USER MOD reduce.3.24.130724 H: found=0, std=0, add=1373, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 1371 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 80 CYS SG : rot 180:sc= 0.488 USER MOD Set 1.2: B 84 ASN : amide:sc= 0.6 K(o=1.1,f=-0.42!) USER MOD Set 2.1: B 32 LYS NZ :NH3+ 175:sc= 2.08 (180deg=1.9) USER MOD Set 2.2: B 63 SER OG : rot 72:sc= 0.956 USER MOD Set 3.1: B 25 SER OG : rot -83:sc= 0.294 USER MOD Set 3.2: B 26 LYS NZ :NH3+ 177:sc= -0.703 (180deg=-1.04) USER MOD Set 4.1: A 80 CYS SG : rot -34:sc= 0.0104 USER MOD Set 4.2: A 84 ASN : amide:sc= 0.64 K(o=0.65,f=-1) USER MOD Set 5.1: A 77 THR OG1 : rot 85:sc= 0.98 USER MOD Set 5.2: B 73 SER OG : rot -99:sc= 1.21 USER MOD Set 6.1: A 73 SER OG : rot 159:sc= 1.19 USER MOD Set 6.2: B 77 THR OG1 : rot 71:sc= 2.22 USER MOD Set 7.1: A 62 ASN : amide:sc= 0.492 K(o=-0.092,f=-0.69) USER MOD Set 7.2: A 65 GLN : amide:sc= -0.584! K(o=-0.092!,f=-0.69) USER MOD Set 8.1: A 58 SER OG : rot 113:sc= 1.85 USER MOD Set 8.2: A 61 LYS NZ :NH3+ -109:sc= 1.78 (180deg=0.173) USER MOD Set 9.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 9.2: A 43 CYS SG : rot -50:sc= -0.0739 USER MOD Set10.1: A 32 LYS NZ :NH3+ -145:sc= 1.14 (180deg=1.01) USER MOD Set10.2: A 63 SER OG : rot -86:sc= 2.07 USER MOD Set11.1: A 25 SER OG : rot -171:sc= 1.32 USER MOD Set11.2: A 28 THR OG1 : rot 126:sc= 2.12 USER MOD Set12.1: A 15 THR OG1 : rot -71:sc= 1.01 USER MOD Set12.2: A 72 TYR OH : rot 135:sc= 0.123 USER MOD Single : A 3 THR OG1 : rot -144:sc= 1.71 USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= 0.809 (180deg=0.119) USER MOD Single : A 10 THR OG1 : rot 66:sc= 1.16 USER MOD Single : A 11 THR OG1 : rot 66:sc= 1.12 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 77:sc= 1.28 USER MOD Single : A 17 HIS : no HE2:sc= -0.297 K(o=-0.3,f=-1.4) USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= -0.0263 (180deg=-0.208) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 178:sc= 1.8 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -41:sc= 0.689 USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 1.32 (180deg=1.26) USER MOD Single : A 40 LYS NZ :NH3+ -118:sc= 1.3 (180deg=-0.903) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 0.532 (180deg=0.328) USER MOD Single : A 50 SER OG : rot -112:sc= 0.223 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 2.14 (180deg=1.73) USER MOD Single : A 70 LYS NZ :NH3+ -118:sc= 1.23 (180deg=-0.191) USER MOD Single : A 78 MET CE :methyl 138:sc= -0.0558 (180deg=-1.61) USER MOD Single : A 81 MET CE :methyl 180:sc= -0.0379 (180deg=-0.0379) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 143:sc= 1.74 USER MOD Single : B 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.025) USER MOD Single : B 10 THR OG1 : rot 57:sc= 1.25 USER MOD Single : B 11 THR OG1 : rot 72:sc= 0.85 USER MOD Single : B 12 MET CE :methyl 156:sc= -0.0102 (180deg=-0.427) USER MOD Single : B 14 THR OG1 : rot 92:sc= 1.22 USER MOD Single : B 15 THR OG1 : rot 165:sc= 1.24 USER MOD Single : B 17 HIS : no HE2:sc= 0.759 K(o=0.76,f=-2.4!) USER MOD Single : B 18 LYS NZ :NH3+ -173:sc= 2.2 (180deg=2.06) USER MOD Single : B 19 TYR OH : rot 30:sc= 0 USER MOD Single : B 20 SER OG : rot 165:sc= 1.83 USER MOD Single : B 28 THR OG1 : rot 115:sc= 1.16 USER MOD Single : B 30 SER OG : rot -92:sc= 1.41 USER MOD Single : B 35 LYS NZ :NH3+ 179:sc= 2.2 (180deg=2.15) USER MOD Single : B 39 LYS NZ :NH3+ 172:sc= 0.419 (180deg=0.22) USER MOD Single : B 40 LYS NZ :NH3+ -156:sc= -0.389 (180deg=-2.76!) USER MOD Single : B 43 CYS SG : rot 180:sc= -0.116 USER MOD Single : B 47 MET CE :methyl 162:sc= -1.05 (180deg=-1.75) USER MOD Single : B 48 LYS NZ :NH3+ 173:sc= 2.33 (180deg=1.94) USER MOD Single : B 50 SER OG : rot -65:sc= 1.27 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 56 MET CE :methyl 167:sc= -0.31 (180deg=-0.696) USER MOD Single : B 57 LYS NZ :NH3+ 178:sc= 0.42 (180deg=0.288) USER MOD Single : B 58 SER OG : rot 81:sc= 0.811 USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 65 GLN : amide:sc= 0.275 K(o=0.28,f=-2.9!) USER MOD Single : B 70 LYS NZ :NH3+ 174:sc= 1.14 (180deg=1.11) USER MOD Single : B 72 TYR OH : rot -148:sc= -0.0979 USER MOD Single : B 78 MET CE :methyl 142:sc= 0 (180deg=-0.826) USER MOD Single : B 81 MET CE :methyl 148:sc= 0 (180deg=-0.562) USER MOD Single : B 83 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 9.723 3.176 21.034 1.00 1.63 N ATOM 18 CA GLU A 2 8.274 3.183 21.264 1.00 1.70 C ATOM 19 C GLU A 2 7.738 4.618 21.214 1.00 1.31 C ATOM 20 O GLU A 2 7.223 5.181 22.183 1.00 1.69 O ATOM 21 CB GLU A 2 7.842 2.357 22.483 1.00 2.93 C ATOM 22 CG GLU A 2 6.312 2.190 22.640 1.00 4.45 C ATOM 23 CD GLU A 2 5.575 1.466 21.503 1.00 5.28 C ATOM 24 OE1 GLU A 2 6.190 0.742 20.688 1.00 5.43 O ATOM 25 OE2 GLU A 2 4.325 1.552 21.452 1.00 6.27 O ATOM 0 HA GLU A 2 7.791 2.650 20.445 1.00 1.70 H new ATOM 0 HB2 GLU A 2 8.297 1.369 22.415 1.00 2.93 H new ATOM 0 HB3 GLU A 2 8.237 2.828 23.383 1.00 2.93 H new ATOM 0 HG2 GLU A 2 6.123 1.649 23.567 1.00 4.45 H new ATOM 0 HG3 GLU A 2 5.872 3.181 22.754 1.00 4.45 H new ATOM 32 N THR A 3 7.873 5.217 20.029 1.00 0.92 N ATOM 33 CA THR A 3 6.973 6.304 19.598 1.00 0.97 C ATOM 34 C THR A 3 5.765 5.710 18.857 1.00 1.11 C ATOM 35 O THR A 3 5.851 4.588 18.346 1.00 1.14 O ATOM 36 CB THR A 3 7.669 7.411 18.777 1.00 1.08 C ATOM 37 OG1 THR A 3 7.382 7.258 17.409 1.00 1.46 O ATOM 38 CG2 THR A 3 9.176 7.513 18.983 1.00 1.24 C ATOM 0 H THR A 3 8.592 4.973 19.348 1.00 0.92 H new ATOM 0 HA THR A 3 6.630 6.811 20.500 1.00 0.97 H new ATOM 0 HB THR A 3 7.257 8.347 19.154 1.00 1.08 H new ATOM 0 HG1 THR A 3 8.167 7.512 16.880 1.00 1.46 H new ATOM 0 HG21 THR A 3 9.574 8.318 18.365 1.00 1.24 H new ATOM 0 HG22 THR A 3 9.387 7.723 20.032 1.00 1.24 H new ATOM 0 HG23 THR A 3 9.646 6.571 18.700 1.00 1.24 H new ATOM 46 N PRO A 4 4.649 6.455 18.728 1.00 1.27 N ATOM 47 CA PRO A 4 3.503 5.993 17.961 1.00 1.37 C ATOM 48 C PRO A 4 3.834 5.857 16.471 1.00 1.23 C ATOM 49 O PRO A 4 3.468 4.834 15.892 1.00 1.28 O ATOM 50 CB PRO A 4 2.382 7.001 18.235 1.00 1.62 C ATOM 51 CG PRO A 4 3.121 8.276 18.635 1.00 1.61 C ATOM 52 CD PRO A 4 4.376 7.750 19.331 1.00 1.46 C ATOM 0 HA PRO A 4 3.195 4.991 18.262 1.00 1.37 H new ATOM 0 HB2 PRO A 4 1.763 7.159 17.352 1.00 1.62 H new ATOM 0 HB3 PRO A 4 1.721 6.657 19.030 1.00 1.62 H new ATOM 0 HG2 PRO A 4 3.368 8.887 17.767 1.00 1.61 H new ATOM 0 HG3 PRO A 4 2.522 8.897 19.301 1.00 1.61 H new ATOM 0 HD2 PRO A 4 5.215 8.431 19.191 1.00 1.46 H new ATOM 0 HD3 PRO A 4 4.217 7.656 20.405 1.00 1.46 H new ATOM 60 N LEU A 5 4.529 6.827 15.841 1.00 1.15 N ATOM 61 CA LEU A 5 4.873 6.708 14.415 1.00 1.08 C ATOM 62 C LEU A 5 5.915 5.633 14.188 1.00 0.88 C ATOM 63 O LEU A 5 5.686 4.773 13.350 1.00 1.04 O ATOM 64 CB LEU A 5 5.277 8.033 13.751 1.00 1.21 C ATOM 65 CG LEU A 5 5.540 7.906 12.220 1.00 1.29 C ATOM 66 CD1 LEU A 5 6.958 7.430 11.849 1.00 2.47 C ATOM 67 CD2 LEU A 5 4.478 7.129 11.430 1.00 3.44 C ATOM 0 H LEU A 5 4.856 7.683 16.289 1.00 1.15 H new ATOM 0 HA LEU A 5 3.951 6.408 13.918 1.00 1.08 H new ATOM 0 HB2 LEU A 5 4.490 8.768 13.917 1.00 1.21 H new ATOM 0 HB3 LEU A 5 6.176 8.414 14.236 1.00 1.21 H new ATOM 0 HG LEU A 5 5.456 8.944 11.899 1.00 1.29 H new ATOM 0 HD11 LEU A 5 7.050 7.371 10.764 1.00 2.47 H new ATOM 0 HD12 LEU A 5 7.692 8.136 12.238 1.00 2.47 H new ATOM 0 HD13 LEU A 5 7.136 6.446 12.282 1.00 2.47 H new ATOM 0 HD21 LEU A 5 4.757 7.100 10.377 1.00 3.44 H new ATOM 0 HD22 LEU A 5 4.410 6.112 11.816 1.00 3.44 H new ATOM 0 HD23 LEU A 5 3.512 7.623 11.536 1.00 3.44 H new ATOM 79 N GLU A 6 6.993 5.606 14.955 1.00 0.75 N ATOM 80 CA GLU A 6 7.985 4.534 14.911 1.00 0.93 C ATOM 81 C GLU A 6 7.323 3.140 14.918 1.00 1.11 C ATOM 82 O GLU A 6 7.734 2.235 14.183 1.00 1.37 O ATOM 83 CB GLU A 6 8.868 4.746 16.139 1.00 1.20 C ATOM 84 CG GLU A 6 10.080 3.829 16.239 1.00 1.64 C ATOM 85 CD GLU A 6 10.801 4.183 17.529 1.00 3.10 C ATOM 86 OE1 GLU A 6 11.480 5.234 17.595 1.00 4.63 O ATOM 87 OE2 GLU A 6 10.561 3.448 18.508 1.00 3.69 O ATOM 0 H GLU A 6 7.210 6.335 15.635 1.00 0.75 H new ATOM 0 HA GLU A 6 8.567 4.568 13.990 1.00 0.93 H new ATOM 0 HB2 GLU A 6 9.214 5.779 16.142 1.00 1.20 H new ATOM 0 HB3 GLU A 6 8.257 4.612 17.032 1.00 1.20 H new ATOM 0 HG2 GLU A 6 9.773 2.783 16.244 1.00 1.64 H new ATOM 0 HG3 GLU A 6 10.738 3.964 15.380 1.00 1.64 H new ATOM 94 N LYS A 7 6.213 2.971 15.648 1.00 1.14 N ATOM 95 CA LYS A 7 5.584 1.657 15.785 1.00 1.60 C ATOM 96 C LYS A 7 4.443 1.427 14.770 1.00 1.49 C ATOM 97 O LYS A 7 4.083 0.297 14.438 1.00 1.64 O ATOM 98 CB LYS A 7 5.295 1.410 17.265 1.00 2.41 C ATOM 99 CG LYS A 7 3.904 1.794 17.783 1.00 1.44 C ATOM 100 CD LYS A 7 2.911 0.629 17.675 1.00 2.59 C ATOM 101 CE LYS A 7 3.320 -0.667 18.410 1.00 3.57 C ATOM 102 NZ LYS A 7 3.965 -0.430 19.726 1.00 3.88 N ATOM 0 H LYS A 7 5.738 3.722 16.148 1.00 1.14 H new ATOM 0 HA LYS A 7 6.262 0.857 15.489 1.00 1.60 H new ATOM 0 HB2 LYS A 7 5.449 0.350 17.467 1.00 2.41 H new ATOM 0 HB3 LYS A 7 6.035 1.957 17.849 1.00 2.41 H new ATOM 0 HG2 LYS A 7 3.979 2.112 18.823 1.00 1.44 H new ATOM 0 HG3 LYS A 7 3.528 2.645 17.216 1.00 1.44 H new ATOM 0 HD2 LYS A 7 1.948 0.958 18.065 1.00 2.59 H new ATOM 0 HD3 LYS A 7 2.765 0.396 16.620 1.00 2.59 H new ATOM 0 HE2 LYS A 7 2.435 -1.286 18.556 1.00 3.57 H new ATOM 0 HE3 LYS A 7 4.004 -1.233 17.777 1.00 3.57 H new ATOM 0 HZ1 LYS A 7 3.817 -1.257 20.339 1.00 3.88 H new ATOM 0 HZ2 LYS A 7 4.985 -0.277 19.590 1.00 3.88 H new ATOM 0 HZ3 LYS A 7 3.545 0.411 20.172 1.00 3.88 H new ATOM 116 N ALA A 8 3.932 2.507 14.190 1.00 1.40 N ATOM 117 CA ALA A 8 3.157 2.529 12.950 1.00 1.42 C ATOM 118 C ALA A 8 4.022 2.207 11.721 1.00 0.96 C ATOM 119 O ALA A 8 3.653 1.325 10.963 1.00 0.88 O ATOM 120 CB ALA A 8 2.492 3.895 12.822 1.00 1.86 C ATOM 0 H ALA A 8 4.052 3.438 14.590 1.00 1.40 H new ATOM 0 HA ALA A 8 2.395 1.750 12.991 1.00 1.42 H new ATOM 0 HB1 ALA A 8 1.909 3.931 11.902 1.00 1.86 H new ATOM 0 HB2 ALA A 8 1.834 4.061 13.675 1.00 1.86 H new ATOM 0 HB3 ALA A 8 3.257 4.671 12.797 1.00 1.86 H new ATOM 126 N LEU A 9 5.200 2.807 11.542 1.00 0.80 N ATOM 127 CA LEU A 9 6.233 2.317 10.622 1.00 0.77 C ATOM 128 C LEU A 9 6.563 0.840 10.892 1.00 0.66 C ATOM 129 O LEU A 9 6.670 0.067 9.933 1.00 0.72 O ATOM 130 CB LEU A 9 7.489 3.216 10.732 1.00 0.96 C ATOM 131 CG LEU A 9 7.826 4.041 9.475 1.00 0.76 C ATOM 132 CD1 LEU A 9 8.301 3.149 8.319 1.00 0.89 C ATOM 133 CD2 LEU A 9 6.658 4.923 9.005 1.00 1.19 C ATOM 0 H LEU A 9 5.469 3.657 12.037 1.00 0.80 H new ATOM 0 HA LEU A 9 5.857 2.371 9.600 1.00 0.77 H new ATOM 0 HB2 LEU A 9 7.352 3.901 11.569 1.00 0.96 H new ATOM 0 HB3 LEU A 9 8.345 2.586 10.972 1.00 0.96 H new ATOM 0 HG LEU A 9 8.641 4.702 9.771 1.00 0.76 H new ATOM 0 HD11 LEU A 9 8.529 3.768 7.451 1.00 0.89 H new ATOM 0 HD12 LEU A 9 9.196 2.606 8.622 1.00 0.89 H new ATOM 0 HD13 LEU A 9 7.516 2.438 8.061 1.00 0.89 H new ATOM 0 HD21 LEU A 9 6.957 5.479 8.117 1.00 1.19 H new ATOM 0 HD22 LEU A 9 5.800 4.294 8.768 1.00 1.19 H new ATOM 0 HD23 LEU A 9 6.388 5.622 9.797 1.00 1.19 H new ATOM 145 N THR A 10 6.597 0.409 12.165 1.00 0.63 N ATOM 146 CA THR A 10 6.761 -1.018 12.508 1.00 0.75 C ATOM 147 C THR A 10 5.572 -1.844 12.010 1.00 0.71 C ATOM 148 O THR A 10 5.780 -2.915 11.446 1.00 0.78 O ATOM 149 CB THR A 10 7.036 -1.242 13.995 1.00 1.07 C ATOM 150 OG1 THR A 10 8.180 -0.506 14.362 1.00 1.27 O ATOM 151 CG2 THR A 10 7.353 -2.708 14.291 1.00 1.58 C ATOM 0 H THR A 10 6.513 1.026 12.973 1.00 0.63 H new ATOM 0 HA THR A 10 7.651 -1.370 11.986 1.00 0.75 H new ATOM 0 HB THR A 10 6.146 -0.935 14.545 1.00 1.07 H new ATOM 0 HG1 THR A 10 7.990 0.453 14.287 1.00 1.27 H new ATOM 0 HG21 THR A 10 7.543 -2.831 15.357 1.00 1.58 H new ATOM 0 HG22 THR A 10 6.506 -3.329 13.999 1.00 1.58 H new ATOM 0 HG23 THR A 10 8.236 -3.010 13.728 1.00 1.58 H new ATOM 159 N THR A 11 4.341 -1.320 12.127 1.00 0.69 N ATOM 160 CA THR A 11 3.093 -1.898 11.576 1.00 0.69 C ATOM 161 C THR A 11 3.161 -2.004 10.051 1.00 0.56 C ATOM 162 O THR A 11 2.742 -3.024 9.510 1.00 0.53 O ATOM 163 CB THR A 11 1.862 -1.076 12.011 1.00 0.81 C ATOM 164 OG1 THR A 11 1.826 -0.955 13.418 1.00 1.10 O ATOM 165 CG2 THR A 11 0.523 -1.682 11.577 1.00 0.89 C ATOM 0 H THR A 11 4.176 -0.447 12.627 1.00 0.69 H new ATOM 0 HA THR A 11 2.988 -2.905 11.980 1.00 0.69 H new ATOM 0 HB THR A 11 1.978 -0.111 11.518 1.00 0.81 H new ATOM 0 HG1 THR A 11 2.594 -0.427 13.721 1.00 1.10 H new ATOM 0 HG21 THR A 11 -0.293 -1.046 11.921 1.00 0.89 H new ATOM 0 HG22 THR A 11 0.492 -1.756 10.490 1.00 0.89 H new ATOM 0 HG23 THR A 11 0.416 -2.676 12.011 1.00 0.89 H new ATOM 173 N MET A 12 3.741 -1.017 9.353 1.00 0.57 N ATOM 174 CA MET A 12 3.950 -1.064 7.895 1.00 0.57 C ATOM 175 C MET A 12 4.944 -2.146 7.495 1.00 0.58 C ATOM 176 O MET A 12 4.606 -2.997 6.679 1.00 0.56 O ATOM 177 CB MET A 12 4.416 0.282 7.320 1.00 0.62 C ATOM 178 CG MET A 12 3.357 1.361 7.488 1.00 1.08 C ATOM 179 SD MET A 12 3.775 2.937 6.712 1.00 1.19 S ATOM 180 CE MET A 12 3.146 2.636 5.045 1.00 0.85 C ATOM 0 H MET A 12 4.081 -0.158 9.785 1.00 0.57 H new ATOM 0 HA MET A 12 2.974 -1.301 7.472 1.00 0.57 H new ATOM 0 HB2 MET A 12 5.334 0.592 7.818 1.00 0.62 H new ATOM 0 HB3 MET A 12 4.651 0.164 6.262 1.00 0.62 H new ATOM 0 HG2 MET A 12 2.418 1.000 7.069 1.00 1.08 H new ATOM 0 HG3 MET A 12 3.189 1.526 8.552 1.00 1.08 H new ATOM 0 HE1 MET A 12 3.323 3.515 4.425 1.00 0.85 H new ATOM 0 HE2 MET A 12 3.659 1.778 4.612 1.00 0.85 H new ATOM 0 HE3 MET A 12 2.076 2.434 5.091 1.00 0.85 H new ATOM 190 N VAL A 13 6.146 -2.171 8.085 1.00 0.70 N ATOM 191 CA VAL A 13 7.109 -3.243 7.744 1.00 0.80 C ATOM 192 C VAL A 13 6.589 -4.636 8.145 1.00 0.82 C ATOM 193 O VAL A 13 6.885 -5.610 7.454 1.00 0.91 O ATOM 194 CB VAL A 13 8.541 -3.004 8.270 1.00 0.91 C ATOM 195 CG1 VAL A 13 9.134 -1.717 7.670 1.00 0.95 C ATOM 196 CG2 VAL A 13 8.626 -2.939 9.795 1.00 0.94 C ATOM 0 H VAL A 13 6.473 -1.494 8.774 1.00 0.70 H new ATOM 0 HA VAL A 13 7.188 -3.209 6.657 1.00 0.80 H new ATOM 0 HB VAL A 13 9.122 -3.869 7.951 1.00 0.91 H new ATOM 0 HG11 VAL A 13 10.143 -1.568 8.054 1.00 0.95 H new ATOM 0 HG12 VAL A 13 9.168 -1.804 6.584 1.00 0.95 H new ATOM 0 HG13 VAL A 13 8.511 -0.866 7.946 1.00 0.95 H new ATOM 0 HG21 VAL A 13 9.660 -2.769 10.095 1.00 0.94 H new ATOM 0 HG22 VAL A 13 8.004 -2.122 10.160 1.00 0.94 H new ATOM 0 HG23 VAL A 13 8.275 -3.880 10.219 1.00 0.94 H new ATOM 206 N THR A 14 5.742 -4.733 9.184 1.00 0.79 N ATOM 207 CA THR A 14 5.041 -5.967 9.571 1.00 0.85 C ATOM 208 C THR A 14 4.036 -6.388 8.503 1.00 0.89 C ATOM 209 O THR A 14 4.117 -7.529 8.055 1.00 1.09 O ATOM 210 CB THR A 14 4.366 -5.821 10.940 1.00 0.85 C ATOM 211 OG1 THR A 14 5.350 -5.532 11.900 1.00 1.03 O ATOM 212 CG2 THR A 14 3.672 -7.107 11.394 1.00 1.18 C ATOM 0 H THR A 14 5.522 -3.941 9.788 1.00 0.79 H new ATOM 0 HA THR A 14 5.788 -6.757 9.655 1.00 0.85 H new ATOM 0 HB THR A 14 3.622 -5.030 10.845 1.00 0.85 H new ATOM 0 HG1 THR A 14 5.613 -4.591 11.826 1.00 1.03 H new ATOM 0 HG21 THR A 14 3.211 -6.947 12.369 1.00 1.18 H new ATOM 0 HG22 THR A 14 2.904 -7.381 10.670 1.00 1.18 H new ATOM 0 HG23 THR A 14 4.405 -7.910 11.467 1.00 1.18 H new ATOM 220 N THR A 15 3.119 -5.508 8.078 1.00 0.75 N ATOM 221 CA THR A 15 2.078 -5.810 7.066 1.00 0.75 C ATOM 222 C THR A 15 2.646 -6.079 5.686 1.00 0.84 C ATOM 223 O THR A 15 2.116 -6.933 4.983 1.00 1.06 O ATOM 224 CB THR A 15 1.010 -4.722 6.968 1.00 0.70 C ATOM 225 OG1 THR A 15 1.550 -3.432 7.090 1.00 1.26 O ATOM 226 CG2 THR A 15 -0.034 -4.946 8.052 1.00 0.92 C ATOM 0 H THR A 15 3.073 -4.551 8.428 1.00 0.75 H new ATOM 0 HA THR A 15 1.610 -6.726 7.428 1.00 0.75 H new ATOM 0 HB THR A 15 0.555 -4.790 5.980 1.00 0.70 H new ATOM 0 HG1 THR A 15 1.835 -3.283 8.016 1.00 1.26 H new ATOM 0 HG21 THR A 15 -0.799 -4.172 7.986 1.00 0.92 H new ATOM 0 HG22 THR A 15 -0.495 -5.924 7.916 1.00 0.92 H new ATOM 0 HG23 THR A 15 0.443 -4.903 9.031 1.00 0.92 H new ATOM 234 N PHE A 16 3.757 -5.440 5.322 1.00 0.76 N ATOM 235 CA PHE A 16 4.512 -5.766 4.119 1.00 0.77 C ATOM 236 C PHE A 16 5.185 -7.145 4.240 1.00 0.78 C ATOM 237 O PHE A 16 4.986 -7.977 3.362 1.00 0.79 O ATOM 238 CB PHE A 16 5.512 -4.620 3.868 1.00 0.80 C ATOM 239 CG PHE A 16 6.401 -4.748 2.646 1.00 0.79 C ATOM 240 CD1 PHE A 16 5.944 -4.334 1.380 1.00 1.98 C ATOM 241 CD2 PHE A 16 7.720 -5.222 2.783 1.00 1.61 C ATOM 242 CE1 PHE A 16 6.793 -4.407 0.259 1.00 1.97 C ATOM 243 CE2 PHE A 16 8.559 -5.311 1.659 1.00 1.61 C ATOM 244 CZ PHE A 16 8.096 -4.924 0.389 1.00 0.76 C ATOM 0 H PHE A 16 4.160 -4.674 5.861 1.00 0.76 H new ATOM 0 HA PHE A 16 3.851 -5.849 3.256 1.00 0.77 H new ATOM 0 HB2 PHE A 16 4.950 -3.690 3.784 1.00 0.80 H new ATOM 0 HB3 PHE A 16 6.151 -4.528 4.746 1.00 0.80 H new ATOM 0 HD1 PHE A 16 4.937 -3.959 1.268 1.00 1.98 H new ATOM 0 HD2 PHE A 16 8.088 -5.518 3.754 1.00 1.61 H new ATOM 0 HE1 PHE A 16 6.443 -4.065 -0.704 1.00 1.97 H new ATOM 0 HE2 PHE A 16 9.568 -5.680 1.772 1.00 1.61 H new ATOM 0 HZ PHE A 16 8.733 -5.022 -0.477 1.00 0.76 H new ATOM 254 N HIS A 17 5.907 -7.449 5.323 1.00 0.84 N ATOM 255 CA HIS A 17 6.557 -8.759 5.546 1.00 0.87 C ATOM 256 C HIS A 17 5.549 -9.912 5.808 1.00 0.81 C ATOM 257 O HIS A 17 5.881 -11.095 5.725 1.00 0.87 O ATOM 258 CB HIS A 17 7.593 -8.596 6.670 1.00 1.14 C ATOM 259 CG HIS A 17 8.609 -9.711 6.787 1.00 1.35 C ATOM 260 ND1 HIS A 17 8.352 -11.022 7.108 1.00 1.93 N ATOM 261 CD2 HIS A 17 9.963 -9.600 6.634 1.00 1.75 C ATOM 262 CE1 HIS A 17 9.523 -11.677 7.171 1.00 2.19 C ATOM 263 NE2 HIS A 17 10.543 -10.849 6.901 1.00 1.97 N ATOM 0 H HIS A 17 6.063 -6.788 6.084 1.00 0.84 H new ATOM 0 HA HIS A 17 7.063 -9.064 4.630 1.00 0.87 H new ATOM 0 HB2 HIS A 17 8.126 -7.658 6.516 1.00 1.14 H new ATOM 0 HB3 HIS A 17 7.063 -8.510 7.619 1.00 1.14 H new ATOM 0 HD1 HIS A 17 7.431 -11.428 7.271 1.00 1.93 H new ATOM 0 HD2 HIS A 17 10.496 -8.703 6.355 1.00 1.75 H new ATOM 0 HE1 HIS A 17 9.629 -12.726 7.407 1.00 2.19 H new ATOM 272 N LYS A 18 4.274 -9.590 6.054 1.00 0.91 N ATOM 273 CA LYS A 18 3.144 -10.532 6.004 1.00 1.04 C ATOM 274 C LYS A 18 2.990 -11.181 4.609 1.00 0.89 C ATOM 275 O LYS A 18 2.377 -12.245 4.502 1.00 1.04 O ATOM 276 CB LYS A 18 1.873 -9.763 6.433 1.00 1.28 C ATOM 277 CG LYS A 18 0.833 -10.514 7.276 1.00 1.47 C ATOM 278 CD LYS A 18 0.018 -11.591 6.535 1.00 1.80 C ATOM 279 CE LYS A 18 0.543 -13.021 6.746 1.00 2.88 C ATOM 280 NZ LYS A 18 0.404 -13.473 8.153 1.00 3.98 N ATOM 0 H LYS A 18 3.989 -8.642 6.300 1.00 0.91 H new ATOM 0 HA LYS A 18 3.322 -11.362 6.687 1.00 1.04 H new ATOM 0 HB2 LYS A 18 2.187 -8.883 6.995 1.00 1.28 H new ATOM 0 HB3 LYS A 18 1.377 -9.405 5.531 1.00 1.28 H new ATOM 0 HG2 LYS A 18 1.345 -10.986 8.114 1.00 1.47 H new ATOM 0 HG3 LYS A 18 0.139 -9.786 7.696 1.00 1.47 H new ATOM 0 HD2 LYS A 18 -1.019 -11.542 6.868 1.00 1.80 H new ATOM 0 HD3 LYS A 18 0.021 -11.366 5.468 1.00 1.80 H new ATOM 0 HE2 LYS A 18 0.001 -13.704 6.092 1.00 2.88 H new ATOM 0 HE3 LYS A 18 1.592 -13.067 6.455 1.00 2.88 H new ATOM 0 HZ1 LYS A 18 0.477 -14.510 8.193 1.00 3.98 H new ATOM 0 HZ2 LYS A 18 1.159 -13.050 8.730 1.00 3.98 H new ATOM 0 HZ3 LYS A 18 -0.521 -13.176 8.523 1.00 3.98 H new ATOM 294 N TYR A 19 3.550 -10.555 3.567 1.00 0.70 N ATOM 295 CA TYR A 19 3.648 -11.028 2.184 1.00 0.67 C ATOM 296 C TYR A 19 5.127 -11.147 1.734 1.00 0.83 C ATOM 297 O TYR A 19 5.561 -12.226 1.323 1.00 