USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 845 hydrogens (30 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD Set 1.1: A 76 SER OG : rot 63:sc= 0.347 USER MOD Set 1.2: A 400 HEM CMB :methyl -30:sc= -0.0851 (180deg=-0.0457) USER MOD Set 2.1: A 54 GLN : amide:sc= 0.563 K(o=0.51,f=-1.2) USER MOD Set 2.2: A 62 ASN : amide:sc= -0.0498 K(o=0.51,f=-0.64!) USER MOD Set 3.1: A 26 THR OG1 : rot -23:sc= 0.662 USER MOD Set 3.2: A 38 THR OG1 : rot -39:sc= 0.773 USER MOD Set 4.1: A 7 LYS NZ :NH3+ -157:sc= 0.817 (180deg=0.111) USER MOD Set 4.2: A 78 THR OG1 : rot 180:sc= 0.72 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.00218 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0319) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= -0.457 (180deg=-1.39) USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= -0.131 (180deg=-0.642) USER MOD Single : A 20 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.2!) USER MOD Single : A 21 ASN : amide:sc= 0.322 K(o=0.32,f=-4.3!) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0739 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.365 USER MOD Single : A 31 HIS : no HD1:sc= 0.0182 K(o=0.018,f=-3.9!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 96:sc= 1.93 USER MOD Single : A 69 SER OG : rot 107:sc= 0.986 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HE2:sc= -0.04 K(o=-0.04,f=-4.9!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.919) USER MOD Single : A 96 MET CE :methyl 166:sc= -0.0512 (180deg=-0.395) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0905 USER MOD Single : A 400 HEM CMA :methyl 150:sc= -0.0452 (180deg=-0.0452) USER MOD Single : A 400 HEM CMC :methyl -30:sc= -0.533 (180deg=-3.48!) USER MOD Single : A 400 HEM CMD :methyl 150:sc= -0.286 (180deg=-0.286) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.981 -13.761 17.451 1.00 1.40 N ATOM 2 CA MET A 1 20.464 -12.435 17.843 1.00 1.19 C ATOM 3 C MET A 1 19.364 -12.007 16.881 1.00 1.07 C ATOM 4 O MET A 1 18.803 -12.842 16.170 1.00 1.47 O ATOM 5 CB MET A 1 21.599 -11.409 17.863 1.00 1.39 C ATOM 6 CG MET A 1 22.021 -11.002 19.266 1.00 1.77 C ATOM 7 SD MET A 1 22.708 -12.376 20.214 1.00 2.23 S ATOM 8 CE MET A 1 24.394 -12.397 19.607 1.00 2.70 C ATOM 0 H1 MET A 1 21.986 -13.831 17.708 1.00 1.40 H new ATOM 0 H2 MET A 1 20.445 -14.503 17.945 1.00 1.40 H new ATOM 0 H3 MET A 1 20.877 -13.885 16.424 1.00 1.40 H new ATOM 0 HA MET A 1 20.044 -12.496 18.847 1.00 1.19 H new ATOM 0 HB2 MET A 1 22.461 -11.821 17.338 1.00 1.39 H new ATOM 0 HB3 MET A 1 21.286 -10.521 17.314 1.00 1.39 H new ATOM 0 HG2 MET A 1 22.761 -10.205 19.201 1.00 1.77 H new ATOM 0 HG3 MET A 1 21.160 -10.595 19.796 1.00 1.77 H new ATOM 0 HE1 MET A 1 24.948 -13.195 20.100 1.00 2.70 H new ATOM 0 HE2 MET A 1 24.391 -12.569 18.531 1.00 2.70 H new ATOM 0 HE3 MET A 1 24.869 -11.440 19.820 1.00 2.70 H new ATOM 20 N ALA A 2 19.048 -10.720 16.859 1.00 0.86 N ATOM 21 CA ALA A 2 18.006 -10.204 15.982 1.00 0.87 C ATOM 22 C ALA A 2 18.456 -10.207 14.525 1.00 0.72 C ATOM 23 O ALA A 2 19.184 -9.315 14.086 1.00 0.87 O ATOM 24 CB ALA A 2 17.606 -8.801 16.413 1.00 1.10 C ATOM 0 H ALA A 2 19.499 -10.013 17.439 1.00 0.86 H new ATOM 0 HA ALA A 2 17.139 -10.860 16.063 1.00 0.87 H new ATOM 0 HB1 ALA A 2 16.826 -8.425 15.750 1.00 1.10 H new ATOM 0 HB2 ALA A 2 17.231 -8.828 17.436 1.00 1.10 H new ATOM 0 HB3 ALA A 2 18.474 -8.143 16.362 1.00 1.10 H new ATOM 30 N ALA A 3 18.041 -11.228 13.789 1.00 0.71 N ATOM 31 CA ALA A 3 18.389 -11.348 12.381 1.00 0.72 C ATOM 32 C ALA A 3 17.387 -12.235 11.652 1.00 0.70 C ATOM 33 O ALA A 3 17.297 -13.435 11.924 1.00 1.05 O ATOM 34 CB ALA A 3 19.798 -11.905 12.229 1.00 0.96 C ATOM 0 H ALA A 3 17.461 -11.988 14.145 1.00 0.71 H new ATOM 0 HA ALA A 3 18.356 -10.354 11.934 1.00 0.72 H new ATOM 0 HB1 ALA A 3 20.044 -11.989 11.170 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.508 -11.236 12.714 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.852 -12.890 12.693 1.00 0.96 H new ATOM 40 N GLN A 4 16.631 -11.642 10.739 1.00 0.66 N ATOM 41 CA GLN A 4 15.639 -12.382 9.970 1.00 0.68 C ATOM 42 C GLN A 4 15.368 -11.696 8.636 1.00 0.66 C ATOM 43 O GLN A 4 15.187 -10.482 8.573 1.00 0.81 O ATOM 44 CB GLN A 4 14.331 -12.528 10.761 1.00 0.83 C ATOM 45 CG GLN A 4 13.709 -11.205 11.182 1.00 0.97 C ATOM 46 CD GLN A 4 12.197 -11.273 11.250 1.00 1.33 C ATOM 47 OE1 GLN A 4 11.622 -12.326 11.526 1.00 1.79 O ATOM 48 NE2 GLN A 4 11.542 -10.153 10.994 1.00 1.63 N ATOM 0 H GLN A 4 16.685 -10.649 10.512 1.00 0.66 H new ATOM 0 HA GLN A 4 16.041 -13.377 9.777 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.612 -13.079 10.155 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.522 -13.127 11.651 1.00 0.83 H new ATOM 0 HG2 GLN A 4 14.101 -10.916 12.157 1.00 0.97 H new ATOM 0 HG3 GLN A 4 14.004 -10.428 10.477 1.00 0.97 H new ATOM 0 HE21 GLN A 4 12.056 -9.301 10.769 1.00 1.63 H new ATOM 0 HE22 GLN A 4 10.522 -10.141 11.021 1.00 1.63 H new ATOM 57 N SER A 5 15.364 -12.480 7.572 1.00 0.71 N ATOM 58 CA SER A 5 15.099 -11.962 6.238 1.00 0.76 C ATOM 59 C SER A 5 13.969 -12.761 5.600 1.00 0.73 C ATOM 60 O SER A 5 13.908 -12.924 4.381 1.00 1.11 O ATOM 61 CB SER A 5 16.364 -12.041 5.380 1.00 0.98 C ATOM 62 OG SER A 5 17.481 -11.522 6.083 1.00 1.18 O ATOM 0 H SER A 5 15.542 -13.484 7.605 1.00 0.71 H new ATOM 0 HA SER A 5 14.799 -10.916 6.308 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.554 -13.077 5.099 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.218 -11.482 4.456 1.00 0.98 H new ATOM 0 HG SER A 5 18.280 -11.583 5.519 1.00 1.18 H new ATOM 68 N ASP A 6 13.086 -13.270 6.447 1.00 0.62 N ATOM 69 CA ASP A 6 11.948 -14.068 6.008 1.00 0.68 C ATOM 70 C ASP A 6 10.968 -13.220 5.208 1.00 0.58 C ATOM 71 O ASP A 6 10.326 -12.319 5.749 1.00 0.80 O ATOM 72 CB ASP A 6 11.235 -14.687 7.216 1.00 0.89 C ATOM 73 CG ASP A 6 12.135 -15.612 8.017 1.00 1.54 C ATOM 74 OD1 ASP A 6 13.211 -15.161 8.467 1.00 2.18 O ATOM 75 OD2 ASP A 6 11.773 -16.796 8.202 1.00 1.98 O ATOM 0 H ASP A 6 13.137 -13.142 7.458 1.00 0.62 H new ATOM 0 HA ASP A 6 12.321 -14.866 5.366 1.00 0.68 H new ATOM 0 HB2 ASP A 6 10.870 -13.891 7.865 1.00 0.89 H new ATOM 0 HB3 ASP A 6 10.363 -15.243 6.872 1.00 0.89 H new ATOM 80 N LYS A 7 10.861 -13.506 3.918 1.00 0.54 N ATOM 81 CA LYS A 7 9.957 -12.769 3.047 1.00 0.58 C ATOM 82 C LYS A 7 8.886 -13.697 2.481 1.00 0.53 C ATOM 83 O LYS A 7 9.188 -14.800 2.018 1.00 0.85 O ATOM 84 CB LYS A 7 10.726 -12.100 1.900 1.00 0.81 C ATOM 85 CG LYS A 7 11.745 -11.061 2.354 1.00 1.05 C ATOM 86 CD LYS A 7 11.080 -9.818 2.939 1.00 1.24 C ATOM 87 CE LYS A 7 12.082 -8.682 3.122 1.00 1.58 C ATOM 88 NZ LYS A 7 11.519 -7.549 3.911 1.00 1.91 N ATOM 0 H LYS A 7 11.389 -14.243 3.452 1.00 0.54 H new ATOM 0 HA LYS A 7 9.476 -11.993 3.642 1.00 0.58 H new ATOM 0 HB2 LYS A 7 11.240 -12.870 1.325 1.00 0.81 H new ATOM 0 HB3 LYS A 7 10.012 -11.623 1.228 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.404 -11.504 3.101 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.369 -10.773 1.508 1.00 1.05 H new ATOM 0 HD2 LYS A 7 10.274 -9.492 2.282 1.00 1.24 H new ATOM 0 HD3 LYS A 7 10.628 -10.064 3.900 1.00 1.24 H new ATOM 0 HE2 LYS A 7 12.972 -9.063 3.623 1.00 1.58 H new ATOM 0 HE3 LYS A 7 12.398 -8.319 2.144 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 12.044 -6.678 3.692 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 10.517 -7.420 3.666 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 11.603 -7.757 4.926 1.00 1.91 H new ATOM 102 N ASP A 8 7.639 -13.248 2.528 1.00 0.50 N ATOM 103 CA ASP A 8 6.513 -14.026 2.021 1.00 0.54 C ATOM 104 C ASP A 8 5.496 -13.085 1.382 1.00 0.51 C ATOM 105 O ASP A 8 5.742 -11.885 1.287 1.00 0.83 O ATOM 106 CB ASP A 8 5.852 -14.825 3.151 1.00 0.75 C ATOM 107 CG ASP A 8 5.245 -16.131 2.666 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.272 -16.095 1.879 1.00 1.72 O ATOM 109 OD2 ASP A 8 5.741 -17.207 3.064 1.00 1.44 O ATOM 0 H ASP A 8 7.379 -12.341 2.915 1.00 0.50 H new ATOM 0 HA ASP A 8 6.879 -14.731 1.275 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.593 -15.037 3.922 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.075 -14.217 3.614 1.00 0.75 H new ATOM 114 N VAL A 9 4.360 -13.622 0.964 1.00 0.39 N ATOM 115 CA VAL A 9 3.321 -12.819 0.339 1.00 0.35 C ATOM 116 C VAL A 9 1.966 -13.084 1.002 1.00 0.33 C ATOM 117 O VAL A 9 1.332 -14.117 0.781 1.00 0.44 O ATOM 118 CB VAL A 9 3.247 -13.075 -1.191 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.183 -14.566 -1.507 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.063 -12.345 -1.817 1.00 0.47 C ATOM 0 H VAL A 9 4.134 -14.613 1.047 1.00 0.39 H new ATOM 0 HA VAL A 9 3.578 -11.770 0.483 1.00 0.35 H new ATOM 0 HB VAL A 9 4.163 -12.678 -1.628 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.132 -14.707 -2.587 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.074 -15.059 -1.118 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.297 -14.999 -1.042 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.038 -12.544 -2.888 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.137 -12.696 -1.361 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.167 -11.273 -1.649 1.00 0.47 H new ATOM 130 N LYS A 10 1.539 -12.154 1.843 1.00 0.30 N ATOM 131 CA LYS A 10 0.269 -12.280 2.541 1.00 0.34 C ATOM 132 C LYS A 10 -0.877 -11.735 1.701 1.00 0.34 C ATOM 133 O LYS A 10 -0.899 -10.556 1.346 1.00 0.48 O ATOM 134 CB LYS A 10 0.327 -11.556 3.887 1.00 0.42 C ATOM 135 CG LYS A 10 0.993 -12.370 4.981 1.00 0.93 C ATOM 136 CD LYS A 10 1.020 -11.618 6.304 1.00 0.98 C ATOM 137 CE LYS A 10 1.120 -12.570 7.487 1.00 1.27 C ATOM 138 NZ LYS A 10 -0.178 -13.244 7.764 1.00 1.97 N ATOM 0 H LYS A 10 2.055 -11.301 2.059 1.00 0.30 H new ATOM 0 HA LYS A 10 0.087 -13.340 2.716 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.867 -10.617 3.763 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -0.686 -11.302 4.199 1.00 0.42 H new ATOM 0 HG2 LYS A 10 0.461 -13.313 5.109 1.00 0.93 H new ATOM 0 HG3 LYS A 10 2.012 -12.617 4.682 1.00 0.93 H new ATOM 0 HD2 LYS A 10 1.867 -10.932 6.316 1.00 0.98 H new ATOM 0 HD3 LYS A 10 0.118 -11.013 6.398 1.00 0.98 H new ATOM 0 HE2 LYS A 10 1.884 -13.321 7.286 1.00 1.27 H new ATOM 0 HE3 LYS A 10 1.440 -12.019 8.371 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -0.125 -13.736 8.679 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -0.938 -12.534 7.796 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -0.379 -13.933 7.011 1.00 1.97 H new ATOM 152 N TYR A 11 -1.826 -12.600 1.380 1.00 0.34 N ATOM 153 CA TYR A 11 -2.980 -12.207 0.586 1.00 0.35 C ATOM 154 C TYR A 11 -4.034 -11.566 1.479 1.00 0.33 C ATOM 155 O TYR A 11 -4.895 -12.248 2.039 1.00 0.39 O ATOM 156 CB TYR A 11 -3.563 -13.413 -0.155 1.00 0.43 C ATOM 157 CG TYR A 11 -3.070 -13.552 -1.579 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.712 -13.645 -1.863 1.00 0.85 C ATOM 159 CD2 TYR A 11 -3.966 -13.594 -2.641 1.00 0.81 C ATOM 160 CE1 TYR A 11 -1.263 -13.774 -3.165 1.00 0.96 C ATOM 161 CE2 TYR A 11 -3.525 -13.725 -3.941 1.00 0.95 C ATOM 162 CZ TYR A 11 -2.176 -13.815 -4.199 1.00 0.83 C ATOM 163 OH TYR A 11 -1.739 -13.943 -5.497 1.00 1.03 O ATOM 0 H TYR A 11 -1.820 -13.581 1.658 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.659 -11.477 -0.157 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.315 -14.320 0.396 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.650 -13.332 -0.163 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -0.997 -13.616 -1.054 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -5.026 -13.523 -2.445 1.00 0.81 H new ATOM 0 HE1 TYR A 11 -0.205 -13.842 -3.371 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -4.236 -13.757 -4.754 1.00 0.95 H new ATOM 0 HH TYR A 11 -2.510 -13.957 -6.102 1.00 1.03 H new ATOM 173 N TYR A 12 -3.954 -10.254 1.607 1.00 0.37 N ATOM 174 CA TYR A 12 -4.880 -9.504 2.443 1.00 0.41 C ATOM 175 C TYR A 12 -6.176 -9.198 1.703 1.00 0.42 C ATOM 176 O TYR A 12 -6.253 -9.312 0.478 1.00 0.45 O ATOM 177 CB TYR A 12 -4.235 -8.200 2.915 1.00 0.45 C ATOM 178 CG TYR A 12 -3.382 -8.350 4.153 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.963 -8.405 5.414 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.000 -8.435 4.063 1.00 0.70 C ATOM 181 CE1 TYR A 12 -3.187 -8.540 6.550 1.00 0.91 C ATOM 182 CE2 TYR A 12 -1.219 -8.571 5.194 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.818 -8.622 6.435 1.00 0.82 C ATOM 184 OH TYR A 12 -1.046 -8.764 7.563 1.00 1.02 O ATOM 0 H TYR A 12 -3.252 -9.680 1.140 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.118 -10.123 3.308 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -3.621 -7.798 2.109 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.019 -7.469 3.113 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -5.037 -8.341 5.508 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.527 -8.394 3.093 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -3.653 -8.581 7.523 1.00 0.91 H new ATOM 0 HE2 TYR A 12 -0.145 -8.637 5.107 1.00 0.82 H new ATOM 0 HH TYR A 12 -0.101 -8.808 7.309 1.00 1.02 H new ATOM 194 N THR A 13 -7.194 -8.817 2.460 1.00 0.47 N ATOM 195 CA THR A 13 -8.486 -8.476 