEU B 76 10.612 7.790 5.994 1.00 0.67 C ATOM 2725 C LEU B 76 10.879 6.335 5.609 1.00 0.69 C ATOM 2726 O LEU B 76 11.491 5.622 6.401 1.00 0.70 O ATOM 2727 CB LEU B 76 9.189 7.917 6.565 1.00 0.63 C ATOM 2728 CG LEU B 76 8.978 9.105 7.520 1.00 0.58 C ATOM 2729 CD1 LEU B 76 7.495 9.137 7.899 1.00 1.10 C ATOM 2730 CD2 LEU B 76 9.819 8.973 8.803 1.00 0.99 C ATOM 0 H LEU B 76 9.949 9.209 4.600 1.00 0.67 H new ATOM 0 HA LEU B 76 11.340 8.076 6.753 1.00 0.67 H new ATOM 0 HB2 LEU B 76 8.487 8.007 5.736 1.00 0.63 H new ATOM 0 HB3 LEU B 76 8.942 6.996 7.093 1.00 0.63 H new ATOM 0 HG LEU B 76 9.290 10.020 7.017 1.00 0.58 H new ATOM 0 HD11 LEU B 76 7.311 9.970 8.577 1.00 1.10 H new ATOM 0 HD12 LEU B 76 6.892 9.261 6.999 1.00 1.10 H new ATOM 0 HD13 LEU B 76 7.225 8.202 8.390 1.00 1.10 H new ATOM 0 HD21 LEU B 76 9.638 9.834 9.447 1.00 0.99 H new ATOM 0 HD22 LEU B 76 9.539 8.061 9.329 1.00 0.99 H new ATOM 0 HD23 LEU B 76 10.877 8.931 8.542 1.00 0.99 H new ATOM 2742 N THR B 77 10.469 5.910 4.405 1.00 0.72 N ATOM 2743 CA THR B 77 10.717 4.560 3.872 1.00 0.74 C ATOM 2744 C THR B 77 12.209 4.342 3.648 1.00 0.76 C ATOM 2745 O THR B 77 12.762 3.394 4.191 1.00 0.76 O ATOM 2746 CB THR B 77 9.893 4.324 2.598 1.00 0.74 C ATOM 2747 OG1 THR B 77 8.533 4.411 2.932 1.00 0.75 O ATOM 2748 CG2 THR B 77 10.166 2.963 1.952 1.00 0.81 C ATOM 0 H THR B 77 9.946 6.505 3.762 1.00 0.72 H new ATOM 0 HA THR B 77 10.391 3.821 4.604 1.00 0.74 H new ATOM 0 HB THR B 77 10.180 5.083 1.870 1.00 0.74 H new ATOM 0 HG1 THR B 77 8.235 5.341 2.851 1.00 0.75 H new ATOM 0 HG21 THR B 77 9.554 2.856 1.056 1.00 0.81 H new ATOM 0 HG22 THR B 77 11.220 2.893 1.682 1.00 0.81 H new ATOM 0 HG23 THR B 77 9.919 2.169 2.657 1.00 0.81 H new ATOM 2756 N MET B 78 12.856 5.262 2.931 1.00 0.80 N ATOM 2757 CA MET B 78 14.301 5.291 2.686 1.00 0.83 C ATOM 2758 C MET B 78 15.092 5.216 3.991 1.00 0.82 C ATOM 2759 O MET B 78 15.976 4.374 4.124 1.00 0.85 O ATOM 2760 CB MET B 78 14.620 6.578 1.900 1.00 0.81 C ATOM 2761 CG MET B 78 16.113 6.866 1.737 1.00 0.96 C ATOM 2762 SD MET B 78 16.513 8.137 0.509 1.00 1.44 S ATOM 2763 CE MET B 78 15.459 9.506 1.051 1.00 1.47 C ATOM 0 H MET B 78 12.369 6.040 2.486 