1.44 O ATOM 298 CB TYR A 19 2.880 -10.047 1.279 1.00 0.69 C ATOM 299 CG TYR A 19 1.372 -10.025 1.476 1.00 0.78 C ATOM 300 CD1 TYR A 19 0.784 -9.262 2.510 1.00 1.71 C ATOM 301 CD2 TYR A 19 0.542 -10.752 0.597 1.00 2.04 C ATOM 302 CE1 TYR A 19 -0.612 -9.239 2.665 1.00 1.71 C ATOM 303 CE2 TYR A 19 -0.859 -10.720 0.739 1.00 2.29 C ATOM 304 CZ TYR A 19 -1.446 -9.962 1.777 1.00 1.29 C ATOM 305 OH TYR A 19 -2.801 -9.931 1.915 1.00 1.62 O ATOM 0 H TYR A 19 3.978 -9.636 3.679 1.00 0.70 H new ATOM 0 HA TYR A 19 3.210 -12.024 2.109 1.00 0.67 H new ATOM 0 HB2 TYR A 19 3.267 -9.042 1.450 1.00 0.69 H new ATOM 0 HB3 TYR A 19 3.090 -10.297 0.239 1.00 0.69 H new ATOM 0 HD1 TYR A 19 1.410 -8.695 3.183 1.00 1.71 H new ATOM 0 HD2 TYR A 19 0.986 -11.339 -0.193 1.00 2.04 H new ATOM 0 HE1 TYR A 19 -1.053 -8.666 3.467 1.00 1.71 H new ATOM 0 HE2 TYR A 19 -1.484 -11.275 0.055 1.00 2.29 H new ATOM 0 HH TYR A 19 -3.213 -10.483 1.218 1.00 1.62 H new ATOM 315 N SER A 20 5.891 -10.058 1.819 1.00 1.14 N ATOM 316 CA SER A 20 7.319 -9.892 1.488 1.00 1.45 C ATOM 317 C SER A 20 8.220 -10.550 2.545 1.00 2.04 C ATOM 318 O SER A 20 8.889 -9.875 3.326 1.00 3.88 O ATOM 319 CB SER A 20 7.648 -8.392 1.413 1.00 1.81 C ATOM 320 OG SER A 20 6.712 -7.665 0.640 1.00 3.18 O ATOM 0 H SER A 20 5.493 -9.180 2.153 1.00 1.14 H new ATOM 0 HA SER A 20 7.505 -10.375 0.529 1.00 1.45 H new ATOM 0 HB2 SER A 20 7.678 -7.980 2.422 1.00 1.81 H new ATOM 0 HB3 SER A 20 8.643 -8.263 0.987 1.00 1.81 H new ATOM 0 HG SER A 20 6.951 -6.715 0.646 1.00 3.18 H new ATOM 326 N GLY A 21 8.168 -11.879 2.628 1.00 1.41 N ATOM 327 CA GLY A 21 8.844 -12.636 3.683 1.00 1.65 C ATOM 328 C GLY A 21 8.362 -14.066 3.909 1.00 1.64 C ATOM 329 O GLY A 21 8.766 -14.675 4.892 1.00 2.20 O ATOM 0 H GLY A 21 7.656 -12.462 1.966 1.00 1.41 H new ATOM 0 HA2 GLY A 21 9.909 -12.667 3.452 1.00 1.65 H new ATOM 0 HA3 GLY A 21 8.737 -12.088 4.619 1.00 1.65 H new ATOM 332 N ARG A 22 7.524 -14.620 3.024 1.00 1.39 N ATOM 333 CA ARG A 22 7.247 -16.066 2.984 1.00 1.72 C ATOM 334 C ARG A 22 8.383 -16.798 2.260 1.00 2.14 C ATOM 335 O ARG A 22 9.042 -17.662 2.822 1.00 3.17 O ATOM 336 CB ARG A 22 5.924 -16.337 2.253 1.00 1.70 C ATOM 337 CG ARG A 22 4.693 -15.772 2.982 1.00 2.07 C ATOM 338 CD ARG A 22 3.543 -15.594 1.989 1.00 1.96 C ATOM 339 NE ARG A 22 3.851 -14.503 1.053 1.00 2.38 N ATOM 340 CZ ARG A 22 3.177 -14.174 -0.034 1.00 2.88 C ATOM 341 NH1 ARG A 22 2.110 -14.812 -0.438 1.00 2.75 N ATOM 342 NH2 ARG A 22 3.567 -13.149 -0.748 1.00 4.46 N ATOM 0 H ARG A 22 7.020 -14.084 2.318 1.00 1.39 H new ATOM 0 HA ARG A 22 7.172 -16.431 4.008 1.00 1.72 H new ATOM 0 HB2 ARG A 22 5.975 -15.904 1.254 1.00 1.70 H new ATOM 0 HB3 ARG A 22 5.801 -17.413 2.129 1.00 1.70 H new ATOM 0 HG2 ARG A 22 4.392 -16.446 3.784 1.00 2.07 H new ATOM 0 HG3 ARG A 22 4.939 -14.816 3.444 1.00 2.07 H new ATOM 0 HD2 ARG A 22 3.380 -16.521 1.439 1.00 1.96 H new ATOM 0 HD3 ARG A 22 2.620 -15.375 2.525 1.00 1.96 H new ATOM 0 HE ARG A 22 4.674 -13.939 1.266 1.00 2.38 H new ATOM 0 HH11 ARG A 22 1.759 -15.608 0.095 1.00 2.75 H new ATOM 0 HH12 ARG A 22 1.628 -14.514 -1.286 1.00 2.75 H new ATOM 0 HH21 ARG A 22 4.386 -12.611 -0.464 1.00 4.46 H new ATOM 0 HH22 ARG A 22 3.052 -12.888 -1.589 1.00 4.46 H new ATOM 356 N GLU A 23 8.605 -16.416 1.001 1.00 1.69 N ATOM 357 CA GLU A 23 9.499 -17.034 0.026 1.00 2.12 C ATOM 358 C GLU A 23 10.084 -15.908 -0.846 1.00 2.18 C ATOM 359 O GLU A 23 9.516 -14.815 -0.917 1.00 3.41 O ATOM 360 CB GLU A 23 8.707 -18.020 -0.860 1.00 2.65 C ATOM 361 CG GLU A 23 8.166 -19.245 -0.108 1.00 3.75 C ATOM 362 CD GLU A 23 7.195 -20.032 -0.985 1.00 4.59 C ATOM 363 OE1 GLU A 23 7.672 -20.920 -1.721 1.00 5.49 O ATOM 364 OE2 GLU A 23 5.987 -19.708 -0.907 1.00 5.02 O ATOM 0 H GLU A 23 8.127 -15.605 0.609 1.00 1.69 H new ATOM 0 HA GLU A 23 10.294 -17.584 0.530 1.00 2.12 H new ATOM 0 HB2 GLU A 23 7.872 -17.490 -1.317 1.00 2.65 H new ATOM 0 HB3 GLU A 23 9.351 -18.360 -1.671 1.00 2.65 H new ATOM 0 HG2 GLU A 23 8.993 -19.887 0.194 1.00 3.75 H new ATOM 0 HG3 GLU A 23 7.662 -18.925 0.804 1.00 3.75 H new ATOM 371 N GLY A 24 11.223 -16.166 -1.494 1.00 2.34 N ATOM 372 CA GLY A 24 11.883 -15.239 -2.423 1.00 2.79 C ATOM 373 C GLY A 24 12.695 -14.145 -1.734 1.00 2.35 C ATOM 374 O GLY A 24 13.900 -14.052 -1.936 1.00 3.35 O ATOM 0 H GLY A 24 11.726 -17.047 -1.386 1.00 2.34 H new ATOM 0 HA2 GLY A 24 12.541 -15.807 -3.081 1.00 2.79 H new ATOM 0 HA3 GLY A 24 11.126 -14.773 -3.054 1.00 2.79 H new ATOM 377 N SER A 25 12.053 -13.311 -0.917 1.00 1.53 N ATOM 378 CA SER A 25 12.658 -12.076 -0.392 1.00 1.28 C ATOM 379 C SER A 25 11.952 -11.582 0.871 1.00 1.15 C ATOM 380 O SER A 25 10.741 -11.748 1.005 1.00 1.52 O ATOM 381 CB SER A 25 12.576 -10.998 -1.477 1.00 1.71 C ATOM 382 OG SER A 25 13.092 -9.740 -1.065 1.00 2.81 O ATOM 0 H SER A 25 11.097 -13.468 -0.597 1.00 1.53 H new ATOM 0 HA SER A 25 13.694 -12.286 -0.125 1.00 1.28 H new ATOM 0 HB2 SER A 25 13.124 -11.336 -2.356 1.00 1.71 H new ATOM 0 HB3 SER A 25 11.536 -10.874 -1.778 1.00 1.71 H new ATOM 0 HG SER A 25 12.880 -9.062 -1.740 1.00 2.81 H new ATOM 388 N LYS A 26 12.686 -10.930 1.783 1.00 1.24 N ATOM 389 CA LYS A 26 12.113 -10.280 2.974 1.00 1.24 C ATOM 390 C LYS A 26 11.909 -8.760 2.773 1.00 1.21 C ATOM 391 O LYS A 26 11.523 -8.034 3.692 1.00 1.40 O ATOM 392 CB LYS A 26 13.026 -10.617 4.161 1.00 1.57 C ATOM 393 CG LYS A 26 12.888 -12.092 4.589 1.00 1.40 C ATOM 394 CD LYS A 26 13.937 -12.511 5.628 1.00 1.69 C ATOM 395 CE LYS A 26 15.305 -12.698 4.953 1.00 2.70 C ATOM 396 NZ LYS A 26 16.355 -13.149 5.889 1.00 3.22 N ATOM 0 H LYS A 26 13.700 -10.837 1.717 1.00 1.24 H new ATOM 0 HA LYS A 26 11.110 -10.659 3.169 1.00 1.24 H new ATOM 0 HB2 LYS A 26 14.062 -10.412 3.892 1.00 1.57 H new ATOM 0 HB3 LYS A 26 12.781 -9.970 5.003 1.00 1.57 H new ATOM 0 HG2 LYS A 26 11.892 -12.255 5.000 1.00 1.40 H new ATOM 0 HG3 LYS A 26 12.979 -12.730 3.710 1.00 1.40 H new ATOM 0 HD2 LYS A 26 14.009 -11.754 6.409 1.00 1.69 H new ATOM 0 HD3 LYS A 26 13.631 -13.439 6.111 1.00 1.69 H new ATOM 0 HE2 LYS A 26 15.209 -13.424 4.146 1.00 2.70 H new ATOM 0 HE3 LYS A 26 15.611 -11.756 4.499 1.00 2.70 H new ATOM 0 HZ1 LYS A 26 17.254 -13.257 5.377 1.00 3.22 H new ATOM 0 HZ2 LYS A 26 16.471 -12.445 6.646 1.00 3.22 H new ATOM 0 HZ3 LYS A 26 16.081 -14.062 6.304 1.00 3.22 H new ATOM 410 N LEU A 27 12.207 -8.259 1.563 1.00 1.21 N ATOM 411 CA LEU A 27 12.240 -6.830 1.201 1.00 1.27 C ATOM 412 C LEU A 27 11.500 -6.487 -0.104 1.00 1.11 C ATOM 413 O LEU A 27 11.289 -5.301 -0.364 1.00 1.13 O ATOM 414 CB LEU A 27 13.710 -6.383 1.081 1.00 1.59 C ATOM 415 CG LEU A 27 14.520 -6.333 2.394 1.00 2.22 C ATOM 416 CD1 LEU A 27 15.952 -5.894 2.064 1.00 2.48 C ATOM 417 CD2 LEU A 27 13.922 -5.362 3.423 1.00 3.48 C ATOM 0 H LEU A 27 12.442 -8.864 0.776 1.00 1.21 H new ATOM 0 HA LEU A 27 11.715 -6.298 1.994 1.00 1.27 H new ATOM 0 HB2 LEU A 27 14.217 -7.058 0.392 1.00 1.59 H new ATOM 0 HB3 LEU A 27 13.730 -5.391 0.629 1.00 1.59 H new ATOM 0 HG LEU A 27 14.498 -7.328 2.839 1.00 2.22 H new ATOM 0 HD11 LEU A 27 16.540 -5.853 2.981 1.00 2.48 H new ATOM 0 HD12 LEU A 27 16.402 -6.609 1.376 1.00 2.48 H new ATOM 0 HD13 LEU A 27 15.933 -4.908 1.601 1.00 2.48 H new ATOM 0 HD21 LEU A 27 14.532 -5.368 4.326 1.00 3.48 H new ATOM 0 HD22 LEU A 27 13.902 -4.356 3.005 1.00 3.48 H new ATOM 0 HD23 LEU A 27 12.907 -5.673 3.669 1.00 3.48 H new ATOM 429 N THR A 28 11.092 -7.480 -0.897 1.00 1.05 N ATOM 430 CA THR A 28 10.380 -7.308 -2.170 1.00 1.00 C ATOM 431 C THR A 28 9.243 -8.326 -2.295 1.00 0.96 C ATOM 432 O THR A 28 9.175 -9.293 -1.533 1.00 1.03 O ATOM 433 CB THR A 28 11.335 -7.407 -3.373 1.00 1.08 C ATOM 434 OG1 THR A 28 12.065 -8.610 -3.313 1.00 1.16 O ATOM 435 CG2 THR A 28 12.344 -6.263 -3.450 1.00 1.19 C ATOM 0 H THR A 28 11.253 -8.460 -0.665 1.00 1.05 H new ATOM 0 HA THR A 28 9.951 -6.306 -2.174 1.00 1.00 H new ATOM 0 HB THR A 28 10.698 -7.360 -4.256 1.00 1.08 H new ATOM 0 HG1 THR A 28 11.961 -9.098 -4.156 1.00 1.16 H new ATOM 0 HG21 THR A 28 12.983 -6.400 -4.322 1.00 1.19 H new ATOM 0 HG22 THR A 28 11.813 -5.315 -3.534 1.00 1.19 H new ATOM 0 HG23 THR A 28 12.957 -6.257 -2.549 1.00 1.19 H new ATOM 443 N LEU A 29 8.355 -8.110 -3.266 1.00 0.92 N ATOM 444 CA LEU A 29 7.228 -8.991 -3.610 1.00 0.89 C ATOM 445 C LEU A 29 6.737 -8.705 -5.032 1.00 0.88 C ATOM 446 O LEU A 29 7.154 -7.738 -5.649 1.00 0.91 O ATOM 447 CB LEU A 29 6.084 -8.907 -2.567 1.00 0.87 C ATOM 448 CG LEU A 29 5.126 -7.692 -2.662 1.00 0.89 C ATOM 449 CD1 LEU A 29 4.004 -7.828 -1.618 1.00 0.98 C ATOM 450 CD2 LEU A 29 5.814 -6.339 -2.464 1.00 0.93 C ATOM 0 H LEU A 29 8.399 -7.283 -3.862 1.00 0.92 H new ATOM 0 HA LEU A 29 7.586 -10.020 -3.583 1.00 0.89 H new ATOM 0 HB2 LEU A 29 5.487 -9.815 -2.647 1.00 0.87 H new ATOM 0 HB3 LEU A 29 6.532 -8.907 -1.573 1.00 0.87 H new ATOM 0 HG LEU A 29 4.731 -7.706 -3.678 1.00 0.89 H new ATOM 0 HD11 LEU A 29 3.334 -6.971 -1.690 1.00 0.98 H new ATOM 0 HD12 LEU A 29 3.443 -8.744 -1.804 1.00 0.98 H new ATOM 0 HD13 LEU A 29 4.439 -7.866 -0.619 1.00 0.98 H new ATOM 0 HD21 LEU A 29 5.077 -5.540 -2.545 1.00 0.93 H new ATOM 0 HD22 LEU A 29 6.277 -6.307 -1.478 1.00 0.93 H new ATOM 0 HD23 LEU A 29 6.580 -6.205 -3.228 1.00 0.93 H new ATOM 462 N SER A 30 5.819 -9.503 -5.564 1.00 0.93 N ATOM 463 CA SER A 30 5.240 -9.230 -6.881 1.00 0.98 C ATOM 464 C SER A 30 4.148 -8.148 -6.816 1.00 0.92 C ATOM 465 O SER A 30 3.321 -8.170 -5.900 1.00 0.88 O ATOM 466 CB SER A 30 4.664 -10.517 -7.467 1.00 1.10 C ATOM 467 OG SER A 30 4.772 -10.484 -8.869 1.00 2.77 O ATOM 0 H SER A 30 5.458 -10.342 -5.109 1.00 0.93 H new ATOM 0 HA SER A 30 6.036 -8.854 -7.523 1.00 0.98 H new ATOM 0 HB2 SER A 30 5.198 -11.380 -7.071 1.00 1.10 H new ATOM 0 HB3 SER A 30 3.620 -10.627 -7.175 1.00 1.10 H new ATOM 0 HG SER A 30 4.555 -9.585 -9.193 1.00 2.77 H new ATOM 473 N ARG A 31 4.046 -7.243 -7.802 1.00 1.03 N ATOM 474 CA ARG A 31 2.981 -6.209 -7.805 1.00 1.05 C ATOM 475 C ARG A 31 1.550 -6.774 -7.731 1.00 1.04 C ATOM 476 O ARG A 31 0.644 -6.120 -7.215 1.00 1.05 O ATOM 477 CB ARG A 31 3.069 -5.229 -8.984 1.00 1.45 C ATOM 478 CG ARG A 31 4.378 -5.171 -9.781 1.00 1.31 C ATOM 479 CD ARG A 31 4.443 -3.954 -10.717 1.00 1.76 C ATOM 480 NE ARG A 31 4.204 -2.658 -10.048 1.00 2.10 N ATOM 481 CZ ARG A 31 5.016 -1.607 -10.013 1.00 2.31 C ATOM 482 NH1 ARG A 31 6.196 -1.600 -10.584 1.00 2.56 N ATOM 483 NH2 ARG A 31 4.664 -0.534 -9.350 1.00 3.06 N ATOM 0 H ARG A 31 4.677 -7.200 -8.602 1.00 1.03 H new ATOM 0 HA ARG A 31 3.179 -5.663 -6.883 1.00 1.05 H new ATOM 0 HB2 ARG A 31 2.266 -5.472 -9.680 1.00 1.45 H new ATOM 0 HB3 ARG A 31 2.867 -4.229 -8.601 1.00 1.45 H new ATOM 0 HG2 ARG A 31 5.220 -5.139 -9.089 1.00 1.31 H new ATOM 0 HG3 ARG A 31 4.483 -6.083 -10.368 1.00 1.31 H new ATOM 0 HD2 ARG A 31 5.423 -3.928 -11.193 1.00 1.76 H new ATOM 0 HD3 ARG A 31 3.707 -4.081 -11.511 1.00 1.76 H new ATOM 0 HE ARG A 31 3.315 -2.559 -9.558 1.00 2.10 H new ATOM 0 HH11 ARG A 31 6.526 -2.426 -11.083 1.00 2.56 H new ATOM 0 HH12 ARG A 31 6.784 -0.768 -10.530 1.00 2.56 H new ATOM 0 HH21 ARG A 31 3.769 -0.507 -8.862 1.00 3.06 H new ATOM 0 HH22 ARG A 31 5.285 0.274 -9.321 1.00 3.06 H new ATOM 497 N LYS A 32 1.363 -8.006 -8.202 1.00 1.06 N ATOM 498 CA LYS A 32 0.165 -8.833 -8.002 1.00 1.00 C ATOM 499 C LYS A 32 -0.279 -8.920 -6.522 1.00 1.03 C ATOM 500 O LYS A 32 -1.471 -8.804 -6.227 1.00 1.07 O ATOM 501 CB LYS A 32 0.523 -10.217 -8.587 1.00 0.99 C ATOM 502 CG LYS A 32 -0.625 -11.174 -8.952 1.00 1.37 C ATOM 503 CD LYS A 32 -1.704 -10.602 -9.892 1.00 2.47 C ATOM 504 CE LYS A 32 -1.979 -11.491 -11.120 1.00 3.25 C ATOM 505 NZ LYS A 32 -1.004 -11.251 -12.212 1.00 4.22 N ATOM 0 H LYS A 32 2.073 -8.480 -8.760 1.00 1.06 H new ATOM 0 HA LYS A 32 -0.697 -8.392 -8.502 1.00 1.00 H new ATOM 0 HB2 LYS A 32 1.118 -10.054 -9.485 1.00 0.99 H new ATOM 0 HB3 LYS A 32 1.164 -10.726 -7.868 1.00 0.99 H new ATOM 0 HG2 LYS A 32 -0.198 -12.062 -9.418 1.00 1.37 H new ATOM 0 HG3 LYS A 32 -1.108 -11.499 -8.031 1.00 1.37 H new ATOM 0 HD2 LYS A 32 -2.630 -10.471 -9.333 1.00 2.47 H new ATOM 0 HD3 LYS A 32 -1.394 -9.613 -10.230 1.00 2.47 H new ATOM 0 HE2 LYS A 32 -1.940 -12.539 -10.824 1.00 3.25 H new ATOM 0 HE3 LYS A 32 -2.988 -11.300 -11.487 1.00 3.25 H new ATOM 0 HZ1 LYS A 32 -1.481 -11.350 -13.131 1.00 4.22 H new ATOM 0 HZ2 LYS A 32 -0.615 -10.290 -12.125 1.00 4.22 H new ATOM 0 HZ3 LYS A 32 -0.232 -11.944 -12.146 1.00 4.22 H new ATOM 519 N GLU A 33 0.690 -9.046 -5.605 1.00 1.12 N ATOM 520 CA GLU A 33 0.509 -9.220 -4.159 1.00 1.11 C ATOM 521 C GLU A 33 0.327 -7.882 -3.426 1.00 1.08 C ATOM 522 O GLU A 33 -0.505 -7.804 -2.529 1.00 1.05 O ATOM 523 CB GLU A 33 1.719 -9.968 -3.567 1.00 1.15 C ATOM 524 CG GLU A 33 1.926 -11.393 -4.107 1.00 1.82 C ATOM 525 CD GLU A 33 1.015 -12.396 -3.402 1.00 1.73 C ATOM 526 OE1 GLU A 33 -0.192 -12.404 -3.713 1.00 2.90 O ATOM 527 OE2 GLU A 33 1.537 -13.112 -2.519 1.00 2.20 O ATOM 0 H GLU A 33 1.675 -9.028 -5.868 1.00 1.12 H new ATOM 0 HA GLU A 33 -0.402 -9.801 -4.016 1.00 1.11 H new ATOM 0 HB2 GLU A 33 2.619 -9.386 -3.764 1.00 1.15 H new ATOM 0 HB3 GLU A 33 1.602 -10.019 -2.484 1.00 1.15 H new ATOM 0 HG2 GLU A 33 1.727 -11.410 -5.179 1.00 1.82 H new ATOM 0 HG3 GLU A 33 2.967 -11.687 -3.971 1.00 1.82 H new ATOM 534 N LEU A 34 1.016 -6.800 -3.810 1.00 1.11 N ATOM 535 CA LEU A 34 0.747 -5.446 -3.284 1.00 1.12 C ATOM 536 C LEU A 34 -0.736 -5.073 -3.449 1.00 1.07 C ATOM 537 O LEU A 34 -1.415 -4.698 -2.489 1.00 0.98 O ATOM 538 CB LEU A 34 1.691 -4.461 -4.002 1.00 1.19 C ATOM 539 CG LEU A 34 1.387 -2.960 -3.808 1.00 1.41 C ATOM 540 CD1 LEU A 34 1.549 -2.560 -2.343 1.00 1.71 C ATOM 541 CD2 LEU A 34 2.310 -2.097 -4.682 1.00 1.46 C ATOM 0 H LEU A 34 1.774 -6.833 -4.492 1.00 1.11 H new ATOM 0 HA LEU A 34 0.943 -5.405 -2.213 1.00 1.12 H new ATOM 0 HB2 LEU A 34 2.708 -4.651 -3.660 1.00 1.19 H new ATOM 0 HB3 LEU A 34 1.667 -4.680 -5.069 1.00 1.19 H new ATOM 0 HG LEU A 34 0.354 -2.790 -4.111 1.00 1.41 H new ATOM 0 HD11 LEU A 34 1.330 -1.498 -2.229 1.00 1.71 H new ATOM 0 HD12 LEU A 34 0.860 -3.140 -1.729 1.00 1.71 H new ATOM 0 HD13 LEU A 34 2.573 -2.755 -2.024 1.00 1.71 H new ATOM 0 HD21 LEU A 34 2.077 -1.044 -4.528 1.00 1.46 H new ATOM 0 HD22 LEU A 34 3.349 -2.282 -4.408 1.00 1.46 H new ATOM 0 HD23 LEU A 34 2.161 -2.352 -5.731 1.00 1.46 H new ATOM 553 N LYS A 35 -1.264 -5.264 -4.664 1.00 1.13 N ATOM 554 CA LYS A 35 -2.688 -5.101 -4.972 1.00 1.09 C ATOM 555 C LYS A 35 -3.591 -5.932 -4.032 1.00 0.98 C ATOM 556 O LYS A 35 -4.699 -5.509 -3.705 1.00 1.04 O ATOM 557 CB LYS A 35 -2.860 -5.488 -6.455 1.00 1.10 C ATOM 558 CG LYS A 35 -4.283 -5.327 -7.012 1.00 1.64 C ATOM 559 CD LYS A 35 -5.002 -6.644 -7.360 1.00 1.52 C ATOM 560 CE LYS A 35 -5.216 -7.527 -6.126 1.00 2.67 C ATOM 561 NZ LYS A 35 -6.032 -8.732 -6.399 1.00 3.72 N ATOM 0 H LYS A 35 -0.705 -5.540 -5.472 1.00 1.13 H new ATOM 0 HA LYS A 35 -3.004 -4.071 -4.808 1.00 1.09 H new ATOM 0 HB2 LYS A 35 -2.182 -4.880 -7.054 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -2.553 -6.526 -6.581 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -4.883 -4.786 -6.281 1.00 1.64 H new ATOM 0 HG3 LYS A 35 -4.238 -4.708 -7.908 1.00 1.64 H new ATOM 0 HD2 LYS A 35 -5.966 -6.421 -7.817 1.00 1.52 H new ATOM 0 HD3 LYS A 35 -4.418 -7.191 -8.100 1.00 1.52 H new ATOM 0 HE2 LYS A 35 -4.246 -7.835 -5.736 1.00 2.67 H new ATOM 0 HE3 LYS A 35 -5.700 -6.938 -5.347 1.00 2.67 H new ATOM 0 HZ1 LYS A 35 -6.181 -9.258 -5.514 1.00 3.72 H new ATOM 0 HZ2 LYS A 35 -6.952 -8.447 -6.792 1.00 3.72 H new ATOM 0 HZ3 LYS A 35 -5.537 -9.339 -7.083 1.00 3.72 H new ATOM 575 N GLU A 36 -3.135 -7.114 -3.612 1.00 0.89 N ATOM 576 CA GLU A 36 -3.865 -8.050 -2.752 1.00 0.81 C ATOM 577 C GLU A 36 -3.836 -7.632 -1.267 1.00 0.76 C ATOM 578 O GLU A 36 -4.884 -7.593 -0.621 1.00 0.81 O ATOM 579 CB GLU A 36 -3.274 -9.456 -2.985 1.00 0.90 C ATOM 580 CG GLU A 36 -4.165 -10.599 -2.508 1.00 1.00 C ATOM 581 CD GLU A 36 -5.325 -10.920 -3.454 1.00 1.51 C ATOM 582 OE1 GLU A 36 -5.933 -9.988 -4.025 1.00 2.59 O ATOM 583 OE2 GLU A 36 -5.687 -12.114 -3.542 1.00 2.10 O ATOM 0 H GLU A 36 -2.211 -7.460 -3.871 1.00 0.89 H new ATOM 0 HA GLU A 36 -4.923 -8.048 -3.016 1.00 0.81 H new ATOM 0 HB2 GLU A 36 -3.079 -9.583 -4.050 1.00 0.90 H new ATOM 0 HB3 GLU A 36 -2.313 -9.523 -2.475 1.00 0.90 H new ATOM 0 HG2 GLU A 36 -3.555 -11.493 -2.381 1.00 1.00 H new ATOM 0 HG3 GLU A 36 -4.568 -10.347 -1.527 1.00 1.00 H new ATOM 590 N LEU A 37 -2.664 -7.228 -0.758 1.00 0.79 N ATOM 591 CA LEU A 37 -2.439 -6.631 0.568 1.00 0.83 C ATOM 592 C LEU A 37 -3.408 -5.466 0.818 1.00 0.86 C ATOM 593 O LEU A 37 -4.062 -5.404 1.863 1.00 0.88 O ATOM 594 CB LEU A 37 -0.946 -6.208 0.624 1.00 0.92 C ATOM 595 CG LEU A 37 -0.497 -5.239 1.741 1.00 1.05 C ATOM 596 CD1 LEU A 37 -0.715 -5.793 3.152 1.00 1.15 C ATOM 597 CD2 LEU A 37 0.999 -4.919 1.580 1.00 1.50 C ATOM 0 H LEU A 37 -1.798 -7.313 -1.290 1.00 0.79 H new ATOM 0 HA LEU A 37 -2.641 -7.343 1.368 1.00 0.83 H new ATOM 0 HB2 LEU A 37 -0.347 -7.115 0.711 1.00 0.92 H new ATOM 0 HB3 LEU A 37 -0.695 -5.751 -0.333 1.00 0.92 H new ATOM 0 HG LEU A 37 -1.114 -4.347 1.634 1.00 1.05 H new ATOM 0 HD11 LEU A 37 -0.378 -5.061 3.886 1.00 1.15 H new ATOM 0 HD12 LEU A 37 -1.775 -5.997 3.303 1.00 1.15 H new ATOM 0 HD13 LEU A 37 -0.147 -6.716 3.272 1.00 1.15 H new ATOM 0 HD21 LEU A 37 1.312 -4.236 2.369 1.00 1.50 H new ATOM 0 HD22 LEU A 37 1.577 -5.840 1.647 1.00 1.50 H new ATOM 0 HD23 LEU A 37 1.169 -4.454 0.609 1.00 1.50 H new ATOM 609 N ILE A 38 -3.549 -4.600 -0.186 1.00 0.90 N ATOM 610 CA ILE A 38 -4.410 -3.405 -0.186 1.00 1.00 C ATOM 611 C ILE A 38 -5.908 -3.733 -0.154 1.00 1.02 C ATOM 612 O ILE A 38 -6.686 -2.935 0.346 1.00 1.25 O ATOM 613 CB ILE A 38 -4.010 -2.521 -1.389 1.00 1.03 C ATOM 614 CG1 ILE A 38 -2.590 -1.969 -1.136 1.00 1.15 C ATOM 615 CG2 ILE A 38 -4.991 -1.359 -1.659 1.00 1.24 C ATOM 616 CD1 ILE A 38 -1.980 -1.350 -2.390 1.00 1.23 C ATOM 0 H ILE A 38 -3.044 -4.713 -1.065 1.00 0.90 H new ATOM 0 HA ILE A 38 -4.247 -2.852 0.739 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.040 -3.146 -2.281 1.00 1.03 H new ATOM 0 HG12 ILE A 38 -2.629 -1.220 -0.345 1.00 1.15 H new ATOM 0 HG13 ILE A 38 -1.947 -2.774 -0.781 1.00 1.15 H new ATOM 0 HG21 ILE A 38 -4.645 -0.783 -2.517 1.00 1.24 H new ATOM 0 HG22 ILE A 38 -5.983 -1.761 -1.868 1.00 1.24 H new ATOM 0 HG23 ILE A 38 -5.039 -0.712 -0.783 1.00 1.24 H new ATOM 0 HD11 ILE A 38 -0.982 -0.976 -2.162 1.00 1.23 H new ATOM 0 HD12 ILE A 38 -1.915 -2.105 -3.174 1.00 1.23 H new ATOM 0 HD13 ILE A 38 -2.607 -0.526 -2.731 1.00 1.23 H new ATOM 628 N LYS A 39 -6.350 -4.891 -0.644 1.00 0.91 N ATOM 629 CA LYS A 39 -7.745 -5.297 -0.608 1.00 0.97 C ATOM 630 C LYS A 39 -8.083 -6.207 0.593 1.00 1.00 C ATOM 631 O LYS A 39 -9.227 -6.206 1.043 1.00 1.19 O ATOM 632 CB LYS A 39 -8.017 -5.975 -1.966 1.00 0.95 C ATOM 633 CG LYS A 39 -9.330 -5.517 -2.605 1.00 1.67 C ATOM 634 CD LYS A 39 -10.566 -5.936 -1.802 1.00 3.03 C ATOM 635 CE LYS A 39 -11.127 -4.808 -0.918 1.00 3.15 C ATOM 636 NZ LYS A 39 -12.418 -5.184 -0.297 1.00 4.30 N ATOM 0 H LYS A 39 -5.737 -5.579 -1.082 1.00 0.91 H new ATOM 0 HA LYS A 39 -8.395 -4.434 -0.461 1.00 0.97 H new ATOM 0 HB2 LYS A 39 -7.193 -5.760 -2.646 1.00 0.95 H new ATOM 0 HB3 LYS A 39 -8.043 -7.056 -1.829 1.00 0.95 H new ATOM 0 HG2 LYS A 39 -9.320 -4.432 -2.705 1.00 1.67 H new ATOM 0 HG3 LYS A 39 -9.401 -5.929 -3.612 1.00 1.67 H new ATOM 0 HD2 LYS A 39 -11.343 -6.269 -2.491 1.00 3.03 H new ATOM 0 HD3 LYS A 39 -10.310 -6.789 -1.173 1.00 3.03 H new ATOM 0 HE2 LYS A 39 -10.406 -4.565 -0.138 1.00 3.15 H new ATOM 0 HE3 LYS A 39 -11.261 -3.908 -1.519 1.00 3.15 H new ATOM 0 HZ1 LYS A 39 -12.763 -4.398 0.290 1.00 4.30 H new ATOM 0 HZ2 LYS A 39 -13.114 -5.391 -1.041 1.00 4.30 H new ATOM 0 HZ3 LYS A 39 -12.285 -6.027 0.297 1.00 4.30 H new ATOM 650 N LYS A 40 -7.127 -7.000 1.086 1.00 0.99 N ATOM 651 CA LYS A 40 -7.360 -8.045 2.094 1.00 1.17 C ATOM 652 C LYS A 40 -7.028 -7.623 3.521 1.00 1.22 C ATOM 653 O LYS A 40 -7.780 -7.966 4.427 1.00 1.44 O ATOM 654 CB LYS A 40 -6.536 -9.282 1.766 1.00 1.45 C ATOM 655 CG LYS A 40 -7.118 -10.021 0.561 1.00 1.85 C ATOM 656 CD LYS A 40 -6.400 -11.361 0.489 1.00 1.50 C ATOM 657 CE LYS A 40 -6.872 -12.118 -0.755 1.00 2.06 C ATOM 658 NZ LYS A 40 -5.955 -13.215 -1.146 1.00 2.84 N ATOM 0 H LYS A 40 -6.152 -6.935 0.793 1.00 0.99 H new ATOM 0 HA LYS A 40 -8.430 -8.249 2.053 1.00 1.17 H new ATOM 0 HB2 LYS A 40 -5.506 -8.993 1.558 1.00 1.45 H new ATOM 0 HB3 LYS A 40 -6.512 -9.947 2.629 1.00 1.45 H new ATOM 0 HG2 LYS A 40 -8.193 -10.162 0.674 1.00 1.85 H new ATOM 0 HG3 LYS A 40 -6.966 -9.450 -0.355 1.00 1.85 H new ATOM 0 HD2 LYS A 40 -5.322 -11.208 0.449 1.00 1.50 H new ATOM 0 HD3 LYS A 40 -6.606 -11.946 1.385 1.00 1.50 H new ATOM 0 HE2 LYS A 40 -7.864 -12.530 -0.569 1.00 2.06 H new ATOM 0 HE3 LYS A 40 -6.968 -11.418 -1.585 1.00 2.06 H new ATOM 0 HZ1 LYS A 40 -5.572 -13.026 -2.094 1.00 2.84 H new ATOM 0 HZ2 LYS A 40 -5.173 -13.274 -0.462 1.00 2.84 H new ATOM 0 HZ3 LYS A 40 -6.475 -14.115 -1.156 1.00 2.84 H new ATOM 672 N GLU A 41 -5.894 -6.950 3.721 1.00 1.19 N ATOM 673 CA GLU A 41 -5.619 -6.290 5.000 1.00 1.31 C ATOM 674 C GLU A 41 -6.339 -4.939 5.014 1.00 1.42 C ATOM 675 O GLU A 41 -7.163 -4.714 5.898 1.00 2.07 O ATOM 676 CB GLU A 41 -4.106 -6.269 5.327 1.00 1.41 C ATOM 677 CG GLU A 41 -3.369 -4.922 5.386 1.00 1.97 C ATOM 678 CD GLU A 41 -3.763 -4.068 6.589 1.00 3.42 C ATOM 679 OE1 GLU A 41 -3.210 -4.284 7.687 1.00 4.02 O ATOM 680 OE2 GLU A 41 -4.556 -3.124 6.420 1.00 4.74 O ATOM 0 H GLU A 41 -5.158 -6.847 3.023 1.00 1.19 H new ATOM 0 HA GLU A 41 -6.027 -6.860 5.835 1.00 1.31 H new ATOM 0 HB2 GLU A 41 -3.972 -6.758 6.292 1.00 1.41 H new ATOM 0 HB3 GLU A 41 -3.601 -6.886 4.584 1.00 1.41 H new ATOM 0 HG2 GLU A 41 -2.295 -5.105 5.416 1.00 1.97 H new ATOM 0 HG3 GLU A 41 -3.572 -4.365 4.472 1.00 1.97 H new ATOM 687 N LEU A 42 -6.121 -4.086 3.999 1.00 1.12 N ATOM 688 CA LEU A 42 -6.627 -2.709 4.019 1.00 1.11 C ATOM 689 C LEU A 42 -8.084 -2.603 3.540 1.00 1.08 C ATOM 690 O LEU A 42 -8.465 -1.932 2.576 1.00 1.91 O ATOM 691 CB LEU A 42 -5.622 -1.738 3.377 1.00 1.27 C ATOM 692 CG LEU A 42 -5.565 -0.458 4.224 1.00 1.33 C ATOM 693 CD1 LEU A 42 -4.455 0.461 3.711 1.00 1.96 C ATOM 694 CD2 LEU A 42 -6.898 0.294 4.247 1.00 1.68 C ATOM 0 H LEU A 42 -5.598 -4.328 3.157 1.00 1.12 H new ATOM 0 HA LEU A 42 -6.698 -2.377 5.055 1.00 1.11 H new ATOM 0 HB2 LEU A 42 -4.635 -2.198 3.320 1.00 1.27 H new ATOM 0 HB3 LEU A 42 -5.923 -1.503 2.356 1.00 1.27 H new ATOM 0 HG LEU A 42 -5.351 -0.762 5.249 1.00 1.33 H new ATOM 0 HD11 LEU A 42 -4.422 1.366 4.318 1.00 1.96 H new ATOM 0 HD12 LEU A 42 -3.497 -0.054 3.776 1.00 1.96 H new ATOM 0 HD13 LEU A 42 -4.654 0.727 2.673 1.00 1.96 H new ATOM 0 HD21 LEU A 42 -6.800 1.190 4.860 1.00 1.68 H new ATOM 0 HD22 LEU A 42 -7.173 0.578 3.231 1.00 1.68 H new ATOM 0 HD23 LEU A 42 -7.672 -0.349 4.666 1.00 1.68 H new ATOM 706 N CYS A 43 -8.922 -3.333 4.254 1.00 1.76 N ATOM 707 CA CYS A 43 -10.249 -3.751 3.831 1.00 2.10 C ATOM 708 C CYS A 43 -11.341 -2.773 4.290 1.00 2.83 C ATOM 709 O CYS A 43 -12.282 -3.139 4.985 1.00 4.11 O ATOM 710 CB CYS A 43 -10.428 -5.191 4.308 1.00 3.19 C ATOM 711 SG CYS A 43 -11.943 -5.875 3.570 1.00 3.69 S ATOM 0 H CYS A 43 -8.686 -3.667 5.188 1.00 1.76 H new ATOM 0 HA CYS A 43 -10.351 -3.729 2.746 1.00 2.10 H new ATOM 0 HB2 CYS A 43 -9.565 -5.792 4.022 1.00 3.19 H new ATOM 0 HB3 CYS A 43 -10.492 -5.222 5.396 1.00 3.19 H new ATOM 0 HG CYS A 43 -12.930 -5.050 3.761 1.00 3.69 H new ATOM 774 N LYS A 48 -13.714 3.865 -2.453 1.00 1.99 N ATOM 775 CA LYS A 48 -12.713 4.765 -3.068 1.00 1.86 C ATOM 776 C LYS A 48 -13.151 5.583 -4.310 1.00 2.15 C ATOM 777 O LYS A 48 -12.349 6.361 -4.812 1.00 3.51 O ATOM 778 CB LYS A 48 -11.464 3.942 -3.439 1.00 2.66 C ATOM 779 CG LYS A 48 -11.796 2.845 -4.464 1.00 4.67 C ATOM 780 CD LYS A 48 -11.997 1.490 -3.778 1.00 6.38 C ATOM 781 CE LYS A 48 -10.727 0.660 -3.913 1.00 7.60 C ATOM 782 NZ LYS A 48 -10.613 0.127 -5.296 1.00 9.30 N ATOM 0 HA LYS A 48 -12.531 5.518 -2.301 1.00 1.86 H new ATOM 0 HB2 LYS A 48 -10.699 4.603 -3.847 1.00 2.66 H new ATOM 0 HB3 LYS A 48 -11.046 3.488 -2.541 1.00 2.66 H new ATOM 0 HG2 LYS A 48 -12.699 3.116 -5.012 1.00 4.67 H new ATOM 0 HG3 LYS A 48 -10.991 2.770 -5.195 1.00 4.67 H new ATOM 0 HD2 LYS A 48 -12.239 1.636 -2.725 1.00 6.38 H new ATOM 0 HD3 LYS A 48 -12.838 0.963 -4.229 1.00 6.38 H new ATOM 0 HE2 LYS A 48 -9.856 1.272 -3.677 1.00 7.60 H new ATOM 0 HE3 LYS A 48 -10.742 -0.162 -3.198 1.00 7.60 H new ATOM 0 HZ1 LYS A 48 -9.632 -0.169 -5.474 1.00 9.30 H new ATOM 0 HZ2 LYS A 48 -11.246 -0.690 -5.406 1.00 9.30 H new ATOM 0 HZ3 LYS A 48 -10.881 0.867 -5.976 1.00 9.30 H new ATOM 796 N GLU A 49 -14.334 5.306 -4.873 1.00 2.47 N ATOM 797 CA GLU A 49 -14.695 5.596 -6.262 1.00 3.10 C ATOM 798 C GLU A 49 -13.790 4.810 -7.241 1.00 2.49 C ATOM 799 O GLU A 49 -13.806 3.584 -7.201 1.00 3.19 O ATOM 800 CB GLU A 49 -14.792 7.109 -6.519 1.00 4.14 C ATOM 801 CG GLU A 49 -15.656 7.383 -7.756 1.00 4.62 C ATOM 802 CD GLU A 49 -14.980 8.356 -8.715 1.00 5.40 C ATOM 803 OE1 GLU A 49 -13.876 7.992 -9.185 1.00 5.70 O ATOM 804 OE2 GLU A 49 -15.567 9.424 -8.980 1.00 6.25 O ATOM 0 H GLU A 49 -15.090 4.859 -4.355 1.00 2.47 H new ATOM 0 HA GLU A 49 -15.703 5.231 -6.458 1.00 3.10 H new ATOM 0 HB2 GLU A 49 -15.222 7.606 -5.649 1.00 4.14 H new ATOM 0 HB3 GLU A 49 -13.795 7.525 -6.664 1.00 4.14 H new ATOM 0 HG2 GLU A 49 -15.858 6.445 -8.273 1.00 4.62 H new ATOM 0 HG3 GLU A 49 -16.618 7.789 -7.444 1.00 4.62 H new ATOM 811 N SER A 50 -13.028 5.466 -8.121 1.00 2.09 N ATOM 812 CA SER A 50 -12.241 4.843 -9.194 1.00 1.84 C ATOM 813 C SER A 50 -10.823 5.462 -9.286 1.00 1.64 C ATOM 814 O SER A 50 -10.270 5.938 -8.297 1.00 2.30 O ATOM 815 CB SER A 50 -13.067 5.051 -10.479 1.00 2.24 C ATOM 816 OG SER A 50 -12.570 4.334 -11.598 1.00 3.04 O ATOM 0 H SER A 50 -12.938 6.482 -8.107 1.00 2.09 H new ATOM 0 HA SER A 50 -12.068 3.782 -9.014 1.00 1.84 H new ATOM 0 HB2 SER A 50 -14.097 4.747 -10.292 1.00 2.24 H new ATOM 0 HB3 SER A 50 -13.087 6.114 -10.719 1.00 2.24 H new ATOM 0 HG SER A 50 -12.219 4.965 -12.261 1.00 3.04 H new ATOM 822 N SER A 51 -10.188 5.433 -10.467 1.00 2.02 N ATOM 823 CA SER A 51 -8.926 6.123 -10.824 1.00 2.35 C ATOM 824 C SER A 51 -7.694 5.447 -10.204 1.00 2.22 C ATOM 825 O SER A 51 -6.809 4.974 -10.918 1.00 2.74 O ATOM 826 CB SER A 51 -8.998 7.614 -10.447 1.00 2.86 C ATOM 827 OG SER A 51 -7.958 8.356 -11.056 1.00 3.52 O ATOM 0 H SER A 51 -10.559 4.896 -11.251 1.00 2.02 H new ATOM 0 HA SER A 51 -8.809 6.047 -11.905 1.00 2.35 H new ATOM 0 HB2 SER A 51 -9.962 8.021 -10.751 1.00 2.86 H new ATOM 0 HB3 SER A 51 -8.935 7.720 -9.364 1.00 2.86 H new ATOM 0 HG SER A 51 -8.034 9.298 -10.798 1.00 3.52 H new ATOM 833 N ILE A 52 -7.683 5.266 -8.879 1.00 1.96 N ATOM 834 CA ILE A 52 -6.716 4.406 -8.178 1.00 2.04 C ATOM 835 C ILE A 52 -6.845 2.933 -8.578 1.00 1.42 C ATOM 836 O ILE A 52 -5.964 2.139 -8.271 1.00 1.33 O ATOM 837 CB ILE A 52 -6.766 4.620 -6.646 1.00 2.64 C ATOM 838 CG1 ILE A 52 -8.055 4.130 -5.947 1.00 2.82 C ATOM 839 CG2 ILE A 52 -6.552 6.102 -6.297 1.00 3.62 C ATOM 840 CD1 ILE A 52 -8.097 2.614 -5.726 1.00 2.64 C ATOM 0 H ILE A 52 -8.352 5.716 -8.254 1.00 1.96 H new ATOM 0 HA ILE A 52 -5.722 4.713 -8.502 1.00 2.04 H new ATOM 0 HB ILE A 52 -5.956 3.998 -6.266 1.00 2.64 H new ATOM 0 HG12 ILE A 52 -8.149 4.632 -4.984 1.00 2.82 H new ATOM 0 HG13 ILE A 52 -8.917 4.425 -6.545 1.00 2.82 H new ATOM 0 HG21 ILE A 52 -6.591 6.230 -5.215 1.00 3.62 H new ATOM 0 HG22 ILE A 52 -5.579 6.426 -6.666 1.00 3.62 H new ATOM 0 HG23 ILE A 52 -7.334 6.702 -6.762 1.00 3.62 H new ATOM 0 HD11 ILE A 52 -9.030 2.344 -5.231 1.00 2.64 H new ATOM 0 HD12 ILE A 52 -8.036 2.104 -6.688 1.00 2.64 H new ATOM 0 HD13 ILE A 52 -7.255 2.314 -5.102 1.00 2.64 H new ATOM 852 N ASP A 53 -7.921 2.567 -9.268 1.00 1.17 N ATOM 853 CA ASP A 53 -8.144 1.242 -9.835 1.00 1.02 C ATOM 854 C ASP A 53 -7.538 1.074 -11.240 1.00 0.98 C ATOM 855 O ASP A 53 -7.318 -0.069 -11.644 1.00 1.16 O ATOM 856 CB ASP A 53 -9.636 0.912 -9.750 1.00 1.51 C ATOM 857 CG ASP A 53 -10.016 0.531 -8.316 1.00 3.38 C ATOM 858 OD1 ASP A 53 -9.493 -0.461 -7.745 1.00 4.42 O ATOM 859 OD2 ASP A 53 -10.827 1.274 -7.719 1.00 4.69 O ATOM 0 H ASP A 53 -8.691 3.210 -9.454 1.00 1.17 H new ATOM 0 HA ASP A 53 -7.603 0.504 -9.243 1.00 1.02 H new ATOM 0 HB2 ASP A 53 -10.224 1.771 -10.073 1.00 1.51 H new ATOM 0 HB3 ASP A 53 -9.873 0.091 -10.426 1.00 1.51 H new ATOM 864 N ASP A 54 -7.133 2.158 -11.935 1.00 1.12 N ATOM 865 CA ASP A 54 -6.036 2.007 -12.901 1.00 1.32 C ATOM 866 C ASP A 54 -4.715 1.886 -12.161 1.00 1.09 C ATOM 867 O ASP A 54 -3.894 1.106 -12.610 1.00 1.10 O ATOM 868 CB ASP A 54 -5.894 3.115 -13.956 1.00 1.94 C ATOM 869 CG ASP A 54 -4.779 2.712 -14.959 1.00 2.36 C ATOM 870 OD1 ASP A 54 -5.037 1.904 -15.882 1.00 3.56 O ATOM 871 OD2 ASP A 54 -3.598 3.088 -14.762 1.00 2.51 O ATOM 0 H ASP A 54 -7.526 3.096 -11.851 1.00 1.12 H new ATOM 0 HA ASP A 54 -6.297 1.106 -13.456 1.00 1.32 H new ATOM 0 HB2 ASP A 54 -6.839 3.260 -14.480 1.00 1.94 H new ATOM 0 HB3 ASP A 54 -5.646 4.062 -13.477 1.00 1.94 H new ATOM 876 N LEU A 55 -4.477 2.580 -11.038 1.00 1.06 N ATOM 877 CA LEU A 55 -3.212 2.400 -10.305 1.00 1.05 C ATOM 878 C LEU A 55 -3.040 0.936 -9.867 1.00 0.90 C ATOM 879 O LEU A 55 -1.998 0.342 -10.142 1.00 0.95 O ATOM 880 CB LEU A 55 -3.032 3.409 -9.148 1.00 1.25 C ATOM 881 CG LEU A 55 -3.143 4.882 -9.566 1.00 1.57 C ATOM 882 CD1 LEU A 55 -2.975 5.770 -8.328 1.00 1.89 C ATOM 883 CD2 LEU A 55 -2.119 5.286 -10.635 1.00 1.80 C ATOM 0 H LEU A 55 -5.123 3.253 -10.625 1.00 1.06 H new ATOM 0 HA LEU A 55 -2.400 2.628 -10.995 1.00 1.05 H new ATOM 0 HB2 LEU A 55 -3.781 3.204 -8.384 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -2.056 3.247 -8.690 1.00 1.25 H new ATOM 0 HG LEU A 55 -4.129 5.018 -10.011 1.00 1.57 H new ATOM 0 HD11 LEU A 55 -3.053 6.818 -8.618 1.00 1.89 H new ATOM 0 HD12 LEU A 55 -3.755 5.535 -7.603 1.00 1.89 H new ATOM 0 HD13 LEU A 55 -1.998 5.589 -7.880 1.00 1.89 H new ATOM 0 HD21 LEU A 55 -2.251 6.338 -10.886 1.00 1.80 H new ATOM 0 HD22 LEU A 55 -1.111 5.128 -10.251 1.00 1.80 H new ATOM 0 HD23 LEU A 55 -2.267 4.679 -11.528 1.00 1.80 H new ATOM 895 N MET A 56 -4.084 0.301 -9.327 1.00 0.84 N ATOM 896 CA MET A 56 -4.145 -1.143 -9.044 1.00 0.92 C ATOM 897 C MET A 56 -3.926 -1.994 -10.300 1.00 0.93 C ATOM 898 O MET A 56 -3.091 -2.899 -10.286 1.00 1.09 O ATOM 899 CB MET A 56 -5.503 -1.499 -8.425 1.00 1.06 C ATOM 900 CG MET A 56 -5.699 -0.900 -7.029 1.00 1.31 C ATOM 901 SD MET A 56 -4.762 -1.736 -5.723 1.00 1.95 S ATOM 902 CE MET A 56 -6.165 -2.543 -4.940 1.00 1.78 C ATOM 0 H MET A 56 -4.940 0.790 -9.065 1.00 0.84 H new ATOM 0 HA MET A 56 -3.339 -1.365 -8.345 1.00 0.92 H new ATOM 0 HB2 MET A 56 -6.299 -1.146 -9.081 1.00 1.06 H new ATOM 0 HB3 MET A 56 -5.596 -2.583 -8.366 1.00 1.06 H new ATOM 0 HG2 MET A 56 -5.409 0.150 -7.053 1.00 1.31 H new ATOM 0 HG3 MET A 56 -6.759 -0.933 -6.778 1.00 1.31 H new ATOM 0 HE1 MET A 56 -5.819 -3.129 -4.089 1.00 1.78 H new ATOM 0 HE2 MET A 56 -6.874 -1.789 -4.597 1.00 1.78 H new ATOM 0 HE3 MET A 56 -6.654 -3.201 -5.659 1.00 1.78 H new ATOM 912 N LYS A 57 -4.604 -1.707 -11.417 1.00 0.95 N ATOM 913 CA LYS A 57 -4.345 -2.427 -12.672 1.00 1.18 C ATOM 914 C LYS A 57 -2.996 -2.045 -13.321 1.00 1.15 C ATOM 915 O LYS A 57 -2.514 -2.724 -14.214 1.00 1.30 O ATOM 916 CB LYS A 57 -5.562 -2.298 -13.611 1.00 1.60 C ATOM 917 CG LYS A 57 -5.498 -3.154 -14.896 1.00 1.89 C ATOM 918 CD LYS A 57 -5.011 -4.595 -14.671 1.00 3.26 C ATOM 919 CE LYS A 57 -4.957 -5.388 -15.984 1.00 4.42 C ATOM 920 NZ LYS A 57 -4.165 -6.635 -15.838 1.00 6.20 N ATOM 0 H LYS A 57 -5.328 -0.991 -11.480 1.00 0.95 H new ATOM 0 HA LYS A 57 -4.226 -3.487 -12.446 1.00 1.18 H new ATOM 0 HB2 LYS A 57 -6.459 -2.572 -13.056 1.00 1.60 H new ATOM 0 HB3 LYS A 57 -5.671 -1.252 -13.896 1.00 1.60 H new ATOM 0 HG2 LYS A 57 -6.489 -3.184 -15.349 1.00 1.89 H new ATOM 0 HG3 LYS A 57 -4.836 -2.666 -15.611 1.00 1.89 H new ATOM 0 HD2 LYS A 57 -4.021 -4.577 -14.216 1.00 3.26 H new ATOM 0 HD3 LYS A 57 -5.676 -5.098 -13.969 1.00 3.26 H new ATOM 0 HE2 LYS A 57 -5.970 -5.635 -16.302 1.00 4.42 H new ATOM 0 HE3 LYS A 57 -4.519 -4.768 -16.766 1.00 4.42 H new ATOM 0 HZ1 LYS A 57 -4.288 -7.226 -16.685 1.00 6.20 H new ATOM 0 HZ2 LYS A 57 -3.159 -6.396 -15.726 1.00 6.20 H new ATOM 0 HZ3 LYS A 57 -4.492 -7.158 -15.001 1.00 6.20 H new ATOM 934 N SER A 58 -2.359 -0.974 -12.885 1.00 1.07 N ATOM 935 CA SER A 58 -1.006 -0.508 -13.221 1.00 1.16 C ATOM 936 C SER A 58 0.060 -1.272 -12.431 1.00 1.12 C ATOM 937 O SER A 58 1.141 -1.521 -12.961 1.00 1.29 O ATOM 938 CB SER A 58 -0.865 1.018 -13.169 1.00 1.31 C ATOM 939 OG SER A 58 -1.380 1.564 -14.381 1.00 2.38 O ATOM 0 H SER A 58 -2.810 -0.342 -12.224 1.00 1.07 H new ATOM 0 HA SER A 58 -0.828 -0.749 -14.269 1.00 1.16 H new ATOM 0 HB2 SER A 58 -1.408 1.419 -12.313 1.00 1.31 H new ATOM 0 HB3 SER A 58 0.181 1.297 -13.043 1.00 1.31 H new ATOM 0 HG SER A 58 -2.190 2.081 -14.189 1.00 2.38 H new ATOM 945 N LEU A 59 -0.277 -1.791 -11.241 1.00 1.04 N ATOM 946 CA LEU A 59 0.476 -2.870 -10.600 1.00 1.09 C ATOM 947 C LEU A 59 0.335 -4.163 -11.408 1.00 1.12 C ATOM 948 O LEU A 59 1.336 -4.722 -11.854 1.00 1.18 O ATOM 949 CB LEU A 59 0.010 -3.074 -9.142 1.00 1.11 C ATOM 950 CG LEU A 59 0.060 -1.831 -8.234 1.00 1.18 C ATOM 951 CD1 LEU A 59 -0.457 -2.222 -6.847 1.00 1.30 C ATOM 952 CD2 LEU A 59 1.476 -1.239 -8.163 1.00 1.34 C ATOM 0 H LEU A 59 -1.080 -1.472 -10.699 1.00 1.04 H new ATOM 0 HA LEU A 59 1.530 -2.592 -10.575 1.00 1.09 H new ATOM 0 HB2 LEU A 59 -1.014 -3.446 -9.158 1.00 1.11 H new ATOM 0 HB3 LEU A 59 0.625 -3.853 -8.691 1.00 1.11 H new ATOM 0 HG LEU A 59 -0.576 -1.050 -8.652 1.00 1.18 H new ATOM 0 HD11 LEU A 59 -0.429 -1.353 -6.190 1.00 1.30 H new ATOM 0 HD12 LEU A 59 -1.483 -2.582 -6.929 1.00 1.30 H new ATOM 0 HD13 LEU A 59 0.172 -3.010 -6.433 1.00 1.30 H new ATOM 0 HD21 LEU A 59 1.472 -0.364 -7.513 1.00 1.34 H new ATOM 0 HD22 LEU A 59 2.163 -1.985 -7.763 1.00 1.34 H new ATOM 0 HD23 LEU A 59 1.799 -0.948 -9.162 1.00 1.34 H new ATOM 964 N ASP A 60 -0.905 -4.601 -11.649 1.00 1.16 N ATOM 965 CA ASP A 60 -1.254 -5.785 -12.457 1.00 1.25 C ATOM 966 C ASP A 60 -1.063 -5.579 -13.991 1.00 1.38 C ATOM 967 O ASP A 60 -1.546 -6.371 -14.796 1.00 1.87 O ATOM 968 CB ASP A 60 -2.654 -6.277 -12.036 1.00 1.62 C ATOM 969 CG ASP A 60 -3.088 -7.620 -12.654 1.00 1.86 C ATOM 970 OD1 ASP A 60 -2.423 -8.653 -12.403 1.00 2.73 O ATOM 971 OD2 ASP A 60 -4.129 -7.608 -13.352 1.00 2.57 O ATOM 0 H ASP A 60 -1.727 -4.127 -11.275 1.00 1.16 H new ATOM 0 HA ASP A 60 -0.543 -6.583 -12.246 1.00 1.25 H new ATOM 0 HB2 ASP A 60 -2.678 -6.370 -10.950 1.00 1.62 H new ATOM 0 HB3 ASP A 60 -3.386 -5.516 -12.307 1.00 1.62 H new ATOM 976 N LYS A 61 -0.396 -4.503 -14.433 1.00 1.28 N ATOM 977 CA LYS A 61 -0.057 -4.248 -15.857 1.00 1.50 C ATOM 978 C LYS A 61 1.183 -5.083 -16.230 1.00 1.50 C ATOM 979 O LYS A 61 1.204 -5.747 -17.258 1.00 1.82 O ATOM 980 CB LYS A 61 0.188 -2.726 -16.069 1.00 1.62 C ATOM 981 CG LYS A 61 -0.458 -1.971 -17.263 1.00 2.22 C ATOM 982 CD LYS A 61 -1.996 -1.787 -17.343 1.00 2.98 C ATOM 983 CE LYS A 61 -2.711 -0.768 -16.418 1.00 3.83 C ATOM 984 NZ LYS A 61 -2.639 0.675 -16.784 1.00 4.62 N ATOM 0 H LYS A 61 -0.067 -3.768 -13.807 1.00 1.28 H new ATOM 0 HA LYS A 61 -0.880 -4.545 -16.507 1.00 1.50 H new ATOM 0 HB2 LYS A 61 -0.135 -2.221 -15.159 1.00 1.62 H new ATOM 0 HB3 LYS A 61 1.266 -2.584 -16.147 1.00 1.62 H new ATOM 0 HG2 LYS A 61 -0.014 -0.976 -17.292 1.00 2.22 H new ATOM 0 HG3 LYS A 61 -0.148 -2.485 -18.173 1.00 2.22 H new ATOM 0 HD2 LYS A 61 -2.235 -1.513 -18.371 1.00 2.98 H new ATOM 0 HD3 LYS A 61 -2.448 -2.762 -17.159 1.00 2.98 H new ATOM 0 HE2 LYS A 61 -3.763 -1.047 -16.363 1.00 3.83 H new ATOM 0 HE3 LYS A 61 -2.299 -0.880 -15.415 1.00 3.83 H new ATOM 0 HZ1 LYS A 61 -2.022 1.173 -16.111 1.00 4.62 H new ATOM 0 HZ2 LYS A 61 -2.252 0.771 -17.745 1.00 4.62 H new ATOM 0 HZ3 LYS A 61 -3.592 1.089 -16.752 1.00 4.62 H new ATOM 998 N ASN A 62 2.180 -5.059 -15.334 1.00 1.39 N ATOM 999 CA ASN A 62 3.424 -5.833 -15.394 1.00 1.52 C ATOM 1000 C ASN A 62 3.420 -6.970 -14.367 1.00 1.48 C ATOM 1001 O ASN A 62 3.698 -8.108 -14.721 1.00 2.23 O ATOM 1002 CB ASN A 62 4.596 -4.873 -15.156 1.00 1.73 C ATOM 1003 CG ASN A 62 5.029 -4.230 -16.461 1.00 1.93 C ATOM 1004 OD1 ASN A 62 4.443 -3.251 -16.900 1.00 2.51 O ATOM 1005 ND2 ASN A 62 6.029 -4.790 -17.117 1.00 2.39 N ATOM 0 H ASN A 62 2.136 -4.467 -14.505 1.00 1.39 H new ATOM 0 HA ASN A 62 3.522 -6.299 -16.374 1.00 1.52 H new ATOM 0 HB2 ASN A 62 4.303 -4.102 -14.443 1.00 1.73 H new ATOM 0 HB3 ASN A 62 5.433 -5.414 -14.715 1.00 1.73 H new ATOM 0 HD21 ASN A 62 6.330 -4.406 -18.013 1.00 2.39 H new ATOM 0 HD22 ASN A 62 6.501 -5.606 -16.728 1.00 2.39 H new ATOM 1012 N SER A 63 3.056 -6.673 -13.112 1.00 1.41 N ATOM 1013 CA SER A 63 2.436 -7.586 -12.132 1.00 1.40 C ATOM 1014 C SER A 63 3.354 -8.610 -11.477 1.00 1.29 C ATOM 1015 O SER A 63 3.438 -8.684 -10.250 1.00 1.48 O ATOM 1016 CB SER A 63 1.291 -8.361 -12.770 1.00 1.57 C ATOM 1017 OG SER A 63 0.622 -9.046 -11.741 1.00 2.12 O ATOM 0 H SER A 63 3.192 -5.738 -12.728 1.00 1.41 H new ATOM 0 HA SER A 63 2.109 -6.907 -11.344 1.00 1.40 H new ATOM 0 HB2 SER A 63 0.610 -7.684 -13.286 1.00 1.57 H new ATOM 0 HB3 SER A 63 1.670 -9.061 -13.514 1.00 1.57 H new ATOM 0 HG SER A 63 1.059 -9.909 -11.584 1.00 2.12 H new ATOM 1023 N ASP A 64 3.967 -9.439 -12.311 1.00 1.26 N ATOM 1024 CA ASP A 64 4.493 -10.770 -12.029 1.00 1.44 C ATOM 1025 C ASP A 64 6.022 -10.655 -12.089 1.00 1.41 C ATOM 1026 O ASP A 64 6.757 -11.447 -12.671 1.00 1.98 O ATOM 1027 CB ASP A 64 3.782 -11.775 -12.957 1.00 2.03 C ATOM 1028 CG ASP A 64 2.252 -11.798 -12.710 1.00 2.88 C ATOM 1029 OD1 ASP A 64 1.784 -11.367 -11.626 1.00 3.58 O ATOM 1030 OD2 ASP A 64 1.471 -12.173 -13.610 1.00 3.71 O ATOM 0 H ASP A 64 4.123 -9.176 -13.284 1.00 1.26 H new ATOM 0 HA ASP A 64 4.285 -11.169 -11.036 1.00 1.44 H new ATOM 0 HB2 ASP A 64 3.979 -11.513 -13.997 1.00 2.03 H new ATOM 0 HB3 ASP A 64 4.192 -12.772 -12.796 1.00 2.03 H new ATOM 1035 N GLN A 65 6.464 -9.516 -11.561 1.00 1.12 N ATOM 1036 CA GLN A 65 7.812 -9.027 -11.373 1.00 1.11 C ATOM 1037 C GLN A 65 7.843 -8.345 -10.007 1.00 1.00 C ATOM 1038 O GLN A 65 6.803 -7.920 -9.487 1.00 1.03 O ATOM 1039 CB GLN A 65 8.213 -7.971 -12.425 1.00 1.34 C ATOM 1040 CG GLN A 65 7.115 -7.333 -13.300 1.00 1.67 C ATOM 1041 CD GLN A 65 6.950 -7.979 -14.674 1.00 2.97 C ATOM 1042 OE1 GLN A 65 6.849 -7.286 -15.675 1.00 3.51 O ATOM 1043 NE2 GLN A 65 6.945 -9.288 -14.810 1.00 4.37 N ATOM 0 H GLN A 65 5.791 -8.833 -11.213 1.00 1.12 H new ATOM 0 HA GLN A 65 8.502 -9.866 -11.461 1.00 1.11 H new ATOM 0 HB2 GLN A 65 8.727 -7.165 -11.902 1.00 1.34 H new ATOM 0 HB3 GLN A 65 8.940 -8.432 -13.094 1.00 1.34 H new ATOM 0 HG2 GLN A 65 6.165 -7.390 -12.769 1.00 1.67 H new ATOM 0 HG3 GLN A 65 7.343 -6.275 -13.434 1.00 1.67 H new ATOM 0 HE21 GLN A 65 7.028 -9.886 -13.988 1.00 4.37 H new ATOM 0 HE22 GLN A 65 6.858 -9.704 -15.737 1.00 4.37 H new ATOM 1052 N GLU A 66 9.052 -8.170 -9.482 1.00 1.03 N ATOM 1053 CA GLU A 66 9.242 -7.624 -8.153 1.00 1.03 C ATOM 1054 C GLU A 66 9.095 -6.098 -8.090 1.00 1.13 C ATOM 1055 O GLU A 66 9.463 -5.366 -9.007 1.00 1.21 O ATOM 1056 CB GLU A 66 10.582 -8.074 -7.557 1.00 1.08 C ATOM 1057 CG GLU A 66 10.643 -9.595 -7.362 1.00 1.11 C ATOM 1058 CD GLU A 66 12.012 -10.016 -6.838 1.00 1.44 C ATOM 1059 OE1 GLU A 66 12.291 -9.681 -5.660 1.00 2.04 O ATOM 1060 OE2 GLU A 66 12.766 -10.625 -7.624 1.00 2.61 O ATOM 0 H GLU A 66 9.919 -8.403 -9.966 1.00 1.03 H new ATOM 0 HA GLU A 66 8.434 -8.029 -7.544 1.00 1.03 H new ATOM 0 HB2 GLU A 66 11.394 -7.760 -8.213 1.00 1.08 H new ATOM 0 HB3 GLU A 66 10.737 -7.579 -6.598 1.00 1.08 H new ATOM 0 HG2 GLU A 66 9.868 -9.908 -6.663 1.00 1.11 H new ATOM 0 HG3 GLU A 66 10.440 -10.097 -8.308 1.00 1.11 H new ATOM 1067 N ILE A 67 8.582 -5.657 -6.945 1.00 1.14 N ATOM 1068 CA ILE A 67 8.618 -4.304 -6.373 1.00 1.10 C ATOM 1069 C ILE A 67 9.148 -4.370 -4.939 1.00 1.03 C ATOM 1070 O ILE A 67 9.069 -5.416 -4.291 1.00 1.08 O ATOM 1071 CB ILE A 67 7.211 -3.665 -6.292 1.00 1.14 C ATOM 1072 CG1 ILE A 67 6.132 -4.714 -5.983 1.00 1.25 C ATOM 1073 CG2 ILE A 67 6.888 -2.856 -7.541 1.00 2.00 C ATOM 1074 CD1 ILE A 67 4.831 -4.113 -5.490 1.00 1.50 C ATOM 0 H ILE A 67 8.080 -6.297 -6.330 1.00 1.14 H new ATOM 0 HA ILE A 67 9.255 -3.706 -7.024 1.00 1.10 H new ATOM 0 HB ILE A 67 7.217 -2.964 -5.458 1.00 1.14 H new ATOM 0 HG12 ILE A 67 5.936 -5.298 -6.882 1.00 1.25 H new ATOM 0 HG13 ILE A 67 6.512 -5.405 -5.231 1.00 1.25 H new ATOM 0 HG21 ILE A 67 5.892 -2.423 -7.447 1.00 2.00 H new ATOM 0 HG22 ILE A 67 7.621 -2.058 -7.657 1.00 2.00 H new ATOM 0 HG23 ILE A 67 6.919 -3.507 -8.414 1.00 2.00 H new ATOM 0 HD11 ILE A 67 4.114 -4.910 -5.291 1.00 1.50 H new ATOM 0 HD12 ILE A 67 5.014 -3.552 -4.573 1.00 1.50 H new ATOM 0 HD13 ILE A 67 4.428 -3.444 -6.250 1.00 1.50 H new ATOM 1086 N ASP A 68 9.602 -3.223 -4.436 1.00 1.02 N ATOM 1087 CA ASP A 68 10.055 -3.010 -3.063 1.00 1.00 C ATOM 1088 C ASP A 68 9.017 -2.308 -2.157 1.00 0.97 C ATOM 1089 O ASP A 68 7.932 -1.883 -2.569 1.00 1.24 O ATOM 1090 CB ASP A 68 11.392 -2.233 -3.101 1.00 1.08 C ATOM 1091 CG ASP A 68 11.265 -0.709 -3.282 1.00 1.41 C ATOM 1092 OD1 ASP A 68 10.260 -0.236 -3.866 1.00 2.62 O ATOM 1093 OD2 ASP A 68 12.138 0.008 -2.744 1.00 1.78 O ATOM 0 H ASP A 68 9.667 -2.377 -5.002 1.00 1.02 H new ATOM 0 HA ASP A 68 10.196 -3.989 -2.606 1.00 1.00 H new ATOM 0 HB2 ASP A 68 11.933 -2.428 -2.175 1.00 1.08 H new ATOM 0 HB3 ASP A 68 12.000 -2.629 -3.914 1.00 1.08 H new ATOM 1098 N PHE A 69 9.420 -2.133 -0.897 1.00 0.80 N ATOM 1099 CA PHE A 69 8.737 -1.339 0.125 1.00 0.74 C ATOM 1100 C PHE A 69 8.456 0.120 -0.290 1.00 0.71 C ATOM 1101 O PHE A 69 7.560 0.759 0.258 1.00 0.70 O ATOM 1102 CB PHE A 69 9.590 -1.410 1.407 1.00 0.81 C ATOM 1103 CG PHE A 69 11.087 -1.237 1.176 1.00 2.65 C ATOM 1104 CD1 PHE A 69 11.629 0.040 0.939 1.00 4.13 C ATOM 1105 CD2 PHE A 69 11.924 -2.368 1.108 1.00 4.24 C ATOM 1106 CE1 PHE A 69 12.988 0.184 0.622 1.00 6.40 C ATOM 1107 CE2 PHE A 69 13.285 -2.223 0.783 1.00 6.49 C ATOM 1108 CZ PHE A 69 13.817 -0.946 0.537 1.00 7.43 C ATOM 0 H PHE A 69 10.275 -2.563 -0.544 1.00 0.80 H new ATOM 0 HA PHE A 69 7.745 -1.762 0.286 1.00 0.74 H new ATOM 0 HB2 PHE A 69 9.250 -0.639 2.099 1.00 0.81 H new ATOM 0 HB3 PHE A 69 9.418 -2.371 1.891 1.00 0.81 H new ATOM 0 HD1 PHE A 69 10.996 0.913 1.001 1.00 4.13 H new ATOM 0 HD2 PHE A 69 11.520 -3.350 1.306 1.00 4.24 H new ATOM 0 HE1 PHE A 69 13.398 1.167 0.443 1.00 6.40 H new ATOM 0 HE2 PHE A 69 13.921 -3.094 0.723 1.00 6.49 H new ATOM 0 HZ PHE A 69 14.861 -0.834 0.283 1.00 7.43 H new ATOM 1118 N LYS A 70 9.203 0.695 -1.232 1.00 0.74 N ATOM 1119 CA LYS A 70 9.081 2.101 -1.621 1.00 0.72 C ATOM 1120 C LYS A 70 7.972 2.310 -2.656 1.00 0.72 C ATOM 1121 O LYS A 70 7.160 3.225 -2.476 1.00 0.72 O ATOM 1122 CB LYS A 70 10.447 2.526 -2.148 1.00 0.75 C ATOM 1123 CG LYS A 70 10.752 4.016 -2.065 1.00 1.28 C ATOM 1124 CD LYS A 70 12.247 4.199 -2.370 1.00 1.73 C ATOM 1125 CE LYS A 70 12.616 5.655 -2.129 1.00 3.37 C ATOM 1126 NZ LYS A 70 14.077 5.908 -2.239 1.00 4.61 N ATOM 0 H LYS A 70 9.920 0.191 -1.754 1.00 0.74 H new ATOM 0 HA LYS A 70 8.793 2.716 -0.768 1.00 0.72 H new ATOM 0 HB2 LYS A 70 11.214 1.985 -1.594 1.00 0.75 H new ATOM 0 HB3 LYS A 70 10.527 2.215 -3.190 1.00 0.75 H new ATOM 0 HG2 LYS A 70 10.144 4.572 -2.779 1.00 1.28 H new ATOM 0 HG3 LYS A 70 10.513 4.402 -1.074 1.00 1.28 H new ATOM 0 HD2 LYS A 70 12.846 3.547 -1.734 1.00 1.73 H new ATOM 0 HD3 LYS A 70 12.460 3.921 -3.402 1.00 1.73 H new ATOM 0 HE2 LYS A 70 12.089 6.282 -2.848 1.00 3.37 H new ATOM 0 HE3 LYS A 70 12.275 5.952 -1.137 1.00 3.37 H new ATOM 0 HZ1 LYS A 70 14.440 6.249 -1.326 1.00 4.61 H new ATOM 0 HZ2 LYS A 70 14.564 5.026 -2.497 1.00 4.61 H new ATOM 0 HZ3 LYS A 70 14.251 6.626 -2.971 1.00 4.61 H new ATOM 1140 N GLU A 71 7.883 1.429 -3.659 1.00 0.74 N ATOM 1141 CA GLU A 71 6.739 1.334 -4.578 1.00 0.72 C ATOM 1142 C GLU A 71 5.458 1.047 -3.781 1.00 0.69 C ATOM 1143 O GLU A 71 4.411 1.648 -4.009 1.00 0.73 O ATOM 1144 CB GLU A 71 7.013 0.231 -5.617 1.00 0.78 C ATOM 1145 CG GLU A 71 7.936 0.704 -6.757 1.00 1.13 C ATOM 1146 CD GLU A 71 7.189 0.808 -8.091 1.00 1.76 C ATOM 1147 OE1 GLU A 71 6.120 1.453 -8.141 1.00 2.52 O ATOM 1148 OE2 GLU A 71 7.599 0.145 -9.072 1.00 2.51 O ATOM 0 H GLU A 71 8.616 0.749 -3.860 1.00 0.74 H new ATOM 0 HA GLU A 71 6.602 2.278 -5.106 1.00 0.72 H new ATOM 0 HB2 GLU A 71 7.467 -0.626 -5.120 1.00 0.78 H new ATOM 0 HB3 GLU A 71 6.067 -0.109 -6.038 1.00 0.78 H new ATOM 0 HG2 GLU A 71 8.360 1.675 -6.502 1.00 1.13 H new ATOM 0 HG3 GLU A 71 8.770 0.010 -6.861 1.00 1.13 H new ATOM 1155 N TYR A 72 5.578 0.229 -2.734 1.00 0.66 N ATOM 1156 CA TYR A 72 4.485 -0.013 -1.774 1.00 0.62 C ATOM 1157 C TYR A 72 4.078 1.275 -1.030 1.00 0.63 C ATOM 1158 O TYR A 72 2.905 1.640 -0.999 1.00 0.65 O ATOM 1159 CB TYR A 72 4.933 -1.149 -0.840 1.00 0.62 C ATOM 1160 CG TYR A 72 4.336 -1.202 0.570 1.00 0.56 C ATOM 1161 CD1 TYR A 72 2.982 -1.526 0.794 1.00 1.85 C ATOM 1162 CD2 TYR A 72 5.159 -0.958 1.690 1.00 2.17 C ATOM 1163 CE1 TYR A 72 2.468 -1.638 2.102 1.00 1.71 C ATOM 1164 CE2 TYR A 72 4.655 -1.053 2.999 1.00 2.49 C ATOM 1165 CZ TYR A 72 3.309 -1.410 3.210 1.00 1.11 C ATOM 1166 OH TYR A 72 2.852 -1.561 4.482 1.00 1.51 O ATOM 0 H TYR A 72 6.432 -0.287 -2.523 1.00 0.66 H new ATOM 0 HA TYR A 72 3.577 -0.321 -2.293 1.00 0.62 H new ATOM 0 HB2 TYR A 72 4.708 -2.095 -1.333 1.00 0.62 H new ATOM 0 HB3 TYR A 72 6.017 -1.091 -0.741 1.00 0.62 H new ATOM 0 HD1 TYR A 72 2.328 -1.691 -0.050 1.00 1.85 H new ATOM 0 HD2 TYR A 72 6.195 -0.693 1.539 1.00 2.17 H new ATOM 0 HE1 TYR A 72 1.431 -1.898 2.255 1.00 1.71 H new ATOM 0 HE2 TYR A 72 5.299 -0.852 3.842 1.00 2.49 H new ATOM 0 HH TYR A 72 3.513 -2.055 5.011 1.00 1.51 H new ATOM 1176 N SER A 73 5.039 2.009 -0.476 1.00 0.67 N ATOM 1177 CA SER A 73 4.809 3.237 0.297 1.00 0.67 C ATOM 1178 C SER A 73 4.250 4.401 -0.536 1.00 0.66 C ATOM 1179 O SER A 73 3.259 5.011 -0.115 1.00 0.69 O ATOM 1180 CB SER A 73 6.114 3.625 0.987 1.00 0.75 C ATOM 1181 OG SER A 73 5.924 4.727 1.844 1.00 1.82 O ATOM 0 H SER A 73 6.026 1.764 -0.551 1.00 0.67 H new ATOM 0 HA SER A 73 4.034 3.027 1.034 1.00 0.67 H new ATOM 0 HB2 SER A 73 6.494 2.777 1.557 1.00 0.75 H new ATOM 0 HB3 SER A 73 6.867 3.868 0.238 1.00 0.75 H new ATOM 0 HG SER A 73 6.647 4.756 2.505 1.00 1.82 H new ATOM 1187 N VAL A 74 4.785 4.681 -1.739 1.00 0.66 N ATOM 1188 CA VAL A 74 4.202 5.719 -2.610 1.00 0.66 C ATOM 1189 C VAL A 74 2.776 5.396 -3.033 1.00 0.65 C ATOM 1190 O VAL A 74 1.990 6.328 -3.200 1.00 0.66 O ATOM 1191 CB VAL A 74 4.995 6.034 -3.894 1.00 0.77 C ATOM 1192 CG1 VAL A 74 6.365 6.626 -3.571 1.00 0.88 C ATOM 1193 CG2 VAL A 74 5.139 4.867 -4.876 1.00 0.80 C ATOM 0 H VAL A 74 5.605 4.213 -2.125 1.00 0.66 H new ATOM 0 HA VAL A 74 4.236 6.598 -1.967 1.00 0.66 H new ATOM 0 HB VAL A 74 4.384 6.775 -4.411 1.00 0.77 H new ATOM 0 HG11 VAL A 74 6.898 6.837 -4.498 1.00 0.88 H new ATOM 0 HG12 VAL A 74 6.238 7.550 -3.007 1.00 0.88 H new ATOM 0 HG13 VAL A 74 6.938 5.914 -2.977 1.00 0.88 H new ATOM 0 HG21 VAL A 74 5.712 5.191 -5.745 1.00 0.80 H new ATOM 0 HG22 VAL A 74 5.657 4.042 -4.387 1.00 0.80 H new ATOM 0 HG23 VAL A 74 4.151 4.537 -5.196 1.00 0.80 H new ATOM 1203 N PHE A 75 2.440 4.111 -3.187 1.00 0.64 N ATOM 1204 CA PHE A 75 1.111 3.664 -3.582 1.00 0.61 C ATOM 1205 C PHE A 75 0.129 3.712 -2.405 1.00 0.51 C ATOM 1206 O PHE A 75 -0.959 4.269 -2.550 1.00 0.53 O ATOM 1207 CB PHE A 75 1.244 2.264 -4.188 1.00 0.68 C ATOM 1208 CG PHE A 75 0.020 1.822 -4.947 1.00 0.69 C ATOM 1209 CD1 PHE A 75 -1.120 1.379 -4.255 1.00 1.80 C ATOM 1210 CD2 PHE A 75 0.011 1.865 -6.352 1.00 1.99 C ATOM 1211 CE1 PHE A 75 -2.268 0.986 -4.965 1.00 1.86 C ATOM 1212 CE2 PHE A 75 -1.106 1.407 -7.056 1.00 2.00 C ATOM 1213 CZ PHE A 75 -2.255 0.985 -6.367 1.00 0.87 C ATOM 0 H PHE A 75 3.097 3.345 -3.037 1.00 0.64 H new ATOM 0 HA PHE A 75 0.693 4.336 -4.332 1.00 0.61 H new ATOM 0 HB2 PHE A 75 2.104 2.246 -4.858 1.00 0.68 H new ATOM 0 HB3 PHE A 75 1.446 1.549 -3.391 1.00 0.68 H new ATOM 0 HD1 PHE A 75 -1.114 1.340 -3.176 1.00 1.80 H new ATOM 0 HD2 PHE A 75 0.866 2.251 -6.887 1.00 1.99 H new ATOM 0 HE1 PHE A 75 -3.158 0.686 -4.432 1.00 1.86 H new ATOM 0 HE2 PHE A 75 -1.086 1.377 -8.135 1.00 2.00 H new ATOM 0 HZ PHE A 75 -3.127 0.660 -6.916 1.00 0.87 H new ATOM 1223 N LEU A 76 0.522 3.238 -1.216 1.00 0.48 N ATOM 1224 CA LEU A 76 -0.290 3.345 0.004 1.00 0.50 C ATOM 1225 C LEU A 76 -0.582 4.807 0.365 1.00 0.55 C ATOM 1226 O LEU A 76 -1.717 5.143 0.706 1.00 0.65 O ATOM 1227 CB LEU A 76 0.426 2.613 1.161 1.00 0.57 C ATOM 1228 CG LEU A 76 -0.046 1.169 1.411 1.00 0.67 C ATOM 1229 CD1 LEU A 76 -1.463 1.171 1.997 1.00 2.68 C ATOM 1230 CD2 LEU A 76 -0.018 0.278 0.162 1.00 1.82 C ATOM 0 H LEU A 76 1.416 2.768 -1.072 1.00 0.48 H new ATOM 0 HA LEU A 76 -1.255 2.870 -0.176 1.00 0.50 H new ATOM 0 HB2 LEU A 76 1.496 2.598 0.954 1.00 0.57 H new ATOM 0 HB3 LEU A 76 0.286 3.188 2.076 1.00 0.57 H new ATOM 0 HG LEU A 76 0.666 0.743 2.117 1.00 0.67 H new ATOM 0 HD11 LEU A 76 -1.787 0.145 2.170 1.00 2.68 H new ATOM 0 HD12 LEU A 76 -1.466 1.716 2.941 1.00 2.68 H new ATOM 0 HD13 LEU A 76 -2.145 1.654 1.297 1.00 2.68 H new ATOM 0 HD21 LEU A 76 -0.365 -0.722 0.421 1.00 1.82 H new ATOM 0 HD22 LEU A 76 -0.670 0.702 -0.602 1.00 1.82 H new ATOM 0 HD23 LEU A 76 1.001 0.221 -0.222 1.00 1.82 H new ATOM 1242 N THR A 77 0.412 5.682 0.191 1.00 0.56 N ATOM 1243 CA THR A 77 0.254 7.138 0.329 1.00 0.64 C ATOM 1244 C THR A 77 -0.708 7.691 -0.719 1.00 0.77 C ATOM 1245 O THR A 77 -1.553 8.521 -0.404 1.00 0.77 O ATOM 1246 CB THR A 77 1.627 7.804 0.244 1.00 0.68 C ATOM 1247 OG1 THR A 77 2.419 7.280 1.277 1.00 0.64 O ATOM 1248 CG2 THR A 77 1.540 9.318 0.440 1.00 0.81 C ATOM 0 H THR A 77 1.361 5.399 -0.053 1.00 0.56 H new ATOM 0 HA THR A 77 -0.183 7.361 1.302 1.00 0.64 H new ATOM 0 HB THR A 77 2.046 7.610 -0.743 1.00 0.68 H new ATOM 0 HG1 THR A 77 2.826 6.439 0.982 1.00 0.64 H new ATOM 0 HG21 THR A 77 2.538 9.752 0.372 1.00 0.81 H new ATOM 0 HG22 THR A 77 0.904 9.749 -0.333 1.00 0.81 H new ATOM 0 HG23 THR A 77 1.116 9.534 1.421 1.00 0.81 H new ATOM 1256 N MET A 78 -0.620 7.210 -1.961 1.00 0.89 N ATOM 1257 CA MET A 78 -1.490 7.647 -3.064 1.00 1.01 C ATOM 1258 C MET A 78 -2.958 7.257 -2.865 1.00 1.04 C ATOM 1259 O MET A 78 -3.838 8.060 -3.160 1.00 1.14 O ATOM 1260 CB MET A 78 -0.938 7.075 -4.370 1.00 1.04 C ATOM 1261 CG MET A 78 -1.445 7.791 -5.619 1.00 1.38 C ATOM 1262 SD MET A 78 -0.139 8.123 -6.842 1.00 1.35 S ATOM 1263 CE MET A 78 0.620 6.478 -7.016 1.00 1.15 C ATOM 0 H MET A 78 0.060 6.501 -2.235 1.00 0.89 H new ATOM 0 HA MET A 78 -1.483 8.737 -3.094 1.00 1.01 H new ATOM 0 HB2 MET A 78 0.150 7.129 -4.348 1.00 1.04 H new ATOM 0 HB3 MET A 78 -1.203 6.020 -4.435 1.00 1.04 H new ATOM 0 HG2 MET A 78 -2.223 7.186 -6.085 1.00 1.38 H new ATOM 0 HG3 MET A 78 -1.906 8.734 -5.326 1.00 1.38 H new ATOM 0 HE1 MET A 78 0.828 6.283 -8.068 1.00 1.15 H new ATOM 0 HE2 MET A 78 1.551 6.445 -6.450 1.00 1.15 H new ATOM 0 HE3 MET A 78 -0.064 5.720 -6.634 1.00 1.15 H new ATOM 1273 N LEU A 79 -3.216 6.057 -2.337 1.00 0.99 N ATOM 1274 CA LEU A 79 -4.563 5.590 -1.993 1.00 1.07 C ATOM 1275 C LEU A 79 -5.144 6.428 -0.851 1.00 1.09 C ATOM 1276 O LEU A 79 -6.232 6.972 -0.998 1.00 1.11 O ATOM 1277 CB LEU A 79 -4.514 4.083 -1.652 1.00 1.10 C ATOM 1278 CG LEU A 79 -5.804 3.251 -1.896 1.00 1.29 C ATOM 1279 CD1 LEU A 79 -7.107 4.038 -2.116 1.00 1.98 C ATOM 1280 CD2 LEU A 79 -5.586 2.305 -3.085 1.00 1.76 C ATOM 0 H LEU A 79 -2.486 5.374 -2.134 1.00 0.99 H new ATOM 0 HA LEU A 79 -5.229 5.717 -2.847 1.00 1.07 H new ATOM 0 HB2 LEU A 79 -3.708 3.633 -2.232 1.00 1.10 H new ATOM 0 HB3 LEU A 79 -4.244 3.984 -0.601 1.00 1.10 H new ATOM 0 HG LEU A 79 -5.958 2.719 -0.957 1.00 1.29 H new ATOM 0 HD11 LEU A 79 -7.930 3.342 -2.274 1.00 1.98 H new ATOM 0 HD12 LEU A 79 -7.314 4.651 -1.239 1.00 1.98 H new ATOM 0 HD13 LEU A 79 -7.001 4.680 -2.991 1.00 1.98 H new ATOM 0 HD21 LEU A 79 -6.491 1.721 -3.256 1.00 1.76 H new ATOM 0 HD22 LEU A 79 -5.356 2.888 -3.977 1.00 1.76 H new ATOM 0 HD23 LEU A 79 -4.756 1.633 -2.868 1.00 1.76 H new ATOM 1292 N CYS A 80 -4.382 6.621 0.232 1.00 1.08 N ATOM 1293 CA CYS A 80 -4.771 7.513 1.328 1.00 1.08 C ATOM 1294 C CYS A 80 -5.125 8.922 0.823 1.00 1.15 C ATOM 1295 O CYS A 80 -6.149 9.483 1.201 1.00 1.29 O ATOM 1296 CB CYS A 80 -3.627 7.540 2.351 1.00 1.00 C ATOM 1297 SG CYS A 80 -4.143 8.462 3.828 1.00 1.08 S ATOM 0 H CYS A 80 -3.481 6.164 0.372 1.00 1.08 H new ATOM 0 HA CYS A 80 -5.677 7.136 1.803 1.00 1.08 H new ATOM 0 HB2 CYS A 80 -3.348 6.523 2.625 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -2.745 8.005 1.911 1.00 1.00 H new ATOM 0 HG CYS A 80 -4.940 9.429 3.480 1.00 1.08 H new ATOM 1303 N MET A 81 -4.310 9.488 -0.074 1.00 1.13 N ATOM 1304 CA MET A 81 -4.530 10.835 -0.594 1.00 1.23 C ATOM 1305 C MET A 81 -5.763 10.928 -1.504 1.00 1.41 C ATOM 1306 O MET A 81 -6.346 12.000 -1.618 1.00 1.72 O ATOM 1307 CB MET A 81 -3.256 11.339 -1.290 1.00 1.24 C ATOM 1308 CG MET A 81 -3.210 12.870 -1.287 1.00 2.11 C ATOM 1309 SD MET A 81 -3.080 13.582 0.376 1.00 3.96 S ATOM 1310 CE MET A 81 -1.300 13.889 0.434 1.00 3.94 C ATOM 0 H MET A 81 -3.485 9.025 -0.456 1.00 1.13 H new ATOM 0 HA MET A 81 -4.746 11.489 0.251 1.00 1.23 H new ATOM 0 HB2 MET A 81 -2.377 10.942 -0.783 1.00 1.24 H new ATOM 0 HB3 MET A 81 -3.225 10.971 -2.315 1.00 1.24 H new ATOM 0 HG2 MET A 81 -2.361 13.202 -1.884 1.00 2.11 H new ATOM 0 HG3 MET A 81 -4.109 13.254 -1.770 1.00 2.11 H new ATOM 0 HE1 MET A 81 -1.038 14.330 1.396 1.00 3.94 H new ATOM 0 HE2 MET A 81 -0.764 12.948 0.309 1.00 3.94 H new ATOM 0 HE3 MET A 81 -1.023 14.574 -0.367 1.00 3.94 H new ATOM 1320 N ALA A 82 -6.183 9.812 -2.110 1.00 1.30 N ATOM 1321 CA ALA A 82 -7.362 9.739 -2.971 1.00 1.43 C ATOM 1322 C ALA A 82 -8.706 9.883 -2.230 1.00 1.49 C ATOM 1323 O ALA A 82 -9.740 9.943 -2.883 1.00 1.64 O ATOM 1324 CB ALA A 82 -7.292 8.445 -3.792 1.00 1.46 C ATOM 0 H ALA A 82 -5.701 8.918 -2.012 1.00 1.30 H new ATOM 0 HA ALA A 82 -7.338 10.605 -3.632 1.00 1.43 H new ATOM 0 HB1 ALA A 82 -8.166 8.377 -4.440 1.00 1.46 H new ATOM 0 HB2 ALA A 82 -6.388 8.449 -4.402 1.00 1.46 H new ATOM 0 HB3 ALA A 82 -7.272 7.588 -3.119 1.00 1.46 H new ATOM 1330 N TYR A 83 -8.694 9.933 -0.896 1.00 1.44 N ATOM 1331 CA TYR A 83 -9.877 10.183 -0.059 1.00 1.55 C ATOM 1332 C TYR A 83 -9.600 11.171 1.109 1.00 1.40 C ATOM 1333 O TYR A 83 -10.382 11.275 2.054 1.00 1.93 O ATOM 1334 CB TYR A 83 -10.477 8.819 0.360 1.00 1.76 C ATOM 1335 CG TYR A 83 -9.552 7.819 1.046 1.00 1.67 C ATOM 1336 CD1 TYR A 83 -8.974 8.143 2.289 1.00 2.61 C ATOM 1337 CD2 TYR A 83 -9.309 6.539 0.484 1.00 2.36 C ATOM 1338 CE1 TYR A 83 -8.144 7.231 2.958 1.00 2.69 C ATOM 1339 CE2 TYR A 83 -8.516 5.601 1.177 1.00 2.42 C ATOM 1340 CZ TYR A 83 -7.920 5.951 2.412 1.00 1.86 C ATOM 1341 OH TYR A 83 -7.114 5.072 3.069 1.00 2.09 O ATOM 0 H TYR A 83 -7.842 9.798 -0.352 1.00 1.44 H new ATOM 0 HA TYR A 83 -10.635 10.713 -0.636 1.00 1.55 H new ATOM 0 HB2 TYR A 83 -11.316 9.013 1.028 1.00 1.76 H new ATOM 0 HB3 TYR A 83 -10.883 8.343 -0.532 1.00 1.76 H new ATOM 0 HD1 TYR A 83 -9.173 9.107 2.733 1.00 2.61 H new ATOM 0 HD2 TYR A 83 -9.732 6.283 -0.476 1.00 2.36 H new ATOM 0 HE1 TYR A 83 -7.677 7.510 3.891 1.00 2.69 H new ATOM 0 HE2 TYR A 83 -8.363 4.614 0.765 1.00 2.42 H new ATOM 0 HH TYR A 83 -7.063 4.234 2.563 1.00 2.09 H new ATOM 1351 N ASN A 84 -8.472 11.896 1.057 1.00 1.07 N ATOM 1352 CA ASN A 84 -8.040 12.870 2.076 1.00 1.14 C ATOM 1353 C ASN A 84 -8.663 14.257 1.938 1.00 1.17 C ATOM 1354 O ASN A 84 -8.451 15.085 2.817 1.00 1.64 O ATOM 1355 CB ASN A 84 -6.499 12.972 2.096 1.00 1.45 C ATOM 1356 CG ASN A 84 -5.790 11.974 3.009 1.00 2.03 C ATOM 1357 OD1 ASN A 84 -6.381 11.252 3.800 1.00 3.22 O ATOM 1358 ND2 ASN A 84 -4.466 11.934 2.974 1.00 2.36 N ATOM 0 H ASN A 84 -7.814 11.820 0.281 1.00 1.07 H new ATOM 0 HA ASN A 84 -8.407 12.482 3.026 1.00 1.14 H new ATOM 0 HB2 ASN A 84 -6.129 12.836 1.080 1.00 1.45 H new ATOM 0 HB3 ASN A 84 -6.222 13.980 2.403 1.00 1.45 H new ATOM 0 HD21 ASN A 84 -3.958 11.309 3.600 1.00 2.36 H new ATOM 0 HD22 ASN A 84 -3.955 12.528 2.321 1.00 2.36 H new ATOM 1365 N ASP A 85 -9.445 14.527 0.893 1.00 1.45 N ATOM 1366 CA ASP A 85 -9.976 15.854 0.594 1.00 1.73 C ATOM 1367 C ASP A 85 -10.955 16.406 1.640 1.00 2.01 C ATOM 1368 O ASP A 85 -11.116 17.618 1.767 1.00 2.24 O ATOM 1369 CB ASP A 85 -10.614 15.843 -0.804 1.00 2.58 C ATOM 1370 CG ASP A 85 -11.694 14.761 -0.928 1.00 3.06 C ATOM 1371 OD1 ASP A 85 -11.289 13.573 -0.926 1.00 3.71 O ATOM 1372 OD2 ASP A 85 -12.892 15.110 -0.984 1.00 3.72 O ATOM 0 H ASP A 85 -9.731 13.816 0.220 1.00 1.45 H new ATOM 0 HA ASP A 85 -9.128 16.538 0.623 1.00 1.73 H new ATOM 0 HB2 ASP A 85 -11.052 16.819 -1.011 1.00 2.58 H new ATOM 0 HB3 ASP A 85 -9.842 15.674 -1.555 1.00 2.58 H new ATOM 1377 N PHE A 86 -11.511 15.522 2.473 1.00 2.33 N ATOM 1378 CA PHE A 86 -12.300 15.859 3.658 1.00 2.98 C ATOM 1379 C PHE A 86 -11.510 16.649 4.727 1.00 2.91 C ATOM 1380 O PHE A 86 -12.112 17.124 5.691 1.00 3.55 O ATOM 1381 CB PHE A 86 -12.904 14.560 4.219 1.00 3.54 C ATOM 1382 CG PHE A 86 -14.082 14.042 3.407 1.00 4.35 C ATOM 1383 CD1 PHE A 86 -13.878 13.408 2.163 1.00 5.16 C ATOM 1384 CD2 PHE A 86 -15.394 14.237 3.878 1.00 5.28 C ATOM 1385 CE1 PHE A 86 -14.978 12.990 1.396 1.00 6.25 C ATOM 1386 CE2 PHE A 86 -16.494 13.801 3.116 1.00 6.19 C ATOM 1387 CZ PHE A 86 -16.287 13.184 1.870 1.00 6.46 C ATOM 0 H PHE A 86 -11.420 14.516 2.334 1.00 2.33 H new ATOM 0 HA PHE A 86 -13.096 16.541 3.360 1.00 2.98 H new ATOM 0 HB2 PHE A 86 -12.130 13.793 4.253 1.00 3.54 H new ATOM 0 HB3 PHE A 86 -13.227 14.732 5.246 1.00 3.54 H new ATOM 0 HD1 PHE A 86 -12.874 13.244 1.800 1.00 5.16 H new ATOM 0 HD2 PHE A 86 -15.557 14.723 4.828 1.00 5.28 H new ATOM 0 HE1 PHE A 86 -14.817 12.518 0.438 1.00 6.25 H new ATOM 0 HE2 PHE A 86 -17.498 