1.898 1.00 0.51 C ATOM 196 C THR A 13 -8.538 -6.990 1.542 1.00 0.47 C ATOM 197 O THR A 13 -7.852 -6.171 2.162 1.00 0.46 O ATOM 198 CB THR A 13 -9.612 -8.820 2.891 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.045 -9.187 4.156 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.461 -9.968 2.371 1.00 0.86 C ATOM 0 H THR A 13 -7.145 -8.737 3.476 1.00 0.47 H new ATOM 0 HA THR A 13 -8.630 -9.060 0.989 1.00 0.51 H new ATOM 0 HB THR A 13 -10.245 -7.941 3.008 1.00 0.62 H new ATOM 0 HG1 THR A 13 -9.764 -9.404 4.786 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.249 -10.192 3.090 1.00 0.86 H new ATOM 0 HG22 THR A 13 -10.908 -9.687 1.418 1.00 0.86 H new ATOM 0 HG23 THR A 13 -9.835 -10.850 2.232 1.00 0.86 H new ATOM 208 N LEU A 14 -9.355 -6.649 0.550 1.00 0.50 N ATOM 209 CA LEU A 14 -9.483 -5.269 0.092 1.00 0.51 C ATOM 210 C LEU A 14 -10.050 -4.368 1.188 1.00 0.48 C ATOM 211 O LEU A 14 -9.637 -3.219 1.335 1.00 0.51 O ATOM 212 CB LEU A 14 -10.376 -5.212 -1.150 1.00 0.58 C ATOM 213 CG LEU A 14 -10.466 -3.845 -1.831 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.112 -3.422 -2.376 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.503 -3.874 -2.942 1.00 0.95 C ATOM 0 H LEU A 14 -9.942 -7.314 0.045 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.488 -4.903 -0.160 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.007 -5.937 -1.876 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.381 -5.526 -0.869 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.775 -3.112 -1.086 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.201 -2.447 -2.856 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.394 -3.360 -1.558 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -8.768 -4.155 -3.106 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.555 -2.894 -3.417 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.221 -4.622 -3.683 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.477 -4.127 -2.524 1.00 0.95 H new ATOM 227 N GLU A 15 -10.980 -4.893 1.970 1.00 0.50 N ATOM 228 CA GLU A 15 -11.588 -4.122 3.042 1.00 0.53 C ATOM 229 C GLU A 15 -10.674 -4.076 4.262 1.00 0.51 C ATOM 230 O GLU A 15 -10.816 -3.209 5.120 1.00 0.61 O ATOM 231 CB GLU A 15 -12.955 -4.710 3.421 1.00 0.61 C ATOM 232 CG GLU A 15 -12.873 -5.981 4.255 1.00 0.67 C ATOM 233 CD GLU A 15 -12.809 -7.242 3.418 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.098 -7.252 2.390 1.00 0.83 O ATOM 235 OE2 GLU A 15 -13.465 -8.237 3.797 1.00 1.05 O ATOM 0 H GLU A 15 -11.329 -5.847 1.883 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.735 -3.103 2.685 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.521 -3.960 3.975 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.513 -4.921 2.509 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -11.991 -5.932 4.894 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.741 -6.033 4.912 1.00 0.67 H new ATOM 242 N GLU A 16 -9.720 -4.996 4.317 1.00 0.46 N ATOM 243 CA GLU A 16 -8.793 -5.075 5.437 1.00 0.50 C ATOM 244 C GLU A 16 -7.685 -4.036 5.314 1.00 0.46 C ATOM 245 O GLU A 16 -7.350 -3.350 6.282 1.00 0.51 O ATOM 246 CB GLU A 16 -8.188 -6.476 5.525 1.00 0.58 C ATOM 247 CG GLU A 16 -7.499 -6.763 6.848 1.00 1.05 C ATOM 248 CD GLU A 16 -8.404 -6.508 8.033 1.00 1.60 C ATOM 249 OE1 GLU A 16 -9.112 -7.444 8.459 1.00 2.19 O ATOM 250 OE2 GLU A 16 -8.411 -5.367 8.541 1.00 2.32 O ATOM 0 H GLU A 16 -9.568 -5.701 3.595 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.353 -4.867 6.349 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -8.976 -7.213 5.369 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.469 -6.603 4.716 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -7.166 -7.801 6.864 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -6.608 -6.141 6.934 1.00 1.05 H new ATOM 257 N ILE A 17 -7.127 -3.904 4.116 1.00 0.42 N ATOM 258 CA ILE A 17 -6.046 -2.951 3.885 1.00 0.44 C ATOM 259 C ILE A 17 -6.522 -1.509 4.068 1.00 0.43 C ATOM 260 O ILE A 17 -5.746 -0.634 4.448 1.00 0.48 O ATOM 261 CB ILE A 17 -5.404 -3.129 2.488 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.459 -3.098 1.380 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.622 -4.433 2.430 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.648 -1.730 0.756 1.00 0.98 C ATOM 0 H ILE A 17 -7.403 -4.441 3.294 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.282 -3.161 4.634 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.722 -2.295 2.326 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -6.176 -3.807 0.602 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.412 -3.436 1.788 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -4.176 -4.546 1.442 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.835 -4.419 3.184 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.294 -5.269 2.622 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.411 -1.787 -0.021 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -6.962 -1.021 1.522 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.707 -1.397 0.317 1.00 0.98 H new ATOM 276 N LYS A 18 -7.805 -1.271 3.818 1.00 0.42 N ATOM 277 CA LYS A 18 -8.372 0.066 3.965 1.00 0.48 C ATOM 278 C LYS A 18 -8.971 0.247 5.354 1.00 0.50 C ATOM 279 O LYS A 18 -9.577 1.279 5.651 1.00 0.63 O ATOM 280 CB LYS A 18 -9.432 0.332 2.889 1.00 0.56 C ATOM 281 CG LYS A 18 -10.656 -0.567 2.978 1.00 0.53 C ATOM 282 CD LYS A 18 -11.908 0.207 3.376 1.00 0.87 C ATOM 283 CE LYS A 18 -12.500 0.984 2.205 1.00 1.05 C ATOM 284 NZ LYS A 18 -11.871 2.319 2.039 1.00 1.48 N ATOM 0 H LYS A 18 -8.470 -1.982 3.514 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.566 0.789 3.838 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.753 1.371 2.962 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.975 0.207 1.907 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.820 -1.051 2.015 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.472 -1.358 3.705 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.654 -0.486 3.764 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.665 0.898 4.183 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -12.373 0.408 1.288 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -13.572 1.106 2.358 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -12.535 2.958 1.557 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -11.632 2.709 2.973 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -11.005 2.226 1.471 1.00 1.48 H new ATOM 298 N LYS A 19 -8.808 -0.765 6.196 1.00 0.47 N ATOM 299 CA LYS A 19 -9.321 -0.718 7.556 1.00 0.53 C ATOM 300 C LYS A 19 -8.182 -0.554 8.545 1.00 0.54 C ATOM 301 O LYS A 19 -8.312 0.126 9.563 1.00 0.67 O ATOM 302 CB LYS A 19 -10.094 -1.993 7.885 1.00 0.60 C ATOM 303 CG LYS A 19 -11.422 -1.729 8.571 1.00 0.84 C ATOM 304 CD LYS A 19 -12.570 -1.765 7.581 1.00 1.09 C ATOM 305 CE LYS A 19 -13.281 -3.109 7.613 1.00 1.31 C ATOM 306 NZ LYS A 19 -13.924 -3.366 8.931 1.00 1.68 N ATOM 0 H LYS A 19 -8.323 -1.630 5.959 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.993 0.137 7.632 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.272 -2.549 6.965 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.481 -2.626 8.526 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.586 -2.474 9.349 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -11.393 -0.756 9.062 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -13.279 -0.970 7.813 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -12.193 -1.573 6.576 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -14.037 -3.138 6.828 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -12.566 -3.903 7.397 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -14.756 -3.976 8.798 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -13.246 -3.838 9.562 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.220 -2.464 9.355 1.00 1.68 H new ATOM 320 N HIS A 20 -7.059 -1.179 8.237 1.00 0.55 N ATOM 321 CA HIS A 20 -5.889 -1.115 9.098 1.00 0.59 C ATOM 322 C HIS A 20 -4.991 0.052 8.703 1.00 0.58 C ATOM 323 O HIS A 20 -3.852 0.145 9.150 1.00 0.66 O ATOM 324 CB HIS A 20 -5.110 -2.429 9.029 1.00 0.68 C ATOM 325 CG HIS A 20 -5.471 -3.403 10.110 1.00 0.74 C ATOM 326 ND1 HIS A 20 -6.429 -4.386 9.962 1.00 0.90 N ATOM 327 CD2 HIS A 20 -4.983 -3.546 11.365 1.00 0.98 C ATOM 328 CE1 HIS A 20 -6.511 -5.087 11.076 1.00 1.07 C ATOM 329 NE2 HIS A 20 -5.645 -4.600 11.943 1.00 1.13 N ATOM 0 H HIS A 20 -6.932 -1.739 7.394 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.225 -0.957 10.123 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.286 -2.895 8.059 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -4.044 -2.212 9.089 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.986 -4.545 9.123 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -4.215 -2.942 11.826 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -7.176 -5.920 11.249 1.00 1.07 H new ATOM 338 N ASN A 21 -5.519 0.950 7.882 1.00 0.58 N ATOM 339 CA ASN A 21 -4.765 2.111 7.420 1.00 0.61 C ATOM 340 C ASN A 21 -4.654 3.175 8.518 1.00 0.60 C ATOM 341 O ASN A 21 -5.296 4.225 8.473 1.00 0.75 O ATOM 342 CB ASN A 21 -5.396 2.691 6.143 1.00 0.72 C ATOM 343 CG ASN A 21 -6.837 3.157 6.317 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.555 2.705 7.214 1.00 0.96 O ATOM 345 ND2 ASN A 21 -7.273 4.056 5.447 1.00 0.88 N ATOM 0 H ASN A 21 -6.471 0.897 7.520 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.753 1.785 7.180 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.792 3.532 5.802 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -5.362 1.935 5.358 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -8.232 4.398 5.505 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.650 4.406 4.719 1.00 0.88 H new ATOM 352 N HIS A 22 -3.832 2.886 9.512 1.00 0.64 N ATOM 353 CA HIS A 22 -3.627 3.799 10.626 1.00 0.76 C ATOM 354 C HIS A 22 -2.200 4.333 10.623 1.00 0.88 C ATOM 355 O HIS A 22 -1.393 3.955 9.774 1.00 1.61 O ATOM 356 CB HIS A 22 -3.925 3.094 11.952 1.00 0.83 C ATOM 357 CG HIS A 22 -5.378 2.780 12.152 1.00 0.87 C ATOM 358 ND1 HIS A 22 -6.256 3.649 12.758 1.00 1.32 N ATOM 359 CD2 HIS A 22 -6.105 1.686 11.820 1.00 1.17 C ATOM 360 CE1 HIS A 22 -7.457 3.107 12.791 1.00 1.29 C ATOM 361 NE2 HIS A 22 -7.396 1.915 12.228 1.00 1.09 N ATOM 0 H HIS A 22 -3.293 2.022 9.571 1.00 0.64 H new ATOM 0 HA HIS A 22 -4.312 4.639 10.514 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -3.352 2.168 11.998 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -3.581 3.723 12.773 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -5.737 0.799 11.326 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -8.343 3.562 13.209 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -8.178 1.270 12.115 1.00 1.09 H new ATOM 370 N SER A 23 -1.883 5.193 11.580 1.00 0.60 N ATOM 371 CA SER A 23 -0.548 5.772 11.680 1.00 0.62 C ATOM 372 C SER A 23 0.481 4.722 12.109 1.00 0.52 C ATOM 373 O SER A 23 1.687 4.933 11.992 1.00 0.62 O ATOM 374 CB SER A 23 -0.572 6.935 12.672 1.00 0.84 C ATOM 375 OG SER A 23 -1.496 6.684 13.719 1.00 1.32 O ATOM 0 H SER A 23 -2.533 5.507 12.301 1.00 0.60 H new ATOM 0 HA SER A 23 -0.252 6.140 10.697 1.00 0.62 H new ATOM 0 HB2 SER A 23 0.424 7.085 13.088 1.00 0.84 H new ATOM 0 HB3 SER A 23 -0.843 7.855 12.154 1.00 0.84 H new ATOM 0 HG SER A 23 -1.495 7.439 14.344 1.00 1.32 H new ATOM 381 N LYS A 24 -0.011 3.598 12.614 1.00 0.51 N ATOM 382 CA LYS A 24 0.859 2.511 13.050 1.00 0.51 C ATOM 383 C LYS A 24 0.821 1.359 12.047 1.00 0.44 C ATOM 384 O LYS A 24 1.382 0.286 12.290 1.00 0.45 O ATOM 385 CB LYS A 24 0.432 2.013 14.436 1.00 0.71 C ATOM 386 CG LYS A 24 -1.007 1.511 14.490 1.00 0.97 C ATOM 387 CD LYS A 24 -1.927 2.507 15.177 1.00 1.41 C ATOM 388 CE LYS A 24 -2.017 2.244 16.672 1.00 1.88 C ATOM 389 NZ LYS A 24 -2.903 3.220 17.358 1.00 2.36 N ATOM 0 H LYS A 24 -1.007 3.414 12.732 1.00 0.51 H new ATOM 0 HA LYS A 24 1.880 2.890 13.108 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.100 1.209 14.745 1.00 0.71 H new ATOM 0 HB3 LYS A 24 0.553 2.822 15.156 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -1.365 1.324 13.478 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -1.040 0.559 15.021 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -1.561 3.519 15.006 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -2.922 2.449 14.736 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -2.391 1.234 16.840 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -1.019 2.291 17.109 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -2.936 3.004 18.375 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -2.532 4.182 17.220 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -3.862 3.158 16.960 1.00 2.36 H new ATOM 403 N SER A 25 0.137 1.584 10.932 1.00 0.43 N ATOM 404 CA SER A 25 0.007 0.583 9.877 1.00 0.42 C ATOM 405 C SER A 25 -0.332 1.261 8.547 1.00 0.42 C ATOM 406 O SER A 25 -1.332 0.938 7.904 1.00 0.50 O ATOM 407 CB SER A 25 -1.080 -0.443 10.231 1.00 0.48 C ATOM 408 OG SER A 25 -0.965 -0.887 11.576 1.00 0.83 O ATOM 0 H SER A 25 -0.342 2.462 10.733 1.00 0.43 H new ATOM 0 HA SER A 25 0.959 0.061 9.782 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.064 0.001 10.077 