1.00 0.80 H new ATOM 0 HA MET B 78 14.598 4.419 2.104 1.00 0.83 H new ATOM 0 HB2 MET B 78 14.166 6.507 0.911 1.00 0.81 H new ATOM 0 HB3 MET B 78 14.153 7.423 2.406 1.00 0.81 H new ATOM 0 HG2 MET B 78 16.517 7.173 2.702 1.00 0.96 H new ATOM 0 HG3 MET B 78 16.619 5.941 1.460 1.00 0.96 H new ATOM 0 HE1 MET B 78 15.827 10.439 0.625 1.00 1.47 H new ATOM 0 HE2 MET B 78 14.436 9.333 0.715 1.00 1.47 H new ATOM 0 HE3 MET B 78 15.478 9.571 2.139 1.00 1.47 H new ATOM 2773 N LEU B 79 14.764 6.071 4.965 1.00 0.84 N ATOM 2774 CA LEU B 79 15.462 6.147 6.244 1.00 0.91 C ATOM 2775 C LEU B 79 15.218 4.904 7.094 1.00 0.88 C ATOM 2776 O LEU B 79 16.181 4.336 7.589 1.00 0.92 O ATOM 2777 CB LEU B 79 15.036 7.436 6.965 1.00 1.04 C ATOM 2778 CG LEU B 79 15.713 7.685 8.322 1.00 0.88 C ATOM 2779 CD1 LEU B 79 17.233 7.457 8.294 1.00 1.25 C ATOM 2780 CD2 LEU B 79 15.425 9.120 8.786 1.00 1.67 C ATOM 0 H LEU B 79 13.996 6.737 4.882 1.00 0.84 H new ATOM 0 HA LEU B 79 16.537 6.180 6.068 1.00 0.91 H new ATOM 0 HB2 LEU B 79 15.245 8.284 6.312 1.00 1.04 H new ATOM 0 HB3 LEU B 79 13.957 7.409 7.116 1.00 1.04 H new ATOM 0 HG LEU B 79 15.294 6.959 9.019 1.00 0.88 H new ATOM 0 HD11 LEU B 79 17.648 7.650 9.283 1.00 1.25 H new ATOM 0 HD12 LEU B 79 17.441 6.426 8.008 1.00 1.25 H new ATOM 0 HD13 LEU B 79 17.689 8.133 7.571 1.00 1.25 H new ATOM 0 HD21 LEU B 79 15.906 9.295 9.748 1.00 1.67 H new ATOM 0 HD22 LEU B 79 15.815 9.825 8.052 1.00 1.67 H new ATOM 0 HD23 LEU B 79 14.349 9.261 8.887 1.00 1.67 H new ATOM 2792 N CYS B 80 13.970 4.447 7.232 1.00 0.87 N ATOM 2793 CA CYS B 80 13.672 3.235 7.998 1.00 0.94 C ATOM 2794 C CYS B 80 14.411 2.023 7.407 1.00 0.91 C ATOM 2795 O CYS B 80 15.073 1.282 8.127 1.00 1.02 O ATOM 2796 CB CYS B 80 12.146 3.064 8.057 1.00 1.01 C ATOM 2797 SG CYS B 80 11.722 1.748 9.229 1.00 1.26 S ATOM 0 H CYS B 80 13.151 4.898 6.824 1.00 0.87 H new ATOM 0 HA CYS B 80 14.036 3.320 9.022 1.00 0.94 H new ATOM 0 HB2 CYS B 80 11.677 4.000 8.361 1.00 1.01 H new ATOM 0 HB3 CYS B 80 11.759 2.821 7.067 1.00 1.01 H new ATOM 0 HG CYS B 80 10.430 1.609 9.276 1.00 1.26 H new ATOM 2803 N MET B 81 14.368 1.861 6.083 1.00 0.90 N ATOM 2804 CA MET B 81 15.021 0.755 