13.941 3.489 1.00 6.19 H new ATOM 0 HZ PHE A 86 -17.131 12.860 1.279 1.00 6.46 H new ATOM 1397 N PHE A 87 -10.191 16.827 4.566 1.00 2.35 N ATOM 1398 CA PHE A 87 -9.366 17.720 5.387 1.00 2.57 C ATOM 1399 C PHE A 87 -9.071 19.093 4.727 1.00 2.38 C ATOM 1400 O PHE A 87 -8.368 19.894 5.341 1.00 2.73 O ATOM 1401 CB PHE A 87 -8.052 16.997 5.752 1.00 2.61 C ATOM 1402 CG PHE A 87 -8.179 15.629 6.396 1.00 2.98 C ATOM 1403 CD1 PHE A 87 -8.957 15.448 7.554 1.00 3.95 C ATOM 1404 CD2 PHE A 87 -7.476 14.538 5.849 1.00 3.00 C ATOM 1405 CE1 PHE A 87 -9.030 14.180 8.161 1.00 4.50 C ATOM 1406 CE2 PHE A 87 -7.546 13.275 6.454 1.00 3.58 C ATOM 1407 CZ PHE A 87 -8.324 13.093 7.611 1.00 4.15 C ATOM 0 H PHE A 87 -9.657 16.342 3.844 1.00 2.35 H new ATOM 0 HA PHE A 87 -9.940 17.951 6.284 1.00 2.57 H new ATOM 0 HB2 PHE A 87 -7.459 16.891 4.843 1.00 2.61 H new ATOM 0 HB3 PHE A 87 -7.487 17.639 6.428 1.00 2.61 H new ATOM 0 HD1 PHE A 87 -9.498 16.281 7.977 1.00 3.95 H new ATOM 0 HD2 PHE A 87 -6.880 14.675 4.959 1.00 3.00 H new ATOM 0 HE1 PHE A 87 -9.628 14.041 9.049 1.00 4.50 H new ATOM 0 HE2 PHE A 87 -7.003 12.443 6.032 1.00 3.58 H new ATOM 0 HZ PHE A 87 -8.380 12.120 8.077 1.00 4.15 H new ATOM 1417 N LEU A 88 -9.503 19.358 3.480 1.00 1.98 N ATOM 1418 CA LEU A 88 -8.970 20.433 2.620 1.00 1.75 C ATOM 1419 C LEU A 88 -9.959 21.615 2.461 1.00 2.35 C ATOM 1420 O LEU A 88 -10.464 22.110 3.465 1.00 2.92 O ATOM 1421 CB LEU A 88 -8.456 19.821 1.291 1.00 1.42 C ATOM 1422 CG LEU A 88 -7.137 19.025 1.340 1.00 1.88 C ATOM 1423 CD1 LEU A 88 -5.945 19.915 1.715 1.00 2.53 C ATOM 1424 CD2 LEU A 88 -7.173 17.839 2.302 1.00 2.88 C ATOM 0 H LEU A 88 -10.246 18.821 3.033 1.00 1.98 H new ATOM 0 HA LEU A 88 -8.111 20.896 3.105 1.00 1.75 H new ATOM 0 HB2 LEU A 88 -9.232 19.163 0.901 1.00 1.42 H new ATOM 0 HB3 LEU A 88 -8.334 20.631 0.572 1.00 1.42 H new ATOM 0 HG LEU A 88 -7.014 18.640 0.328 1.00 1.88 H new ATOM 0 HD11 LEU A 88 -5.036 19.314 1.738 1.00 2.53 H new ATOM 0 HD12 LEU A 88 -5.837 20.709 0.976 1.00 2.53 H new ATOM 0 HD13 LEU A 88 -6.114 20.355 2.698 1.00 2.53 H new ATOM 0 HD21 LEU A 88 -6.211 17.326 2.284 1.00 2.88 H new ATOM 0 HD22 LEU A 88 -7.375 18.196 3.312 1.00 2.88 H new ATOM 0 HD23 LEU A 88 -7.959 17.147 1.998 1.00 2.88 H new ATOM 1517 N GLU B 2 -9.526 0.610 11.756 1.00 2.76 N ATOM 1518 CA GLU B 2 -9.827 -0.771 12.138 1.00 2.29 C ATOM 1519 C GLU B 2 -8.737 -1.734 11.632 1.00 2.03 C ATOM 1520 O GLU B 2 -8.460 -2.733 12.294 1.00 2.63 O ATOM 1521 CB GLU B 2 -11.223 -1.137 11.608 1.00 2.35 C ATOM 1522 CG GLU B 2 -11.803 -2.394 12.265 1.00 3.84 C ATOM 1523 CD GLU B 2 -13.298 -2.491 11.971 1.00 4.90 C ATOM 1524 OE1 GLU B 2 -14.073 -1.938 12.781 1.00 5.52 O ATOM 1525 OE2 GLU B 2 -13.638 -3.068 10.918 1.00 5.86 O ATOM 0 HA GLU B 2 -9.833 -0.864 13.224 1.00 2.29 H new ATOM 0 HB2 GLU B 2 -11.901 -0.300 11.777 1.00 2.35 H new ATOM 0 HB3 GLU B 2 -11.168 -1.290 10.530 1.00 2.35 H new ATOM 0 HG2 GLU B 2 -11.291 -3.280 11.890 1.00 3.84 H new ATOM 0 HG3 GLU B 2 -11.637 -2.362 13.342 1.00 3.84 H new ATOM 1532 N THR B 3 -8.058 -1.397 10.520 1.00 1.45 N ATOM 1533 CA THR B 3 -6.979 -2.220 9.946 1.00 1.38 C ATOM 1534 C THR B 3 -5.615 -1.772 10.492 1.00 1.34 C ATOM 1535 O THR B 3 -5.444 -0.581 10.779 1.00 1.34 O ATOM 1536 CB THR B 3 -7.001 -2.303 8.400 1.00 1.42 C ATOM 1537 OG1 THR B 3 -5.951 -1.569 7.813 1.00 1.81 O ATOM 1538 CG2 THR B 3 -8.312 -1.853 7.744 1.00 1.83 C ATOM 0 H THR B 3 -8.243 -0.543 9.993 1.00 1.45 H new ATOM 0 HA THR B 3 -7.161 -3.244 10.272 1.00 1.38 H new ATOM 0 HB THR B 3 -6.883 -3.370 8.211 1.00 1.42 H new ATOM 0 HG1 THR B 3 -5.621 -2.045 7.023 1.00 1.81 H new ATOM 0 HG21 THR B 3 -8.228 -1.948 6.661 1.00 1.83 H new ATOM 0 HG22 THR B 3 -9.131 -2.478 8.101 1.00 1.83 H new ATOM 0 HG23 THR B 3 -8.510 -0.813 8.003 1.00 1.83 H new ATOM 1546 N PRO B 4 -4.632 -2.679 10.640 1.00 1.41 N ATOM 1547 CA PRO B 4 -3.269 -2.325 11.027 1.00 1.51 C ATOM 1548 C PRO B 4 -2.638 -1.305 10.075 1.00 1.24 C ATOM 1549 O PRO B 4 -2.196 -0.250 10.540 1.00 1.24 O ATOM 1550 CB PRO B 4 -2.482 -3.643 11.055 1.00 1.82 C ATOM 1551 CG PRO B 4 -3.551 -4.718 11.229 1.00 1.72 C ATOM 1552 CD PRO B 4 -4.782 -4.126 10.549 1.00 1.53 C ATOM 0 HA PRO B 4 -3.259 -1.837 12.002 1.00 1.51 H new ATOM 0 HB2 PRO B 4 -1.918 -3.789 10.134 1.00 1.82 H new ATOM 0 HB3 PRO B 4 -1.764 -3.660 11.875 1.00 1.82 H new ATOM 0 HG2 PRO B 4 -3.252 -5.658 10.765 1.00 1.72 H new ATOM 0 HG3 PRO B 4 -3.739 -4.928 12.282 1.00 1.72 H new ATOM 0 HD2 PRO B 4 -4.846 -4.447 9.509 1.00 1.53 H new ATOM 0 HD3 PRO B 4 -5.697 -4.456 11.042 1.00 1.53 H new ATOM 1560 N LEU B 5 -2.603 -1.567 8.762 1.00 1.14 N ATOM 1561 CA LEU B 5 -1.953 -0.655 7.812 1.00 1.01 C ATOM 1562 C LEU B 5 -2.687 0.686 7.722 1.00 0.77 C ATOM 1563 O LEU B 5 -2.036 1.734 7.773 1.00 0.82 O ATOM 1564 CB LEU B 5 -1.817 -1.362 6.455 1.00 1.04 C ATOM 1565 CG LEU B 5 -1.027 -0.623 5.364 1.00 1.11 C ATOM 1566 CD1 LEU B 5 0.327 -0.094 5.838 1.00 1.74 C ATOM 1567 CD2 LEU B 5 -0.826 -1.601 4.197 1.00 1.66 C ATOM 0 H LEU B 5 -3.014 -2.397 8.335 1.00 1.14 H new ATOM 0 HA LEU B 5 -0.952 -0.408 8.167 1.00 1.01 H new ATOM 0 HB2 LEU B 5 -1.342 -2.329 6.622 1.00 1.04 H new ATOM 0 HB3 LEU B 5 -2.819 -1.560 6.074 1.00 1.04 H new ATOM 0 HG LEU B 5 -1.599 0.256 5.068 1.00 1.11 H new ATOM 0 HD11 LEU B 5 0.827 0.416 5.014 1.00 1.74 H new ATOM 0 HD12 LEU B 5 0.177 0.606 6.660 1.00 1.74 H new ATOM 0 HD13 LEU B 5 0.944 -0.926 6.178 1.00 1.74 H new ATOM 0 HD21 LEU B 5 -0.267 -1.108 3.402 1.00 1.66 H new ATOM 0 HD22 LEU B 5 -0.271 -2.473 4.544 1.00 1.66 H new ATOM 0 HD23 LEU B 5 -1.797 -1.917 3.816 1.00 1.66 H new ATOM 1579 N GLU B 6 -4.022 0.683 7.705 1.00 0.70 N ATOM 1580 CA GLU B 6 -4.823 1.907 7.800 1.00 0.68 C ATOM 1581 C GLU B 6 -4.434 2.711 9.050 1.00 0.69 C ATOM 1582 O GLU B 6 -4.249 3.930 8.996 1.00 0.78 O ATOM 1583 CB GLU B 6 -6.317 1.554 7.867 1.00 0.85 C ATOM 1584 CG GLU B 6 -7.216 2.798 7.773 1.00 1.21 C ATOM 1585 CD GLU B 6 -8.346 2.820 8.801 1.00 2.43 C ATOM 1586 OE1 GLU B 6 -8.813 1.756 9.280 1.00 3.93 O ATOM 1587 OE2 GLU B 6 -8.696 3.930 9.260 1.00 3.14 O ATOM 0 H GLU B 6 -4.579 -0.168 7.625 1.00 0.70 H new ATOM 0 HA GLU B 6 -4.630 2.512 6.914 1.00 0.68 H new ATOM 0 HB2 GLU B 6 -6.563 0.869 7.056 1.00 0.85 H new ATOM 0 HB3 GLU B 6 -6.523 1.030 8.800 1.00 0.85 H new ATOM 0 HG2 GLU B 6 -6.602 3.689 7.902 1.00 1.21 H new ATOM 0 HG3 GLU B 6 -7.646 2.850 6.773 1.00 1.21 H new ATOM 1594 N LYS B 7 -4.241 2.044 10.192 1.00 0.70 N ATOM 1595 CA LYS B 7 -3.864 2.719 11.429 1.00 0.79 C ATOM 1596 C LYS B 7 -2.424 3.257 11.349 1.00 0.79 C ATOM 1597 O LYS B 7 -2.094 4.266 11.987 1.00 0.94 O ATOM 1598 CB LYS B 7 -4.100 1.737 12.590 1.00 0.94 C ATOM 1599 CG LYS B 7 -4.103 2.399 13.957 1.00 1.88 C ATOM 1600 CD LYS B 7 -2.683 2.511 14.516 1.00 3.87 C ATOM 1601 CE LYS B 7 -2.494 3.900 15.113 1.00 5.04 C ATOM 1602 NZ LYS B 7 -3.397 4.175 16.260 1.00 6.01 N ATOM 0 H LYS B 7 -4.341 1.033 10.281 1.00 0.70 H new ATOM 0 HA LYS B 7 -4.480 3.602 11.600 1.00 0.79 H new ATOM 0 HB2 LYS B 7 -5.054 1.231 12.439 1.00 0.94 H new ATOM 0 HB3 LYS B 7 -3.326 0.970 12.569 1.00 0.94 H new ATOM 0 HG2 LYS B 7 -4.548 3.391 13.883 1.00 1.88 H new ATOM 0 HG3 LYS B 7 -4.723 1.822 14.643 1.00 1.88 H new ATOM 0 HD2 LYS B 7 -2.516 1.748 15.277 1.00 3.87 H new ATOM 0 HD3 LYS B 7 -1.952 2.338 13.726 1.00 3.87 H new ATOM 0 HE2 LYS B 7 -1.460 4.010 15.439 1.00 5.04 H new ATOM 0 HE3 LYS B 7 -2.665 4.647 14.338 1.00 5.04 H new ATOM 0 HZ1 LYS B 7 -3.139 5.084 16.694 1.00 6.01 H new ATOM 0 HZ2 LYS B 7 -4.381 4.218 15.925 1.00 6.01 H new ATOM 0 HZ3 LYS B 7 -3.304 3.416 16.965 1.00 6.01 H new ATOM 1616 N ALA B 8 -1.555 2.615 10.573 1.00 0.74 N ATOM 1617 CA ALA B 8 -0.192 3.073 10.354 1.00 0.81 C ATOM 1618 C ALA B 8 -0.171 4.374 9.544 1.00 0.71 C ATOM 1619 O ALA B 8 0.366 5.375 10.023 1.00 0.72 O ATOM 1620 CB ALA B 8 0.621 1.955 9.704 1.00 1.00 C ATOM 0 H ALA B 8 -1.782 1.754 10.075 1.00 0.74 H new ATOM 0 HA ALA B 8 0.274 3.309 11.311 1.00 0.81 H new ATOM 0 HB1 ALA B 8 1.643 2.297 9.539 1.00 1.00 H new ATOM 0 HB2 ALA B 8 0.631 1.084 10.359 1.00 1.00 H new ATOM 0 HB3 ALA B 8 0.170 1.685 8.749 1.00 1.00 H new ATOM 1626 N LEU B 9 -0.872 4.419 8.403 1.00 0.69 N ATOM 1627 CA LEU B 9 -1.100 5.667 7.659 1.00 0.70 C ATOM 1628 C LEU B 9 -1.796 6.731 8.533 1.00 0.64 C ATOM 1629 O LEU B 9 -1.410 7.904 8.475 1.00 0.58 O ATOM 1630 CB LEU B 9 -1.920 5.393 6.377 1.00 0.73 C ATOM 1631 CG LEU B 9 -1.166 4.864 5.133 1.00 0.76 C ATOM 1632 CD1 LEU B 9 -0.008 5.777 4.699 1.00 0.95 C ATOM 1633 CD2 LEU B 9 -0.657 3.428 5.299 1.00 0.72 C ATOM 0 H LEU B 9 -1.295 3.597 7.971 1.00 0.69 H new ATOM 0 HA LEU B 9 -0.126 6.063 7.372 1.00 0.70 H new ATOM 0 HB2 LEU B 9 -2.700 4.673 6.626 1.00 0.73 H new ATOM 0 HB3 LEU B 9 -2.420 6.320 6.096 1.00 0.73 H new ATOM 0 HG LEU B 9 -1.917 4.866 4.343 1.00 0.76 H new ATOM 0 HD11 LEU B 9 0.481 5.352 3.822 1.00 0.95 H new ATOM 0 HD12 LEU B 9 -0.396 6.766 4.455 1.00 0.95 H new ATOM 0 HD13 LEU B 9 0.713 5.861 5.512 1.00 0.95 H new ATOM 0 HD21 LEU B 9 -0.138 3.119 4.392 1.00 0.72 H new ATOM 0 HD22 LEU B 9 0.030 3.381 6.144 1.00 0.72 H new ATOM 0 HD23 LEU B 9 -1.500 2.762 5.480 1.00 0.72 H new ATOM 1645 N THR B 10 -2.753 6.320 9.391 1.00 0.69 N ATOM 1646 CA THR B 10 -3.460 7.217 10.330 1.00 0.64 C ATOM 1647 C THR B 10 -2.452 7.968 11.194 1.00 0.57 C ATOM 1648 O THR B 10 -2.588 9.170 11.396 1.00 0.55 O ATOM 1649 CB THR B 10 -4.445 6.468 11.235 1.00 0.82 C ATOM 1650 OG1 THR B 10 -5.428 5.810 10.482 1.00 1.08 O ATOM 1651 CG2 THR B 10 -5.186 7.412 12.181 1.00 1.15 C ATOM 0 H THR B 10 -3.059 5.349 9.452 1.00 0.69 H new ATOM 0 HA THR B 10 -4.036 7.917 9.725 1.00 0.64 H new ATOM 0 HB THR B 10 -3.840 5.759 11.801 1.00 0.82 H new ATOM 0 HG1 THR B 10 -4.999 5.196 9.850 1.00 1.08 H new ATOM 0 HG21 THR B 10 -5.873 6.838 12.803 1.00 1.15 H new ATOM 0 HG22 THR B 10 -4.467 7.929 12.816 1.00 1.15 H new ATOM 0 HG23 THR B 10 -5.748 8.143 11.599 1.00 1.15 H new ATOM 1659 N THR B 11 -1.427 7.266 11.680 1.00 0.60 N ATOM 1660 CA THR B 11 -0.375 7.807 12.552 1.00 0.59 C ATOM 1661 C THR B 11 0.402 8.899 11.831 1.00 0.56 C ATOM 1662 O THR B 11 0.511 9.983 12.386 1.00 0.57 O ATOM 1663 CB THR B 11 0.510 6.675 13.085 1.00 0.67 C ATOM 1664 OG1 THR B 11 -0.314 5.652 13.610 1.00 0.79 O ATOM 1665 CG2 THR B 11 1.420 7.116 14.228 1.00 0.71 C ATOM 0 H THR B 11 -1.299 6.275 11.473 1.00 0.60 H new ATOM 0 HA THR B 11 -0.826 8.279 13.425 1.00 0.59 H new ATOM 0 HB THR B 11 1.122 6.344 12.246 1.00 0.67 H new ATOM 0 HG1 THR B 11 -0.753 5.176 12.875 1.00 0.79 H new ATOM 0 HG21 THR B 11 2.021 6.270 14.562 1.00 0.71 H new ATOM 0 HG22 THR B 11 2.077 7.914 13.883 1.00 0.71 H new ATOM 0 HG23 THR B 11 0.813 7.479 15.057 1.00 0.71 H new ATOM 1673 N MET B 12 0.807 8.680 10.569 1.00 0.60 N ATOM 1674 CA MET B 12 1.455 9.723 9.751 1.00 0.68 C ATOM 1675 C MET B 12 0.567 10.954 9.533 1.00 0.68 C ATOM 1676 O MET B 12 1.034 12.070 9.721 1.00 0.83 O ATOM 1677 CB MET B 12 1.900 9.201 8.379 1.00 0.83 C ATOM 1678 CG MET B 12 3.188 8.388 8.432 1.00 1.10 C ATOM 1679 SD MET B 12 3.933 8.162 6.797 1.00 1.91 S ATOM 1680 CE MET B 12 3.570 6.412 6.555 1.00 1.34 C ATOM 0 H MET B 12 0.697 7.786 10.090 1.00 0.60 H new ATOM 0 HA MET B 12 2.330 10.017 10.331 1.00 0.68 H new ATOM 0 HB2 MET B 12 1.106 8.584 7.958 1.00 0.83 H new ATOM 0 HB3 MET B 12 2.039 10.046 7.704 1.00 0.83 H new ATOM 0 HG2 MET B 12 3.902 8.887 9.087 1.00 1.10 H new ATOM 0 HG3 MET B 12 2.980 7.412 8.871 1.00 1.10 H new ATOM 0 HE1 MET B 12 3.555 6.188 5.488 1.00 1.34 H new ATOM 0 HE2 MET B 12 4.338 5.810 7.041 1.00 1.34 H new ATOM 0 HE3 MET B 12 2.598 6.179 6.989 1.00 1.34 H new ATOM 1690 N VAL B 13 -0.707 10.775 9.150 1.00 0.60 N ATOM 1691 CA VAL B 13 -1.601 11.937 8.938 1.00 0.71 C ATOM 1692 C VAL B 13 -1.929 12.671 10.251 1.00 0.79 C ATOM 1693 O VAL B 13 -2.344 13.824 10.206 1.00 1.15 O ATOM 1694 CB VAL B 13 -2.886 11.619 8.133 1.00 0.72 C ATOM 1695 CG1 VAL B 13 -2.555 11.123 6.716 1.00 0.72 C ATOM 1696 CG2 VAL B 13 -3.810 10.615 8.823 1.00 0.71 C ATOM 0 H VAL B 13 -1.138 9.866 8.983 1.00 0.60 H new ATOM 0 HA VAL B 13 -1.022 12.614 8.310 1.00 0.71 H new ATOM 0 HB VAL B 13 -3.424 12.565 8.073 1.00 0.72 H new ATOM 0 HG11 VAL B 13 -3.480 10.910 6.180 1.00 0.72 H new ATOM 0 HG12 VAL B 13 -1.996 11.892 6.183 1.00 0.72 H new ATOM 0 HG13 VAL B 13 -1.955 10.216 6.779 1.00 0.72 H new ATOM 0 HG21 VAL B 13 -4.688 10.442 8.201 1.00 0.71 H new ATOM 0 HG22 VAL B 13 -3.279 9.675 8.972 1.00 0.71 H new ATOM 0 HG23 VAL B 13 -4.122 11.012 9.789 1.00 0.71 H new ATOM 1706 N THR B 14 -1.718 12.036 11.420 1.00 0.69 N ATOM 1707 CA THR B 14 -1.903 12.645 12.747 1.00 0.76 C ATOM 1708 C THR B 14 -0.734 13.571 13.085 1.00 0.70 C ATOM 1709 O THR B 14 -0.958 14.755 13.327 1.00 0.79 O ATOM 1710 CB THR B 14 -2.071 11.566 13.824 1.00 0.86 C ATOM 1711 OG1 THR B 14 -3.159 10.734 13.494 1.00 1.12 O ATOM 1712 CG2 THR B 14 -2.374 12.167 15.198 1.00 1.14 C ATOM 0 H THR B 14 -1.408 11.065 11.467 1.00 0.69 H new ATOM 0 HA THR B 14 -2.814 13.242 12.722 1.00 0.76 H new ATOM 0 HB THR B 14 -1.132 11.014 13.866 1.00 0.86 H new ATOM 0 HG1 THR B 14 -2.839 9.967 12.975 1.00 1.12 H new ATOM 0 HG21 THR B 14 -2.485 11.366 15.929 1.00 1.14 H new ATOM 0 HG22 THR B 14 -1.555 12.821 15.498 1.00 1.14 H new ATOM 0 HG23 THR B 14 -3.298 12.743 15.148 1.00 1.14 H new ATOM 1720 N THR B 15 0.503 13.059 13.069 1.00 0.76 N ATOM 1721 CA THR B 15 1.742 13.805 13.356 1.00 0.81 C ATOM 1722 C THR B 15 1.973 14.887 12.325 1.00 0.83 C ATOM 1723 O THR B 15 2.005 16.041 12.729 1.00 1.07 O ATOM 1724 CB THR B 15 2.939 12.849 13.363 1.00 0.83 C ATOM 1725 OG1 THR B 15 2.779 11.922 12.321 1.00 1.38 O ATOM 1726 CG2 THR B 15 3.035 12.063 14.668 1.00 1.10 C ATOM 0 H THR B 15 0.679 12.079 12.848 1.00 0.76 H new ATOM 0 HA THR B 15 1.637 14.271 14.336 1.00 0.81 H new ATOM 0 HB THR B 15 3.843 13.447 13.246 1.00 0.83 H new ATOM 0 HG1 THR B 15 3.629 11.461 12.160 1.00 1.38 H new ATOM 0 HG21 THR B 15 3.898 11.398 14.629 1.00 1.10 H new ATOM 0 HG22 THR B 15 3.148 12.755 15.502 1.00 1.10 H new ATOM 0 HG23 THR B 15 2.128 11.474 14.805 1.00 1.10 H new ATOM 1734 N PHE B 16 2.041 14.570 11.031 1.00 0.73 N ATOM 1735 CA PHE B 16 2.253 15.504 9.914 1.00 0.69 C ATOM 1736 C PHE B 16 1.276 16.703 9.913 1.00 0.64 C ATOM 1737 O PHE B 16 1.612 17.773 9.397 1.00 0.73 O ATOM 1738 CB PHE B 16 2.169 14.678 8.615 1.00 0.70 C ATOM 1739 CG PHE B 16 2.499 15.377 7.307 1.00 0.66 C ATOM 1740 CD1 PHE B 16 1.481 16.042 6.602 1.00 1.61 C ATOM 1741 CD2 PHE B 16 3.783 15.290 6.735 1.00 1.70 C ATOM 1742 CE1 PHE B 16 1.759 16.629 5.362 1.00 1.61 C ATOM 1743 CE2 PHE B 16 4.049 15.854 5.474 1.00 1.72 C ATOM 1744 CZ PHE B 16 3.040 16.556 4.790 1.00 0.70 C ATOM 0 H PHE B 16 1.945 13.606 10.713 1.00 0.73 H new ATOM 0 HA PHE B 16 3.233 15.971 10.013 1.00 0.69 H new ATOM 0 HB2 PHE B 16 2.840 13.825 8.717 1.00 0.70 H new ATOM 0 HB3 PHE B 16 1.157 14.280 8.536 1.00 0.70 H new ATOM 0 HD1 PHE B 16 0.485 16.100 7.017 1.00 1.61 H new ATOM 0 HD2 PHE B 16 4.573 14.784 7.271 1.00 1.70 H new ATOM 0 HE1 PHE B 16 0.973 17.149 4.834 1.00 1.61 H new ATOM 0 HE2 PHE B 16 5.028 15.748 5.031 1.00 1.72 H new ATOM 0 HZ PHE B 16 3.246 17.030 3.842 1.00 0.70 H new ATOM 1754 N HIS B 17 0.090 16.572 10.524 1.00 0.80 N ATOM 1755 CA HIS B 17 -0.883 17.665 10.683 1.00 0.81 C ATOM 1756 C HIS B 17 -0.403 18.784 11.626 1.00 0.74 C ATOM 1757 O HIS B 17 -0.693 19.945 11.360 1.00 0.83 O ATOM 1758 CB HIS B 17 -2.242 17.121 11.164 1.00 1.10 C ATOM 1759 CG HIS B 17 -3.322 17.179 10.113 1.00 1.27 C ATOM 1760 ND1 HIS B 17 -3.839 16.114 9.417 1.00 3.27 N ATOM 1761 CD2 HIS B 17 -4.004 18.293 9.699 1.00 1.30 C ATOM 1762 CE1 HIS B 17 -4.808 16.567 8.605 1.00 3.86 C ATOM 1763 NE2 HIS B 17 -4.942 17.898 8.737 1.00 2.33 N ATOM 0 H HIS B 17 -0.226 15.691 10.928 1.00 0.80 H new ATOM 0 HA HIS B 17 -0.993 18.112 9.695 1.00 0.81 H new ATOM 0 HB2 HIS B 17 -2.116 16.088 11.487 1.00 1.10 H new ATOM 0 HB3 HIS B 17 -2.564 17.691 12.036 1.00 1.10 H new ATOM 0 HD1 HIS B 17 -3.538 15.143 9.502 1.00 3.27 H new ATOM 0 HD2 HIS B 17 -3.846 19.301 10.053 1.00 1.30 H new ATOM 0 HE1 HIS B 17 -5.395 15.950 7.941 1.00 3.86 H new ATOM 1772 N LYS B 18 0.367 18.488 12.684 1.00 0.84 N ATOM 1773 CA LYS B 18 0.990 19.506 13.562 1.00 0.96 C ATOM 1774 C LYS B 18 1.824 20.485 12.734 1.00 0.94 C ATOM 1775 O LYS B 18 1.829 21.690 12.978 1.00 1.45 O ATOM 1776 CB LYS B 18 1.858 18.748 14.598 1.00 1.21 C ATOM 1777 CG LYS B 18 2.873 19.443 15.543 1.00 2.47 C ATOM 1778 CD LYS B 18 3.930 20.389 14.912 1.00 3.96 C ATOM 1779 CE LYS B 18 5.268 20.507 15.658 1.00 5.22 C ATOM 1780 NZ LYS B 18 6.308 21.197 14.839 1.00 6.81 N ATOM 0 H LYS B 18 0.580 17.530 12.961 1.00 0.84 H new ATOM 0 HA LYS B 18 0.233 20.098 14.076 1.00 0.96 H new ATOM 0 HB2 LYS B 18 1.164 18.206 15.240 1.00 1.21 H new ATOM 0 HB3 LYS B 18 2.423 18.003 14.037 1.00 1.21 H new ATOM 0 HG2 LYS B 18 2.307 20.017 16.276 1.00 2.47 H new ATOM 0 HG3 LYS B 18 3.406 18.665 16.090 1.00 2.47 H new ATOM 0 HD2 LYS B 18 4.133 20.047 13.897 1.00 3.96 H new ATOM 0 HD3 LYS B 18 3.494 21.385 14.832 1.00 3.96 H new ATOM 0 HE2 LYS B 18 5.117 21.055 16.588 1.00 5.22 H new ATOM 0 HE3 LYS B 18 5.621 19.512 15.928 1.00 5.22 H new ATOM 0 HZ1 LYS B 18 7.224 21.150 15.330 1.00 6.81 H new ATOM 0 HZ2 LYS B 18 6.387 20.730 13.913 1.00 6.81 H new ATOM 0 HZ3 LYS B 18 6.039 22.192 14.703 1.00 6.81 H new ATOM 1794 N TYR B 19 2.592 19.920 11.805 1.00 0.61 N ATOM 1795 CA TYR B 19 3.680 20.591 11.104 1.00 0.65 C ATOM 1796 C TYR B 19 3.127 21.358 9.899 1.00 0.77 C ATOM 1797 O TYR B 19 3.298 22.567 9.800 1.00 1.41 O ATOM 1798 CB TYR B 19 4.721 19.514 10.735 1.00 0.75 C ATOM 1799 CG TYR B 19 5.342 18.798 11.931 1.00 0.80 C ATOM 1800 CD1 TYR B 19 4.608 17.777 12.550 1.00 2.16 C ATOM 1801 CD2 TYR B 19 6.597 19.139 12.468 1.00 1.70 C ATOM 1802 CE1 TYR B 19 5.061 17.140 13.720 1.00 2.26 C ATOM 1803 CE2 TYR B 19 7.092 18.472 13.607 1.00 1.70 C ATOM 1804 CZ TYR B 19 6.318 17.485 14.252 1.00 1.00 C ATOM 1805 OH TYR B 19 6.776 16.863 15.374 1.00 1.16 O ATOM 0 H TYR B 19 2.469 18.951 11.511 1.00 0.61 H new ATOM 0 HA TYR B 19 4.172 21.340 11.725 1.00 0.65 H new ATOM 0 HB2 TYR B 19 4.247 18.774 10.091 1.00 0.75 H new ATOM 0 HB3 TYR B 19 5.516 19.980 10.153 1.00 0.75 H new ATOM 0 HD1 TYR B 19 3.668 17.470 12.116 1.00 2.16 H new ATOM 0 HD2 TYR B 19 7.185 19.917 12.004 1.00 1.70 H new ATOM 0 HE1 TYR B 19 4.450 16.393 14.205 1.00 2.26 H new ATOM 0 HE2 TYR B 19 8.072 18.719 13.989 1.00 1.70 H new ATOM 0 HH TYR B 19 6.415 15.953 15.414 1.00 1.16 H new ATOM 1815 N SER B 20 2.339 20.675 9.077 1.00 0.65 N ATOM 1816 CA SER B 20 1.612 21.239 7.937 1.00 0.67 C ATOM 1817 C SER B 20 0.509 22.236 8.354 1.00 0.83 C ATOM 1818 O SER B 20 0.140 23.130 7.598 1.00 1.41 O ATOM 1819 CB SER B 20 1.006 20.081 7.149 1.00 0.75 C ATOM 1820 OG SER B 20 1.949 19.049 6.946 1.00 1.79 O ATOM 0 H SER B 20 2.180 19.674 9.187 1.00 0.65 H new ATOM 0 HA SER B 20 2.315 21.808 7.329 1.00 0.67 H new ATOM 0 HB2 SER B 20 0.142 19.687 7.684 1.00 0.75 H new ATOM 0 HB3 SER B 20 0.646 20.443 6.186 1.00 0.75 H new ATOM 0 HG SER B 20 1.485 18.233 6.666 1.00 1.79 H new ATOM 1826 N GLY B 21 0.030 22.172 9.603 1.00 0.93 N ATOM 1827 CA GLY B 21 -0.873 23.169 10.196 1.00 1.33 C ATOM 1828 C GLY B 21 -0.246 24.561 10.396 1.00 1.68 C ATOM 1829 O GLY B 21 -0.905 25.443 10.941 1.00 2.19 O ATOM 0 H GLY B 21 0.263 