USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 LYS NZ :NH3+ 159:sc= 1.32 (180deg=0) USER MOD Set 1.2: A 98 TYR OH : rot 130:sc= 1.04 USER MOD Set 2.1: A 85 LYS NZ :NH3+ -173:sc= 1.07 (180deg=-0.185) USER MOD Set 2.2: A 91 TYR OH : rot 180:sc= 1.07 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 2:sc= 0.319 USER MOD Single : A 30 ASN : amide:sc= -0.39 K(o=-0.39,f=-1) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc=-0.00172 (180deg=-0.111) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.0193 (180deg=-0.184) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= -0.0239 (180deg=-0.192) USER MOD Single : A 41 MET CE :methyl -160:sc= 0 (180deg=-0.744) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.871 K(o=-0.87,f=-0.0016) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 170:sc= -0.0182 (180deg=-0.169) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc=-0.00601 (180deg=-0.143) USER MOD Single : A 70 LYS NZ :NH3+ -147:sc= 1.17 (180deg=-0.11) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -130:sc= 0.845 (180deg=-0.158) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 163:sc= -0.0414 (180deg=-0.295) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0.016) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= -0.0049 (180deg=-0.186) USER MOD Single : A 107 THR OG1 : rot 112:sc= 0.79 USER MOD Single : A 109 THR OG1 : rot 14:sc= 1.23 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 162:sc= 1.97 (180deg=1.68) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot -28:sc= 0.438 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -8.473 -13.750 3.220 1.00 0.86 N ATOM 2 CA MET A 21 -7.938 -12.371 3.210 1.00 0.65 C ATOM 3 C MET A 21 -6.759 -12.264 2.253 1.00 0.55 C ATOM 4 O MET A 21 -6.069 -13.249 1.993 1.00 0.75 O ATOM 5 CB MET A 21 -7.494 -11.946 4.619 1.00 0.73 C ATOM 6 CG MET A 21 -6.284 -12.703 5.160 1.00 1.04 C ATOM 7 SD MET A 21 -6.602 -14.457 5.435 1.00 1.93 S ATOM 8 CE MET A 21 -5.022 -14.983 6.102 1.00 2.17 C ATOM 0 HA MET A 21 -8.734 -11.706 2.875 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.264 -10.881 4.607 1.00 0.73 H new ATOM 0 HB3 MET A 21 -8.329 -12.084 5.306 1.00 0.73 H new ATOM 0 HG2 MET A 21 -5.455 -12.597 4.460 1.00 1.04 H new ATOM 0 HG3 MET A 21 -5.969 -12.247 6.098 1.00 1.04 H new ATOM 0 HE1 MET A 21 -5.058 -16.050 6.324 1.00 2.17 H new ATOM 0 HE2 MET A 21 -4.236 -14.791 5.371 1.00 2.17 H new ATOM 0 HE3 MET A 21 -4.810 -14.429 7.016 1.00 2.17 H new ATOM 17 N THR A 22 -6.548 -11.071 1.722 1.00 0.43 N ATOM 18 CA THR A 22 -5.412 -10.806 0.854 1.00 0.41 C ATOM 19 C THR A 22 -4.697 -9.549 1.328 1.00 0.35 C ATOM 20 O THR A 22 -5.340 -8.610 1.809 1.00 0.38 O ATOM 21 CB THR A 22 -5.854 -10.625 -0.615 1.00 0.52 C ATOM 22 OG1 THR A 22 -6.681 -11.721 -1.021 1.00 0.82 O ATOM 23 CG2 THR A 22 -4.650 -10.533 -1.543 1.00 0.63 C ATOM 0 H THR A 22 -7.153 -10.265 1.878 1.00 0.43 H new ATOM 0 HA THR A 22 -4.739 -11.662 0.902 1.00 0.41 H new ATOM 0 HB THR A 22 -6.419 -9.695 -0.681 1.00 0.52 H new ATOM 0 HG1 THR A 22 -6.957 -11.595 -1.953 1.00 0.82 H new ATOM 0 HG21 THR A 22 -4.991 -10.406 -2.570 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.035 -9.680 -1.257 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.061 -11.447 -1.467 1.00 0.63 H new ATOM 31 N LEU A 23 -3.378 -9.533 1.215 1.00 0.32 N ATOM 32 CA LEU A 23 -2.602 -8.380 1.623 1.00 0.29 C ATOM 33 C LEU A 23 -2.121 -7.608 0.404 1.00 0.26 C ATOM 34 O LEU A 23 -1.240 -8.057 -0.335 1.00 0.30 O ATOM 35 CB LEU A 23 -1.419 -8.812 2.490 1.00 0.30 C ATOM 36 CG LEU A 23 -1.793 -9.533 3.788 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.548 -9.864 4.593 1.00 0.39 C ATOM 38 CD2 LEU A 23 -2.757 -8.693 4.613 1.00 0.39 C ATOM 0 H LEU A 23 -2.826 -10.306 0.844 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.239 -7.724 2.216 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -0.777 -9.467 1.901 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -0.830 -7.929 2.740 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.292 -10.466 3.528 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -0.834 -10.376 5.512 1.00 0.39 H new ATOM 0 HD12 LEU A 23 0.104 -10.510 4.005 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.019 -8.943 4.840 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.009 -9.225 5.531 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.288 -7.741 4.862 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -3.665 -8.511 4.038 1.00 0.39 H new ATOM 50 N PHE A 24 -2.725 -6.455 0.188 1.00 0.25 N ATOM 51 CA PHE A 24 -2.367 -5.602 -0.933 1.00 0.25 C ATOM 52 C PHE A 24 -1.425 -4.514 -0.463 1.00 0.26 C ATOM 53 O PHE A 24 -1.547 -4.026 0.658 1.00 0.30 O ATOM 54 CB PHE A 24 -3.612 -4.960 -1.549 1.00 0.28 C ATOM 55 CG PHE A 24 -4.655 -5.943 -1.992 1.00 0.34 C ATOM 56 CD1 PHE A 24 -5.585 -6.434 -1.093 1.00 1.24 C ATOM 57 CD2 PHE A 24 -4.707 -6.371 -3.307 1.00 1.25 C ATOM 58 CE1 PHE A 24 -6.547 -7.335 -1.496 1.00 1.25 C ATOM 59 CE2 PHE A 24 -5.667 -7.274 -3.716 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.588 -7.757 -2.809 1.00 0.51 C ATOM 0 H PHE A 24 -3.471 -6.084 0.777 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.879 -6.216 -1.690 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -4.055 -4.281 -0.821 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.310 -4.357 -2.405 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -5.557 -6.108 -0.064 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -3.989 -5.994 -4.020 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -7.268 -7.710 -0.785 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -5.697 -7.602 -4.744 1.00 1.30 H new ATOM 0 HZ PHE A 24 -7.340 -8.464 -3.126 1.00 0.51 H new ATOM 70 N VAL A 25 -0.491 -4.130 -1.305 1.00 0.29 N ATOM 71 CA VAL A 25 0.411 -3.051 -0.968 1.00 0.31 C ATOM 72 C VAL A 25 0.626 -2.133 -2.162 1.00 0.30 C ATOM 73 O VAL A 25 1.004 -2.570 -3.250 1.00 0.35 O ATOM 74 CB VAL A 25 1.764 -3.566 -0.416 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.401 -4.581 -1.352 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.713 -2.403 -0.157 1.00 0.98 C ATOM 0 H VAL A 25 -0.337 -4.546 -2.223 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.061 -2.478 -0.170 1.00 0.31 H new ATOM 0 HB VAL A 25 1.565 -4.071 0.529 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.348 -4.919 -0.932 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.733 -5.433 -1.474 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.580 -4.119 -2.323 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.658 -2.784 0.230 1.00 0.98 H new ATOM 0 HG22 VAL A 25 2.893 -1.866 -1.088 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.268 -1.726 0.572 1.00 0.98 H new ATOM 86 N LEU A 26 0.334 -0.865 -1.956 1.00 0.34 N ATOM 87 CA LEU A 26 0.550 0.149 -2.966 1.00 0.35 C ATOM 88 C LEU A 26 1.693 1.030 -2.503 1.00 0.34 C ATOM 89 O LEU A 26 2.013 1.055 -1.315 1.00 0.36 O ATOM 90 CB LEU A 26 -0.706 1.003 -3.172 1.00 0.40 C ATOM 91 CG LEU A 26 -2.048 0.297 -2.927 1.00 0.44 C ATOM 92 CD1 LEU A 26 -3.200 1.252 -3.167 1.00 1.18 C ATOM 93 CD2 LEU A 26 -2.202 -0.924 -3.812 1.00 1.09 C ATOM 0 H LEU A 26 -0.059 -0.509 -1.085 1.00 0.34 H new ATOM 0 HA LEU A 26 0.785 -0.330 -3.917 