5.380 1.00 1.00 C ATOM 2805 C MET B 81 16.556 0.854 5.369 1.00 0.99 C ATOM 2806 O MET B 81 17.209 -0.162 5.154 1.00 1.15 O ATOM 2807 CB MET B 81 14.423 0.599 3.974 1.00 1.18 C ATOM 2808 CG MET B 81 14.428 -0.876 3.554 1.00 2.03 C ATOM 2809 SD MET B 81 14.317 -1.125 1.771 1.00 2.62 S ATOM 2810 CE MET B 81 16.041 -0.721 1.390 1.00 2.70 C ATOM 0 H MET B 81 13.873 2.501 5.462 1.00 0.90 H new ATOM 0 HA MET B 81 14.815 -0.156 5.941 1.00 1.00 H new ATOM 0 HB2 MET B 81 13.404 0.985 3.960 1.00 1.18 H new ATOM 0 HB3 MET B 81 14.997 1.189 3.260 1.00 1.18 H new ATOM 0 HG2 MET B 81 15.341 -1.346 3.921 1.00 2.03 H new ATOM 0 HG3 MET B 81 13.592 -1.384 4.035 1.00 2.03 H new ATOM 0 HE1 MET B 81 16.073 0.033 0.604 1.00 2.70 H new ATOM 0 HE2 MET B 81 16.530 -0.334 2.284 1.00 2.70 H new ATOM 0 HE3 MET B 81 16.559 -1.619 1.053 1.00 2.70 H new ATOM 2820 N ALA B 82 17.134 2.024 5.690 1.00 0.92 N ATOM 2821 CA ALA B 82 18.584 2.266 5.817 1.00 1.05 C ATOM 2822 C ALA B 82 19.293 1.482 6.947 1.00 1.11 C ATOM 2823 O ALA B 82 20.447 1.776 7.258 1.00 1.23 O ATOM 2824 CB ALA B 82 18.845 3.776 5.950 1.00 1.05 C ATOM 0 H ALA B 82 16.583 2.862 5.876 1.00 0.92 H new ATOM 0 HA ALA B 82 19.029 1.876 4.901 1.00 1.05 H new ATOM 0 HB1 ALA B 82 19.916 3.953 6.044 1.00 1.05 H new ATOM 0 HB2 ALA B 82 18.468 4.290 5.066 1.00 1.05 H new ATOM 0 HB3 ALA B 82 18.336 4.157 6.835 1.00 1.05 H new ATOM 2830 N TYR B 83 18.603 0.536 7.593 1.00 1.25 N ATOM 2831 CA TYR B 83 19.099 -0.301 8.694 1.00 1.43 C ATOM 2832 C TYR B 83 18.267 -1.588 8.927 1.00 1.60 C ATOM 2833 O TYR B 83 18.374 -2.210 9.986 1.00 1.86 O ATOM 2834 CB TYR B 83 19.211 0.570 9.959 1.00 1.47 C ATOM 2835 CG TYR B 83 17.948 1.322 10.331 1.00 1.47 C ATOM 2836 CD1 TYR B 83 16.949 0.688 11.096 1.00 2.29 C ATOM 2837 CD2 TYR B 83 17.796 2.681 9.978 1.00 2.07 C ATOM 2838 CE1 TYR B 83 15.788 1.383 11.469 1.00 2.32 C ATOM 2839 CE2 TYR B 83 16.650 3.396 10.375 1.00 2.15 C ATOM 2840 CZ TYR B 83 15.627 2.736 11.099 1.00 1.62 C ATOM 2841 OH TYR B 83 14.496 3.400 11.447 1.00 1.76 O ATOM 0 H TYR B 83 17.636 0.322 7.351 1.00 1.25 H new ATOM 0 HA TYR B 83 20.085 -0.676 8.420 1.00 1.43 H new ATOM 0 HB2 TYR B 83 19.497 -0.066 10.796 