21.412 10.242 1.00 0.93 H new ATOM 0 HA2 GLY B 21 -1.752 23.269 9.559 1.00 1.33 H new ATOM 0 HA3 GLY B 21 -1.219 22.799 11.161 1.00 1.33 H new ATOM 1832 N ARG B 22 1.006 24.754 9.965 1.00 1.84 N ATOM 1833 CA ARG B 22 1.723 26.037 9.922 1.00 2.42 C ATOM 1834 C ARG B 22 1.947 26.565 8.488 1.00 2.96 C ATOM 1835 O ARG B 22 2.526 27.637 8.339 1.00 3.99 O ATOM 1836 CB ARG B 22 3.058 25.864 10.645 1.00 2.41 C ATOM 1837 CG ARG B 22 2.834 25.687 12.160 1.00 2.11 C ATOM 1838 CD ARG B 22 3.805 24.668 12.751 1.00 1.79 C ATOM 1839 NE ARG B 22 5.203 24.915 12.386 1.00 2.23 N ATOM 1840 CZ ARG B 22 6.000 25.941 12.649 1.00 2.91 C ATOM 1841 NH1 ARG B 22 5.578 27.028 13.263 1.00 3.54 N ATOM 1842 NH2 ARG B 22 7.262 25.887 12.292 1.00 3.94 N ATOM 0 H ARG B 22 1.576 23.982 9.619 1.00 1.84 H new ATOM 0 HA ARG B 22 1.105 26.786 10.418 1.00 2.42 H new ATOM 0 HB2 ARG B 22 3.585 24.997 10.246 1.00 2.41 H new ATOM 0 HB3 ARG B 22 3.691 26.733 10.464 1.00 2.41 H new ATOM 0 HG2 ARG B 22 2.960 26.646 12.663 1.00 2.11 H new ATOM 0 HG3 ARG B 22 1.809 25.364 12.343 1.00 2.11 H new ATOM 0 HD2 ARG B 22 3.714 24.678 13.837 1.00 1.79 H new ATOM 0 HD3 ARG B 22 3.521 23.670 12.416 1.00 1.79 H new ATOM 0 HE ARG B 22 5.635 24.172 11.837 1.00 2.23 H new ATOM 0 HH11 ARG B 22 4.604 27.103 13.556 1.00 3.54 H new ATOM 0 HH12 ARG B 22 6.226 27.795 13.446 1.00 3.54 H new ATOM 0 HH21 ARG B 22 7.622 25.060 11.816 1.00 3.94 H new ATOM 0 HH22 ARG B 22 7.882 26.672 12.490 1.00 3.94 H new ATOM 1856 N GLU B 23 1.559 25.796 7.467 1.00 2.59 N ATOM 1857 CA GLU B 23 2.125 25.855 6.106 1.00 3.48 C ATOM 1858 C GLU B 23 1.036 26.087 5.029 1.00 3.09 C ATOM 1859 O GLU B 23 -0.131 26.336 5.350 1.00 2.97 O ATOM 1860 CB GLU B 23 2.905 24.540 5.878 1.00 4.46 C ATOM 1861 CG GLU B 23 4.033 24.277 6.905 1.00 5.46 C ATOM 1862 CD GLU B 23 5.391 24.893 6.546 1.00 5.93 C ATOM 1863 OE1 GLU B 23 5.455 25.795 5.692 1.00 6.18 O ATOM 1864 OE2 GLU B 23 6.407 24.404 7.106 1.00 6.66 O ATOM 0 H GLU B 23 0.824 25.095 7.561 1.00 2.59 H new ATOM 0 HA GLU B 23 2.796 26.709 6.014 1.00 3.48 H new ATOM 0 HB2 GLU B 23 2.203 23.706 5.906 1.00 4.46 H new ATOM 0 HB3 GLU B 23 3.338 24.558 4.878 1.00 4.46 H new ATOM 0 HG2 GLU B 23 3.719 24.665 7.874 1.00 5.46 H new ATOM 0 HG3 GLU B 23 4.158 23.200 7.018 1.00 5.46 H new ATOM 1871 N GLY B 24 1.395 26.029 3.735 1.00 3.69 N ATOM 1872 CA GLY B 24 0.539 26.441 2.610 1.00 3.60 C ATOM 1873 C GLY B 24 -0.690 25.551 2.416 1.00 2.74 C ATOM 1874 O GLY B 24 -1.748 26.014 1.975 1.00 3.12 O ATOM 0 H GLY B 24 2.308 25.687 3.436 1.00 3.69 H new ATOM 0 HA2 GLY B 24 0.211 27.468 2.771 1.00 3.60 H new ATOM 0 HA3 GLY B 24 1.130 26.435 1.694 1.00 3.60 H new ATOM 1877 N SER B 25 -0.598 24.292 2.831 1.00 2.19 N ATOM 1878 CA SER B 25 -1.725 23.396 3.057 1.00 1.58 C ATOM 1879 C SER B 25 -1.390 22.366 4.143 1.00 1.35 C ATOM 1880 O SER B 25 -0.257 21.934 4.271 1.00 1.74 O ATOM 1881 CB SER B 25 -2.120 22.700 1.745 1.00 2.62 C ATOM 1882 OG SER B 25 -3.398 22.092 1.862 1.00 3.96 O ATOM 0 H SER B 25 0.301 23.851 3.027 1.00 2.19 H new ATOM 0 HA SER B 25 -2.574 23.985 3.404 1.00 1.58 H new ATOM 0 HB2 SER B 25 -2.131 23.426 0.932 1.00 2.62 H new ATOM 0 HB3 SER B 25 -1.375 21.946 1.490 1.00 2.62 H new ATOM 0 HG SER B 25 -3.305 21.213 2.285 1.00 3.96 H new ATOM 1888 N LYS B 26 -2.373 21.862 4.897 1.00 1.20 N ATOM 1889 CA LYS B 26 -2.143 20.769 5.864 1.00 1.20 C ATOM 1890 C LYS B 26 -1.651 19.435 5.234 1.00 1.14 C ATOM 1891 O LYS B 26 -1.402 18.471 5.957 1.00 1.37 O ATOM 1892 CB LYS B 26 -3.373 20.569 6.767 1.00 1.50 C ATOM 1893 CG LYS B 26 -4.701 20.500 6.003 1.00 2.08 C ATOM 1894 CD LYS B 26 -5.411 21.861 6.007 1.00 1.71 C ATOM 1895 CE LYS B 26 -6.310 21.958 4.781 1.00 2.01 C ATOM 1896 NZ LYS B 26 -5.614 22.485 3.586 1.00 3.48 N ATOM 0 H LYS B 26 -3.338 22.190 4.860 1.00 1.20 H new ATOM 0 HA LYS B 26 -1.307 21.094 6.483 1.00 1.20 H new ATOM 0 HB2 LYS B 26 -3.246 19.650 7.339 1.00 1.50 H new ATOM 0 HB3 LYS B 26 -3.421 21.387 7.486 1.00 1.50 H new ATOM 0 HG2 LYS B 26 -4.517 20.185 4.976 1.00 2.08 H new ATOM 0 HG3 LYS B 26 -5.347 19.748 6.457 1.00 2.08 H new ATOM 0 HD2 LYS B 26 -6.002 21.974 6.916 1.00 1.71 H new ATOM 0 HD3 LYS B 26 -4.678 22.668 6.000 1.00 1.71 H new ATOM 0 HE2 LYS B 26 -6.711 20.970 4.554 1.00 2.01 H new ATOM 0 HE3 LYS B 26 -7.159 22.601 5.012 1.00 2.01 H new ATOM 0 HZ1 LYS B 26 -6.264 22.479 2.775 1.00 3.48 H new ATOM 0 HZ2 LYS B 26 -5.298 23.459 3.769 1.00 3.48 H new ATOM 0 HZ3 LYS B 26 -4.789 21.888 3.373 1.00 3.48 H new ATOM 1910 N LEU B 27 -1.520 19.361 3.903 1.00 1.04 N ATOM 1911 CA LEU B 27 -0.898 18.251 3.174 1.00 1.07 C ATOM 1912 C LEU B 27 0.573 18.512 2.783 1.00 0.92 C ATOM 1913 O LEU B 27 1.193 17.607 2.224 1.00 0.90 O ATOM 1914 CB LEU B 27 -1.718 17.934 1.920 1.00 1.36 C ATOM 1915 CG LEU B 27 -3.173 17.490 2.161 1.00 1.87 C ATOM 1916 CD1 LEU B 27 -3.730 17.121 0.782 1.00 2.08 C ATOM 1917 CD2 LEU B 27 -3.352 16.323 3.148 1.00 2.78 C ATOM 0 H LEU B 27 -1.856 20.099 3.284 1.00 1.04 H new ATOM 0 HA LEU B 27 -0.890 17.400 3.855 1.00 1.07 H new ATOM 0 HB2 LEU B 27 -1.729 18.819 1.284 1.00 1.36 H new ATOM 0 HB3 LEU B 27 -1.206 17.148 1.364 1.00 1.36 H new ATOM 0 HG LEU B 27 -3.709 18.310 2.640 1.00 1.87 H new ATOM 0 HD11 LEU B 27 -4.765 16.795 0.883 1.00 2.08 H new ATOM 0 HD12 LEU B 27 -3.685 17.991 0.127 1.00 2.08 H new ATOM 0 HD13 LEU B 27 -3.136 16.314 0.354 1.00 2.08 H new ATOM 0 HD21 LEU B 27 -4.412 16.089 3.247 1.00 2.78 H new ATOM 0 HD22 LEU B 27 -2.820 15.447 2.776 1.00 2.78 H new ATOM 0 HD23 LEU B 27 -2.951 16.605 4.121 1.00 2.78 H new ATOM 1929 N THR B 28 1.129 19.688 3.101 1.00 0.93 N ATOM 1930 CA THR B 28 2.516 20.073 2.807 1.00 0.81 C ATOM 1931 C THR B 28 3.215 20.773 3.975 1.00 0.80 C ATOM 1932 O THR B 28 2.561 21.328 4.850 1.00 0.92 O ATOM 1933 CB THR B 28 2.575 20.986 1.579 1.00 0.80 C ATOM 1934 OG1 THR B 28 1.692 22.077 1.744 1.00 0.95 O ATOM 1935 CG2 THR B 28 2.192 20.280 0.280 1.00 0.84 C ATOM 0 H THR B 28 0.610 20.421 3.585 1.00 0.93 H new ATOM 0 HA THR B 28 3.045 19.139 2.617 1.00 0.81 H new ATOM 0 HB THR B 28 3.612 21.311 1.502 1.00 0.80 H new ATOM 0 HG1 THR B 28 2.206 22.910 1.787 1.00 0.95 H new ATOM 0 HG21 THR B 28 2.255 20.985 -0.549 1.00 0.84 H new ATOM 0 HG22 THR B 28 2.874 19.449 0.103 1.00 0.84 H new ATOM 0 HG23 THR B 28 1.173 19.902 0.358 1.00 0.84 H new ATOM 1943 N LEU B 29 4.553 20.777 3.967 1.00 0.72 N ATOM 1944 CA LEU B 29 5.384 21.490 4.957 1.00 0.72 C ATOM 1945 C LEU B 29 6.774 21.860 4.433 1.00 0.68 C ATOM 1946 O LEU B 29 7.264 21.247 3.493 1.00 0.77 O ATOM 1947 CB LEU B 29 5.477 20.697 6.285 1.00 0.75 C ATOM 1948 CG LEU B 29 6.476 19.521 6.300 1.00 0.69 C ATOM 1949 CD1 LEU B 29 6.452 18.840 7.671 1.00 0.89 C ATOM 1950 CD2 LEU B 29 6.191 18.463 5.226 1.00 0.67 C ATOM 0 H LEU B 29 5.101 20.280 3.265 1.00 0.72 H new ATOM 0 HA LEU B 29 4.876 22.434 5.153 1.00 0.72 H new ATOM 0 HB2 LEU B 29 5.750 21.390 7.081 1.00 0.75 H new ATOM 0 HB3 LEU B 29 4.487 20.310 6.525 1.00 0.75 H new ATOM 0 HG LEU B 29 7.455 19.950 6.086 1.00 0.69 H new ATOM 0 HD11 LEU B 29 7.159 18.010 7.677 1.00 0.89 H new ATOM 0 HD12 LEU B 29 6.731 19.560 8.440 1.00 0.89 H new ATOM 0 HD13 LEU B 29 5.449 18.464 7.873 1.00 0.89 H new ATOM 0 HD21 LEU B 29 6.932 17.666 5.295 1.00 0.67 H new ATOM 0 HD22 LEU B 29 5.195 18.047 5.380 1.00 0.67 H new ATOM 0 HD23 LEU B 29 6.243 18.923 4.239 1.00 0.67 H new ATOM 1962 N SER B 30 7.428 22.837 5.046 1.00 0.65 N ATOM 1963 CA SER B 30 8.770 23.288 4.663 1.00 0.69 C ATOM 1964 C SER B 30 9.867 22.238 4.941 1.00 0.71 C ATOM 1965 O SER B 30 9.829 21.564 5.978 1.00 0.77 O ATOM 1966 CB SER B 30 9.093 24.609 5.384 1.00 0.83 C ATOM 1967 OG SER B 30 8.984 24.483 6.796 1.00 1.62 O ATOM 0 H SER B 30 7.039 23.350 5.837 1.00 0.65 H new ATOM 0 HA SER B 30 8.764 23.442 3.584 1.00 0.69 H new ATOM 0 HB2 SER B 30 10.103 24.926 5.125 1.00 0.83 H new ATOM 0 HB3 SER B 30 8.415 25.388 5.036 1.00 0.83 H new ATOM 0 HG SER B 30 8.078 24.728 7.077 1.00 1.62 H new ATOM 1973 N ARG B 31 10.906 22.129 4.087 1.00 0.75 N ATOM 1974 CA ARG B 31 12.016 21.185 4.359 1.00 0.81 C ATOM 1975 C ARG B 31 12.798 21.490 5.654 1.00 0.80 C ATOM 1976 O ARG B 31 13.496 20.610 6.163 1.00 0.96 O ATOM 1977 CB ARG B 31 12.987 20.935 3.183 1.00 1.05 C ATOM 1978 CG ARG B 31 12.563 21.294 1.747 1.00 1.22 C ATOM 1979 CD ARG B 31 13.476 20.571 0.736 1.00 1.12 C ATOM 1980 NE ARG B 31 12.844 20.357 -0.574 1.00 2.15 N ATOM 1981 CZ ARG B 31 12.471 19.199 -1.124 1.00 2.38 C ATOM 1982 NH1 ARG B 31 12.704 18.018 -0.580 1.00 2.30 N ATOM 1983 NH2 ARG B 31 11.822 19.201 -2.259 1.00 4.02 N ATOM 0 H ARG B 31 11.002 22.666 3.225 1.00 0.75 H new ATOM 0 HA ARG B 31 11.478 20.248 4.506 1.00 0.81 H new ATOM 0 HB2 ARG B 31 13.904 21.484 3.397 1.00 1.05 H new ATOM 0 HB3 ARG B 31 13.240 19.875 3.191 1.00 1.05 H new ATOM 0 HG2 ARG B 31 11.524 21.007 1.582 1.00 1.22 H new ATOM 0 HG3 ARG B 31 12.623 22.372 1.599 1.00 1.22 H new ATOM 0 HD2 ARG B 31 14.388 21.153 0.600 1.00 1.12 H new ATOM 0 HD3 ARG B 31 13.772 19.607 1.150 1.00 1.12 H new ATOM 0 HE ARG B 31 12.669 21.194 -1.130 1.00 2.15 H new ATOM 0 HH11 ARG B 31 13.195 17.955 0.312 1.00 2.30 H new ATOM 0 HH12 ARG B 31 12.393 17.169 -1.052 1.00 2.30 H new ATOM 0 HH21 ARG B 31 11.603 20.084 -2.720 1.00 4.02 H new ATOM 0 HH22 ARG B 31 11.535 18.319 -2.684 1.00 4.02 H new ATOM 1997 N LYS B 32 12.633 22.689 6.230 1.00 0.77 N ATOM 1998 CA LYS B 32 12.994 23.021 7.615 1.00 0.87 C ATOM 1999 C LYS B 32 12.084 22.323 8.648 1.00 0.82 C ATOM 2000 O LYS B 32 12.593 21.533 9.443 1.00 0.84 O ATOM 2001 CB LYS B 32 12.966 24.555 7.796 1.00 1.07 C ATOM 2002 CG LYS B 32 14.356 25.201 7.888 1.00 1.46 C ATOM 2003 CD LYS B 32 15.231 25.029 6.641 1.00 2.49 C ATOM 2004 CE LYS B 32 16.427 25.982 6.767 1.00 3.30 C ATOM 2005 NZ LYS B 32 17.277 25.949 5.562 1.00 4.68 N ATOM 0 H LYS B 32 12.231 23.481 5.728 1.00 0.77 H new ATOM 0 HA LYS B 32 14.002 22.649 7.800 1.00 0.87 H new ATOM 0 HB2 LYS B 32 12.426 24.999 6.960 1.00 1.07 H new ATOM 0 HB3 LYS B 32 12.406 24.793 8.700 1.00 1.07 H new ATOM 0 HG2 LYS B 32 14.233 26.266 8.084 1.00 1.46 H new ATOM 0 HG3 LYS B 32 14.881 24.778 8.744 1.00 1.46 H new ATOM 0 HD2 LYS B 32 15.573 23.998 6.554 1.00 2.49 H new ATOM 0 HD3 LYS B 32 14.659 25.252 5.740 1.00 2.49 H new ATOM 0 HE2 LYS B 32 16.068 26.998 6.932 1.00 3.30 H new ATOM 0 HE3 LYS B 32 17.021 25.708 7.639 1.00 3.30 H new ATOM 0 HZ1 LYS B 32 18.026 26.665 5.646 1.00 4.68 H new ATOM 0 HZ2 LYS B 32 17.707 25.007 5.466 1.00 4.68 H new ATOM 0 HZ3 LYS B 32 16.697 26.152 4.723 1.00 4.68 H new ATOM 2019 N GLU B 33 10.769 22.556 8.616 1.00 0.86 N ATOM 2020 CA GLU B 33 9.804 21.948 9.543 1.00 0.85 C ATOM 2021 C GLU B 33 9.824 20.406 9.469 1.00 0.83 C ATOM 2022 O GLU B 33 9.772 19.737 10.505 1.00 0.85 O ATOM 2023 CB GLU B 33 8.412 22.530 9.233 1.00 0.89 C ATOM 2024 CG GLU B 33 7.277 22.020 10.128 1.00 1.20 C ATOM 2025 CD GLU B 33 7.265 22.556 11.561 1.00 1.98 C ATOM 2026 OE1 GLU B 33 8.150 23.356 11.925 1.00 2.17 O ATOM 2027 OE2 GLU B 33 6.297 22.257 12.303 1.00 3.41 O ATOM 0 H GLU B 33 10.336 23.181 7.936 1.00 0.86 H new ATOM 0 HA GLU B 33 10.077 22.190 10.570 1.00 0.85 H new ATOM 0 HB2 GLU B 33 8.462 23.615 9.320 1.00 0.89 H new ATOM 0 HB3 GLU B 33 8.164 22.305 8.196 1.00 0.89 H new ATOM 0 HG2 GLU B 33 6.327 22.274 9.658 1.00 1.20 H new ATOM 0 HG3 GLU B 33 7.332 20.932 10.168 1.00 1.20 H new ATOM 2034 N LEU B 34 9.965 19.822 8.268 1.00 0.81 N ATOM 2035 CA LEU B 34 10.087 18.370 8.089 1.00 0.78 C ATOM 2036 C LEU B 34 11.286 17.770 8.837 1.00 0.73 C ATOM 2037 O LEU B 34 11.238 16.634 9.315 1.00 0.60 O ATOM 2038 CB LEU B 34 10.171 18.034 6.582 1.00 0.82 C ATOM 2039 CG LEU B 34 10.447 16.537 6.307 1.00 0.87 C ATOM 2040 CD1 LEU B 34 9.393 15.618 6.921 1.00 1.15 C ATOM 2041 CD2 LEU B 34 10.519 16.229 4.813 1.00 1.05 C ATOM 0 H LEU B 34 9.997 20.346 7.394 1.00 0.81 H new ATOM 0 HA LEU B 34 9.195 17.918 8.522 1.00 0.78 H new ATOM 0 HB2 LEU B 34 9.236 18.319 6.100 1.00 0.82 H new ATOM 0 HB3 LEU B 34 10.960 18.632 6.126 1.00 0.82 H new ATOM 0 HG LEU B 34 11.412 16.344 6.775 1.00 0.87 H new ATOM 0 HD11 LEU B 34 9.639 14.580 6.695 1.00 1.15 H new ATOM 0 HD12 LEU B 34 9.372 15.759 8.002 1.00 1.15 H new ATOM 0 HD13 LEU B 34 8.414 15.858 6.505 1.00 1.15 H new ATOM 0 HD21 LEU B 34 10.714 15.166 4.670 1.00 1.05 H new ATOM 0 HD22 LEU B 34 9.572 16.491 4.341 1.00 1.05 H new ATOM 0 HD23 LEU B 34 11.322 16.810 4.360 1.00 1.05 H new ATOM 2053 N LYS B 35 12.392 18.503 8.935 1.00 0.87 N ATOM 2054 CA LYS B 35 13.593 17.990 9.588 1.00 0.77 C ATOM 2055 C LYS B 35 13.395 17.832 11.097 1.00 0.72 C ATOM 2056 O LYS B 35 13.885 16.856 11.668 1.00 0.70 O ATOM 2057 CB LYS B 35 14.753 18.915 9.235 1.00 0.96 C ATOM 2058 CG LYS B 35 16.032 18.472 9.945 1.00 1.25 C ATOM 2059 CD LYS B 35 17.213 19.303 9.460 1.00 1.34 C ATOM 2060 CE LYS B 35 17.564 18.886 8.025 1.00 2.29 C ATOM 2061 NZ LYS B 35 18.933 19.284 7.633 1.00 3.15 N ATOM 0 H LYS B 35 12.482 19.452 8.572 1.00 0.87 H new ATOM 0 HA LYS B 35 13.818 16.986 9.227 1.00 0.77 H new ATOM 0 HB2 LYS B 35 14.911 18.914 8.156 1.00 0.96 H new ATOM 0 HB3 LYS B 35 14.509 19.938 9.520 1.00 0.96 H new ATOM 0 HG2 LYS B 35 15.916 18.584 11.023 1.00 1.25 H new ATOM 0 HG3 LYS B 35 16.217 17.415 9.752 1.00 1.25 H new ATOM 0 HD2 LYS B 35 16.965 20.364 9.493 1.00 1.34 H new ATOM 0 HD3 LYS B 35 18.071 19.155 10.115 1.00 1.34 H new ATOM 0 HE2 LYS B 35 17.463 17.805 7.930 1.00 2.29 H new ATOM 0 HE3 LYS B 35 16.848 19.334 7.336 1.00 2.29 H new ATOM 0 HZ1 LYS B 35 19.123 18.963 6.662 1.00 3.15 H new ATOM 0 HZ2 LYS B 35 19.020 20.319 7.679 1.00 3.15 H new ATOM 0 HZ3 LYS B 35 19.620 18.850 8.282 1.00 3.15 H new ATOM 2075 N GLU B 36 12.660 18.759 11.722 1.00 0.81 N ATOM 2076 CA GLU B 36 12.135 18.539 13.069 1.00 0.84 C ATOM 2077 C GLU B 36 11.281 17.261 13.094 1.00 0.72 C ATOM 2078 O GLU B 36 11.544 16.378 13.911 1.00 0.92 O ATOM 2079 CB GLU B 36 11.333 19.752 13.597 1.00 1.19 C ATOM 2080 CG GLU B 36 10.799 19.394 14.988 1.00 1.76 C ATOM 2081 CD GLU B 36 9.982 20.453 15.713 1.00 3.06 C ATOM 2082 OE1 GLU B 36 10.567 21.120 16.585 1.00 3.29 O ATOM 2083 OE2 GLU B 36 8.733 20.335 15.730 1.00 4.78 O ATOM 0 H GLU B 36 12.418 19.663 11.317 1.00 0.81 H new ATOM 0 HA GLU B 36 12.986 18.416 13.739 1.00 0.84 H new ATOM 0 HB2 GLU B 36 11.968 20.636 13.648 1.00 1.19 H new ATOM 0 HB3 GLU B 36 10.511 19.989 12.922 1.00 1.19 H new ATOM 0 HG2 GLU B 36 10.184 18.499 14.894 1.00 1.76 H new ATOM 0 HG3 GLU B 36 11.648 19.132 15.619 1.00 1.76 H new ATOM 2090 N LEU B 37 10.286 17.159 12.204 1.00 0.59 N ATOM 2091 CA LEU B 37 9.270 16.105 12.232 1.00 0.60 C ATOM 2092 C LEU B 37 9.880 14.699 12.298 1.00 0.70 C ATOM 2093 O LEU B 37 9.595 13.965 13.240 1.00 0.83 O ATOM 2094 CB LEU B 37 8.330 16.322 11.025 1.00 0.57 C ATOM 2095 CG LEU B 37 7.263 15.255 10.716 1.00 0.63 C ATOM 2096 CD1 LEU B 37 6.327 14.888 11.871 1.00 0.97 C ATOM 2097 CD2 LEU B 37 6.400 15.770 9.551 1.00 1.20 C ATOM 0 H LEU B 37 10.164 17.817 11.434 1.00 0.59 H new ATOM 0 HA LEU B 37 8.685 16.173 13.149 1.00 0.60 H new ATOM 0 HB2 LEU B 37 7.815 17.271 11.174 1.00 0.57 H new ATOM 0 HB3 LEU B 37 8.953 16.433 10.137 1.00 0.57 H new ATOM 0 HG LEU B 37 7.817 14.345 10.488 1.00 0.63 H new ATOM 0 HD11 LEU B 37 5.619 14.129 11.538 1.00 0.97 H new ATOM 0 HD12 LEU B 37 6.912 14.498 12.704 1.00 0.97 H new ATOM 0 HD13 LEU B 37 5.783 15.775 12.194 1.00 0.97 H new ATOM 0 HD21 LEU B 37 5.635 15.032 9.311 1.00 1.20 H new ATOM 0 HD22 LEU B 37 5.923 16.707 9.838 1.00 1.20 H new ATOM 0 HD23 LEU B 37 7.030 15.936 8.677 1.00 1.20 H new ATOM 2109 N ILE B 38 10.770 14.356 11.365 1.00 0.71 N ATOM 2110 CA ILE B 38 11.407 13.026 11.285 1.00 0.90 C ATOM 2111 C ILE B 38 12.105 12.631 12.600 1.00 1.08 C ATOM 2112 O ILE B 38 11.943 11.502 13.054 1.00 1.41 O ATOM 2113 CB ILE B 38 12.396 13.001 10.098 1.00 0.81 C ATOM 2114 CG1 ILE B 38 11.666 13.172 8.745 1.00 1.21 C ATOM 2115 CG2 ILE B 38 13.238 11.706 10.070 1.00 1.25 C ATOM 2116 CD1 ILE B 38 12.579 13.805 7.690 1.00 1.52 C ATOM 0 H ILE B 38 11.077 14.996 10.632 1.00 0.71 H new ATOM 0 HA ILE B 38 10.625 12.284 11.120 1.00 0.90 H new ATOM 0 HB ILE B 38 13.069 13.846 10.246 1.00 0.81 H new ATOM 0 HG12 ILE B 38 11.320 12.201 8.392 1.00 1.21 H new ATOM 0 HG13 ILE B 38 10.782 13.795 8.883 1.00 1.21 H new ATOM 0 HG21 ILE B 38 13.919 11.733 9.219 1.00 1.25 H new ATOM 0 HG22 ILE B 38 13.813 11.626 10.992 1.00 1.25 H new ATOM 0 HG23 ILE B 38 12.577 10.844 9.979 1.00 1.25 H new ATOM 0 HD11 ILE B 38 12.033 13.910 6.752 1.00 1.52 H new ATOM 0 HD12 ILE B 38 12.904 14.787 8.033 1.00 1.52 H new ATOM 0 HD13 ILE B 38 13.450 13.169 7.533 1.00 1.52 H new ATOM 2128 N LYS B 39 12.866 13.526 13.236 1.00 1.07 N ATOM 2129 CA LYS B 39 13.605 13.215 14.461 1.00 1.39 C ATOM 2130 C LYS B 39 12.789 13.403 15.756 1.00 1.44 C ATOM 2131 O LYS B 39 13.196 12.942 16.820 1.00 1.81 O ATOM 2132 CB LYS B 39 14.889 14.045 14.428 1.00 1.58 C ATOM 2133 CG LYS B 39 15.825 13.495 13.337 1.00 1.93 C ATOM 2134 CD LYS B 39 17.311 13.630 13.673 1.00 1.79 C ATOM 2135 CE LYS B 39 18.085 12.898 12.577 1.00 3.11 C ATOM 2136 NZ LYS B 39 19.527 12.768 12.871 1.00 3.86 N ATOM 0 H LYS B 39 12.987 14.487 12.915 1.00 1.07 H new ATOM 0 HA LYS B 39 13.841 12.151 14.484 1.00 1.39 H new ATOM 0 HB2 LYS B 39 14.654 15.091 14.228 1.00 1.58 H new ATOM 0 HB3 LYS B 39 15.383 14.009 15.399 1.00 1.58 H new ATOM 0 HG2 LYS B 39 15.594 12.443 13.170 1.00 1.93 H new ATOM 0 HG3 LYS B 39 15.625 14.018 12.402 1.00 1.93 H new ATOM 0 HD2 LYS B 39 17.603 14.679 13.716 1.00 1.79 H new ATOM 0 HD3 LYS B 39 17.526 13.199 14.651 1.00 1.79 H new ATOM 0 HE2 LYS B 39 17.658 11.905 12.441 1.00 3.11 H new ATOM 0 HE3 LYS B 39 17.959 13.431 11.635 1.00 3.11 H new ATOM 0 HZ1 LYS B 39 19.971 12.149 12.163 1.00 3.86 H new ATOM 0 HZ2 LYS B 39 19.974 13.707 12.840 1.00 3.86 H new ATOM 0 HZ3 LYS B 39 19.653 12.356 13.818 1.00 3.86 H new ATOM 2150 N LYS B 40 11.615 14.043 15.679 1.00 1.19 N ATOM 2151 CA LYS B 40 10.571 13.956 16.711 1.00 1.41 C ATOM 2152 C LYS B 40 9.859 12.597 16.669 1.00 1.61 C ATOM 2153 O LYS B 40 9.671 11.957 17.698 1.00 1.91 O ATOM 2154 CB LYS B 40 9.531 15.073 16.499 1.00 1.51 C ATOM 2155 CG LYS B 40 10.011 16.481 16.778 1.00 1.58 C ATOM 2156 CD LYS B 40 10.057 16.718 18.277 1.00 2.20 C ATOM 2157 CE LYS B 40 10.686 18.093 18.481 1.00 2.09 C ATOM 2158 NZ LYS B 40 9.735 19.227 18.335 1.00 3.32 N ATOM 0 H LYS B 40 11.360 14.641 14.893 1.00 1.19 H new ATOM 0 HA LYS B 40 11.052 14.070 17.683 1.00 1.41 H new ATOM 0 HB2 LYS B 40 9.181 15.026 15.468 1.00 1.51 H new ATOM 0 HB3 LYS B 40 8.671 14.869 17.137 1.00 1.51 H new ATOM 0 HG2 LYS B 40 11.000 16.631 16.346 1.00 1.58 H new ATOM 0 HG3 LYS B 40 9.345 17.203 16.306 1.00 1.58 H new ATOM 0 HD2 LYS B 40 9.056 16.682 18.706 1.00 2.20 H new ATOM 0 HD3 LYS B 40 10.644 15.946 18.774 1.00 2.20 H new ATOM 0 HE2 LYS B 40 11.131 18.133 19.475 1.00 2.09 H new ATOM 0 HE3 LYS B 40 11.497 18.219 17.764 1.00 2.09 H new ATOM 0 HZ1 LYS B 40 10.259 20.089 18.082 1.00 3.32 H new ATOM 0 HZ2 LYS B 40 9.046 19.008 17.587 1.00 3.32 H new ATOM 0 HZ3 LYS B 40 9.234 19.378 19.234 1.00 3.32 H new ATOM 2172 N GLU B 41 9.443 12.213 15.464 1.00 1.51 N ATOM 2173 CA GLU B 41 8.698 10.983 15.174 1.00 1.74 C ATOM 2174 C GLU B 41 9.481 9.707 15.460 1.00 1.60 C ATOM 2175 O GLU B 41 8.890 8.760 15.969 1.00 1.71 O ATOM 2176 CB GLU B 41 8.302 10.897 13.697 