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.007 -1.297 9.558 1.00 0.48 H new ATOM 0 HG SER A 25 -1.673 -1.537 11.767 1.00 0.83 H new ATOM 414 N THR A 26 0.490 2.217 8.151 1.00 0.42 N ATOM 415 CA THR A 26 0.272 2.938 6.908 1.00 0.43 C ATOM 416 C THR A 26 0.720 2.111 5.700 1.00 0.36 C ATOM 417 O THR A 26 1.891 2.130 5.311 1.00 0.41 O ATOM 418 CB THR A 26 1.014 4.285 6.922 1.00 0.51 C ATOM 419 OG1 THR A 26 0.815 4.927 8.192 1.00 0.64 O ATOM 420 CG2 THR A 26 0.520 5.195 5.806 1.00 0.56 C ATOM 0 H THR A 26 1.315 2.513 8.672 1.00 0.42 H new ATOM 0 HA THR A 26 -0.799 3.124 6.821 1.00 0.43 H new ATOM 0 HB THR A 26 2.076 4.096 6.763 1.00 0.51 H new ATOM 0 HG1 THR A 26 -0.002 4.581 8.609 1.00 0.64 H new ATOM 0 HG21 THR A 26 1.062 6.140 5.840 1.00 0.56 H new ATOM 0 HG22 THR A 26 0.689 4.714 4.843 1.00 0.56 H new ATOM 0 HG23 THR A 26 -0.546 5.383 5.935 1.00 0.56 H new ATOM 428 N TRP A 27 -0.222 1.370 5.131 1.00 0.35 N ATOM 429 CA TRP A 27 0.049 0.537 3.967 1.00 0.33 C ATOM 430 C TRP A 27 -0.385 1.253 2.692 1.00 0.32 C ATOM 431 O TRP A 27 -1.426 1.915 2.664 1.00 0.36 O ATOM 432 CB TRP A 27 -0.691 -0.801 4.076 1.00 0.38 C ATOM 433 CG TRP A 27 -0.372 -1.590 5.311 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.758 -1.513 6.074 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.197 -2.593 5.919 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.683 -2.399 7.121 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.505 -3.076 7.047 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.452 -3.129 5.620 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -1.029 -4.067 7.876 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -2.971 -4.113 6.440 1.00 0.68 C ATOM 441 CH2 TRP A 27 -2.259 -4.574 7.558 1.00 0.71 C ATOM 0 H TRP A 27 -1.187 1.329 5.460 1.00 0.35 H new ATOM 0 HA TRP A 27 1.122 0.348 3.928 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.764 -0.611 4.048 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.452 -1.406 3.202 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.590 -0.852 5.882 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.397 -2.531 7.838 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -3.008 -2.780 4.762 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 -0.483 -4.422 8.738 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -3.940 -4.534 6.217 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -2.691 -5.344 8.180 1.00 0.71 H new ATOM 452 N LEU A 28 0.412 1.125 1.645 1.00 0.32 N ATOM 453 CA LEU A 28 0.100 1.744 0.363 1.00 0.33 C ATOM 454 C LEU A 28 0.050 0.686 -0.730 1.00 0.32 C ATOM 455 O LEU A 28 0.854 -0.250 -0.733 1.00 0.32 O ATOM 456 CB LEU A 28 1.142 2.806 -0.009 1.00 0.36 C ATOM 457 CG LEU A 28 0.836 4.233 0.457 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.633 4.571 1.710 1.00 0.85 C ATOM 459 CD2 LEU A 28 1.136 5.233 -0.656 1.00 0.99 C ATOM 0 H LEU A 28 1.284 0.596 1.656 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.873 2.227 0.455 1.00 0.33 H new ATOM 0 HB2 LEU A 28 2.103 2.506 0.408 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.254 2.814 -1.093 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.225 4.296 0.700 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.402 5.589 2.025 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.370 3.876 2.507 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.699 4.491 1.496 1.00 0.85 H new ATOM 0 HD21 LEU A 28 0.913 6.242 -0.309 1.00 0.99 H new ATOM 0 HD22 LEU A 28 2.189 5.168 -0.930 1.00 0.99 H new ATOM 0 HD23 LEU A 28 0.520 5.005 -1.526 1.00 0.99 H new ATOM 471 N ILE A 29 -0.895 0.824 -1.646 1.00 0.35 N ATOM 472 CA ILE A 29 -1.017 -0.114 -2.746 1.00 0.36 C ATOM 473 C ILE A 29 -0.369 0.471 -3.996 1.00 0.36 C ATOM 474 O ILE A 29 -0.822 1.482 -4.534 1.00 0.39 O ATOM 475 CB ILE A 29 -2.488 -0.479 -3.048 1.00 0.42 C ATOM 476 CG1 ILE A 29 -3.120 -1.204 -1.852 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.572 -1.345 -4.301 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.548 -1.643 -2.097 1.00 0.80 C ATOM 0 H ILE A 29 -1.586 1.574 -1.648 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.506 -1.030 -2.449 1.00 0.36 H new ATOM 0 HB ILE A 29 -3.044 0.442 -3.224 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.517 -2.078 -1.607 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -3.095 -0.546 -0.984 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.614 -1.595 -4.502 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -2.160 -0.799 -5.149 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -2.002 -2.262 -4.149 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -4.931 -2.148 -1.210 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -5.165 -0.771 -2.312 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.578 -2.327 -2.945 1.00 0.80 H new ATOM 490 N LEU A 30 0.709 -0.155 -4.438 1.00 0.34 N ATOM 491 CA LEU A 30 1.427 0.294 -5.618 1.00 0.37 C ATOM 492 C LEU A 30 1.534 -0.847 -6.614 1.00 0.38 C ATOM 493 O LEU A 30 2.094 -1.896 -6.301 1.00 0.38 O ATOM 494 CB LEU A 30 2.829 0.784 -5.249 1.00 0.38 C ATOM 495 CG LEU A 30 2.912 1.686 -4.017 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.347 1.764 -3.531 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.375 3.079 -4.320 1.00 0.48 C ATOM 0 H LEU A 30 1.108 -0.982 -3.993 1.00 0.34 H new ATOM 0 HA LEU A 30 0.876 1.123 -6.063 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.466 -0.085 -5.084 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.241 1.325 -6.101 1.00 0.38 H new ATOM 0 HG LEU A 30 2.293 1.254 -3.231 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.399 2.408 -2.653 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.697 0.765 -3.270 1.00 0.44 H new ATOM 0 HD13 LEU A 30 4.977 2.175 -4.320 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.446 3.699 -3.426 1.00 0.48 H new ATOM 0 HD22 LEU A 30 2.962 3.529 -5.121 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.332 3.008 -4.630 1.00 0.48 H new ATOM 509 N HIS A 31 0.968 -0.641 -7.793 1.00 0.41 N ATOM 510 CA HIS A 31 0.991 -1.640 -8.856 1.00 0.43 C ATOM 511 C HIS A 31 0.211 -2.880 -8.440 1.00 0.42 C ATOM 512 O HIS A 31 0.600 -4.008 -8.743 1.00 0.45 O ATOM 513 CB HIS A 31 2.431 -1.997 -9.254 1.00 0.47 C ATOM 514 CG HIS A 31 2.923 -1.229 -10.445 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.617 -1.805 -11.480 1.00 1.11 N ATOM 516 CD2 HIS A 31 2.801 0.081 -10.761 1.00 1.10 C ATOM 517 CE1 HIS A 31 3.897 -0.886 -12.385 1.00 1.22 C ATOM 518 NE2 HIS A 31 3.409 0.272 -11.975 1.00 1.18 N ATOM 0 H HIS A 31 0.481 0.220 -8.042 1.00 0.41 H new ATOM 0 HA HIS A 31 0.507 -1.212 -9.734 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.092 -1.807 -8.409 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.488 -3.064 -9.469 1.00 0.47 H new ATOM 0 HD2 HIS A 31 2.313 0.838 -10.165 1.00 1.10 H new ATOM 0 HE1 HIS A 31 4.435 -1.052 -13.307 1.00 1.22 H new ATOM 0 HE2 HIS A 31 3.474 1.158 -12.477 1.00 1.18 H new ATOM 527 N HIS A 32 -0.896 -2.646 -7.733 1.00 0.42 N ATOM 528 CA HIS A 32 -1.797 -3.709 -7.270 1.00 0.44 C ATOM 529 C HIS A 32 -1.158 -4.600 -6.200 1.00 0.40 C ATOM 530 O HIS A 32 -1.539 -5.764 -6.050 1.00 0.44 O ATOM 531 CB HIS A 32 -2.277 -4.560 -8.454 1.00 0.52 C ATOM 532 CG HIS A 32 -3.034 -3.780 -9.482 1.00 0.68 C ATOM 533 ND1 HIS A 32 -2.479 -3.364 -10.672 1.00 1.01 N ATOM 534 CD2 HIS A 32 -4.307 -3.326 -9.486 1.00 0.85 C ATOM 535 CE1 HIS A 32 -3.377 -2.684 -11.359 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.497 -2.647 -10.663 1.00 0.97 N ATOM 0 H HIS A 32 -1.196 -1.709 -7.463 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.653 -3.218 -6.807 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.414 -5.029 -8.928 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.911 -5.364 -8.080 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -5.040 -3.471 -8.706 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -3.221 -2.233 -12.328 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.361 -2.189 -10.952 1.00 0.97 H new ATOM 545 N LYS A 33 -0.201 -4.054 -5.459 1.00 0.37 N ATOM 546 CA LYS A 33 0.462 -4.797 -4.393 1.00 0.37 C ATOM 547 C LYS A 33 0.457 -3.965 -3.114 1.00 0.33 C ATOM 548 O LYS A 33 0.410 -2.739 -3.176 1.00 0.36 O ATOM 549 CB LYS A 33 1.894 -5.164 -4.791 1.00 0.40 C ATOM 550 CG LYS A 33 1.977 -6.005 -6.054 1.00 0.57 C ATOM 551 CD LYS A 33 3.331 -6.672 -6.189 1.00 0.79 C ATOM 552 CE LYS A 33 3.411 -7.510 -7.453 1.00 0.94 C ATOM 553 NZ LYS A 33 4.679 -8.278 -7.525 1.00 1.02 N ATOM 0 H LYS A 33 0.134 -3.098 -5.577 1.00 0.37 H new ATOM 0 HA LYS A 33 -0.082 -5.725 -4.219 1.00 0.37 H new ATOM 0 HB2 LYS A 33 2.468 -4.249 -4.935 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.362 -5.708 -3.971 1.00 0.40 H new ATOM 0 HG2 LYS A 33 1.196 -6.765 -6.038 1.00 0.57 H new ATOM 0 HG3 LYS A 33 1.792 -5.376 -6.924 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.113 -5.913 -6.204 1.00 0.79 H new ATOM 0 HD3 LYS A 33 3.516 -7.303 -5.320 1.00 0.79 H new ATOM 0 HE2 LYS A 33 2.567 -8.198 -7.487 1.00 0.94 H new ATOM 0 HE3 LYS A 33 3.329 -6.861 -8.325 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 4.697 -8.838 -8.401 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 5.484 -7.620 -7.518 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 4.746 -8.915 -6.706 1.00 1.02 H new ATOM 567 N VAL A 34 0.510 -4.627 -1.964 1.00 0.30 N ATOM 568 CA VAL A 34 0.474 -3.930 -0.681 1.00 0.30 C ATOM 569 C VAL A 34 1.865 -3.801 -0.069 1.00 0.27 C ATOM 570 O VAL A 34 2.558 -4.799 0.152 1.00 0.28 O ATOM 571 CB VAL A 34 -0.446 -4.649 0.329 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.685 -3.773 1.552 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.765 -5.040 -0.321 1.00 0.35 C ATOM 0 H VAL A 34 0.578 -5.642 -1.892 1.00 0.30 H new ATOM 0 HA VAL A 34 0.079 -2.935 -0.886 1.00 0.30 H new ATOM 0 HB VAL A 34 0.053 -5.562 0.654 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.336 -4.296 2.253 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.267 -3.555 2.035 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -1.158 -2.840 1.245 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.396 -5.545 0.411 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -2.272 -4.145 -0.681 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.573 -5.710 -1.159 1.00 0.35 H new ATOM 583 N TYR A 35 2.265 -2.565 0.202 1.00 0.28 N ATOM 584 CA TYR A 35 3.565 -2.285 0.800 1.00 0.28 C ATOM 585 C TYR A 35 3.388 -1.565 2.133 1.00 0.30 C ATOM 586 O TYR A 35 2.551 -0.667 2.250 1.00 0.32 O ATOM 587 CB TYR A 35 4.414 -1.407 -0.131 1.00 0.31 C ATOM 588 CG TYR A 35 4.606 -1.965 -1.523 1.00 0.31 C ATOM 589 CD1 TYR A 35 3.646 -1.770 -2.506 1.00 0.43 C ATOM 590 CD2 TYR A 35 5.751 -2.676 -1.857 1.00 0.35 C ATOM 591 CE1 TYR A 35 3.821 -2.268 -3.780 1.00 0.47 C ATOM 592 CE2 TYR A 35 5.930 -3.178 -3.131 1.00 0.40 C ATOM 593 CZ TYR A 35 4.963 -2.971 -4.089 1.00 0.41 C ATOM 594 OH TYR A 35 5.139 -3.463 -5.364 1.00 0.48 O ATOM 0 H TYR A 35 1.703 -1.734 0.016 1.00 0.28 H new ATOM 0 HA TYR A 35 4.073 -3.236 0.959 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.946 -0.425 -0.209 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.393 -1.258 0.325 1.00 0.31 H new ATOM 0 HD1 TYR A 35 2.747 -1.219 -2.269 1.00 0.43 H new ATOM 0 HD2 TYR A 35 6.513 -2.839 -1.109 1.00 0.35 H new ATOM 0 HE1 TYR A 35 3.064 -2.107 -4.533 1.00 0.47 H new ATOM 0 HE2 TYR A 35 6.825 -3.731 -3.375 1.00 0.40 H new ATOM 0 HH TYR A 35 5.997 -3.934 -5.417 1.00 0.48 H new ATOM 604 N ASP A 36 4.164 -1.964 3.128 1.00 0.32 N ATOM 605 CA ASP A 36 4.109 -1.336 4.442 1.00 0.36 C ATOM 606 C ASP A 36 5.312 -0.431 4.631 1.00 0.38 C ATOM 607 O ASP A 36 6.456 -0.865 4.509 1.00 0.50 O ATOM 608 CB ASP A 36 4.074 -2.379 5.563 1.00 0.43 C ATOM 609 CG ASP A 36 4.344 -1.771 6.931 1.00 0.57 C ATOM 610 OD1 ASP A 36 3.841 -0.660 7.214 1.00 0.90 O ATOM 611 OD2 ASP A 36 5.062 -2.407 7.734 1.00 1.28 O ATOM 0 H ASP A 36 4.842 -2.722 3.052 1.00 0.32 H new ATOM 0 HA ASP A 36 3.191 -0.750 4.493 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.099 -2.867 5.571 1.00 0.43 H new ATOM 0 HB3 ASP A 36 4.815 -3.152 5.359 1.00 0.43 H new ATOM 616 N LEU A 37 5.043 0.822 4.926 1.00 0.37 N ATOM 617 CA LEU A 37 6.090 1.802 5.133 1.00 0.43 C ATOM 618 C LEU A 37 5.681 2.752 6.244 1.00 0.37 C ATOM 619 O LEU A 37 6.049 3.926 6.244 1.00 0.40 O ATOM 620 CB LEU A 37 6.368 2.581 3.842 1.00 0.56 C ATOM 621 CG LEU A 37 5.162 3.303 3.244 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.607 4.564 2.520 1.00 0.86 C ATOM 623 CD2 LEU A 37 4.409 2.380 2.299 1.00 0.80 C ATOM 0 H LEU A 37 4.097 1.190 5.029 1.00 0.37 H new ATOM 0 HA LEU A 37 7.006 1.285 5.419 1.00 0.43 H new ATOM 0 HB2 LEU A 37 7.149 3.315 4.041 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.763 1.890 3.098 1.00 0.56 H new ATOM 0 HG LEU A 37 4.490 3.590 4.053 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.737 5.068 2.099 1.00 0.86 H new ATOM 0 HD12 LEU A 37 6.107 5.230 3.223 1.00 0.86 H new ATOM 0 HD13 LEU A 37 6.296 4.299 1.718 1.00 0.86 H new ATOM 0 HD21 LEU A 37 3.552 2.908 1.880 1.00 0.80 H new ATOM 0 HD22 LEU A 37 5.071 2.066 1.492 1.00 0.80 H new ATOM 0 HD23 LEU A 37 4.063 1.503 