1.00 1.47 H new ATOM 0 HB3 TYR B 83 20.016 1.290 9.816 1.00 1.47 H new ATOM 0 HD1 TYR B 83 17.078 -0.341 11.398 1.00 2.29 H new ATOM 0 HD2 TYR B 83 18.563 3.175 9.400 1.00 2.07 H new ATOM 0 HE1 TYR B 83 15.018 0.883 12.039 1.00 2.32 H new ATOM 0 HE2 TYR B 83 16.551 4.443 10.129 1.00 2.15 H new ATOM 0 HH TYR B 83 14.488 3.547 12.416 1.00 1.76 H new ATOM 2851 N ASN B 84 17.407 -1.980 7.972 1.00 1.68 N ATOM 2852 CA ASN B 84 16.500 -3.138 8.096 1.00 1.85 C ATOM 2853 C ASN B 84 16.998 -4.410 7.390 1.00 2.04 C ATOM 2854 O ASN B 84 16.304 -5.430 7.330 1.00 2.05 O ATOM 2855 CB ASN B 84 15.074 -2.713 7.712 1.00 1.82 C ATOM 2856 CG ASN B 84 14.458 -1.740 8.722 1.00 2.10 C ATOM 2857 OD1 ASN B 84 14.899 -1.590 9.856 1.00 2.82 O ATOM 2858 ND2 ASN B 84 13.383 -1.067 8.354 1.00 2.52 N ATOM 0 H ASN B 84 17.320 -1.496 7.079 1.00 1.68 H new ATOM 0 HA ASN B 84 16.486 -3.446 9.141 1.00 1.85 H new ATOM 0 HB2 ASN B 84 15.091 -2.246 6.727 1.00 1.82 H new ATOM 0 HB3 ASN B 84 14.443 -3.599 7.635 1.00 1.82 H new ATOM 0 HD21 ASN B 84 12.930 -0.431 9.010 1.00 2.52 H new ATOM 0 HD22 ASN B 84 13.006 -1.183 7.413 1.00 2.52 H new ATOM 2865 N ASP B 85 18.266 -4.393 6.991 1.00 2.86 N ATOM 2866 CA ASP B 85 19.154 -5.549 6.976 1.00 2.93 C ATOM 2867 C ASP B 85 19.160 -6.341 8.299 1.00 2.79 C ATOM 2868 O ASP B 85 19.304 -7.561 8.272 1.00 2.86 O ATOM 2869 CB ASP B 85 20.574 -5.038 6.666 1.00 4.00 C ATOM 2870 CG ASP B 85 20.942 -3.840 7.559 1.00 4.22 C ATOM 2871 OD1 ASP B 85 20.506 -2.723 7.197 1.00 5.07 O ATOM 2872 OD2 ASP B 85 21.526 -4.046 8.644 1.00 4.26 O ATOM 0 H ASP B 85 18.719 -3.542 6.657 1.00 2.86 H new ATOM 0 HA ASP B 85 18.794 -6.244 6.217 1.00 2.93 H new ATOM 0 HB2 ASP B 85 21.294 -5.842 6.817 1.00 4.00 H new ATOM 0 HB3 ASP B 85 20.638 -4.746 5.618 1.00 4.00 H new ATOM 2877 N PHE B 86 18.876 -5.683 9.430 1.00 3.08 N ATOM 2878 CA PHE B 86 18.723 -6.288 10.761 1.00 3.67 C ATOM 2879 C PHE B 86 17.644 -7.396 10.836 1.00 3.43 C ATOM 2880 O PHE B 86 17.604 -8.158 11.796 1.00 4.21 O ATOM 2881 CB PHE B 86 18.434 -5.142 11.744 1.00 4.31 C ATOM 2882 CG PHE B 86 18.809 -5.415 13.187 1.00 4.51 C ATOM 2883 CD1 PHE B 86 20.095 -5.075 13.647 1.00 5.74 C ATOM 2884 