1.00 2.23 C ATOM 2177 CG GLU B 41 7.081 11.733 13.332 1.00 2.09 C ATOM 2178 CD GLU B 41 6.444 11.221 12.040 1.00 3.66 C ATOM 2179 OE1 GLU B 41 7.159 10.622 11.209 1.00 4.87 O ATOM 2180 OE2 GLU B 41 5.207 11.375 11.901 1.00 4.27 O ATOM 0 H GLU B 41 9.621 12.770 14.628 1.00 1.51 H new ATOM 0 HA GLU B 41 7.831 11.045 15.832 1.00 1.74 H new ATOM 0 HB2 GLU B 41 9.145 11.219 13.086 1.00 2.23 H new ATOM 0 HB3 GLU B 41 8.105 9.855 13.445 1.00 2.23 H new ATOM 0 HG2 GLU B 41 6.353 11.696 14.142 1.00 2.09 H new ATOM 0 HG3 GLU B 41 7.371 12.777 13.212 1.00 2.09 H new ATOM 2187 N LEU B 42 10.766 9.645 15.106 1.00 1.55 N ATOM 2188 CA LEU B 42 11.585 8.446 15.293 1.00 1.60 C ATOM 2189 C LEU B 42 12.818 8.800 16.125 1.00 1.58 C ATOM 2190 O LEU B 42 13.646 9.617 15.717 1.00 1.86 O ATOM 2191 CB LEU B 42 11.919 7.859 13.902 1.00 1.74 C ATOM 2192 CG LEU B 42 11.743 6.329 13.845 1.00 1.85 C ATOM 2193 CD1 LEU B 42 11.639 5.862 12.389 1.00 2.17 C ATOM 2194 CD2 LEU B 42 12.897 5.593 14.540 1.00 2.55 C ATOM 0 H LEU B 42 11.268 10.425 14.682 1.00 1.55 H new ATOM 0 HA LEU B 42 11.052 7.674 15.849 1.00 1.60 H new ATOM 0 HB2 LEU B 42 11.277 8.323 13.153 1.00 1.74 H new ATOM 0 HB3 LEU B 42 12.947 8.112 13.642 1.00 1.74 H new ATOM 0 HG LEU B 42 10.822 6.088 14.376 1.00 1.85 H new ATOM 0 HD11 LEU B 42 11.515 4.779 12.362 1.00 2.17 H new ATOM 0 HD12 LEU B 42 10.780 6.338 11.915 1.00 2.17 H new ATOM 0 HD13 LEU B 42 12.548 6.136 11.853 1.00 2.17 H new ATOM 0 HD21 LEU B 42 12.733 4.517 14.477 1.00 2.55 H new ATOM 0 HD22 LEU B 42 13.837 5.846 14.050 1.00 2.55 H new ATOM 0 HD23 LEU B 42 12.941 5.892 15.587 1.00 2.55 H new ATOM 2206 N CYS B 43 12.957 8.175 17.299 1.00 1.53 N ATOM 2207 CA CYS B 43 13.954 8.532 18.320 1.00 1.54 C ATOM 2208 C CYS B 43 15.411 8.150 17.966 1.00 1.66 C ATOM 2209 O CYS B 43 16.268 8.075 18.846 1.00 2.78 O ATOM 2210 CB CYS B 43 13.504 7.884 19.639 1.00 1.93 C ATOM 2211 SG CYS B 43 12.075 8.750 20.346 1.00 3.44 S ATOM 0 H CYS B 43 12.368 7.389 17.574 1.00 1.53 H new ATOM 0 HA CYS B 43 13.988 9.619 18.397 1.00 1.54 H new ATOM 0 HB2 CYS B 43 13.249 6.839 19.464 1.00 1.93 H new ATOM 0 HB3 CYS B 43 14.328 7.896 20.352 1.00 1.93 H new ATOM 0 HG CYS B 43 11.724 8.173 21.456 1.00 3.44 H new ATOM 2217 N LEU B 44 15.701 7.909 16.683 1.00 1.68 N ATOM 2218 CA LEU B 44 16.847 7.132 16.198 1.00 2.06 C ATOM 2219 C LEU B 44 18.240 7.631 16.611 1.00 2.51 C ATOM 2220 O LEU B 44 19.178 6.836 16.592 1.00 3.60 O ATOM 2221 CB LEU B 44 16.723 6.925 14.674 1.00 2.40 C ATOM 2222 CG LEU B 44 17.355 8.009 13.785 1.00 3.17 C ATOM 2223 CD1 LEU B 44 17.220 7.584 12.319 1.00 3.97 C ATOM 2224 CD2 LEU B 44 16.711 9.395 13.952 1.00 4.39 C ATOM 0 H LEU B 44 15.120 8.264 15.923 1.00 1.68 H new ATOM 0 HA LEU B 44 16.787 6.174 16.714 1.00 2.06 H new ATOM 0 HB2 LEU B 44 17.178 5.967 14.421 1.00 2.40 H new ATOM 0 HB3 LEU B 44 15.665 6.852 14.424 1.00 2.40 H new ATOM 0 HG LEU B 44 18.397 8.101 14.091 1.00 3.17 H new ATOM 0 HD11 LEU B 44 17.665 8.345 11.677 1.00 3.97 H new ATOM 0 HD12 LEU B 44 17.734 6.635 12.166 1.00 3.97 H new ATOM 0 HD13 LEU B 44 16.165 7.470 12.069 1.00 3.97 H new ATOM 0 HD21 LEU B 44 17.208 10.109 13.294 1.00 4.39 H new ATOM 0 HD22 LEU B 44 15.654 9.338 13.694 1.00 4.39 H new ATOM 0 HD23 LEU B 44 16.815 9.722 14.987 1.00 4.39 H new ATOM 2236 N GLY B 45 18.359 8.885 17.067 1.00 2.32 N ATOM 2237 CA GLY B 45 19.559 9.427 17.711 1.00 2.77 C ATOM 2238 C GLY B 45 20.004 8.640 18.950 1.00 2.67 C ATOM 2239 O GLY B 45 21.146 8.776 19.367 1.00 3.25 O ATOM 0 H GLY B 45 17.603 9.566 16.996 1.00 2.32 H new ATOM 0 HA2 GLY B 45 20.374 9.440 16.988 1.00 2.77 H new ATOM 0 HA3 GLY B 45 19.371 10.462 17.997 1.00 2.77 H new ATOM 2242 N GLU B 46 19.127 7.802 19.511 1.00 2.86 N ATOM 2243 CA GLU B 46 19.448 6.857 20.592 1.00 3.58 C ATOM 2244 C GLU B 46 20.246 5.616 20.131 1.00 3.36 C ATOM 2245 O GLU B 46 20.730 4.867 20.976 1.00 4.37 O ATOM 2246 CB GLU B 46 18.143 6.455 21.316 1.00 4.43 C ATOM 2247 CG GLU B 46 17.321 5.407 20.548 1.00 4.27 C ATOM 2248 CD GLU B 46 15.865 5.313 21.006 1.00 5.26 C ATOM 2249 OE1 GLU B 46 15.566 5.164 22.211 1.00 5.97 O ATOM 2250 OE2 GLU B 46 14.980 5.309 20.131 1.00 6.01 O ATOM 0 H GLU B 46 18.150 7.759 19.221 1.00 2.86 H new ATOM 0 HA GLU B 46 20.116 7.372 21.283 1.00 3.58 H new ATOM 0 HB2 GLU B 46 18.389 6.062 22.303 1.00 4.43 H new ATOM 0 HB3 GLU B 46 17.532 7.344 21.470 1.00 4.43 H new ATOM 0 HG2 GLU B 46 17.344 5.648 19.485 1.00 4.27 H new ATOM 0 HG3 GLU B 46 17.793 4.431 20.664 1.00 4.27 H new ATOM 2257 N MET B 47 20.375 5.364 18.816 1.00 2.51 N ATOM 2258 CA MET B 47 21.039 4.171 18.258 1.00 2.80 C ATOM 2259 C MET B 47 21.498 4.340 16.801 1.00 2.33 C ATOM 2260 O MET B 47 22.533 4.947 16.547 1.00 2.41 O ATOM 2261 CB MET B 47 20.264 2.865 18.580 1.00 3.90 C ATOM 2262 CG MET B 47 18.748 2.852 18.313 1.00 3.75 C ATOM 2263 SD MET B 47 18.172 2.187 16.728 1.00 3.74 S ATOM 2264 CE MET B 47 17.553 3.729 16.016 1.00 2.71 C ATOM 0 H MET B 47 20.015 5.994 18.099 1.00 2.51 H new ATOM 0 HA MET B 47 21.986 4.058 18.785 1.00 2.80 H new ATOM 0 HB2 MET B 47 20.714 2.057 18.003 1.00 3.90 H new ATOM 0 HB3 MET B 47 20.422 2.632 19.633 1.00 3.90 H new ATOM 0 HG2 MET B 47 18.273 2.278 19.109 1.00 3.75 H new ATOM 0 HG3 MET B 47 18.385 3.876 18.398 1.00 3.75 H new ATOM 0 HE1 MET B 47 17.448 3.615 14.937 1.00 2.71 H new ATOM 0 HE2 MET B 47 16.583 3.967 16.452 1.00 2.71 H new ATOM 0 HE3 MET B 47 18.255 4.536 16.229 1.00 2.71 H new ATOM 2274 N LYS B 48 20.789 3.765 15.828 1.00 2.69 N ATOM 2275 CA LYS B 48 21.120 3.758 14.392 1.00 2.67 C ATOM 2276 C LYS B 48 20.977 5.143 13.709 1.00 2.88 C ATOM 2277 O LYS B 48 20.093 5.354 12.879 1.00 3.56 O ATOM 2278 CB LYS B 48 20.317 2.628 13.726 1.00 3.27 C ATOM 2279 CG LYS B 48 20.783 1.273 14.298 1.00 3.74 C ATOM 2280 CD LYS B 48 20.297 0.063 13.506 1.00 4.04 C ATOM 2281 CE LYS B 48 18.781 -0.179 13.589 1.00 5.00 C ATOM 2282 NZ LYS B 48 18.401 -1.419 12.867 1.00 6.14 N ATOM 0 H LYS B 48 19.922 3.264 16.025 1.00 2.69 H new ATOM 0 HA LYS B 48 22.183 3.551 14.264 1.00 2.67 H new ATOM 0 HB2 LYS B 48 19.251 2.766 13.908 1.00 3.27 H new ATOM 0 HB3 LYS B 48 20.462 2.650 12.646 1.00 3.27 H new ATOM 0 HG2 LYS B 48 21.872 1.259 14.330 1.00 3.74 H new ATOM 0 HG3 LYS B 48 20.433 1.185 15.327 1.00 3.74 H new ATOM 0 HD2 LYS B 48 20.576 0.192 12.460 1.00 4.04 H new ATOM 0 HD3 LYS B 48 20.815 -0.825 13.867 1.00 4.04 H new ATOM 0 HE2 LYS B 48 18.478 -0.254 14.633 1.00 5.00 H new ATOM 0 HE3 LYS B 48 18.249 0.672 13.163 1.00 5.00 H new ATOM 0 HZ1 LYS B 48 17.396 -1.625 13.036 1.00 6.14 H new ATOM 0 HZ2 LYS B 48 18.562 -1.290 11.848 1.00 6.14 H new ATOM 0 HZ3 LYS B 48 18.979 -2.212 13.211 1.00 6.14 H new ATOM 2296 N GLU B 49 21.846 6.070 14.108 1.00 3.02 N ATOM 2297 CA GLU B 49 21.966 7.467 13.682 1.00 3.46 C ATOM 2298 C GLU B 49 23.158 7.659 12.715 1.00 2.94 C ATOM 2299 O GLU B 49 24.071 6.835 12.679 1.00 3.32 O ATOM 2300 CB GLU B 49 22.147 8.284 14.976 1.00 4.69 C ATOM 2301 CG GLU B 49 22.291 9.806 14.851 1.00 5.13 C ATOM 2302 CD GLU B 49 21.151 10.442 14.064 1.00 6.34 C ATOM 2303 OE1 GLU B 49 20.097 10.756 14.655 1.00 7.44 O ATOM 2304 OE2 GLU B 49 21.344 10.665 12.848 1.00 6.65 O ATOM 0 H GLU B 49 22.554 5.841 14.806 1.00 3.02 H new ATOM 0 HA GLU B 49 21.085 7.794 13.130 1.00 3.46 H new ATOM 0 HB2 GLU B 49 21.293 8.081 15.622 1.00 4.69 H new ATOM 0 HB3 GLU B 49 23.031 7.906 15.489 1.00 4.69 H new ATOM 0 HG2 GLU B 49 22.329 10.246 15.847 1.00 5.13 H new ATOM 0 HG3 GLU B 49 23.238 10.038 14.363 1.00 5.13 H new ATOM 2311 N SER B 50 23.163 8.773 11.971 1.00 3.16 N ATOM 2312 CA SER B 50 24.203 9.279 11.061 1.00 3.00 C ATOM 2313 C SER B 50 24.192 8.634 9.656 1.00 2.43 C ATOM 2314 O SER B 50 23.576 7.591 9.452 1.00 3.18 O ATOM 2315 CB SER B 50 25.586 9.245 11.716 1.00 3.73 C ATOM 2316 OG SER B 50 26.186 7.969 11.624 1.00 3.71 O ATOM 0 H SER B 50 22.362 9.404 11.992 1.00 3.16 H new ATOM 0 HA SER B 50 23.950 10.323 10.878 1.00 3.00 H new ATOM 0 HB2 SER B 50 26.231 9.984 11.239 1.00 3.73 H new ATOM 0 HB3 SER B 50 25.497 9.529 12.765 1.00 3.73 H new ATOM 0 HG SER B 50 25.663 7.323 12.144 1.00 3.71 H new ATOM 2322 N SER B 51 24.811 9.284 8.654 1.00 2.28 N ATOM 2323 CA SER B 51 24.827 8.890 7.218 1.00 2.30 C ATOM 2324 C SER B 51 23.453 9.040 6.551 1.00 1.81 C ATOM 2325 O SER B 51 23.346 9.639 5.484 1.00 2.47 O ATOM 2326 CB SER B 51 25.356 7.458 7.027 1.00 2.82 C ATOM 2327 OG SER B 51 25.551 7.171 5.652 1.00 2.74 O ATOM 0 H SER B 51 25.341 10.139 8.823 1.00 2.28 H new ATOM 0 HA SER B 51 25.511 9.581 6.725 1.00 2.30 H new ATOM 0 HB2 SER B 51 26.297 7.339 7.565 1.00 2.82 H new ATOM 0 HB3 SER B 51 24.651 6.745 7.455 1.00 2.82 H new ATOM 0 HG SER B 51 25.889 6.256 5.553 1.00 2.74 H new ATOM 2333 N ILE B 52 22.386 8.587 7.214 1.00 1.34 N ATOM 2334 CA ILE B 52 20.997 8.972 6.932 1.00 1.52 C ATOM 2335 C ILE B 52 20.821 10.495 6.996 1.00 1.28 C ATOM 2336 O ILE B 52 20.013 11.058 6.265 1.00 1.54 O ATOM 2337 CB ILE B 52 20.033 8.223 7.887 1.00 1.98 C ATOM 2338 CG1 ILE B 52 20.130 8.625 9.382 1.00 2.18 C ATOM 2339 CG2 ILE B 52 20.232 6.701 7.735 1.00 2.52 C ATOM 2340 CD1 ILE B 52 19.233 9.808 9.775 1.00 2.42 C ATOM 0 H ILE B 52 22.465 7.923 7.984 1.00 1.34 H new ATOM 0 HA ILE B 52 20.746 8.676 5.913 1.00 1.52 H new ATOM 0 HB ILE B 52 19.031 8.524 7.580 1.00 1.98 H new ATOM 0 HG12 ILE B 52 19.866 7.764 9.996 1.00 2.18 H new ATOM 0 HG13 ILE B 52 21.165 8.876 9.613 1.00 2.18 H new ATOM 0 HG21 ILE B 52 19.553 6.176 8.407 1.00 2.52 H new ATOM 0 HG22 ILE B 52 20.023 6.408 6.706 1.00 2.52 H new ATOM 0 HG23 ILE B 52 21.261 6.442 7.984 1.00 2.52 H new ATOM 0 HD11 ILE B 52 19.360 10.025 10.836 1.00 2.42 H new ATOM 0 HD12 ILE B 52 19.510 10.685 9.190 1.00 2.42 H new ATOM 0 HD13 ILE B 52 18.191 9.555 9.579 1.00 2.42 H new ATOM 2352 N ASP B 53 21.630 11.177 7.813 1.00 1.18 N ATOM 2353 CA ASP B 53 21.645 12.636 7.916 1.00 1.40 C ATOM 2354 C ASP B 53 22.283 13.321 6.701 1.00 1.10 C ATOM 2355 O ASP B 53 22.215 14.544 6.601 1.00 1.14 O ATOM 2356 CB ASP B 53 22.241 13.099 9.265 1.00 2.15 C ATOM 2357 CG ASP B 53 21.133 13.468 10.267 1.00 3.85 C ATOM 2358 OD1 ASP B 53 20.070 12.813 10.231 1.00 5.37 O ATOM 2359 OD2 ASP B 53 21.295 14.394 11.094 1.00 4.26 O ATOM 0 H ASP B 53 22.303 10.722 8.430 1.00 1.18 H new ATOM 0 HA ASP B 53 20.606 12.966 7.903 1.00 1.40 H new ATOM 0 HB2 ASP B 53 22.862 12.306 9.682 1.00 2.15 H new ATOM 0 HB3 ASP B 53 22.889 13.960 9.103 1.00 2.15 H new ATOM 2364 N ASP B 54 22.822 12.573 5.734 1.00 1.05 N ATOM 2365 CA ASP B 54 23.114 13.137 4.414 1.00 1.10 C ATOM 2366 C ASP B 54 21.835 13.338 3.576 1.00 0.88 C ATOM 2367 O ASP B 54 21.737 14.304 2.812 1.00 0.97 O ATOM 2368 CB ASP B 54 24.164 12.314 3.664 1.00 1.48 C ATOM 2369 CG ASP B 54 24.812 13.225 2.621 1.00 2.18 C ATOM 2370 OD1 ASP B 54 25.802 13.897 2.992 1.00 3.66 O ATOM 2371 OD2 ASP B 54 24.264 13.426 1.511 1.00 2.11 O ATOM 0 H ASP B 54 23.062 11.587 5.838 1.00 1.05 H new ATOM 0 HA ASP B 54 23.542 14.126 4.579 1.00 1.10 H new ATOM 0 HB2 ASP B 54 24.914 11.930 4.355 1.00 1.48 H new ATOM 0 HB3 ASP B 54 23.702 11.451 3.184 1.00 1.48 H new ATOM 2376 N LEU B 55 20.801 12.508 3.785 1.00 0.75 N ATOM 2377 CA LEU B 55 19.455 12.771 3.264 1.00 0.77 C ATOM 2378 C LEU B 55 18.907 14.060 3.890 1.00 0.75 C ATOM 2379 O LEU B 55 18.406 14.922 3.176 1.00 0.82 O ATOM 2380 CB LEU B 55 18.503 11.582 3.515 1.00 0.83 C ATOM 2381 CG LEU B 55 19.002 10.181 3.110 1.00 0.85 C ATOM 2382 CD1 LEU B 55 17.977 9.127 3.543 1.00 0.93 C ATOM 2383 CD2 LEU B 55 19.258 10.072 1.600 1.00 1.02 C ATOM 0 H LEU B 55 20.876 11.641 4.317 1.00 0.75 H new ATOM 0 HA LEU B 55 19.521 12.899 2.183 1.00 0.77 H new ATOM 0 HB2 LEU B 55 18.263 11.561 4.578 1.00 0.83 H new ATOM 0 HB3 LEU B 55 17.572 11.776 2.982 1.00 0.83 H new ATOM 0 HG LEU B 55 19.953 10.008 3.614 1.00 0.85 H new ATOM 0 HD11 LEU B 55 18.330 8.137 3.256 1.00 0.93 H new ATOM 0 HD12 LEU B 55 17.848 9.167 4.625 1.00 0.93 H new ATOM 0 HD13 LEU B 55 17.022 9.326 3.056 1.00 0.93 H new ATOM 0 HD21 LEU B 55 19.608 9.068 1.362 1.00 1.02 H new ATOM 0 HD22 LEU B 55 18.333 10.272 1.059 1.00 1.02 H new ATOM 0 HD23 LEU B 55 20.015 10.799 1.306 1.00 1.02 H new ATOM 2395 N MET B 56 19.100 14.258 5.201 1.00 0.75 N ATOM 2396 CA MET B 56 18.744 15.497 5.913 1.00 0.83 C ATOM 2397 C MET B 56 19.537 16.719 5.420 1.00 0.88 C ATOM 2398 O MET B 56 18.962 17.788 5.217 1.00 1.03 O ATOM 2399 CB MET B 56 18.950 15.285 7.422 1.00 0.96 C ATOM 2400 CG MET B 56 17.987 14.239 7.986 1.00 1.14 C ATOM 2401 SD MET B 56 16.270 14.816 8.009 1.00 1.84 S ATOM 2402 CE MET B 56 15.946 14.525 9.757 1.00 1.57 C ATOM 0 H MET B 56 19.515 13.551 5.808 1.00 0.75 H new ATOM 0 HA MET B 56 17.696 15.714 5.705 1.00 0.83 H new ATOM 0 HB2 MET B 56 19.977 14.971 7.608 1.00 0.96 H new ATOM 0 HB3 MET B 56 18.806 16.231 7.945 1.00 0.96 H new ATOM 0 HG2 MET B 56 18.053 13.330 7.389 1.00 1.14 H new ATOM 0 HG3 MET B 56 18.293 13.978 8.999 1.00 1.14 H new ATOM 0 HE1 MET B 56 15.020 15.023 10.043 1.00 1.57 H new ATOM 0 HE2 MET B 56 15.852 13.454 9.936 1.00 1.57 H new ATOM 0 HE3 MET B 56 16.770 14.922 10.351 1.00 1.57 H new ATOM 2412 N LYS B 57 20.840 16.578 5.170 1.00 0.90 N ATOM 2413 CA LYS B 57 21.676 17.571 4.474 1.00 1.02 C ATOM 2414 C LYS B 57 21.131 17.846 3.061 1.00 1.02 C ATOM 2415 O LYS B 57 21.170 18.972 2.584 1.00 1.14 O ATOM 2416 CB LYS B 57 23.123 17.034 4.480 1.00 1.18 C ATOM 2417 CG LYS B 57 24.252 17.933 3.939 1.00 1.24 C ATOM 2418 CD LYS B 57 24.303 18.188 2.418 1.00 2.96 C ATOM 2419 CE LYS B 57 24.051 16.949 1.539 1.00 4.87 C ATOM 2420 NZ LYS B 57 25.190 16.003 1.539 1.00 6.16 N ATOM 0 H LYS B 57 21.362 15.748 5.452 1.00 0.90 H new ATOM 0 HA LYS B 57 21.658 18.537 4.979 1.00 1.02 H new ATOM 0 HB2 LYS B 57 23.374 16.773 5.508 1.00 1.18 H new ATOM 0 HB3 LYS B 57 23.134 16.109 3.904 1.00 1.18 H new ATOM 0 HG2 LYS B 57 24.179 18.899 4.438 1.00 1.24 H new ATOM 0 HG3 LYS B 57 25.203 17.492 4.237 1.00 1.24 H new ATOM 0 HD2 LYS B 57 23.563 18.948 2.168 1.00 2.96 H new ATOM 0 HD3 LYS B 57 25.281 18.600 2.167 1.00 2.96 H new ATOM 0 HE2 LYS B 57 23.157 16.434 1.892 1.00 4.87 H new ATOM 0 HE3 LYS B 57 23.851 17.269 0.517 1.00 4.87 H new ATOM 0 HZ1 LYS B 57 24.952 15.173 0.959 1.00 6.16 H new ATOM 0 HZ2 LYS B 57 26.030 16.472 1.145 1.00 6.16 H new ATOM 0 HZ3 LYS B 57 25.389 15.699 2.513 1.00 6.16 H new ATOM 2434 N SER B 58 20.581 16.834 2.395 1.00 0.95 N ATOM 2435 CA SER B 58 20.013 16.936 1.047 1.00 1.09 C ATOM 2436 C SER B 58 18.610 17.547 0.987 1.00 1.07 C ATOM 2437 O SER B 58 18.247 18.075 -0.065 1.00 1.29 O ATOM 2438 CB SER B 58 20.103 15.590 0.327 1.00 1.29 C ATOM 2439 OG SER B 58 21.476 15.261 0.168 1.00 2.56 O ATOM 0 H SER B 58 20.515 15.894 2.785 1.00 0.95 H new ATOM 0 HA SER B 58 20.629 17.658 0.511 1.00 1.09 H new ATOM 0 HB2 SER B 58 19.591 14.817 0.901 1.00 1.29 H new ATOM 0 HB3 SER B 58 19.611 15.645 -0.644 1.00 1.29 H new ATOM 0 HG SER B 58 21.818 14.872 1.000 1.00 2.56 H new ATOM 2445 N LEU B 59 17.863 17.587 2.100 1.00 0.95 N ATOM 2446 CA LEU B 59 16.655 18.414 2.206 1.00 1.09 C ATOM 2447 C LEU B 59 17.058 19.889 2.261 1.00 1.18 C ATOM 2448 O LEU B 59 16.530 20.733 1.538 1.00 1.45 O ATOM 2449 CB LEU B 59 15.859 18.020 3.469 1.00 1.10 C ATOM 2450 CG LEU B 59 15.277 16.595 3.489 1.00 1.05 C ATOM 2451 CD1 LEU B 59 14.457 16.406 4.772 1.00 1.14 C ATOM 2452 CD2 LEU B 59 14.409 16.306 2.254 1.00 1.13 C ATOM 0 H LEU B 59 18.077 17.053 2.942 1.00 0.95 H new ATOM 0 HA LEU B 59 16.019 18.252 1.335 1.00 1.09 H new ATOM 0 HB2 LEU B 59 16.511 18.136 4.335 1.00 1.10 H new ATOM 0 HB3 LEU B 59 15.038 18.727 3.591 1.00 1.10 H new ATOM 0 HG LEU B 59 16.106 15.888 3.466 1.00 1.05 H new ATOM 0 HD11 LEU B 59 14.041 15.399 4.793 1.00 1.14 H new ATOM 0 HD12 LEU B 59 15.100 16.551 5.640 1.00 1.14 H new ATOM 0 HD13 LEU B 59 13.646 17.134 4.796 1.00 1.14 H new ATOM 0 HD21 LEU B 59 14.020 15.289 2.312 1.00 1.13 H new ATOM 0 HD22 LEU B 59 13.578 17.011 2.220 1.00 1.13 H new ATOM 0 HD23 LEU B 59 15.012 16.413 1.352 1.00 1.13 H new ATOM 2464 N ASP B 60 18.068 20.166 3.078 1.00 1.07 N ATOM 2465 CA ASP B 60 18.701 21.468 3.265 1.00 1.21 C ATOM 2466 C ASP B 60 19.516 21.978 2.042 1.00 1.26 C ATOM 2467 O ASP B 60 20.213 22.983 2.133 1.00 1.58 O ATOM 2468 CB ASP B 60 19.497 21.426 4.586 1.00 1.23 C ATOM 2469 CG ASP B 60 18.890 22.296 5.708 1.00 1.71 C ATOM 2470 OD1 ASP B 60 18.312 23.370 5.432 1.00 2.63 O ATOM 2471 OD2 ASP B 60 18.958 21.834 6.868 1.00 2.48 O ATOM 0 H ASP B 60 18.492 19.446 3.662 1.00 1.07 H new ATOM 0 HA ASP B 60 17.923 22.227 3.340 1.00 1.21 H new ATOM 0 HB2 ASP B 60 19.556 20.394 4.931 1.00 1.23 H new ATOM 0 HB3 ASP B 60 20.518 21.757 4.395 1.00 1.23 H new ATOM 2476 N LYS B 61 19.409 21.334 0.871 1.00 1.22 N ATOM 2477 CA LYS B 61 19.954 21.841 -0.405 1.00 1.33 C ATOM 2478 C LYS B 61 19.238 23.076 -0.988 1.00 1.39 C ATOM 2479 O LYS B 61 19.850 23.819 -1.750 1.00 1.65 O ATOM 2480 CB LYS B 61 19.952 20.720 -1.428 1.00 1.43 C ATOM 2481 CG LYS B 61 21.226 19.883 -1.243 1.00 1.75 C ATOM 2482 CD LYS B 61 21.253 18.706 -2.214 1.00 2.68 C ATOM 2483 CE LYS B 61 21.100 19.181 -3.665 1.00 3.78 C ATOM 2484 NZ LYS B 61 22.262 19.973 -4.142 1.00 4.62 N ATOM 0 H LYS B 61 18.936 20.435 0.778 1.00 1.22 H new ATOM 0 HA LYS B 61 20.964 22.181 -0.177 1.00 1.33 H new ATOM 0 HB2 LYS B 61 19.068 20.095 -1.302 1.00 1.43 H new ATOM 0 HB3 LYS B 61 19.912 21.130 -2.437 1.00 1.43 H new ATOM 0 HG2 LYS B 61 22.103 20.510 -1.401 1.00 1.75 H new ATOM 0 HG3 LYS B 61 21.278 19.515 -0.218 1.00 1.75 H new ATOM 0 HD2 LYS B 61 22.191 18.161 -2.104 1.00 2.68 H new ATOM 0 HD3 LYS B 61 20.450 18.011 -1.969 1.00 2.68 H new ATOM 0 HE2 LYS B 61 20.967 18.315 -4.313 1.00 3.78 H new ATOM 0 HE3 LYS B 61 20.196 19.784 -3.751 1.00 3.78 H new ATOM 0 HZ1 LYS B 61 22.102 20.266 -5.127 1.00 4.62 H new ATOM 0 HZ2 LYS B 61 22.376 20.816 -3.544 1.00 4.62 H new ATOM 0 HZ3 LYS B 61 23.123 19.392 -4.089 1.00 4.62 H new ATOM 2498 N ASN B 62 17.947 23.234 -0.698 1.00 1.31 N ATOM 2499 CA ASN B 62 17.084 24.323 -1.199 1.00 1.55 C ATOM 2500 C ASN B 62 15.908 24.622 -0.252 1.00 1.59 C ATOM 2501 O ASN B 62 15.351 25.714 -0.282 1.00 2.31 O ATOM 2502 CB ASN B 62 16.524 23.976 -2.586 1.00 1.97 C ATOM 2503 CG ASN B 62 17.492 24.212 -3.737 1.00 2.38 C ATOM 2504 OD1 ASN B 62 17.917 23.286 -4.415 1.00 2.60 O ATOM 2505 ND2 ASN B 62 17.825 25.463 -4.006 1.00 3.12 N ATOM 0 H ASN B 62 17.448 22.588 -0.086 1.00 1.31 H new ATOM 0 HA ASN B 62 17.713 25.211 -1.258 1.00 1.55 H new ATOM 0 HB2 ASN B 62 16.223 22.928 -2.590 1.00 1.97 H new ATOM 0 HB3 ASN B 62 15.624 24.567 -2.758 1.00 1.97 H new ATOM 0 HD21 ASN B 62 18.445 25.668 -4.789 1.00 3.12 H new ATOM 0 HD22 ASN B 62 17.461 26.223 -3.430 1.00 3.12 H new ATOM 2512 N SER B 63 15.536 23.646 0.582 1.00 1.42 N ATOM 2513 CA SER B 63 15.507 23.778 2.050 1.00 1.35 C ATOM 2514 C SER B 63 14.301 24.465 2.683 1.00 1.11 C ATOM 2515 O SER B 63 13.776 23.959 3.672 1.00 1.39 O ATOM 2516 CB SER B 63 16.795 24.414 2.579 1.00 1.85 C ATOM 2517 OG SER B 63 17.036 25.756 2.199 1.00 2.34 O ATOM 0 H SER B 63 15.241 22.726 0.255 1.00 1.42 H new ATOM 0 HA SER B 63 15.413 22.739 2.365 1.00 1.35 H new ATOM 0 HB2 SER B 63 16.778 24.365 3.668 1.00 1.85 H new ATOM 0 HB3 SER B 63 17.637 23.808 2.246 1.00 1.85 H new ATOM 0 HG SER B 63 16.415 26.347 2.674 1.00 2.34 H new ATOM 2523 N ASP B 64 13.844 25.582 2.129 1.00 0.94 N ATOM 2524 