2.846 1.00 0.80 H new ATOM 635 N THR A 38 4.933 2.221 7.204 1.00 0.34 N ATOM 636 CA THR A 38 4.452 3.008 8.330 1.00 0.36 C ATOM 637 C THR A 38 5.616 3.592 9.139 1.00 0.38 C ATOM 638 O THR A 38 5.453 4.568 9.868 1.00 0.44 O ATOM 639 CB THR A 38 3.534 2.152 9.235 1.00 0.41 C ATOM 640 OG1 THR A 38 2.592 2.988 9.919 1.00 0.48 O ATOM 641 CG2 THR A 38 4.333 1.346 10.252 1.00 0.48 C ATOM 0 H THR A 38 4.646 1.242 7.223 1.00 0.34 H new ATOM 0 HA THR A 38 3.872 3.841 7.934 1.00 0.36 H new ATOM 0 HB THR A 38 3.003 1.452 8.590 1.00 0.41 H new ATOM 0 HG1 THR A 38 3.034 3.816 10.200 1.00 0.48 H new ATOM 0 HG21 THR A 38 3.651 0.759 10.868 1.00 0.48 H new ATOM 0 HG22 THR A 38 5.017 0.677 9.730 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.903 2.024 10.887 1.00 0.48 H new ATOM 649 N LYS A 39 6.798 3.004 8.986 1.00 0.39 N ATOM 650 CA LYS A 39 7.978 3.475 9.692 1.00 0.47 C ATOM 651 C LYS A 39 8.986 4.081 8.719 1.00 0.47 C ATOM 652 O LYS A 39 10.179 4.150 9.012 1.00 0.59 O ATOM 653 CB LYS A 39 8.625 2.332 10.482 1.00 0.56 C ATOM 654 CG LYS A 39 8.014 2.119 11.858 1.00 0.75 C ATOM 655 CD LYS A 39 8.354 3.266 12.794 1.00 0.92 C ATOM 656 CE LYS A 39 7.756 3.057 14.175 1.00 1.27 C ATOM 657 NZ LYS A 39 8.133 4.146 15.113 1.00 1.50 N ATOM 0 H LYS A 39 6.961 2.201 8.379 1.00 0.39 H new ATOM 0 HA LYS A 39 7.666 4.250 10.392 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.537 1.410 9.908 1.00 0.56 H new ATOM 0 HB3 LYS A 39 9.690 2.537 10.594 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.932 2.028 11.768 1.00 0.75 H new ATOM 0 HG3 LYS A 39 8.378 1.182 12.279 1.00 0.75 H new ATOM 0 HD2 LYS A 39 9.437 3.360 12.876 1.00 0.92 H new ATOM 0 HD3 LYS A 39 7.983 4.201 12.374 1.00 0.92 H new ATOM 0 HE2 LYS A 39 6.670 3.005 14.096 1.00 1.27 H new ATOM 0 HE3 LYS A 39 8.092 2.101 14.575 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 7.705 3.966 16.044 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 9.168 4.179 15.208 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 7.790 5.056 14.744 1.00 1.50 H new ATOM 671 N PHE A 40 8.501 4.518 7.564 1.00 0.40 N ATOM 672 CA PHE A 40 9.363 5.119 6.551 1.00 0.44 C ATOM 673 C PHE A 40 8.745 6.413 6.026 1.00 0.40 C ATOM 674 O PHE A 40 9.285 7.044 5.120 1.00 0.42 O ATOM 675 CB PHE A 40 9.586 4.132 5.398 1.00 0.52 C ATOM 676 CG PHE A 40 10.884 4.336 4.665 1.00 1.16 C ATOM 677 CD1 PHE A 40 12.074 3.884 5.206 1.00 1.66 C ATOM 678 CD2 PHE A 40 10.909 4.972 3.437 1.00 1.77 C ATOM 679 CE1 PHE A 40 13.269 4.061 4.537 1.00 2.39 C ATOM 680 CE2 PHE A 40 12.100 5.155 2.760 1.00 2.45 C ATOM 681 CZ PHE A 40 13.282 4.699 3.311 1.00 2.68 C ATOM 0 H PHE A 40 7.516 4.468 7.304 1.00 0.40 H new ATOM 0 HA PHE A 40 10.325 5.354 7.005 1.00 0.44 H new ATOM 0 HB2 PHE A 40 9.558 3.116 5.792 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.762 4.223 4.690 1.00 0.52 H new ATOM 0 HD1 PHE A 40 12.069 3.386 6.164 1.00 1.66 H new ATOM 0 HD2 PHE A 40 9.987 5.330 3.002 1.00 1.77 H new ATOM 0 HE1 PHE A 40 14.191 3.702 4.970 1.00 2.39 H new ATOM 0 HE2 PHE A 40 12.107 5.654 1.802 1.00 2.45 H new ATOM 0 HZ PHE A 40 14.214 4.841 2.785 1.00 2.68 H new ATOM 691 N LEU A 41 7.634 6.822 6.629 1.00 0.39 N ATOM 692 CA LEU A 41 6.926 8.029 6.211 1.00 0.43 C ATOM 693 C LEU A 41 7.770 9.274 6.462 1.00 0.44 C ATOM 694 O LEU A 41 7.887 10.140 5.598 1.00 0.47 O ATOM 695 CB LEU A 41 5.592 8.152 6.953 1.00 0.49 C ATOM 696 CG LEU A 41 4.714 6.896 6.941 1.00 0.48 C ATOM 697 CD1 LEU A 41 3.606 7.010 7.974 1.00 0.55 C ATOM 698 CD2 LEU A 41 4.131 6.662 5.554 1.00 0.59 C ATOM 0 H LEU A 41 7.202 6.333 7.413 1.00 0.39 H new ATOM 0 HA LEU A 41 6.735 7.949 5.141 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.796 8.422 7.989 1.00 0.49 H new ATOM 0 HB3 LEU A 41 5.026 8.974 6.515 1.00 0.49 H new ATOM 0 HG LEU A 41 5.337 6.040 7.199 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.993 6.109 7.951 1.00 0.55 H new ATOM 0 HD12 LEU A 41 4.044 7.126 8.966 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.985 7.877 7.748 1.00 0.55 H new ATOM 0 HD21 LEU A 41 3.511 5.766 5.566 1.00 0.59 H new ATOM 0 HD22 LEU A 41 3.523 7.520 5.265 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.941 6.533 4.836 1.00 0.59 H new ATOM 710 N GLU A 42 8.377 9.343 7.643 1.00 0.49 N ATOM 711 CA GLU A 42 9.205 10.489 8.012 1.00 0.56 C ATOM 712 C GLU A 42 10.580 10.415 7.344 1.00 0.54 C ATOM 713 O GLU A 42 11.368 11.359 7.411 1.00 0.66 O ATOM 714 CB GLU A 42 9.352 10.569 9.535 1.00 0.67 C ATOM 715 CG GLU A 42 9.957 9.320 10.158 1.00 0.72 C ATOM 716 CD GLU A 42 9.320 8.964 11.485 1.00 0.93 C ATOM 717 OE1 GLU A 42 9.583 9.662 12.491 1.00 1.50 O ATOM 718 OE2 GLU A 42 8.556 7.985 11.531 1.00 1.40 O ATOM 0 H GLU A 42 8.312 8.621 8.360 1.00 0.49 H new ATOM 0 HA GLU A 42 8.709 11.393 7.659 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.975 11.428 9.786 1.00 0.67 H new ATOM 0 HB3 GLU A 42 8.371 10.746 9.977 1.00 0.67 H new ATOM 0 HG2 GLU A 42 9.844 8.483 9.469 1.00 0.72 H new ATOM 0 HG3 GLU A 42 11.027 9.472 10.302 1.00 0.72 H new ATOM 725 N GLU A 43 10.860 9.286 6.705 1.00 0.48 N ATOM 726 CA GLU A 43 12.129 9.086 6.018 1.00 0.50 C ATOM 727 C GLU A 43 11.930 9.166 4.509 1.00 0.43 C ATOM 728 O GLU A 43 12.854 8.915 3.734 1.00 0.54 O ATOM 729 CB GLU A 43 12.730 7.727 6.384 1.00 0.58 C ATOM 730 CG GLU A 43 13.289 7.656 7.796 1.00 0.76 C ATOM 731 CD GLU A 43 14.072 6.383 8.044 1.00 0.96 C ATOM 732 OE1 GLU A 43 15.297 6.378 7.799 1.00 1.46 O ATOM 733 OE2 GLU A 43 13.470 5.385 8.488 1.00 1.56 O ATOM 0 H GLU A 43 10.222 8.492 6.648 1.00 0.48 H new ATOM 0 HA GLU A 43 12.815 9.873 6.333 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.964 6.960 6.269 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.526 7.491 5.677 1.00 0.58 H new ATOM 0 HG2 GLU A 43 13.935 8.516 7.972 1.00 0.76 H new ATOM 0 HG3 GLU A 43 12.470 7.721 8.512 1.00 0.76 H new ATOM 740 N HIS A 44 10.724 9.524 4.101 1.00 0.43 N ATOM 741 CA HIS A 44 10.395 9.622 2.690 1.00 0.39 C ATOM 742 C HIS A 44 10.598 11.047 2.180 1.00 0.43 C ATOM 743 O HIS A 44 10.008 11.995 2.702 1.00 0.51 O ATOM 744 CB HIS A 44 8.948 9.177 2.460 1.00 0.41 C ATOM 745 CG HIS A 44 8.521 9.225 1.027 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.743 10.226 0.496 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.790 8.373 0.006 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.570 9.964 -0.801 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.186 8.850 -1.150 1.00 0.41 N ATOM 0 H HIS A 44 9.954 9.752 4.730 1.00 0.43 H new ATOM 0 HA HIS A 44 11.064 8.965 2.133 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.828 8.159 2.831 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.285 9.811 3.048 1.00 0.41 H new ATOM 0 HD1 HIS A 44 7.365 11.026 1.003 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.378 7.470 0.080 1.00 0.41 H new ATOM 0 HE1 HIS A 44 7.000 10.583 -1.478 1.00 0.40 H new ATOM 757 N PRO A 45 11.439 11.211 1.152 1.00 0.44 N ATOM 758 CA PRO A 45 11.711 12.516 0.562 1.00 0.53 C ATOM 759 C PRO A 45 10.562 12.980 -0.327 1.00 0.62 C ATOM 760 O PRO A 45 10.249 12.349 -1.336 1.00 1.11 O ATOM 761 CB PRO A 45 12.974 12.273 -0.263 1.00 0.58 C ATOM 762 CG PRO A 45 12.915 10.832 -0.636 1.00 0.56 C ATOM 763 CD PRO A 45 12.189 10.129 0.482 1.00 0.44 C ATOM 0 HA PRO A 45 11.829 13.299 1.311 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.997 12.910 -1.147 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.872 12.496 0.314 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.392 10.698 -1.583 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.917 10.423 -0.765 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.521 9.356 0.101 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.884 9.641 1.166 1.00 0.44 H new ATOM 771 N GLY A 46 9.925 14.070 0.060 1.00 0.75 N ATOM 772 CA GLY A 46 8.814 14.588 -0.708 1.00 0.82 C ATOM 773 C GLY A 46 7.600 14.831 0.159 1.00 0.83 C ATOM 774 O GLY A 46 6.605 15.400 -0.293 1.00 1.38 O ATOM 0 H GLY A 46 10.157 14.608 0.895 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.109 15.520 -1.191 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.560 13.884 -1.501 1.00 0.82 H new ATOM 778 N GLY A 47 7.678 14.387 1.406 1.00 0.66 N ATOM 779 CA GLY A 47 6.581 14.581 2.328 1.00 0.67 C ATOM 780 C GLY A 47 5.966 13.278 2.794 1.00 0.60 C ATOM 781 O GLY A 47 6.127 12.236 2.154 1.00 0.64 O ATOM 0 H GLY A 47 8.483 13.896 1.794 1.00 0.66 H new ATOM 0 HA2 GLY A 47 6.935 15.140 3.194 1.00 0.67 H new ATOM 0 HA3 GLY A 47 5.813 15.189 1.849 1.00 0.67 H new ATOM 785 N GLU A 48 5.257 13.345 3.910 1.00 0.61 N ATOM 786 CA GLU A 48 4.605 12.177 4.483 1.00 0.63 C ATOM 787 C GLU A 48 3.101 12.229 4.233 1.00 0.63 C ATOM 788 O GLU A 48 2.433 11.193 4.193 1.00 0.65 O ATOM 789 CB GLU A 48 4.885 12.100 5.986 1.00 0.76 C ATOM 790 CG GLU A 48 4.602 13.404 6.717 1.00 0.95 C ATOM 791 CD GLU A 48 4.694 13.273 8.220 1.00 1.21 C ATOM 792 OE1 GLU A 48 5.788 12.963 8.727 1.00 1.79 O ATOM 793 OE2 GLU A 48 3.670 13.494 8.903 1.00 1.86 O ATOM 0 H GLU A 48 5.118 14.204 4.441 1.00 0.61 H new ATOM 0 HA GLU A 48 5.007 11.285 4.002 1.00 0.63 H new ATOM 0 HB2 GLU A 48 4.277 11.307 6.422 1.00 0.76 H new ATOM 0 HB3 GLU A 48 5.928 11.823 6.141 1.00 0.76 H new ATOM 0 HG2 GLU A 48 5.308 14.163 6.380 1.00 0.95 H new ATOM 0 HG3 GLU A 48 3.605 13.755 6.449 1.00 0.95 H new ATOM 800 N GLU A 49 2.573 13.439 4.047 1.00 0.66 N ATOM 801 CA GLU A 49 1.149 13.628 3.807 1.00 0.74 C ATOM 802 C GLU A 49 0.706 12.891 2.552 1.00 0.68 C ATOM 803 O GLU A 49 -0.338 12.240 2.541 1.00 0.72 O ATOM 804 CB GLU A 49 0.816 15.114 3.678 1.00 0.86 C ATOM 805 CG GLU A 49 -0.615 15.374 3.235 1.00 1.10 C ATOM 806 CD GLU A 49 -0.967 16.840 3.226 1.00 1.32 C ATOM 807 OE1 GLU A 49 -0.148 17.645 2.732 1.00 1.81 O ATOM 808 OE2 GLU A 49 -2.060 17.198 3.719 1.00 1.69 O ATOM 0 H GLU A 49 3.115 14.303 4.059 1.00 0.66 H new ATOM 0 HA GLU A 49 0.611 13.217 4.661 1.00 0.74 H new ATOM 0 HB2 GLU A 49 0.986 15.602 4.638 1.00 0.86 H new ATOM 0 HB3 GLU A 49 1.499 15.571 2.962 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -0.761 14.964 2.236 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -1.298 14.845 3.900 1.00 1.10 H new ATOM 815 N VAL A 50 1.529 12.965 1.513 1.00 0.63 N ATOM 816 CA VAL A 50 1.230 12.318 0.242 1.00 0.60 C ATOM 817 C VAL A 50 1.116 10.802 0.388 1.00 0.54 C ATOM 818 O VAL A 50 0.549 10.130 -0.472 1.00 0.54 O ATOM 819 CB VAL A 50 2.299 12.655 -0.820 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.235 14.129 -1.176 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.694 12.279 -0.335 1.00 0.62 C ATOM 0 H VAL A 50 2.415 13.471 1.527 1.00 0.63 H new ATOM 0 HA VAL A 50 0.265 12.705 -0.086 1.00 0.60 H new ATOM 0 HB VAL A 50 2.089 12.068 -1.714 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.993 14.356 -1.926 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.248 14.364 -1.575 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.417 14.727 -0.283 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.426 12.528 -1.104 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.923 12.831 0.577 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.732 11.209 -0.131 1.00 0.62 H new ATOM 831 N LEU A 51 1.647 10.273 1.482 1.00 0.52 N ATOM 832 CA LEU A 51 1.603 8.843 1.738 1.00 0.50 C ATOM 833 C LEU A 51 0.408 8.489 2.614 1.00 0.53 C ATOM 834 O LEU A 51 -0.301 7.519 2.348 1.00 0.55 O ATOM 835 CB LEU A 51 2.898 8.383 2.413 1.00 0.48 C ATOM 836 CG LEU A 51 4.186 8.762 1.680 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.390 8.505 2.570 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.311 7.986 0.376 1.00 0.47 C ATOM 0 H LEU A 51 2.114 10.816 2.208 1.00 0.52 H new ATOM 0 HA LEU A 51 1.499 8.330 0.782 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.934 8.803 3.418 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.867 7.299 2.522 1.00 0.48 H new ATOM 0 HG LEU A 51 4.149 9.825 1.441 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.301 8.778 2.038 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.306 9.104 3.477 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.428 7.448 2.835 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.234 8.270 -0.130 1.00 0.47 H new ATOM 0 HD22 LEU A 51 4.328 6.917 0.589 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.460 8.214 -0.266 1.00 0.47 H new ATOM 850 N ARG A 52 0.172 9.290 3.650 1.00 0.59 N ATOM 851 CA ARG A 52 -0.938 9.040 4.567 1.00 0.66 C ATOM 852 C ARG A 52 -2.290 9.263 3.886 1.00 0.65 C ATOM 853 O ARG A 52 -3.280 8.628 4.240 1.00 0.69 O ATOM 854 CB ARG A 52 -0.824 9.911 5.824 1.00 0.79 C ATOM 855 CG ARG A 52 -0.796 11.406 5.546 1.00 0.97 C ATOM 856 CD ARG A 52 -2.069 12.090 6.014 1.00 1.22 C ATOM 857 NE ARG A 52 -2.152 12.144 7.475 1.00 1.50 N ATOM 858 CZ ARG A 52 -3.097 12.799 8.147 1.00 1.90 C ATOM 859 NH1 ARG A 52 -4.067 13.426 7.496 1.00 2.00 N ATOM 860 NH2 ARG A 52 -3.080 12.811 9.474 1.00 2.61 N ATOM 0 H ARG A 52 0.731 10.113 3.875 1.00 0.59 H new ATOM 0 HA ARG A 52 -0.879 7.993 4.866 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -1.664 9.691 6.482 1.00 0.79 H new ATOM 0 HB3 ARG A 52 0.083 9.636 6.362 1.00 0.79 H new ATOM 0 HG2 ARG A 52 0.062 11.853 6.047 