CD2 PHE B 86 17.876 -5.979 14.081 1.00 4.22 C ATOM 2885 CE1 PHE B 86 20.450 -5.295 14.989 1.00 6.21 C ATOM 2886 CE2 PHE B 86 18.235 -6.205 15.423 1.00 4.98 C ATOM 2887 CZ PHE B 86 19.521 -5.861 15.878 1.00 5.75 C ATOM 0 H PHE B 86 18.741 -4.672 9.444 1.00 3.08 H new ATOM 0 HA PHE B 86 19.645 -6.809 11.018 1.00 3.67 H new ATOM 0 HB2 PHE B 86 18.970 -4.254 11.409 1.00 4.31 H new ATOM 0 HB3 PHE B 86 17.370 -4.908 11.701 1.00 4.31 H new ATOM 0 HD1 PHE B 86 20.813 -4.643 12.965 1.00 5.74 H new ATOM 0 HD2 PHE B 86 16.886 -6.238 13.736 1.00 4.22 H new ATOM 0 HE1 PHE B 86 21.437 -5.029 15.337 1.00 6.21 H new ATOM 0 HE2 PHE B 86 17.522 -6.644 16.105 1.00 4.98 H new ATOM 0 HZ PHE B 86 19.794 -6.032 16.909 1.00 5.75 H new ATOM 2897 N PHE B 87 16.767 -7.499 9.825 1.00 2.71 N ATOM 2898 CA PHE B 87 15.743 -8.546 9.700 1.00 3.03 C ATOM 2899 C PHE B 87 16.049 -9.590 8.604 1.00 2.89 C ATOM 2900 O PHE B 87 15.213 -10.463 8.349 1.00 3.56 O ATOM 2901 CB PHE B 87 14.388 -7.880 9.412 1.00 3.08 C ATOM 2902 CG PHE B 87 13.994 -6.747 10.340 1.00 3.43 C ATOM 2903 CD1 PHE B 87 14.035 -6.910 11.737 1.00 4.79 C ATOM 2904 CD2 PHE B 87 13.574 -5.521 9.791 1.00 3.24 C ATOM 2905 CE1 PHE B 87 13.661 -5.848 12.580 1.00 5.49 C ATOM 2906 CE2 PHE B 87 13.200 -4.461 10.634 1.00 3.97 C ATOM 2907 CZ PHE B 87 13.247 -4.624 12.029 1.00 4.92 C ATOM 0 H PHE B 87 16.751 -6.836 9.050 1.00 2.71 H new ATOM 0 HA PHE B 87 15.728 -9.092 10.643 1.00 3.03 H new ATOM 0 HB2 PHE B 87 14.403 -7.499 8.391 1.00 3.08 H new ATOM 0 HB3 PHE B 87 13.613 -8.645 9.455 1.00 3.08 H new ATOM 0 HD1 PHE B 87 14.354 -7.850 12.162 1.00 4.79 H new ATOM 0 HD2 PHE B 87 13.539 -5.395 8.719 1.00 3.24 H new ATOM 0 HE1 PHE B 87 13.692 -5.974 13.652 1.00 5.49 H new ATOM 0 HE2 PHE B 87 12.877 -3.522 10.210 1.00 3.97 H new ATOM 0 HZ PHE B 87 12.965 -3.808 12.678 1.00 4.92 H new ATOM 2917 N LEU B 88 17.173 -9.441 7.891 1.00 2.31 N ATOM 2918 CA LEU B 88 17.606 -10.251 6.751 1.00 2.31 C ATOM 2919 C LEU B 88 18.446 -11.451 7.225 1.00 2.88 C ATOM 2920 O LEU B 88 17.975 -12.214 8.065 1.00 3.32 O ATOM 2921 CB LEU B 88 18.253 -9.295 5.713 1.00 1.89 C ATOM 2922 CG LEU B 88 17.839 -9.605 4.264 1.00 2.64 C ATOM 