CA ASP B 64 12.806 26.449 2.701 1.00 1.13 C ATOM 2525 C ASP B 64 11.642 26.497 1.708 1.00 1.08 C ATOM 2526 O ASP B 64 10.990 27.507 1.468 1.00 1.62 O ATOM 2527 CB ASP B 64 13.418 27.809 3.075 1.00 1.58 C ATOM 2528 CG ASP B 64 14.505 27.634 4.144 1.00 2.67 C ATOM 2529 OD1 ASP B 64 15.640 27.247 3.770 1.00 3.40 O ATOM 2530 OD2 ASP B 64 14.217 27.801 5.349 1.00 3.48 O ATOM 0 H ASP B 64 14.196 25.927 1.236 1.00 0.94 H new ATOM 0 HA ASP B 64 12.400 26.066 3.637 1.00 1.13 H new ATOM 0 HB2 ASP B 64 13.844 28.279 2.188 1.00 1.58 H new ATOM 0 HB3 ASP B 64 12.639 28.475 3.446 1.00 1.58 H new ATOM 2535 N GLN B 65 11.454 25.343 1.070 1.00 0.93 N ATOM 2536 CA GLN B 65 10.428 25.020 0.104 1.00 0.88 C ATOM 2537 C GLN B 65 9.431 24.096 0.782 1.00 0.79 C ATOM 2538 O GLN B 65 9.851 23.272 1.602 1.00 0.78 O ATOM 2539 CB GLN B 65 11.070 24.195 -1.015 1.00 1.00 C ATOM 2540 CG GLN B 65 12.271 24.833 -1.730 1.00 1.51 C ATOM 2541 CD GLN B 65 13.051 23.773 -2.498 1.00 2.25 C ATOM 2542 OE1 GLN B 65 13.511 22.778 -1.957 1.00 3.10 O ATOM 2543 NE2 GLN B 65 13.214 23.903 -3.794 1.00 3.08 N ATOM 0 H GLN B 65 12.073 24.549 1.236 1.00 0.93 H new ATOM 0 HA GLN B 65 9.962 25.930 -0.274 1.00 0.88 H new ATOM 0 HB2 GLN B 65 11.389 23.241 -0.596 1.00 1.00 H new ATOM 0 HB3 GLN B 65 10.305 23.976 -1.760 1.00 1.00 H new ATOM 0 HG2 GLN B 65 11.926 25.608 -2.414 1.00 1.51 H new ATOM 0 HG3 GLN B 65 12.922 25.317 -1.002 1.00 1.51 H new ATOM 0 HE21 GLN B 65 12.842 24.722 -4.275 1.00 3.08 H new ATOM 0 HE22 GLN B 65 13.713 23.185 -4.320 1.00 3.08 H new ATOM 2552 N GLU B 66 8.158 24.158 0.392 1.00 0.97 N ATOM 2553 CA GLU B 66 7.192 23.141 0.788 1.00 0.89 C ATOM 2554 C GLU B 66 7.465 21.780 0.113 1.00 0.85 C ATOM 2555 O GLU B 66 8.044 21.700 -0.978 1.00 1.05 O ATOM 2556 CB GLU B 66 5.743 23.577 0.511 1.00 1.10 C ATOM 2557 CG GLU B 66 5.263 24.772 1.345 1.00 1.38 C ATOM 2558 CD GLU B 66 3.742 24.927 1.233 1.00 2.17 C ATOM 2559 OE1 GLU B 66 3.036 24.262 2.024 1.00 3.30 O ATOM 2560 OE2 GLU B 66 3.277 25.654 0.328 1.00 2.44 O ATOM 0 H GLU B 66 7.776 24.899 -0.195 1.00 0.97 H new ATOM 0 HA GLU B 66 7.316 23.021 1.864 1.00 0.89 H new ATOM 0 HB2 GLU B 66 5.649 23.827 -0.546 1.00 1.10 H new ATOM 0 HB3 GLU B 66 5.081 22.731 0.698 1.00 1.10 H new ATOM 0 HG2 GLU B 66 5.544 24.631 2.389 1.00 1.38 H new ATOM 0 HG3 GLU B 66 5.754 25.683 1.002 1.00 1.38 H new ATOM 2567 N ILE B 67 6.995 20.713 0.770 1.00 0.74 N ATOM 2568 CA ILE B 67 7.005 19.333 0.283 1.00 0.75 C ATOM 2569 C ILE B 67 5.723 18.580 0.630 1.00 0.66 C ATOM 2570 O ILE B 67 5.166 18.770 1.705 1.00 0.74 O ATOM 2571 CB ILE B 67 8.223 18.518 0.791 1.00 0.87 C ATOM 2572 CG1 ILE B 67 9.034 19.135 1.957 1.00 1.33 C ATOM 2573 CG2 ILE B 67 9.091 18.230 -0.426 1.00 2.30 C ATOM 2574 CD1 ILE B 67 10.329 18.384 2.274 1.00 1.30 C ATOM 0 H ILE B 67 6.579 20.794 1.698 1.00 0.74 H new ATOM 0 HA ILE B 67 7.080 19.425 -0.801 1.00 0.75 H new ATOM 0 HB ILE B 67 7.841 17.608 1.254 1.00 0.87 H new ATOM 0 HG12 ILE B 67 9.275 20.169 1.712 1.00 1.33 H new ATOM 0 HG13 ILE B 67 8.410 19.157 2.850 1.00 1.33 H new ATOM 0 HG21 ILE B 67 9.966 17.656 -0.121 1.00 2.30 H new ATOM 0 HG22 ILE B 67 8.517 17.658 -1.155 1.00 2.30 H new ATOM 0 HG23 ILE B 67 9.412 19.170 -0.874 1.00 2.30 H new ATOM 0 HD11 ILE B 67 10.841 18.875 3.101 1.00 1.30 H new ATOM 0 HD12 ILE B 67 10.095 17.356 2.551 1.00 1.30 H new ATOM 0 HD13 ILE B 67 10.974 18.385 1.396 1.00 1.30 H new ATOM 2586 N ASP B 68 5.321 17.692 -0.273 1.00 0.75 N ATOM 2587 CA ASP B 68 4.170 16.796 -0.167 1.00 0.78 C ATOM 2588 C ASP B 68 4.512 15.460 0.524 1.00 0.75 C ATOM 2589 O ASP B 68 5.653 14.979 0.546 1.00 1.03 O ATOM 2590 CB ASP B 68 3.597 16.571 -1.587 1.00 0.95 C ATOM 2591 CG ASP B 68 2.681 15.345 -1.731 1.00 1.45 C ATOM 2592 OD1 ASP B 68 1.565 15.331 -1.169 1.00 3.08 O ATOM 2593 OD2 ASP B 68 3.143 14.358 -2.341 1.00 1.62 O ATOM 0 H ASP B 68 5.820 17.569 -1.154 1.00 0.75 H new ATOM 0 HA ASP B 68 3.420 17.265 0.470 1.00 0.78 H new ATOM 0 HB2 ASP B 68 3.039 17.459 -1.882 1.00 0.95 H new ATOM 0 HB3 ASP B 68 4.427 16.469 -2.286 1.00 0.95 H new ATOM 2598 N PHE B 69 3.443 14.829 1.013 1.00 0.65 N ATOM 2599 CA PHE B 69 3.377 13.500 1.605 1.00 0.66 C ATOM 2600 C PHE B 69 4.139 12.391 0.841 1.00 0.68 C ATOM 2601 O PHE B 69 4.445 11.361 1.447 1.00 0.74 O ATOM 2602 CB PHE B 69 1.890 13.138 1.768 1.00 0.74 C ATOM 2603 CG PHE B 69 1.513 12.657 3.157 1.00 1.21 C ATOM 2604 CD1 PHE B 69 1.837 11.353 3.574 1.00 2.49 C ATOM 2605 CD2 PHE B 69 0.838 13.525 4.037 1.00 2.29 C ATOM 2606 CE1 PHE B 69 1.478 10.913 4.862 1.00 3.36 C ATOM 2607 CE2 PHE B 69 0.481 13.083 5.323 1.00 3.15 C ATOM 2608 CZ PHE B 69 0.805 11.781 5.735 1.00 3.35 C ATOM 0 H PHE B 69 2.526 15.276 1.002 1.00 0.65 H new ATOM 0 HA PHE B 69 3.894 13.548 2.563 1.00 0.66 H new ATOM 0 HB2 PHE B 69 1.286 14.012 1.523 1.00 0.74 H new ATOM 0 HB3 PHE B 69 1.636 12.362 1.046 1.00 0.74 H new ATOM 0 HD1 PHE B 69 2.362 10.688 2.904 1.00 2.49 H new ATOM 0 HD2 PHE B 69 0.595 14.530 3.724 1.00 2.29 H new ATOM 0 HE1 PHE B 69 1.720 9.909 5.178 1.00 3.36 H new ATOM 0 HE2 PHE B 69 -0.043 13.746 5.995 1.00 3.15 H new ATOM 0 HZ PHE B 69 0.536 11.447 6.726 1.00 3.35 H new ATOM 2618 N LYS B 70 4.483 12.524 -0.453 1.00 0.69 N ATOM 2619 CA LYS B 70 5.267 11.521 -1.193 1.00 0.71 C ATOM 2620 C LYS B 70 6.729 11.535 -0.774 1.00 0.62 C ATOM 2621 O LYS B 70 7.242 10.492 -0.368 1.00 0.61 O ATOM 2622 CB LYS B 70 5.189 11.773 -2.707 1.00 0.82 C ATOM 2623 CG LYS B 70 4.301 10.789 -3.460 1.00 1.22 C ATOM 2624 CD LYS B 70 2.847 10.853 -2.985 1.00 2.68 C ATOM 2625 CE LYS B 70 1.911 10.451 -4.124 1.00 3.84 C ATOM 2626 NZ LYS B 70 2.139 9.059 -4.597 1.00 5.05 N ATOM 0 H LYS B 70 4.223 13.334 -1.016 1.00 0.69 H new ATOM 0 HA LYS B 70 4.836 10.548 -0.957 1.00 0.71 H new ATOM 0 HB2 LYS B 70 4.818 12.784 -2.877 1.00 0.82 H new ATOM 0 HB3 LYS B 70 6.195 11.729 -3.124 1.00 0.82 H new ATOM 0 HG2 LYS B 70 4.344 11.005 -4.528 1.00 1.22 H new ATOM 0 HG3 LYS B 70 4.683 9.777 -3.324 1.00 1.22 H new ATOM 0 HD2 LYS B 70 2.704 10.188 -2.133 1.00 2.68 H new ATOM 0 HD3 LYS B 70 2.610 11.861 -2.646 1.00 2.68 H new ATOM 0 HE2 LYS B 70 0.878 10.552 -3.791 1.00 3.84 H new ATOM 0 HE3 LYS B 70 2.046 11.139 -4.958 1.00 3.84 H new ATOM 0 HZ1 LYS B 70 1.412 8.807 -5.297 1.00 5.05 H new ATOM 0 HZ2 LYS B 70 3.080 8.991 -5.035 1.00 5.05 H new ATOM 0 HZ3 LYS B 70 2.084 8.405 -3.790 1.00 5.05 H new ATOM 2640 N GLU B 71 7.365 12.715 -0.849 1.00 0.61 N ATOM 2641 CA GLU B 71 8.721 12.933 -0.334 1.00 0.56 C ATOM 2642 C GLU B 71 8.789 12.449 1.111 1.00 0.55 C ATOM 2643 O GLU B 71 9.697 11.723 1.498 1.00 0.64 O ATOM 2644 CB GLU B 71 9.115 14.422 -0.393 1.00 0.64 C ATOM 2645 CG GLU B 71 9.294 14.947 -1.833 1.00 0.83 C ATOM 2646 CD GLU B 71 10.555 15.820 -2.014 1.00 1.50 C ATOM 2647 OE1 GLU B 71 11.591 15.571 -1.361 1.00 2.45 O ATOM 2648 OE2 GLU B 71 10.499 16.839 -2.740 1.00 2.52 O ATOM 0 H GLU B 71 6.949 13.546 -1.270 1.00 0.61 H new ATOM 0 HA GLU B 71 9.419 12.374 -0.958 1.00 0.56 H new ATOM 0 HB2 GLU B 71 8.350 15.014 0.110 1.00 0.64 H new ATOM 0 HB3 GLU B 71 10.044 14.567 0.158 1.00 0.64 H new ATOM 0 HG2 GLU B 71 9.346 14.100 -2.517 1.00 0.83 H new ATOM 0 HG3 GLU B 71 8.415 15.528 -2.112 1.00 0.83 H new ATOM 2655 N TYR B 72 7.746 12.748 1.879 1.00 0.54 N ATOM 2656 CA TYR B 72 7.685 12.402 3.296 1.00 0.54 C ATOM 2657 C TYR B 72 7.660 10.885 3.527 1.00 0.53 C ATOM 2658 O TYR B 72 8.512 10.330 4.224 1.00 0.54 O ATOM 2659 CB TYR B 72 6.430 13.068 3.870 1.00 0.60 C ATOM 2660 CG TYR B 72 6.223 12.820 5.342 1.00 0.61 C ATOM 2661 CD1 TYR B 72 7.253 13.200 6.207 1.00 1.86 C ATOM 2662 CD2 TYR B 72 5.047 12.235 5.857 1.00 1.42 C ATOM 2663 CE1 TYR B 72 7.094 13.094 7.590 1.00 2.21 C ATOM 2664 CE2 TYR B 72 4.892 12.079 7.253 1.00 1.34 C ATOM 2665 CZ TYR B 72 5.905 12.555 8.118 1.00 1.25 C ATOM 2666 OH TYR B 72 5.775 12.549 9.463 1.00 1.70 O ATOM 0 H TYR B 72 6.919 13.237 1.537 1.00 0.54 H new ATOM 0 HA TYR B 72 8.583 12.760 3.800 1.00 0.54 H new ATOM 0 HB2 TYR B 72 6.491 14.143 3.698 1.00 0.60 H new ATOM 0 HB3 TYR B 72 5.558 12.707 3.325 1.00 0.60 H new ATOM 0 HD1 TYR B 72 8.180 13.579 5.802 1.00 1.86 H new ATOM 0 HD2 TYR B 72 4.267 11.907 5.186 1.00 1.42 H new ATOM 0 HE1 TYR B 72 7.880 13.424 8.253 1.00 2.21 H new ATOM 0 HE2 TYR B 72 4.010 11.602 7.655 1.00 1.34 H new ATOM 0 HH TYR B 72 5.247 11.770 9.737 1.00 1.70 H new ATOM 2676 N SER B 73 6.688 10.201 2.923 1.00 0.57 N ATOM 2677 CA SER B 73 6.509 8.755 3.037 1.00 0.64 C ATOM 2678 C SER B 73 7.694 7.973 2.472 1.00 0.65 C ATOM 2679 O SER B 73 8.141 7.032 3.132 1.00 0.66 O ATOM 2680 CB SER B 73 5.207 8.345 2.343 1.00 0.72 C ATOM 2681 OG SER B 73 5.166 8.823 1.010 1.00 1.54 O ATOM 0 H SER B 73 5.989 10.647 2.329 1.00 0.57 H new ATOM 0 HA SER B 73 6.453 8.508 4.097 1.00 0.64 H new ATOM 0 HB2 SER B 73 5.116 7.259 2.346 1.00 0.72 H new ATOM 0 HB3 SER B 73 4.356 8.737 2.899 1.00 0.72 H new ATOM 0 HG SER B 73 4.631 9.644 0.973 1.00 1.54 H new ATOM 2687 N VAL B 74 8.266 8.362 1.320 1.00 0.66 N ATOM 2688 CA VAL B 74 9.462 7.683 0.805 1.00 0.71 C ATOM 2689 C VAL B 74 10.694 7.937 1.663 1.00 0.68 C ATOM 2690 O VAL B 74 11.510 7.033 1.757 1.00 0.72 O ATOM 2691 CB VAL B 74 9.817 7.974 -0.663 1.00 0.77 C ATOM 2692 CG1 VAL B 74 8.655 7.600 -1.582 1.00 0.84 C ATOM 2693 CG2 VAL B 74 10.362 9.377 -0.975 1.00 0.70 C ATOM 0 H VAL B 74 7.926 9.128 0.739 1.00 0.66 H new ATOM 0 HA VAL B 74 9.173 6.633 0.857 1.00 0.71 H new ATOM 0 HB VAL B 74 10.673 7.330 -0.865 1.00 0.77 H new ATOM 0 HG11 VAL B 74 8.926 7.813 -2.616 1.00 0.84 H new ATOM 0 HG12 VAL B 74 8.435 6.538 -1.476 1.00 0.84 H new ATOM 0 HG13 VAL B 74 7.774 8.182 -1.310 1.00 0.84 H new ATOM 0 HG21 VAL B 74 10.574 9.456 -2.041 1.00 0.70 H new ATOM 0 HG22 VAL B 74 9.621 10.126 -0.696 1.00 0.70 H new ATOM 0 HG23 VAL B 74 11.279 9.545 -0.410 1.00 0.70 H new ATOM 2703 N PHE B 75 10.829 9.109 2.294 1.00 0.63 N ATOM 2704 CA PHE B 75 11.947 9.415 3.185 1.00 0.61 C ATOM 2705 C PHE B 75 11.845 8.588 4.469 1.00 0.60 C ATOM 2706 O PHE B 75 12.792 7.873 4.769 1.00 0.68 O ATOM 2707 CB PHE B 75 11.980 10.932 3.451 1.00 0.59 C ATOM 2708 CG PHE B 75 13.265 11.476 4.035 1.00 0.57 C ATOM 2709 CD1 PHE B 75 13.609 11.235 5.376 1.00 1.59 C ATOM 2710 CD2 PHE B 75 14.100 12.277 3.233 1.00 1.81 C ATOM 2711 CE1 PHE B 75 14.800 11.767 5.903 1.00 1.57 C ATOM 2712 CE2 PHE B 75 15.268 12.841 3.770 1.00 1.87 C ATOM 2713 CZ PHE B 75 15.621 12.585 5.104 1.00 0.69 C ATOM 0 H PHE B 75 10.161 9.874 2.198 1.00 0.63 H new ATOM 0 HA PHE B 75 12.892 9.141 2.716 1.00 0.61 H new ATOM 0 HB2 PHE B 75 11.783 11.450 2.512 1.00 0.59 H new ATOM 0 HB3 PHE B 75 11.163 11.180 4.129 1.00 0.59 H new ATOM 0 HD1 PHE B 75 12.959 10.641 6.002 1.00 1.59 H new ATOM 0 HD2 PHE B 75 13.841 12.458 2.200 1.00 1.81 H new ATOM 0 HE1 PHE B 75 15.085 11.548 6.921 1.00 1.57 H new ATOM 0 HE2 PHE B 75 15.895 13.472 3.157 1.00 1.87 H new ATOM 0 HZ PHE B 75 16.521 13.015 5.517 1.00 0.69 H new ATOM 2723 N LEU B 76 10.698 8.581 5.164 1.00 0.57 N ATOM 2724 CA LEU B 76 10.460 7.749 6.360 1.00 0.59 C ATOM 2725 C LEU B 76 10.670 6.252 6.092 1.00 0.66 C ATOM 2726 O LEU B 76 11.371 5.578 6.852 1.00 0.67 O ATOM 2727 CB LEU B 76 9.025 7.977 6.869 1.00 0.64 C ATOM 2728 CG LEU B 76 8.772 9.319 7.584 1.00 0.68 C ATOM 2729 CD1 LEU B 76 7.278 9.391 7.916 1.00 1.24 C ATOM 2730 CD2 LEU B 76 9.592 9.453 8.877 1.00 1.01 C ATOM 0 H LEU B 76 9.897 9.160 4.910 1.00 0.57 H new ATOM 0 HA LEU B 76 11.189 8.052 7.112 1.00 0.59 H new ATOM 0 HB2 LEU B 76 8.343 7.904 6.022 1.00 0.64 H new ATOM 0 HB3 LEU B 76 8.770 7.168 7.554 1.00 0.64 H new ATOM 0 HG LEU B 76 9.079 10.133 6.927 1.00 0.68 H new ATOM 0 HD11 LEU B 76 7.063 10.331 8.424 1.00 1.24 H new ATOM 0 HD12 LEU B 76 6.698 9.336 6.995 1.00 1.24 H new ATOM 0 HD13 LEU B 76 7.009 8.558 8.565 1.00 1.24 H new ATOM 0 HD21 LEU B 76 9.380 10.415 9.344 1.00 1.01 H new ATOM 0 HD22 LEU B 76 9.324 8.649 9.563 1.00 1.01 H new ATOM 0 HD23 LEU B 76 10.655 9.390 8.642 1.00 1.01 H new ATOM 2742 N THR B 77 10.111 5.754 4.979 1.00 0.74 N ATOM 2743 CA THR B 77 10.273 4.366 4.506 1.00 0.83 C ATOM 2744 C THR B 77 11.740 4.063 4.210 1.00 0.86 C ATOM 2745 O THR B 77 12.279 3.067 4.688 1.00 0.90 O ATOM 2746 CB THR B 77 9.407 4.118 3.262 1.00 0.88 C ATOM 2747 OG1 THR B 77 8.073 4.458 3.545 1.00 0.89 O ATOM 2748 CG2 THR B 77 9.424 2.651 2.836 1.00 1.18 C ATOM 0 H THR B 77 9.520 6.316 4.367 1.00 0.74 H new ATOM 0 HA THR B 77 9.941 3.694 5.297 1.00 0.83 H new ATOM 0 HB THR B 77 9.818 4.729 2.458 1.00 0.88 H new ATOM 0 HG1 THR B 77 7.992 5.432 3.618 1.00 0.89 H new ATOM 0 HG21 THR B 77 8.799 2.521 1.953 1.00 1.18 H new ATOM 0 HG22 THR B 77 10.446 2.351 2.604 1.00 1.18 H new ATOM 0 HG23 THR B 77 9.040 2.032 3.647 1.00 1.18 H new ATOM 2756 N MET B 78 12.397 4.942 3.451 1.00 0.86 N ATOM 2757 CA MET B 78 13.820 4.842 3.123 1.00 0.92 C ATOM 2758 C MET B 78 14.695 4.862 4.373 1.00 0.86 C ATOM 2759 O MET B 78 15.654 4.110 4.408 1.00 0.90 O ATOM 2760 CB MET B 78 14.183 5.975 2.154 1.00 0.94 C ATOM 2761 CG MET B 78 15.646 6.051 1.740 1.00 1.07 C ATOM 2762 SD MET B 78 15.896 6.969 0.194 1.00 1.26 S ATOM 2763 CE MET B 78 15.194 8.577 0.657 1.00 1.11 C ATOM 0 H MET B 78 11.946 5.759 3.039 1.00 0.86 H new ATOM 0 HA MET B 78 14.010 3.883 2.641 1.00 0.92 H new ATOM 0 HB2 MET B 78 13.576 5.867 1.255 1.00 0.94 H new ATOM 0 HB3 MET B 78 13.906 6.923 2.614 1.00 0.94 H new ATOM 0 HG2 MET B 78 16.219 6.527 2.536 1.00 1.07 H new ATOM 0 HG3 MET B 78 16.039 5.041 1.624 1.00 1.07 H new ATOM 0 HE1 MET B 78 15.791 9.375 0.216 1.00 1.11 H new ATOM 0 HE2 MET B 78 14.170 8.646 0.291 1.00 1.11 H new ATOM 0 HE3 MET B 78 15.199 8.677 1.742 1.00 1.11 H new ATOM 2773 N LEU B 79 14.358 5.662 5.386 1.00 0.79 N ATOM 2774 CA LEU B 79 15.107 5.760 6.642 1.00 0.75 C ATOM 2775 C LEU B 79 15.087 4.446 7.415 1.00 0.67 C ATOM 2776 O LEU B 79 16.141 3.940 7.791 1.00 0.73 O ATOM 2777 CB LEU B 79 14.551 6.914 7.506 1.00 0.83 C ATOM 2778 CG LEU B 79 15.640 7.782 8.151 1.00 0.96 C ATOM 2779 CD1 LEU B 79 16.631 6.928 8.950 1.00 1.32 C ATOM 2780 CD2 LEU B 79 16.352 8.616 7.078 1.00 2.18 C ATOM 0 H LEU B 79 13.541 6.272 5.357 1.00 0.79 H new ATOM 0 HA LEU B 79 16.147 5.974 6.396 1.00 0.75 H new ATOM 0 HB2 LEU B 79 13.915 7.546 6.886 1.00 0.83 H new ATOM 0 HB3 LEU B 79 13.919 6.497 8.290 1.00 0.83 H new ATOM 0 HG LEU B 79 15.167 8.465 8.857 1.00 0.96 H new ATOM 0 HD11 LEU B 79 17.390 7.572 9.395 1.00 1.32 H new ATOM 0 HD12 LEU B 79 16.099 6.396 9.739 1.00 1.32 H new ATOM 0 HD13 LEU B 79 17.109 6.208 8.286 1.00 1.32 H new ATOM 0 HD21 LEU B 79 17.123 9.229 7.545 1.00 2.18 H new ATOM 0 HD22 LEU B 79 16.811 7.952 6.346 1.00 2.18 H new ATOM 0 HD23 LEU B 79 15.629 9.261 6.579 1.00 2.18 H new ATOM 2792 N CYS B 80 13.897 3.873 7.597 1.00 0.67 N ATOM 2793 CA CYS B 80 13.701 2.570 8.229 1.00 0.71 C ATOM 2794 C CYS B 80 14.571 1.496 7.540 1.00 0.74 C ATOM 2795 O CYS B 80 15.452 0.890 8.148 1.00 0.89 O ATOM 2796 CB CYS B 80 12.187 2.299 8.182 1.00 0.76 C ATOM 2797 SG CYS B 80 11.748 0.972 9.333 1.00 0.99 S ATOM 0 H CYS B 80 13.025 4.312 7.303 1.00 0.67 H new ATOM 0 HA CYS B 80 14.028 2.547 9.268 1.00 0.71 H new ATOM 0 HB2 CYS B 80 11.640 3.207 8.438 1.00 0.76 H new ATOM 0 HB3 CYS B 80 11.892 2.024 7.170 1.00 0.76 H new ATOM 0 HG CYS B 80 10.467 0.759 9.281 1.00 0.99 H new ATOM 2803 N MET B 81 14.407 1.331 6.226 1.00 0.85 N ATOM 2804 CA MET B 81 15.152 0.337 5.447 1.00 0.96 C ATOM 2805 C MET B 81 16.646 0.665 5.334 1.00 0.95 C ATOM 2806 O MET B 81 17.439 -0.265 5.219 1.00 1.04 O ATOM 2807 CB MET B 81 14.472 0.130 4.085 1.00 1.27 C ATOM 2808 CG MET B 81 13.510 -1.065 4.126 1.00 2.78 C ATOM 2809 SD MET B 81 12.293 -1.138 5.469 1.00 5.25 S ATOM 2810 CE MET B 81 11.501 -2.706 5.027 1.00 6.39 C ATOM 0 H MET B 81 13.753 1.883 5.670 1.00 0.85 H new ATOM 0 HA MET B 81 15.123 -0.611 5.984 1.00 0.96 H new ATOM 0 HB2 MET B 81 13.926 1.031 3.806 1.00 1.27 H new ATOM 0 HB3 MET B 81 15.229 -0.034 3.318 1.00 1.27 H new ATOM 0 HG2 MET B 81 12.966 -1.087 3.182 1.00 2.78 H new ATOM 0 HG3 MET B 81 14.110 -1.974 4.170 1.00 2.78 H new ATOM 0 HE1 MET B 81 11.166 -3.212 5.932 1.00 6.39 H new ATOM 0 HE2 MET B 81 10.644 -2.512 4.382 1.00 6.39 H new ATOM 0 HE3 MET B 81 12.216 -3.339 4.501 1.00 6.39 H new ATOM 2820 N ALA B 82 17.053 1.937 5.436 1.00 1.05 N ATOM 2821 CA ALA B 82 18.462 2.324 5.454 1.00 1.28 C ATOM 2822 C ALA B 82 19.222 1.790 6.678 1.00 1.28 C ATOM 2823 O ALA B 82 20.394 1.438 6.558 1.00 1.70 O ATOM 2824 CB ALA B 82 18.601 3.849 5.343 1.00 1.44 C ATOM 0 H ALA B 82 16.410 2.725 5.508 1.00 1.05 H new ATOM 0 HA ALA B 82 18.925 1.859 4.584 1.00 1.28 H new ATOM 0 HB1 ALA B 82 19.657 4.120 5.358 1.00 1.44 H new ATOM 0 HB2 ALA B 82 18.152 4.188 4.409 1.00 1.44 H new ATOM 0 HB3 ALA B 82 18.093 4.323 6.183 1.00 1.44 H new ATOM 2830 N TYR B 83 18.566 1.691 7.841 1.00 1.22 N ATOM 2831 CA TYR B 83 19.176 1.115 9.043 1.00 1.40 C ATOM 2832 C TYR B 83 18.804 -0.349 9.327 1.00 1.53 C ATOM 2833 O TYR B 83 19.342 -0.919 10.277 1.00 2.00 O ATOM 2834 CB TYR B 83 18.931 2.028 10.257 1.00 1.39 C ATOM 2835 CG TYR B 83 17.511 2.328 10.717 1.00 1.19 C ATOM 2836 CD1 TYR B 83 16.587 1.300 11.012 1.00 2.08 C ATOM 2837 CD2 TYR B 83 17.146 3.662 10.964 1.00 2.32 C ATOM 2838 CE1 TYR B 83 15.305 1.609 11.502 1.00 2.44 C ATOM 2839 CE2 TYR B 83 15.873 3.980 11.468 1.00 2.11 C ATOM 2840 CZ TYR B 83 14.942 2.952 11.735 1.00 1.44 C ATOM 2841 OH TYR B 83 13.699 3.247 12.198 1.00 1.78 O ATOM 0 H TYR B 83 17.605 2.006 7.974 1.00 1.22 H new ATOM 0 HA TYR B 83 20.246 1.071 8.842 1.00 1.40 H new ATOM 0 HB2 TYR B 83 19.459 1.588 11.103 1.00 1.39 H new ATOM 0 HB3 TYR B 83 19.410 2.984 10.044 1.00 1.39 H new ATOM 0 HD1 TYR B 83 16.868 0.268 10.860 1.00 2.08 H new ATOM 0 HD2 TYR B 83 17.853 4.454 10.764 1.00 2.32 H new ATOM 0 HE1 TYR B 83 14.598 0.817 11.700 1.00 2.44 H new ATOM 0 HE2 TYR B 83 15.607 5.011 11.651 1.00 2.11 H new ATOM 0 HH TYR B 83 13.370 2.505 12.747 1.00 1.78 H new ATOM 2851 N ASN B 84 17.882 -0.968 8.583 1.00 1.43 N ATOM 2852 CA ASN B 84 17.346 -2.289 8.936 1.00 1.61 C ATOM 2853 C ASN B 84 18.275 -3.476 8.632 1.00 1.85 C ATOM 2854 O ASN B 84 19.214 -3.413 7.841 1.00 3.18 O ATOM 2855 CB ASN B 84 15.940 -2.488 8.341 1.00 1.74 C ATOM 2856 CG ASN B 84 14.846 -1.845 9.191 1.00 2.05 C ATOM 2857 OD1 ASN B 84 14.971 -1.698 10.400 1.00 2.85 O ATOM 2858 ND2 ASN B 84 13.728 -1.499 8.585 1.00 2.41 N ATOM 0 H ASN B 84 17.489 -0.574 7.728 1.00 1.43 H new ATOM 0 HA ASN B 84 17.272 -2.287 10.023 1.00 1.61 H new ATOM 0 HB2 ASN B 84 15.911 -2.064 7.337 1.00 1.74 H new ATOM 0 HB3 ASN B 84 15.739 -3.555 8.243 1.00 1.74 H new ATOM 0 HD21 ASN B 84 12.957 -1.105 9.124 1.00 2.41 H new ATOM 0 HD22 ASN B 84 13.634 -1.626 7.577 1.00 2.41 H new ATOM 2865 N ASP B 85 17.990 -4.575 9.331 1.00 1.46 N ATOM 2866 CA ASP B 85 18.923 -5.656 9.644 1.00 1.71 C ATOM 2867 C ASP B 85 18.181 -6.974 9.930 1.00 1.85 C ATOM 2868 O ASP B 85 18.522 -7.998 9.345 1.00 2.19 O ATOM 2869 CB ASP B 85 19.818 -5.222 10.833 1.00 2.49 C ATOM 2870 CG ASP B 85 19.146 -4.397 11.955 1.00 3.53 C ATOM 2871 OD1 ASP B 85 17.898 -4.365 12.059 1.00 4.38 O ATOM 2872 OD2 ASP B 85 19.880 -3.678 12.672 1.00 4.40 O ATOM 0 H ASP B 85 17.059 -4.743 9.712 1.00 1.46 H new ATOM 0 HA ASP B 85 19.559 -5.847 8.779 1.00 1.71 H new ATOM 0 HB2 ASP B 85 20.244 -6.120 11.282 1.00 2.49 H new ATOM 0 HB3 ASP B 85 20.649 -4.639 10.436 1.00 2.49 H new