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -0.664 11.575 4.477 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.108 13.102 5.610 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -2.934 11.556 5.620 1.00 1.22 H new ATOM 0 HE ARG A 52 -1.441 11.648 8.012 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -4.092 13.408 6.476 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -4.789 13.926 8.015 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -2.343 12.319 9.979 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -3.804 13.313 9.989 1.00 2.61 H new ATOM 874 N GLU A 53 -2.327 10.153 2.897 1.00 0.64 N ATOM 875 CA GLU A 53 -3.568 10.430 2.180 1.00 0.68 C ATOM 876 C GLU A 53 -3.833 9.342 1.141 1.00 0.65 C ATOM 877 O GLU A 53 -4.821 9.386 0.406 1.00 0.78 O ATOM 878 CB GLU A 53 -3.522 11.813 1.523 1.00 0.72 C ATOM 879 CG GLU A 53 -2.605 11.900 0.316 1.00 0.67 C ATOM 880 CD GLU A 53 -2.567 13.288 -0.285 1.00 0.81 C ATOM 881 OE1 GLU A 53 -3.603 13.984 -0.260 1.00 1.35 O ATOM 882 OE2 GLU A 53 -1.504 13.688 -0.799 1.00 1.26 O ATOM 0 H GLU A 53 -1.521 10.689 2.577 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.389 10.429 2.897 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.531 12.092 1.219 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.199 12.544 2.264 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.597 11.607 0.608 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.937 11.189 -0.441 1.00 0.67 H new ATOM 889 N GLN A 54 -2.928 8.374 1.082 1.00 0.57 N ATOM 890 CA GLN A 54 -3.044 7.253 0.161 1.00 0.58 C ATOM 891 C GLN A 54 -2.997 5.945 0.946 1.00 0.57 C ATOM 892 O GLN A 54 -2.861 4.862 0.378 1.00 0.60 O ATOM 893 CB GLN A 54 -1.913 7.292 -0.869 1.00 0.57 C ATOM 894 CG GLN A 54 -1.939 8.521 -1.765 1.00 0.64 C ATOM 895 CD GLN A 54 -3.041 8.470 -2.802 1.00 0.81 C ATOM 896 OE1 GLN A 54 -2.840 7.973 -3.911 1.00 1.13 O ATOM 897 NE2 GLN A 54 -4.211 8.977 -2.453 1.00 0.96 N ATOM 0 H GLN A 54 -2.095 8.344 1.670 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.994 7.322 -0.369 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.957 7.255 -0.346 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.970 6.399 -1.491 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -2.067 9.411 -1.149 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.977 8.618 -2.269 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -4.336 9.379 -1.524 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.989 8.966 -3.113 1.00 0.96 H new ATOM 906 N ALA A 55 -3.126 6.065 2.262 1.00 0.58 N ATOM 907 CA ALA A 55 -3.090 4.915 3.154 1.00 0.60 C ATOM 908 C ALA A 55 -4.302 4.020 2.945 1.00 0.61 C ATOM 909 O ALA A 55 -5.441 4.429 3.183 1.00 0.68 O ATOM 910 CB ALA A 55 -3.018 5.372 4.601 1.00 0.65 C ATOM 0 H ALA A 55 -3.258 6.958 2.738 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.197 4.335 2.920 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.992 4.502 5.257 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -2.117 5.966 4.750 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.894 5.977 4.836 1.00 0.65 H new ATOM 916 N GLY A 56 -4.048 2.794 2.517 1.00 0.59 N ATOM 917 CA GLY A 56 -5.123 1.857 2.270 1.00 0.64 C ATOM 918 C GLY A 56 -5.799 2.113 0.937 1.00 0.62 C ATOM 919 O GLY A 56 -6.922 1.670 0.705 1.00 0.66 O ATOM 0 H GLY A 56 -3.113 2.430 2.336 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -4.730 0.840 2.289 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -5.859 1.929 3.071 1.00 0.64 H new ATOM 923 N GLY A 57 -5.111 2.830 0.064 1.00 0.63 N ATOM 924 CA GLY A 57 -5.652 3.139 -1.240 1.00 0.65 C ATOM 925 C GLY A 57 -4.677 2.813 -2.345 1.00 0.59 C ATOM 926 O GLY A 57 -3.510 2.506 -2.080 1.00 0.55 O ATOM 0 H GLY A 57 -4.179 3.206 0.238 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.574 2.579 -1.393 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.911 4.197 -1.284 1.00 0.65 H new ATOM 930 N ASP A 58 -5.153 2.873 -3.579 1.00 0.65 N ATOM 931 CA ASP A 58 -4.316 2.586 -4.734 1.00 0.62 C ATOM 932 C ASP A 58 -3.576 3.840 -5.180 1.00 0.61 C ATOM 933 O ASP A 58 -4.183 4.804 -5.647 1.00 0.71 O ATOM 934 CB ASP A 58 -5.159 2.029 -5.884 1.00 0.69 C ATOM 935 CG ASP A 58 -4.326 1.632 -7.090 1.00 0.99 C ATOM 936 OD1 ASP A 58 -3.114 1.386 -6.930 1.00 1.32 O ATOM 937 OD2 ASP A 58 -4.889 1.556 -8.206 1.00 1.51 O ATOM 0 H ASP A 58 -6.116 3.118 -3.807 1.00 0.65 H new ATOM 0 HA ASP A 58 -3.582 1.833 -4.447 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -5.716 1.161 -5.532 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -5.892 2.777 -6.186 1.00 0.69 H new ATOM 942 N ALA A 59 -2.260 3.821 -5.025 1.00 0.55 N ATOM 943 CA ALA A 59 -1.429 4.950 -5.399 1.00 0.57 C ATOM 944 C ALA A 59 -0.551 4.598 -6.592 1.00 0.54 C ATOM 945 O ALA A 59 0.482 5.230 -6.823 1.00 0.54 O ATOM 946 CB ALA A 59 -0.577 5.393 -4.220 1.00 0.60 C ATOM 0 H ALA A 59 -1.745 3.029 -4.640 1.00 0.55 H new ATOM 0 HA ALA A 59 -2.079 5.777 -5.686 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.041 6.241 -4.516 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -1.224 5.687 -3.393 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.064 4.570 -3.904 1.00 0.60 H new ATOM 952 N THR A 60 -0.979 3.588 -7.349 1.00 0.56 N ATOM 953 CA THR A 60 -0.255 3.134 -8.533 1.00 0.57 C ATOM 954 C THR A 60 0.080 4.301 -9.459 1.00 0.57 C ATOM 955 O THR A 60 1.230 4.472 -9.865 1.00 0.58 O ATOM 956 CB THR A 60 -1.085 2.080 -9.301 1.00 0.64 C ATOM 957 OG1 THR A 60 -1.205 0.889 -8.510 1.00 0.67 O ATOM 958 CG2 THR A 60 -0.459 1.742 -10.649 1.00 0.71 C ATOM 0 H THR A 60 -1.834 3.064 -7.159 1.00 0.56 H new ATOM 0 HA THR A 60 0.679 2.682 -8.197 1.00 0.57 H new ATOM 0 HB THR A 60 -2.072 2.503 -9.488 1.00 0.64 H new ATOM 0 HG1 THR A 60 -2.056 0.904 -8.023 1.00 0.67 H new ATOM 0 HG21 THR A 60 -1.071 0.998 -11.158 1.00 0.71 H new ATOM 0 HG22 THR A 60 -0.401 2.643 -11.259 1.00 0.71 H new ATOM 0 HG23 THR A 60 0.543 1.343 -10.495 1.00 0.71 H new ATOM 966 N GLU A 61 -0.927 5.117 -9.757 1.00 0.62 N ATOM 967 CA GLU A 61 -0.757 6.268 -10.639 1.00 0.67 C ATOM 968 C GLU A 61 0.307 7.229 -10.110 1.00 0.63 C ATOM 969 O GLU A 61 1.240 7.576 -10.821 1.00 0.74 O ATOM 970 CB GLU A 61 -2.095 7.000 -10.825 1.00 0.78 C ATOM 971 CG GLU A 61 -2.870 7.210 -9.529 1.00 0.83 C ATOM 972 CD GLU A 61 -4.209 7.888 -9.742 1.00 1.06 C ATOM 973 OE1 GLU A 61 -5.135 7.232 -10.272 1.00 1.48 O ATOM 974 OE2 GLU A 61 -4.352 9.069 -9.370 1.00 1.64 O ATOM 0 H GLU A 61 -1.875 5.001 -9.398 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.417 5.898 -11.606 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.906 7.970 -11.285 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.715 6.433 -11.520 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -3.030 6.245 -9.048 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -2.269 7.811 -8.846 1.00 0.83 H new ATOM 981 N ASN A 62 0.179 7.618 -8.846 1.00 0.56 N ATOM 982 CA ASN A 62 1.112 8.557 -8.219 1.00 0.55 C ATOM 983 C ASN A 62 2.547 8.036 -8.222 1.00 0.50 C ATOM 984 O ASN A 62 3.491 8.796 -8.433 1.00 0.50 O ATOM 985 CB ASN A 62 0.676 8.851 -6.781 1.00 0.58 C ATOM 986 CG ASN A 62 -0.281 10.025 -6.687 1.00 0.82 C ATOM 987 OD1 ASN A 62 -0.173 10.990 -7.444 1.00 1.28 O ATOM 988 ND2 ASN A 62 -1.228 9.951 -5.758 1.00 1.32 N ATOM 0 H ASN A 62 -0.567 7.297 -8.229 1.00 0.56 H new ATOM 0 HA ASN A 62 1.091 9.473 -8.809 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.199 7.965 -6.362 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.557 9.057 -6.173 1.00 0.58 H new ATOM 0 HD21 ASN A 62 -1.900 10.711 -5.653 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -1.283 9.134 -5.150 1.00 1.32 H new ATOM 995 N PHE A 63 2.701 6.735 -8.008 1.00 0.48 N ATOM 996 CA PHE A 63 4.020 6.105 -7.956 1.00 0.46 C ATOM 997 C PHE A 63 4.797 6.264 -9.264 1.00 0.49 C ATOM 998 O PHE A 63 5.945 6.719 -9.265 1.00 0.50 O ATOM 999 CB PHE A 63 3.865 4.618 -7.617 1.00 0.48 C ATOM 1000 CG PHE A 63 5.147 3.945 -7.212 1.00 0.51 C ATOM 1001 CD1 PHE A 63 5.744 4.237 -5.996 1.00 0.63 C ATOM 1002 CD2 PHE A 63 5.754 3.020 -8.043 1.00 0.70 C ATOM 1003 CE1 PHE A 63 6.922 3.619 -5.619 1.00 0.76 C ATOM 1004 CE2 PHE A 63 6.932 2.398 -7.673 1.00 0.77 C ATOM 1005 CZ PHE A 63 7.517 2.699 -6.459 1.00 0.73 C ATOM 0 H PHE A 63 1.924 6.089 -7.866 1.00 0.48 H new ATOM 0 HA PHE A 63 4.594 6.610 -7.179 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.141 4.514 -6.809 1.00 0.48 H new ATOM 0 HB3 PHE A 63 3.453 4.100 -8.483 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.284 4.956 -5.335 1.00 0.63 H new ATOM 0 HD2 PHE A 63 5.301 2.781 -8.994 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.376 3.856 -4.668 1.00 0.76 H new ATOM 0 HE2 PHE A 63 7.394 1.678 -8.332 1.00 0.77 H new ATOM 0 HZ PHE A 63 8.438 2.216 -6.167 1.00 0.73 H new ATOM 1015 N GLU A 64 4.176 5.903 -10.377 1.00 0.53 N ATOM 1016 CA GLU A 64 4.844 5.990 -11.671 1.00 0.58 C ATOM 1017 C GLU A 64 4.719 7.378 -12.289 1.00 0.57 C ATOM 1018 O GLU A 64 5.471 7.723 -13.200 1.00 0.65 O ATOM 1019 CB GLU A 64 4.317 4.923 -12.631 1.00 0.69 C ATOM 1020 CG GLU A 64 2.835 4.640 -12.491 1.00 1.08 C ATOM 1021 CD GLU A 64 2.363 3.595 -13.473 1.00 1.47 C ATOM 1022 OE1 GLU A 64 1.992 3.972 -14.607 1.00 1.89 O ATOM 1023 OE2 GLU A 64 2.367 2.397 -13.123 1.00 1.88 O ATOM 0 H GLU A 64 3.220 5.550 -10.413 1.00 0.53 H new ATOM 0 HA GLU A 64 5.904 5.807 -11.496 1.00 0.58 H new ATOM 0 HB2 GLU A 64 4.520 5.239 -13.654 1.00 0.69 H new ATOM 0 HB3 GLU A 64 4.869 3.998 -12.467 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.624 4.304 -11.476 1.00 1.08 H new ATOM 0 HG3 GLU A 64 2.274 5.562 -12.645 1.00 1.08 H new ATOM 1030 N ASP A 65 3.774 8.174 -11.802 1.00 0.54 N ATOM 1031 CA ASP A 65 3.592 9.531 -12.316 1.00 0.55 C ATOM 1032 C ASP A 65 4.777 10.387 -11.905 1.00 0.53 C ATOM 1033 O ASP A 65 5.186 11.305 -12.617 1.00 0.58 O ATOM 1034 CB ASP A 65 2.299 10.150 -11.787 1.00 0.57 C ATOM 1035 CG ASP A 65 1.887 11.385 -12.564 1.00 0.69 C ATOM 1036 OD1 ASP A 65 1.329 11.240 -13.674 1.00 0.88 O ATOM 1037 OD2 ASP A 65 2.110 12.510 -12.067 1.00 0.79 O ATOM 0 H ASP A 65 3.127 7.909 -11.059 1.00 0.54 H new ATOM 0 HA ASP A 65 3.526 9.485 -13.403 1.00 0.55 H new ATOM 0 HB2 ASP A 65 1.500 9.411 -11.835 1.00 0.57 H new ATOM 0 HB3 ASP A 65 2.428 10.412 -10.737 1.00 0.57 H new ATOM 1042 N VAL A 66 5.312 10.080 -10.731 1.00 0.50 N ATOM 1043 CA VAL A 66 6.467 10.786 -10.202 1.00 0.52 C ATOM 1044 C VAL A 66 7.746 10.259 -10.844 1.00 0.50 C ATOM 1045 O VAL A 66 8.639 11.024 -11.202 1.00 0.55 O ATOM 1046 CB VAL A 66 6.568 10.627 -8.666 1.00 0.56 C ATOM 1047 CG1 VAL A 66 7.875 11.201 -8.141 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.384 11.290 -7.981 1.00 0.60 C ATOM 0 H VAL A 66 4.960 9.340 -10.124 1.00 0.50 H new ATOM 0 HA VAL A 66 6.343 11.843 -10.437 1.00 0.52 H new ATOM 0 HB VAL A 66 6.550 9.561 -8.437 1.00 0.56 H new ATOM 0 HG11 VAL A 66 7.919 11.076 -7.059 1.00 0.67 H new ATOM 0 HG12 VAL A 66 8.713 10.678 -8.601 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.931 12.262 -8.386 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.473 11.168 -6.902 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.370 12.352 -8.226 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.459 10.826 -8.324 1.00 0.60 H new ATOM 1058 N GLY A 67 7.817 8.945 -10.994 1.00 0.50 N ATOM 1059 CA GLY A 67 8.991 8.330 -11.573 1.00 0.54 C ATOM 1060 C GLY A 67 10.017 8.023 -10.503 1.00 0.54 C ATOM 1061 O GLY A 67 10.703 8.921 -10.018 1.00 0.82 O ATOM 0 H GLY A 67 7.080 8.293 -10.724 1.00 0.50 H new ATOM 0 HA2 GLY A 67 8.710 7.412 -12.088 1.00 0.54 H new ATOM 0 HA3 GLY A 67 9.425 8.995 -12.320 1.00 0.54 H new ATOM 1065 N HIS A 68 10.113 6.760 -10.124 1.00 0.45 N ATOM 1066 CA HIS A 68 11.040 6.344 -9.081 1.00 0.42 C ATOM 1067 C HIS A 68 12.264 5.674 -9.678 1.00 0.47 C ATOM 1068 O HIS A 68 12.163 4.949 -10.667 1.00 0.58 O ATOM 1069 CB HIS A 68 10.341 5.393 -8.106 1.00 0.39 C ATOM 1070 CG HIS A 68 9.482 6.100 -7.103 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.269 6.686 -7.401 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.690 6.323 -5.782 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.793 7.237 -6.278 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.617 7.044 -5.268 1.00 0.40 N ATOM 0 H HIS A 68 9.560 6.002 -10.523 1.00 0.45 H new ATOM 0 HA HIS A 68 11.368 7.232 -8.541 1.00 0.42 H new ATOM 0 HB2 HIS A 68 9.726 4.692 -8.671 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.093 4.805 -7.580 1.00 0.39 H new ATOM 0 HD1 HIS A 68 7.816 6.697 -8.315 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.551 5.994 -5.219 1.00 0.41 H new ATOM 0 HE1 HIS A 68 6.856 7.770 -6.209 1.00 0.35 H new ATOM 1082 N SER A 69 13.414 5.933 -9.075 1.00 0.45 N ATOM 1083 CA SER A 69 14.680 5.369 -9.521 1.00 0.50 C ATOM 1084 C SER A 69 14.634 3.842 -9.550 1.00 0.50 C ATOM 1085 O SER A 69 13.859 3.220 -8.816 1.00 0.46 O ATOM 1086 CB SER A 69 15.784 5.841 -8.584 1.00 0.55 C ATOM 1087 OG SER A 69 15.353 6.974 -7.850 1.00 1.01 O ATOM 0 H SER A 69 13.497 6.542 -8.261 1.00 0.45 H new ATOM 0 HA SER A 69 14.877 5.709 -10.538 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.058 5.038 -7.900 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.677 