2923 CD1 LEU B 88 18.456 -8.601 3.288 1.00 3.00 C ATOM 2924 CD2 LEU B 88 18.179 -11.033 3.805 1.00 3.56 C ATOM 0 H LEU B 88 17.844 -8.705 8.111 1.00 2.31 H new ATOM 0 HA LEU B 88 16.778 -10.735 6.232 1.00 2.31 H new ATOM 0 HB2 LEU B 88 17.976 -8.268 5.952 1.00 1.89 H new ATOM 0 HB3 LEU B 88 19.338 -9.359 5.796 1.00 1.89 H new ATOM 0 HG LEU B 88 16.752 -9.519 4.257 1.00 2.64 H new ATOM 0 HD11 LEU B 88 18.146 -8.844 2.272 1.00 3.00 H new ATOM 0 HD12 LEU B 88 18.119 -7.595 3.539 1.00 3.00 H new ATOM 0 HD13 LEU B 88 19.543 -8.647 3.357 1.00 3.00 H new ATOM 0 HD21 LEU B 88 17.855 -11.171 2.773 1.00 3.56 H new ATOM 0 HD22 LEU B 88 19.256 -11.190 3.871 1.00 3.56 H new ATOM 0 HD23 LEU B 88 17.668 -11.752 4.445 1.00 3.56 H new ATOM 2936 N GLU B 89 19.641 -11.639 6.659 1.00 3.13 N ATOM 2937 CA GLU B 89 20.622 -12.677 7.002 1.00 3.80 C ATOM 2938 C GLU B 89 21.996 -12.479 6.321 1.00 3.48 C ATOM 2939 O GLU B 89 22.967 -13.067 6.779 1.00 4.03 O ATOM 2940 CB GLU B 89 20.095 -14.089 6.658 1.00 4.57 C ATOM 2941 CG GLU B 89 20.545 -15.128 7.696 1.00 5.98 C ATOM 2942 CD GLU B 89 20.472 -16.554 7.154 1.00 7.19 C ATOM 2943 OE1 GLU B 89 19.508 -16.913 6.440 1.00 7.30 O ATOM 2944 OE2 GLU B 89 21.429 -17.330 7.350 1.00 8.50 O ATOM 0 H GLU B 89 19.971 -11.037 5.905 1.00 3.13 H new ATOM 0 HA GLU B 89 20.766 -12.583 8.078 1.00 3.80 H new ATOM 0 HB2 GLU B 89 19.006 -14.070 6.610 1.00 4.57 H new ATOM 0 HB3 GLU B 89 20.453 -14.381 5.671 1.00 4.57 H new ATOM 0 HG2 GLU B 89 21.567 -14.911 8.005 1.00 5.98 H new ATOM 0 HG3 GLU B 89 19.919 -15.046 8.584 1.00 5.98 H new ATOM 2951 N ASP B 90 22.069 -11.726 5.207 1.00 3.09 N ATOM 2952 CA ASP B 90 23.269 -11.380 4.402 1.00 3.43 C ATOM 2953 C ASP B 90 23.797 -12.569 3.566 1.00 4.04 C ATOM 2954 O ASP B 90 24.294 -12.409 2.455 1.00 5.05 O ATOM 2955 CB ASP B 90 24.354 -10.767 5.308 1.00 4.37 C ATOM 2956 CG ASP B 90 25.404 -9.961 4.537 1.00 5.41 C ATOM 2957 OD1 ASP B 90 25.000 -8.974 3.875 1.00 6.18 O ATOM 2958 OD2 ASP B 90 26.607 -10.290 4.662 1.00 6.04 O ATOM 0 H ASP B 90 21.227 -11.308 4.810 1.00 3.09 H new ATOM 0 HA ASP B 90 22.973 -10.629 3.669 1.00 3.43 H new ATOM 0 HB2 ASP B 90 23.879 -10.120 6.045 1.00 4.37 H new ATOM 0 HB3 ASP B 90 24.851 -11.566 5.858 1.00 4.37 H new ATOM 2963 N ASN B 91 23.604 -13.784 4.073 1.00 4.56 N ATOM 2964 CA ASN B 91 23.970 -15.054 3.454 1.00 6.14 C ATOM 2965 C ASN B 91 23.002 -15.541 2.343 1.00 7.11 C ATOM 2966 O ASN B 91 23.277 -16.576 1.731 1.00 8.36 O ATOM 2967 CB ASN B 91 24.064 -16.064 4.613 1.00 7.35 C ATOM 2968 CG ASN B 91 24.579 -17.431 4.192 1.00 8.65 C ATOM 2969 OD1 ASN B 91 23.892 -18.441 4.304 1.00 9.82 O ATOM 2970 ND2 ASN B 91 25.800 -17.509 3.694 1.00 8.87 N ATOM 0 H ASN B 91 23.161 -13.915 4.982 1.00 4.56 H new ATOM 0 HA ASN B 91 24.913 -14.939 2.920 1.00 6.14 H new ATOM 0 HB2 ASN B 91 24.721 -15.660 5.383 1.00 7.35 H new ATOM 0 HB3 ASN B 91 23.078 -16.180 5.063 1.00 7.35 H new ATOM 0 HD21 ASN B 91 26.175 -18.411 3.401 1.00 8.87 H new ATOM 0 HD22 ASN B 91 26.368 -16.667 3.602 1.00 8.87 H new ATOM 2977 N LYS B 92 21.858 -14.869 2.135 1.00 7.04 N ATOM 2978 CA LYS B 92 20.715 -15.317 1.306 1.00 8.63 C ATOM 2979 C LYS B 92 20.294 -14.295 0.249 1.00 8.92 C ATOM 2980 O LYS B 92 19.885 -13.186 0.659 1.00 8.42 O ATOM 2981 CB LYS B 92 19.496 -15.625 2.198 1.00 9.49 C ATOM 2982 CG LYS B 92 19.728 -16.640 3.323 1.00 10.16 C ATOM 2983 CD LYS B 92 20.255 -17.989 2.818 1.00 10.81 C ATOM 2984 CE LYS B 92 20.291 -19.048 3.926 1.00 12.09 C ATOM 2985 NZ LYS B 92 21.183 -18.649 5.035 1.00 11.86 N ATOM 2986 OXT LYS B 92 20.292 -14.688 -0.936 1.00 10.06 O ATOM 0 H LYS B 92 21.692 -13.956 2.558 1.00 7.04 H new ATOM 0 HA LYS B 92 21.057 -16.212 0.787 1.00 8.63 H new ATOM 0 HB2 LYS B 92 19.151 -14.692 2.643 1.00 9.49 H new ATOM 0 HB3 LYS B 92 18.690 -15.993 1.563 1.00 9.49 H new ATOM 0 HG2 LYS B 92 20.438 -16.224 4.038 1.00 10.16 H new ATOM 0 HG3 LYS B 92 18.792 -16.800 3.859 1.00 10.16 H new ATOM 0 HD2 LYS B 92 19.624 -18.341 2.002 1.00 10.81 H new ATOM 0 HD3 LYS B 92 21.258 -17.856 2.412 1.00 10.81 H new ATOM 0 HE2 LYS B 92 19.283 -19.208 4.309 1.00 12.09 H new ATOM 0 HE3 LYS B 92 20.629 -19.998 3.511 1.00 12.09 H new ATOM 0 HZ1 LYS B 92 21.289 -19.443 5.698 1.00 11.86 H new ATOM 0 HZ2 LYS B 92 22.115 -18.390 4.654 1.00 11.86 H new ATOM 0 HZ3 LYS B 92 20.773 -17.833 5.534 1.00 11.86 H new TER 3000 LYS B 92