6.089 -9.158 1.00 0.55 H new ATOM 0 HG SER A 69 15.178 6.715 -6.921 1.00 1.01 H new ATOM 1093 N THR A 70 15.479 3.242 -10.381 1.00 0.59 N ATOM 1094 CA THR A 70 15.534 1.795 -10.506 1.00 0.64 C ATOM 1095 C THR A 70 15.881 1.134 -9.175 1.00 0.61 C ATOM 1096 O THR A 70 15.344 0.083 -8.833 1.00 0.66 O ATOM 1097 CB THR A 70 16.559 1.379 -11.572 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.420 2.489 -11.877 1.00 0.89 O ATOM 1099 CG2 THR A 70 15.854 0.910 -12.836 1.00 1.08 C ATOM 0 H THR A 70 16.137 3.741 -10.980 1.00 0.59 H new ATOM 0 HA THR A 70 14.544 1.458 -10.812 1.00 0.64 H new ATOM 0 HB THR A 70 17.155 0.555 -11.180 1.00 0.78 H new ATOM 0 HG1 THR A 70 18.073 2.219 -12.556 1.00 0.89 H new ATOM 0 HG21 THR A 70 16.596 0.619 -13.580 1.00 1.08 H new ATOM 0 HG22 THR A 70 15.220 0.055 -12.603 1.00 1.08 H new ATOM 0 HG23 THR A 70 15.241 1.719 -13.232 1.00 1.08 H new ATOM 1107 N ASP A 71 16.761 1.765 -8.412 1.00 0.60 N ATOM 1108 CA ASP A 71 17.158 1.225 -7.118 1.00 0.61 C ATOM 1109 C ASP A 71 16.056 1.456 -6.088 1.00 0.54 C ATOM 1110 O ASP A 71 15.893 0.677 -5.145 1.00 0.56 O ATOM 1111 CB ASP A 71 18.466 1.862 -6.647 1.00 0.70 C ATOM 1112 CG ASP A 71 19.247 0.957 -5.717 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.015 1.006 -4.492 1.00 1.29 O ATOM 1114 OD2 ASP A 71 20.111 0.196 -6.209 1.00 1.38 O ATOM 0 H ASP A 71 17.212 2.645 -8.663 1.00 0.60 H new ATOM 0 HA ASP A 71 17.317 0.152 -7.227 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.081 2.106 -7.513 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.247 2.800 -6.137 1.00 0.70 H new ATOM 1119 N ALA A 72 15.285 2.521 -6.296 1.00 0.48 N ATOM 1120 CA ALA A 72 14.190 2.873 -5.398 1.00 0.44 C ATOM 1121 C ALA A 72 13.086 1.827 -5.447 1.00 0.42 C ATOM 1122 O ALA A 72 12.599 1.375 -4.408 1.00 0.43 O ATOM 1123 CB ALA A 72 13.629 4.245 -5.744 1.00 0.47 C ATOM 0 H ALA A 72 15.400 3.158 -7.084 1.00 0.48 H new ATOM 0 HA ALA A 72 14.588 2.905 -4.384 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.814 4.487 -5.062 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.415 4.994 -5.650 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.255 4.238 -6.768 1.00 0.47 H new ATOM 1129 N ARG A 73 12.693 1.433 -6.657 1.00 0.44 N ATOM 1130 CA ARG A 73 11.646 0.430 -6.822 1.00 0.48 C ATOM 1131 C ARG A 73 12.116 -0.913 -6.270 1.00 0.49 C ATOM 1132 O ARG A 73 11.325 -1.682 -5.727 1.00 0.56 O ATOM 1133 CB ARG A 73 11.219 0.298 -8.294 1.00 0.54 C ATOM 1134 CG ARG A 73 12.359 0.016 -9.262 1.00 0.68 C ATOM 1135 CD ARG A 73 12.354 -1.427 -9.743 1.00 0.74 C ATOM 1136 NE ARG A 73 11.150 -1.741 -10.507 1.00 0.90 N ATOM 1137 CZ ARG A 73 10.677 -2.975 -10.676 1.00 1.08 C ATOM 1138 NH1 ARG A 73 11.311 -4.016 -10.152 1.00 1.08 N ATOM 1139 NH2 ARG A 73 9.571 -3.169 -11.382 1.00 1.36 N ATOM 0 H ARG A 73 13.081 1.790 -7.530 1.00 0.44 H new ATOM 0 HA ARG A 73 10.772 0.756 -6.258 1.00 0.48 H new ATOM 0 HB2 ARG A 73 10.485 -0.503 -8.375 1.00 0.54 H new ATOM 0 HB3 ARG A 73 10.721 1.219 -8.598 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.280 0.684 -10.119 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.310 0.233 -8.775 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.234 -1.607 -10.361 1.00 0.74 H new ATOM 0 HD3 ARG A 73 12.425 -2.096 -8.885 1.00 0.74 H new ATOM 0 HE ARG A 73 10.640 -0.969 -10.937 1.00 0.90 H new ATOM 0 HH11 ARG A 73 12.167 -3.875 -9.615 1.00 1.08 H new ATOM 0 HH12 ARG A 73 10.943 -4.958 -10.286 1.00 1.08 H new ATOM 0 HH21 ARG A 73 9.083 -2.374 -11.795 1.00 1.36 H new ATOM 0 HH22 ARG A 73 9.208 -4.113 -11.512 1.00 1.36 H new ATOM 1153 N GLU A 74 13.412 -1.180 -6.391 1.00 0.47 N ATOM 1154 CA GLU A 74 13.982 -2.420 -5.883 1.00 0.51 C ATOM 1155 C GLU A 74 14.024 -2.389 -4.354 1.00 0.49 C ATOM 1156 O GLU A 74 13.917 -3.420 -3.695 1.00 0.55 O ATOM 1157 CB GLU A 74 15.391 -2.639 -6.441 1.00 0.57 C ATOM 1158 CG GLU A 74 15.425 -2.952 -7.927 1.00 0.65 C ATOM 1159 CD GLU A 74 14.721 -4.250 -8.266 1.00 0.75 C ATOM 1160 OE1 GLU A 74 15.226 -5.326 -7.875 1.00 1.01 O ATOM 1161 OE2 GLU A 74 13.663 -4.200 -8.926 1.00 0.84 O ATOM 0 H GLU A 74 14.085 -0.556 -6.835 1.00 0.47 H new ATOM 0 HA GLU A 74 13.351 -3.247 -6.208 1.00 0.51 H new ATOM 0 HB2 GLU A 74 15.987 -1.746 -6.254 1.00 0.57 H new ATOM 0 HB3 GLU A 74 15.863 -3.457 -5.897 1.00 0.57 H new ATOM 0 HG2 GLU A 74 14.958 -2.135 -8.477 1.00 0.65 H new ATOM 0 HG3 GLU A 74 16.462 -3.008 -8.259 1.00 0.65 H new ATOM 1168 N LEU A 75 14.178 -1.194 -3.800 1.00 0.47 N ATOM 1169 CA LEU A 75 14.224 -1.012 -2.356 1.00 0.48 C ATOM 1170 C LEU A 75 12.843 -1.230 -1.745 1.00 0.43 C ATOM 1171 O LEU A 75 12.714 -1.660 -0.597 1.00 0.44 O ATOM 1172 CB LEU A 75 14.735 0.392 -2.021 1.00 0.53 C ATOM 1173 CG LEU A 75 14.892 0.691 -0.531 1.00 0.56 C ATOM 1174 CD1 LEU A 75 16.029 -0.125 0.064 1.00 0.65 C ATOM 1175 CD2 LEU A 75 15.124 2.179 -0.307 1.00 0.61 C ATOM 0 H LEU A 75 14.274 -0.330 -4.334 1.00 0.47 H new ATOM 0 HA LEU A 75 14.908 -1.748 -1.934 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.700 0.535 -2.507 1.00 0.53 H new ATOM 0 HB3 LEU A 75 14.050 1.122 -2.451 1.00 0.53 H new ATOM 0 HG LEU A 75 13.969 0.407 -0.025 1.00 0.56 H new ATOM 0 HD11 LEU A 75 16.124 0.103 1.126 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.819 -1.187 -0.062 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.960 0.124 -0.445 1.00 0.65 H new ATOM 0 HD21 LEU A 75 15.234 2.374 0.760 1.00 0.61 H new ATOM 0 HD22 LEU A 75 16.031 2.488 -0.827 1.00 0.61 H new ATOM 0 HD23 LEU A 75 14.274 2.742 -0.693 1.00 0.61 H new ATOM 1187 N SER A 76 11.813 -0.962 -2.536 1.00 0.45 N ATOM 1188 CA SER A 76 10.434 -1.119 -2.089 1.00 0.46 C ATOM 1189 C SER A 76 10.080 -2.597 -1.919 1.00 0.43 C ATOM 1190 O SER A 76 9.067 -2.942 -1.312 1.00 0.45 O ATOM 1191 CB SER A 76 9.482 -0.462 -3.092 1.00 0.55 C ATOM 1192 OG SER A 76 9.931 0.837 -3.447 1.00 0.82 O ATOM 0 H SER A 76 11.907 -0.633 -3.497 1.00 0.45 H new ATOM 0 HA SER A 76 10.329 -0.630 -1.121 1.00 0.46 H new ATOM 0 HB2 SER A 76 9.407 -1.081 -3.986 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.482 -0.400 -2.662 1.00 0.55 H new ATOM 0 HG SER A 76 10.802 0.772 -3.891 1.00 0.82 H new ATOM 1198 N LYS A 77 10.942 -3.461 -2.441 1.00 0.45 N ATOM 1199 CA LYS A 77 10.743 -4.905 -2.370 1.00 0.51 C ATOM 1200 C LYS A 77 10.799 -5.409 -0.928 1.00 0.47 C ATOM 1201 O LYS A 77 10.276 -6.475 -0.614 1.00 0.56 O ATOM 1202 CB LYS A 77 11.806 -5.607 -3.212 1.00 0.63 C ATOM 1203 CG LYS A 77 11.631 -7.110 -3.315 1.00 0.94 C ATOM 1204 CD LYS A 77 12.773 -7.733 -4.092 1.00 1.20 C ATOM 1205 CE LYS A 77 12.555 -9.217 -4.307 1.00 1.60 C ATOM 1206 NZ LYS A 77 13.565 -9.786 -5.236 1.00 1.89 N ATOM 0 H LYS A 77 11.796 -3.183 -2.924 1.00 0.45 H new ATOM 0 HA LYS A 77 9.752 -5.133 -2.762 1.00 0.51 H new ATOM 0 HB2 LYS A 77 11.796 -5.183 -4.216 1.00 0.63 H new ATOM 0 HB3 LYS A 77 12.787 -5.396 -2.787 1.00 0.63 H new ATOM 0 HG2 LYS A 77 11.585 -7.544 -2.316 1.00 0.94 H new ATOM 0 HG3 LYS A 77 10.685 -7.338 -3.806 1.00 0.94 H new ATOM 0 HD2 LYS A 77 12.872 -7.235 -5.057 1.00 1.20 H new ATOM 0 HD3 LYS A 77 13.708 -7.576 -3.555 1.00 1.20 H new ATOM 0 HE2 LYS A 77 12.606 -9.736 -3.350 1.00 1.60 H new ATOM 0 HE3 LYS A 77 11.555 -9.385 -4.707 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 13.387 -10.803 -5.361 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 13.499 -9.307 -6.157 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 14.517 -9.647 -4.841 1.00 1.89 H new ATOM 1220 N THR A 78 11.427 -4.647 -0.051 1.00 0.42 N ATOM 1221 CA THR A 78 11.525 -5.050 1.338 1.00 0.48 C ATOM 1222 C THR A 78 10.299 -4.587 2.130 1.00 0.43 C ATOM 1223 O THR A 78 10.063 -5.043 3.251 1.00 0.53 O ATOM 1224 CB THR A 78 12.829 -4.520 1.983 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.304 -5.450 2.966 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.629 -3.154 2.628 1.00 0.63 C ATOM 0 H THR A 78 11.872 -3.756 -0.273 1.00 0.42 H new ATOM 0 HA THR A 78 11.556 -6.139 1.367 1.00 0.48 H new ATOM 0 HB THR A 78 13.567 -4.412 1.188 1.00 0.59 H new ATOM 0 HG1 THR A 78 14.130 -5.108 3.368 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.568 -2.819 3.069 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.307 -2.438 1.872 1.00 0.63 H new ATOM 0 HG23 THR A 78 11.869 -3.227 3.406 1.00 0.63 H new ATOM 1234 N PHE A 79 9.498 -3.714 1.526 1.00 0.36 N ATOM 1235 CA PHE A 79 8.313 -3.186 2.189 1.00 0.38 C ATOM 1236 C PHE A 79 7.055 -3.961 1.806 1.00 0.32 C ATOM 1237 O PHE A 79 6.016 -3.813 2.447 1.00 0.33 O ATOM 1238 CB PHE A 79 8.120 -1.707 1.848 1.00 0.46 C ATOM 1239 CG PHE A 79 9.220 -0.813 2.349 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.641 -0.877 3.667 1.00 1.10 C ATOM 1241 CD2 PHE A 79 9.833 0.089 1.499 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.653 -0.056 4.127 1.00 1.16 C ATOM 1243 CE2 PHE A 79 10.846 0.914 1.951 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.256 0.841 3.268 1.00 0.70 C ATOM 0 H PHE A 79 9.648 -3.359 0.582 1.00 0.36 H new ATOM 0 HA PHE A 79 8.471 -3.297 3.262 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.045 -1.601 0.766 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.172 -1.369 2.267 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.173 -1.577 4.343 1.00 1.10 H new ATOM 0 HD2 PHE A 79 9.516 0.150 0.468 1.00 0.96 H new ATOM 0 HE1 PHE A 79 10.972 -0.116 5.157 1.00 1.16 H new ATOM 0 HE2 PHE A 79 11.316 1.614 1.276 1.00 1.01 H new ATOM 0 HZ PHE A 79 12.047 1.484 3.625 1.00 0.70 H new ATOM 1254 N ILE A 80 7.138 -4.782 0.766 1.00 0.38 N ATOM 1255 CA ILE A 80 5.979 -5.551 0.331 1.00 0.36 C ATOM 1256 C ILE A 80 5.623 -6.627 1.358 1.00 0.33 C ATOM 1257 O ILE A 80 6.474 -7.413 1.779 1.00 0.42 O ATOM 1258 CB ILE A 80 6.184 -6.190 -1.069 1.00 0.46 C ATOM 1259 CG1 ILE A 80 4.884 -6.846 -1.546 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.319 -7.202 -1.056 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.990 -7.513 -2.900 1.00 0.72 C ATOM 0 H ILE A 80 7.983 -4.931 0.215 1.00 0.38 H new ATOM 0 HA ILE A 80 5.149 -4.849 0.249 1.00 0.36 H new ATOM 0 HB ILE A 80 6.456 -5.397 -1.766 1.00 0.46 H new ATOM 0 HG12 ILE A 80 4.573 -7.588 -0.811 1.00 0.46 H new ATOM 0 HG13 ILE A 80 4.101 -6.089 -1.586 1.00 0.46 H new ATOM 0 HG21 ILE A 80 7.436 -7.630 -2.051 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.245 -6.707 -0.763 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.091 -7.995 -0.344 1.00 0.58 H new ATOM 0 HD11 ILE A 80 4.029 -7.953 -3.165 1.00 0.72 H new ATOM 0 HD12 ILE A 80 5.269 -6.773 -3.649 1.00 0.72 H new ATOM 0 HD13 ILE A 80 5.749 -8.295 -2.862 1.00 0.72 H new ATOM 1273 N ILE A 81 4.371 -6.623 1.794 1.00 0.28 N ATOM 1274 CA ILE A 81 3.907 -7.600 2.768 1.00 0.32 C ATOM 1275 C ILE A 81 3.005 -8.634 2.107 1.00 0.29 C ATOM 1276 O ILE A 81 2.827 -9.740 2.620 1.00 0.31 O ATOM 1277 CB ILE A 81 3.151 -6.941 3.941 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.072 -5.985 3.422 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.127 -6.210 4.851 1.00 0.43 C ATOM 1280 CD1 ILE A 81 1.111 -5.515 4.493 1.00 0.77 C ATOM 0 H ILE A 81 3.661 -5.957 1.490 1.00 0.28 H new ATOM 0 HA ILE A 81 4.796 -8.088 3.168 1.00 0.32 H new ATOM 0 HB ILE A 81 2.658 -7.723 4.519 1.00 0.42 H new ATOM 0 HG12 ILE A 81 2.554 -5.117 2.972 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.508 -6.482 2.632 1.00 0.50 H new ATOM 0 HG21 ILE A 81 3.581 -5.749 5.675 1.00 0.43 H new ATOM 0 HG22 ILE A 81 4.854 -6.918 5.248 1.00 0.43 H new ATOM 0 HG23 ILE A 81 4.646 -5.438 4.283 1.00 0.43 H new ATOM 0 HD11 ILE A 81 0.376 -4.842 4.052 1.00 0.77 H new ATOM 0 HD12 ILE A 81 0.601 -6.375 4.927 1.00 0.77 H new ATOM 0 HD13 ILE A 81 1.663 -4.989 5.272 1.00 0.77 H new ATOM 1292 N GLY A 82 2.447 -8.279 0.957 1.00 0.32 N ATOM 1293 CA GLY A 82 1.578 -9.193 0.256 1.00 0.35 C ATOM 1294 C GLY A 82 0.840 -8.542 -0.888 1.00 0.31 C ATOM 1295 O GLY A 82 1.158 -7.421 -1.292 1.00 0.34 O ATOM 0 H GLY A 82 2.582 -7.377 0.501 1.00 0.32 H new ATOM 0 HA2 GLY A 82 2.168 -10.026 -0.126 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.855 -9.610 0.958 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.158 -9.242 -1.403 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.949 -8.751 -2.517 1.00 0.31 C ATOM 1301 C GLU A 83 -2.427 -9.005 -2.266 1.00 0.32 C ATOM 1302 O GLU A 83 -2.806 -9.569 -1.237 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.534 -9.449 -3.814 1.00 0.37 C ATOM 1304 CG GLU A 83 0.917 -9.230 -4.197 1.00 0.61 C ATOM 1305 CD GLU A 83 1.300 -9.987 -5.449 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.852 -9.588 -6.544 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.039 -10.983 -5.344 1.00 0.86 O ATOM 0 H GLU A 83 -0.440 -10.161 -1.062 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.775 -7.679 -2.612 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.714 -10.519 -3.712 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.170 -9.094 -4.625 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.093 -8.165 -4.350 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.559 -9.544 -3.374 1.00 0.61 H new ATOM 1314 N LEU A 84 -3.255 -8.592 -3.214 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.692 -8.789 -3.118 1.00 0.44 C ATOM 1316 C LEU A 84 -5.074 -10.071 -3.846 1.00 0.40 C ATOM 1317 O LEU A 84 -4.247 -10.668 -4.535 1.00 0.39 O ATOM 1318 CB LEU A 84 -5.453 -7.600 -3.727 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.429 -6.290 -2.922 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -5.657 -6.551 -1.439 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -4.120 -5.543 -3.147 1.00 0.87 C ATOM 0 H LEU A 84 -2.953 -8.115 -4.064 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.964 -8.864 -2.065 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -5.041 -7.401 -4.716 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -6.493 -7.896 -3.868 1.00 0.52 H new ATOM 0 HG LEU A 84 -6.246 -5.662 -3.278 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -5.635 -5.606 -0.896 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -6.627 -7.028 -1.298 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -4.873 -7.206 -1.060 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -4.124 -4.619 -2.568 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -3.285 -6.167 -2.828 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -4.013 -5.307 -4.206 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.321 -10.488 -3.706 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.789 -11.701 -4.367 1.00 0.48 C ATOM 1335 C HIS A 85 -7.004 -11.431 -5.849 1.00 0.42 C ATOM 1336 O HIS A 85 -7.199 -10.281 -6.246 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.105 -12.190 -3.753 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.108 -12.230 -2.262 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -8.777 -11.304 -1.498 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.528 -13.090 -1.394 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -8.609 -11.590 -0.221 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.856 -12.669 -0.131 1.00 1.10 N ATOM 0 H HIS A 85 -7.026 -10.010 -3.145 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.030 -12.472 -4.233 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.913 -11.540 -4.089 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.320 -13.189 -4.132 1.00 0.61 H new ATOM 0 HD1 HIS A 85 -9.318 -10.519 -1.861 1.00 1.22 H new ATOM 0 HD2 HIS A 85 -6.921 -13.947 -1.648 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.019 -11.035 0.610 1.00 1.48 H new ATOM 1351 N PRO A 86 -6.962 -12.474 -6.697 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.191 -12.318 -8.134 1.00 0.44 C ATOM 1353 C PRO A 86 -8.577 -11.742 -8.411 1.00 0.40 C ATOM 1354 O PRO A 86 -8.800 -11.079 -9.423 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.077 -13.746 -8.688 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.215 -14.642 -7.504 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.665 -13.873 -6.338 1.00 0.53 C ATOM 0 HA PRO A 86 -6.483 -11.629 -8.594 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -7.856 -13.945 -9.424 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.120 -13.899 -9.187 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.258 -14.911 -7.337 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.666 -15.572 -7.652 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.144 -14.160 -5.402 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.595 -14.040 -6.213 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.502 -11.994 -7.490 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.870 -11.502 -7.604 1.00 0.43 C ATOM 1367 C ASP A 87 -10.906 -9.989 -7.440 1.00 0.41 C ATOM 1368 O ASP A 87 -11.635 -9.291 -8.146 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.764 -12.143 -6.536 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.572 -13.638 -6.425 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.661 -14.069 -5.683 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -12.336 -14.388 -7.069 1.00 1.30 O ATOM 0 H ASP A 87 -9.326 -12.542 -6.648 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.241 -11.769 -8.593 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.554 -11.683 -5.570 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.808 -11.933 -6.770 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.087 -9.490 -6.527 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.026 -8.061 -6.235 1.00 0.50 C ATOM 1379 C ASP A 88 -9.088 -7.339 -7.195 1.00 0.49 C ATOM 1380 O ASP A 88 -8.815 -6.152 -7.028 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.540 -7.825 -4.799 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.354 -8.568 -3.756 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.586 -8.378 -3.706 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -9.758 -9.352 -2.978 1.00 1.20 O ATOM 0 H ASP A 88 -9.449 -10.057 -5.969 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.034 -7.663 -6.355 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.497 -8.132 -4.721 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.575 -6.757 -4.583 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.587 -8.047 -8.199 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.661 -7.437 -9.146 1.00 0.51 C ATOM 1391 C ARG A 89 -8.053 -7.673 -10.604 1.00 0.57 C ATOM 1392 O ARG A 89 -8.036 -6.744 -11.409 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.237 -7.949 -8.899 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.653 -7.495 -7.569 1.00 0.89 C ATOM 1395 CD ARG A 89 -4.144 -7.682 -7.519 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.763 -9.064 -7.230 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.506 -9.455 -7.020 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.526 -8.563 -7.004 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.226 -10.733 -6.798 1.00 0.81 N ATOM 0 H ARG A 89 -8.801 -9.028 -8.378 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.705 -6.361 -8.976 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.240 -9.038 -8.933 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -5.591 -7.606 -9.707 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.894 -6.445 -7.406 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -6.116 -8.058 -6.758 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -3.711 -7.381 -8.473 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.724 -7.025 -6.757 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.500 -9.768 -7.187 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.733 -7.575 -7.153 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.565 -8.864 -6.843 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -2.975 -11.425 -6.787 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.261 -11.023 -6.638 1.00 0.81 H new ATOM 1413 N SER A 90 -8.415 -8.903 -10.942 1.00 0.50 N ATOM 1414 CA SER A 90 -8.769 -9.236 -12.318 1.00 0.59 C ATOM 1415 C SER A 90 -10.252 -9.593 -12.482 1.00 0.57 C ATOM 1416 O SER A 90 -10.670 -10.050 -13.548 1.00 0.88 O ATOM 1417 CB SER A 90 -7.893 -10.398 -12.792 1.00 0.71 C ATOM 1418 OG SER A 90 -6.570 -10.270 -12.288 1.00 1.16 O ATOM 0 H SER A 90 -8.472 -9.684 -10.288 1.00 0.50 H new ATOM 0 HA SER A 90 -8.593 -8.350 -12.928 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.324 -11.343 -12.461 1.00 0.71 H new ATOM 0 HB3 SER A 90 -7.871 -10.422 -13.882 1.00 0.71 H new ATOM 0 HG SER A 90 -6.026 -11.023 -12.601 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.051 -9.389 -11.441 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.479 -9.699 -11.523 1.00 0.49 C ATOM 1426 C LYS A 91 -13.324 -8.474 -11.200 1.00 0.51 C ATOM 1427 O LYS A 91 -14.094 -8.011 -12.040 1.00 0.59 O ATOM 1428 CB LYS A 91 -12.854 -10.846 -10.584 1.00 0.47 C ATOM 1429 CG LYS A 91 -12.279 -12.191 -10.996 1.00 1.02 C ATOM 1430 CD LYS A 91 -12.905 -13.329 -10.204 1.00 1.09 C ATOM 1431 CE LYS A 91 -12.184 -14.644 -10.447 1.00 1.24 C ATOM 1432 NZ LYS A 91 -12.349 -15.121 -11.844 1.00 1.76 N ATOM 0 H LYS A 91 -10.744 -9.016 -10.542 1.00 0.52 H new ATOM 0 HA LYS A 91 -12.683 -10.008 -12.548 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.509 -10.607 -9.578 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -13.940 -10.925 -10.538 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -12.449 -12.350 -12.061 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -11.200 -12.189 -10.842 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -12.879 -13.090 -9.141 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -13.954 -13.432 -10.482 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -11.123 -14.521 -10.229 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -12.565 -15.399 -9.759 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -11.841 -16.020 -11.966 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -13.359 -15.264 -12.045 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -11.962 -14.413 -12.500 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.186 -7.969 -9.974 1.00 0.48 N ATOM 1447 CA LEU A 92 -13.929 -6.788 -9.517 1.00 0.55 C ATOM 1448 C LEU A 92 -15.436 -7.049 -9.504 1.00 0.58 C ATOM 1449 O LEU A 92 -16.242 -6.120 -9.562 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.609 -5.565 -10.392 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.418 -4.712 -9.937 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.633 -4.188 -8.525 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.122 -5.503 -10.022 1.00 0.90 C ATOM 0 H LEU A 92 -12.560 -8.362 -9.271 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.611 -6.578 -8.496 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.418 -5.909 -11.408 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.493 -4.929 -10.432 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.342 -3.857 -10.609 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -11.775 -3.586 -8.226 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.534 -3.575 -8.498 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.745 -5.027 -7.839 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.292 -4.877 -9.694 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.189 -6.382 -9.381 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -10.955 -5.818 -11.052 1.00 0.90 H new ATOM 1465 N SER A 93 -15.814 -8.316 -9.410 1.00 0.52 N ATOM 1466 CA SER A 93 -17.219 -8.698 -9.385 1.00 0.57 C ATOM 1467 C SER A 93 -17.710 -8.833 -7.947 1.00 0.58 C ATOM 1468 O SER A 93 -18.082 -9.919 -7.507 1.00 0.70 O ATOM 1469 CB SER A 93 -17.417 -10.015 -10.133 1.00 0.62 C ATOM 1470 OG SER A 93 -16.574 -10.079 -11.273 1.00 0.70 O ATOM 0 H SER A 93 -15.164 -9.100 -9.350 1.00 0.52 H new ATOM 0 HA SER A 93 -17.800 -7.919 -9.878 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.202 -10.852 -9.468 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.459 -10.111 -10.440 1.00 0.62 H new ATOM 0 HG SER A 93 -16.715 -10.931 -11.737 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.690 -7.726 -7.217 1.00 0.57 N ATOM 1477 CA LYS A 94 -18.122 -7.712 -5.825 1.00 0.60 C ATOM 1478 C LYS A 94 -18.879 -6.425 -5.511 1.00 0.71 C ATOM 1479 O LYS A 94 -18.479 -5.348 -5.956 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.912 -7.838 -4.891 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.233 -9.202 -4.939 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.843 -9.171 -4.326 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.898 -8.967 -2.823 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.561 -9.111 -2.199 1.00 0.93 N ATOM 0 H LYS A 94 -17.377 -6.821 -7.568 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.787 -8.561 -5.667 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -16.183 -7.071 -5.152 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -17.233 -7.639 -3.868 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.846 -9.931 -4.409 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.165 -9.536 -5.974 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.326 -10.105 -4.548 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.262 -8.369 -4.781 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.296 -7.976 -2.605 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -15.584 -9.690 -2.383 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.602 -8.785 -1.212 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -13.273 -10.110 -2.222 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -12.869 -8.539 -2.724 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.988 -6.523 -4.754 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.791 -5.355 -4.373 1.00 0.92 C ATOM 1500 C PRO A 95 -20.072 -4.480 -3.350 1.00 0.95 C ATOM 1501 O PRO A 95 -19.282 -4.975 -2.541 1.00 1.03 O ATOM 1502 CB PRO A 95 -22.052 -5.973 -3.762 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.632 -7.321 -3.288 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.549 -7.781 -4.224 1.00 0.84 C ATOM 0 HA PRO A 95 -20.995 -4.700 -5.220 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.430 -5.366 -2.939 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.852 -6.046 -4.499 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -21.266 -7.275 -2.262 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -22.473 -8.015 -3.296 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.793 -8.369 -3.704 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.948 -8.409 -5.021 1.00 0.84 H new ATOM 1512 N MET A 96 -20.346 -3.185 -3.375 1.00 1.06 N ATOM 1513 CA MET A 96 -19.703 -2.259 -2.452 1.00 1.14 C ATOM 1514 C MET A 96 -20.710 -1.653 -1.474 1.00 1.16 C ATOM 1515 O MET A 96 -20.617 -1.880 -0.267 1.00 1.25 O ATOM 1516 CB MET A 96 -18.981 -1.157 -3.233 1.00 1.31 C ATOM 1517 CG MET A 96 -18.227 -0.176 -2.346 1.00 1.38 C ATOM 1518 SD MET A 96 -17.245 1.014 -3.285 1.00 1.63 S ATOM 1519 CE MET A 96 -18.534 1.900 -4.157 1.00 1.94 C ATOM 0 H MET A 96 -21.006 -2.751 -4.021 1.00 1.06 H new ATOM 0 HA MET A 96 -18.973 -2.817 -1.866 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.280 -1.617 -3.930 1.00 1.31 H new ATOM 0 HB3 MET A 96 -19.710 -0.608 -3.829 1.00 1.31 H new ATOM 0 HG2 MET A 96 -18.940 0.362 -1.721 1.00 1.38 H new ATOM 0 HG3 MET A 96 -17.571 -0.731 -1.675 1.00 1.38 H new ATOM 0 HE1 MET A 96 -18.123 2.816 -4.581 1.00 1.94 H new ATOM 0 HE2 MET A 96 -18.928 1.274 -4.958 1.00 1.94 H new ATOM 0 HE3 MET A 96 -19.337 2.150 -3.464 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.664 -0.892 -2.015 1.00 1.14 N ATOM 1530 CA GLU A 97 -22.709 -0.227 -1.230 1.00 1.22 C ATOM 1531 C GLU A 97 -22.120 0.885 -0.362 1.00 1.29 C ATOM 1532 O GLU A 97 -21.502 0.624 0.674 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.468 -1.230 -0.356 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.864 -0.773 0.028 1.00 1.50 C ATOM 1535 CD GLU A 97 -25.940 -1.567 -0.674 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -26.323 -2.638 -0.158 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -26.403 -1.128 -1.751 1.00 2.57 O ATOM 0 H GLU A 97 -21.734 -0.718 -3.018 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.412 0.218 -1.934 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.540 -2.179 -0.887 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.894 -1.415 0.552 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -24.991 -0.867 1.106 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -24.978 0.283 -0.215 1.00 1.50 H new ATOM 1544 N THR A 98 -22.323 2.126 -0.786 1.00 1.31 N ATOM 1545 CA THR A 98 -21.803 3.274 -0.060 1.00 1.40 C ATOM 1546 C THR A 98 -22.766 4.460 -0.143 1.00 1.39 C ATOM 1547 O THR A 98 -23.720 4.437 -0.922 1.00 1.35 O ATOM 1548 CB THR A 98 -20.412 3.684 -0.602 1.00 1.43 C ATOM 1549 OG1 THR A 98 -19.764 4.583 0.306 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.531 4.343 -1.968 1.00 1.37 C ATOM 0 H THR A 98 -22.845 2.362 -1.630 1.00 1.31 H new ATOM 0 HA THR A 98 -21.701 2.984 0.986 1.00 1.40 H new ATOM 0 HB THR A 98 -19.815 2.778 -0.700 1.00 1.43 H new ATOM 0 HG1 THR A 98 -18.885 4.831 -0.050 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.540 4.621 -2.325 1.00 1.37 H new ATOM 0 HG22 THR A 98 -20.987 3.645 -2.670 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.152 5.236 -1.889 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.506 5.477 0.682 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.316 6.693 0.735 1.00 1.48 C ATOM 1560 C LEU A 99 -24.785 6.381 1.010 1.00 1.52 C ATOM 1561 O LEU A 99 -25.680 6.875 0.324 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.172 7.493 -0.565 1.00 1.43 C ATOM 1563 CG LEU A 99 -21.800 8.143 -0.781 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -21.747 8.842 -2.128 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -21.487 9.123 0.340 1.00 1.61 C ATOM 0 H LEU A 99 -21.723 5.478 1.335 1.00 1.46 H new ATOM 0 HA LEU A 99 -22.946 7.298 1.563 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -23.379 6.831 -1.406 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -23.933 8.274 -0.579 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.045 7.357 -0.770 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -20.766 9.297 -2.263 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -21.923 8.116 -2.922 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -22.514 9.615 -2.167 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -20.509 9.573 0.167 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -22.247 9.904 0.363 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -21.480 8.595 1.294 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.028 5.573 2.032 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.385 5.196 2.404 1.00 1.68 C ATOM 1579 C ILE A 100 -26.819 5.888 3.693 1.00 1.72 C ATOM 1580 O ILE A 100 -27.729 5.425 4.385 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.524 3.667 2.577 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.346 3.105 3.384 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -26.616 2.990 1.218 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.521 1.660 3.803 1.00 1.79 C ATOM 0 H ILE A 100 -24.301 5.165 2.620 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.033 5.518 1.589 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.441 3.462 3.129 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.437 3.193 2.789 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.204 3.717 4.275 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -26.714 1.913 1.354 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.486 3.368 0.681 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -25.714 3.203 0.644 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -24.647 1.337 4.369 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -26.411 1.567 4.425 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -25.631 1.035 2.917 1.00 1.79 H new ATOM 1596 N THR A 101 -26.158 6.986 4.024 1.00 1.73 N ATOM 1597 CA THR A 101 -26.479 7.748 5.227 1.00 1.77 C ATOM 1598 C THR A 101 -26.063 9.205 5.053 1.00 1.85 C ATOM 1599 O THR A 101 -24.952 9.486 4.607 1.00 1.80 O ATOM 1600 CB THR A 101 -25.773 7.156 6.468 1.00 1.70 C ATOM 1601 OG1 THR A 101 -25.955 5.732 6.504 1.00 1.85 O ATOM 1602 CG2 THR A 101 -26.316 7.770 7.755 1.00 1.98 C ATOM 0 H THR A 101 -25.391 7.374 3.475 1.00 1.73 H new ATOM 0 HA THR A 101 -27.557 7.691 5.381 1.00 1.77 H new ATOM 0 HB THR A 101 -24.711 7.389 6.394 1.00 1.70 H new ATOM 0 HG1 THR A 101 -25.503 5.364 7.292 1.00 1.85 H new ATOM 0 HG21 THR A 101 -25.801 7.335 8.611 1.00 1.98 H new ATOM 0 HG22 THR A 101 -26.151 8.847 7.742 1.00 1.98 H new ATOM 0 HG23 THR A 101 -27.384 7.567 7.832 1.00 1.98 H new ATOM 1610 N THR A 102 -26.960 10.124 5.386 1.00 2.05 N ATOM 1611 CA THR A 102 -26.671 11.544 5.266 1.00 2.18 C ATOM 1612 C THR A 102 -25.760 12.003 6.398 1.00 2.11 C ATOM 1613 O THR A 102 -26.191 12.110 7.543 1.00 2.23 O ATOM 1614 CB THR A 102 -27.965 12.378 5.283 1.00 2.58 C ATOM 1615 OG1 THR A 102 -29.107 11.516 5.401 1.00 2.89 O ATOM 1616 CG2 THR A 102 -28.083 13.204 4.016 1.00 2.72 C ATOM 0 H THR A 102 -27.892 9.910 5.741 1.00 2.05 H new ATOM 0 HA THR A 102 -26.167 11.697 4.311 1.00 2.18 H new ATOM 0 HB THR A 102 -27.928 13.049 6.141 1.00 2.58 H new ATOM 0 HG1 THR A 102 -29.925 12.056 5.413 1.00 2.89 H new ATOM 0 HG21 THR A 102 -29.004 13.787 4.046 1.00 2.72 H new ATOM 0 HG22 THR A 102 -27.229 13.878 3.940 1.00 2.72 H new ATOM 0 HG23 THR A 102 -28.101 12.542 3.150 1.00 2.72 H new ATOM 1624 N VAL A 103 -24.503 12.260 6.070 1.00 2.05 N ATOM 1625 CA VAL A 103 -23.524 12.700 7.057 1.00 2.08 C ATOM 1626 C VAL A 103 -23.095 14.140 6.801 1.00 2.14 C ATOM 1627 O VAL A 103 -22.069 14.601 7.310 1.00 2.25 O ATOM 1628 CB VAL A 103 -22.279 11.790 7.058 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -22.636 10.403 7.563 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -21.665 11.709 5.669 1.00 1.94 C ATOM 0 H VAL A 103 -24.134 12.171 5.123 1.00 2.05 H new ATOM 0 HA VAL A 103 -24.006 12.639 8.033 1.00 2.08 H new ATOM 0 HB VAL A 103 -21.540 12.226 7.731 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -21.746 9.774 7.557 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -23.023 10.474 8.579 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -23.395 9.964 6.915 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -20.789 11.062 5.696 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -22.396 11.301 4.971 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -21.369 12.706 5.343 1.00 1.94 H new ATOM 1640 N ASP A 104 -23.888 14.849 6.021 1.00 2.18 N ATOM 1641 CA ASP A 104 -23.597 16.233 5.687 1.00 2.30 C ATOM 1642 C ASP A 104 -24.778 17.117 6.065 1.00 2.65 C ATOM 1643 O ASP A 104 -25.884 16.573 6.263 1.00 2.86 O ATOM 1644 CB ASP A 104 -23.282 16.370 4.191 1.00 2.32 C ATOM 1645 CG ASP A 104 -24.525 16.408 3.320 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -25.275 15.407 3.290 1.00 2.82 O ATOM 1647 OD2 ASP A 104 -24.753 17.439 2.651 1.00 2.54 O ATOM 0 H ASP A 104 -24.745 14.487 5.603 1.00 2.18 H new ATOM 0 HA ASP A 104 -22.721 16.554 6.251 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -22.705 17.280 4.030 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -22.654 15.535 3.880 1.00 2.32 H new TER 1652 ASP A 104 HETATM 1653 CHA HEM A 400 11.217 10.002 -3.953 1.00 0.46 C HETATM 1654 CHB HEM A 400 10.649 5.616 -2.111 1.00 0.49 C HETATM 1655 CHC HEM A 400 5.906 6.031 -2.586 1.00 0.41 C HETATM 1656 CHD HEM A 400 6.454 10.489 -4.251 1.00 0.38 C HETATM 1657 C1A HEM A 400 11.475 8.752 -3.440 1.00 0.46 C HETATM 1658 C2A HEM A 400 12.802 8.231 -3.194 1.00 0.53 C HETATM 1659 C3A HEM A 400 12.636 7.001 -2.655 1.00 0.54 C HETATM 1660 C4A HEM A 400 11.216 6.771 -2.586 1.00 0.47 C HETATM 1661 CMA HEM A 400 13.712 6.061 -2.221 1.00 0.63 C HETATM 1662 CAA HEM A 400 14.100 8.901 -3.510 1.00 0.61 C HETATM 1663 CBA HEM A 400 14.541 8.668 -4.959 1.00 0.95 C HETATM 1664 CGA HEM A 400 15.858 7.894 -4.975 1.00 0.91 C HETATM 1665 O1A HEM A 400 15.834 6.679 -5.261 1.00 1.48 O HETATM 1666 O2A HEM A 400 16.908 8.508 -4.703 1.00 1.29 O HETATM 1667 C1B HEM A 400 9.301 5.357 -2.066 1.00 0.46 C HETATM 1668 C2B HEM A 400 8.732 4.127 -1.580 1.00 0.51 C HETATM 1669 C3B HEM A 400 7.392 4.239 -1.719 1.00 0.49 C HETATM 1670 C4B HEM A 400 7.152 5.542 -2.293 1.00 0.42 C HETATM 1671 CMB HEM A 400 9.475 2.960 -1.031 1.00 0.60 C HETATM 1672 CAB HEM A 400 6.438 3.301 -1.369 1.00 0.55 C HETATM 1673 CBB HEM A 400 5.087 3.630 -0.730 1.00 1.07 C HETATM 1674 C1C HEM A 400 5.643 7.273 -3.105 1.00 0.37 C HETATM 1675 C2C HEM A 400 4.316 7.770 -3.368 1.00 0.40 C HETATM 1676 C3C HEM A 400 4.468 9.038 -3.819 1.00 0.40 C HETATM 1677 C4C HEM A 400 5.888 9.303 -3.837 1.00 0.36 C HETATM 1678 CMC HEM A 400 3.030 7.026 -3.208 1.00 0.47 C HETATM 1679 CAC HEM A 400 3.458 9.906 -4.179 1.00 0.45 C HETATM 1680 CBC HEM A 400 2.153 10.093 -3.401 1.00 0.52 C HETATM 1681 C1D HEM A 400 7.804 10.750 -4.298 1.00 0.39 C HETATM 1682 C2D HEM A 400 8.374 11.994 -4.758 1.00 0.45 C HETATM 1683 C3D HEM A 400 9.719 11.855 -4.688 1.00 0.47 C HETATM 1684 C4D HEM A 400 9.964 10.523 -4.183 1.00 0.42 C HETATM 1685 CMD HEM A 400 7.627 13.206 -5.207 1.00 0.50 C HETATM 1686 CAD HEM A 400 10.744 12.885 -5.043 1.00 0.55 C HETATM 1687 CBD HEM A 400 10.815 13.151 -6.547 1.00 0.70 C HETATM 1688 CGD HEM A 400 12.030 12.440 -7.131 1.00 1.09 C HETATM 1689 O1D HEM A 400 13.152 12.657 -6.623 1.00 1.52 O HETATM 1690 O2D HEM A 400 11.857 11.667 -8.093 1.00 1.79 O HETATM 1691 NA HEM A 400 10.504 7.848 -3.070 1.00 0.42 N HETATM 1692 NB HEM A 400 8.326 6.230 -2.495 1.00 0.40 N HETATM 1693 NC HEM A 400 6.607 8.212 -3.401 1.00 0.35 N HETATM 1694 ND HEM A 400 8.785 9.850 -3.939 1.00 0.37 N HETATM 1695 FE HEM A 400 8.555 8.037 -3.225 1.00 0.36 FE HETATM 0 HMA1 HEM A 400 14.601 6.219 -2.831 1.00 0.63 H new HETATM 0 HMA2 HEM A 400 13.368 5.034 -2.341 1.00 0.63 H new HETATM 0 HMA3 HEM A 400 13.953 6.243 -1.174 1.00 0.63 H new HETATM 0 HMB1 HEM A 400 10.458 2.902 -1.498 1.00 0.60 H new HETATM 0 HMB2 HEM A 400 8.920 2.045 -1.238 1.00 0.60 H new HETATM 0 HMB3 HEM A 400 9.592 3.077 0.046 1.00 0.60 H new HETATM 0 HMC1 HEM A 400 3.201 5.963 -3.380 1.00 0.47 H new HETATM 0 HMC2 HEM A 400 2.302 7.398 -3.929 1.00 0.47 H new HETATM 0 HMC3 HEM A 400 2.647 7.174 -2.198 1.00 0.47 H new HETATM 0 HMD1 HEM A 400 8.215 14.097 -4.989 1.00 0.50 H new HETATM 0 HMD2 HEM A 400 6.674 13.262 -4.680 1.00 0.50 H new HETATM 0 HMD3 HEM A 400 7.445 13.145 -6.280 1.00 0.50 H new HETATM 0 HBB1 HEM A 400 4.391 2.828 -0.485 1.00 1.07 H new HETATM 0 HBB2 HEM A 400 4.821 4.666 -0.520 1.00 1.07 H new HETATM 0 HBC1 HEM A 400 1.404 10.802 -3.755 1.00 0.52 H new HETATM 0 HBC2 HEM A 400 1.972 9.517 -2.493 1.00 0.52 H new HETATM 0 HBA1 HEM A 400 14.662 9.623 -5.471 1.00 0.95 H new HETATM 0 HBA2 HEM A 400 13.774 8.112 -5.498 1.00 0.95 H new HETATM 0 HAA1 HEM A 400 14.871 8.530 -2.835 1.00 0.61 H new HETATM 0 HAA2 HEM A 400 14.006 9.972 -3.330 1.00 0.61 H new HETATM 0 HBD1 HEM A 400 10.882 14.223 -6.735 1.00 0.70 H new HETATM 0 HBD2 HEM A 400 9.905 12.798 -7.033 1.00 0.70 H new HETATM 0 HAD1 HEM A 400 11.721 12.556 -4.690 1.00 0.55 H new HETATM 0 HAD2 HEM A 400 10.514 13.815 -4.524 1.00 0.55 H new HETATM 0 HHA HEM A 400 12.066 10.625 -4.195 1.00 0.46 H new HETATM 0 HHB HEM A 400 11.315 4.850 -1.743 1.00 0.49 H new HETATM 0 HHC HEM A 400 5.062 5.386 -2.392 1.00 0.41 H new HETATM 0 HHD HEM A 400 5.784 11.277 -4.564 1.00 0.38 H new HETATM 0 HAB HEM A 400 6.665 2.252 -1.562 1.00 0.55 H new HETATM 0 HAC HEM A 400 3.599 10.501 -5.081 1.00 0.45 H new