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -0.646 1.867 -2.510 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.699 1.383 -4.194 1.00 0.40 H new ATOM 0 HG LEU A 26 -2.062 -0.031 -1.888 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -4.143 0.736 -2.989 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -3.117 2.100 -2.488 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -3.169 1.607 -4.197 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.162 -1.399 -3.612 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -2.157 -0.623 -4.859 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -1.398 -1.629 -3.602 1.00 1.09 H new ATOM 105 N ILE A 27 2.305 1.752 -3.413 1.00 0.34 N ATOM 106 CA ILE A 27 3.426 2.595 -3.052 1.00 0.32 C ATOM 107 C ILE A 27 3.513 3.811 -3.959 1.00 0.30 C ATOM 108 O ILE A 27 3.767 3.686 -5.156 1.00 0.36 O ATOM 109 CB ILE A 27 4.758 1.797 -3.087 1.00 0.33 C ATOM 110 CG1 ILE A 27 5.952 2.718 -2.817 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.930 1.075 -4.417 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.280 1.992 -2.776 1.00 0.55 C ATOM 0 H ILE A 27 2.050 1.775 -4.400 1.00 0.34 H new ATOM 0 HA ILE A 27 3.261 2.942 -2.032 1.00 0.32 H new ATOM 0 HB ILE A 27 4.717 1.047 -2.297 1.00 0.33 H new ATOM 0 HG12 ILE A 27 5.991 3.485 -3.590 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.798 3.230 -1.867 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.871 0.525 -4.413 1.00 0.35 H new ATOM 0 HG22 ILE A 27 4.103 0.380 -4.563 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.939 1.803 -5.228 1.00 0.35 H new ATOM 0 HD11 ILE A 27 8.079 2.707 -2.581 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.261 1.243 -1.984 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.457 1.503 -3.734 1.00 0.55 H new ATOM 124 N LEU A 28 3.278 4.992 -3.398 1.00 0.30 N ATOM 125 CA LEU A 28 3.490 6.208 -4.152 1.00 0.36 C ATOM 126 C LEU A 28 4.865 6.751 -3.804 1.00 0.38 C ATOM 127 O LEU A 28 5.010 7.675 -2.997 1.00 0.41 O ATOM 128 CB LEU A 28 2.417 7.237 -3.792 1.00 0.46 C ATOM 129 CG LEU A 28 1.668 7.844 -4.975 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.901 6.766 -5.720 1.00 1.24 C ATOM 131 CD2 LEU A 28 0.726 8.938 -4.504 1.00 1.18 C ATOM 0 H LEU A 28 2.947 5.126 -2.443 1.00 0.30 H new ATOM 0 HA LEU A 28 3.428 6.003 -5.221 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.692 6.764 -3.129 1.00 0.46 H new ATOM 0 HB3 LEU A 28 2.886 8.044 -3.228 1.00 0.46 H new ATOM 0 HG LEU A 28 2.395 8.287 -5.656 1.00 0.62 H new ATOM 0 HD11 LEU A 28 0.371 7.212 -6.562 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.597 6.012 -6.088 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.183 6.298 -5.046 1.00 1.24 H new ATOM 0 HD21 LEU A 28 0.200 9.359 -5.361 1.00 1.18 H new ATOM 0 HD22 LEU A 28 0.002 8.519 -3.805 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.298 9.722 -4.008 1.00 1.18 H new ATOM 143 N SER A 29 5.868 6.133 -4.396 1.00 0.44 N ATOM 144 CA SER A 29 7.243 6.570 -4.275 1.00 0.56 C ATOM 145 C SER A 29 8.010 6.199 -5.531 1.00 0.68 C ATOM 146 O SER A 29 8.557 5.097 -5.605 1.00 1.05 O ATOM 147 CB SER A 29 7.895 5.932 -3.047 1.00 0.61 C ATOM 148 OG SER A 29 7.280 6.381 -1.852 1.00 1.27 O ATOM 0 H SER A 29 5.749 5.305 -4.980 1.00 0.44 H new ATOM 0 HA SER A 29 7.263 7.653 -4.153 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.819 4.847 -3.113 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.957 6.176 -3.027 1.00 0.61 H new ATOM 0 HG SER A 29 6.540 6.984 -2.072 1.00 1.27 H new ATOM 154 N ASN A 30 8.050 7.060 -6.533 1.00 0.60 N ATOM 155 CA ASN A 30 8.744 6.681 -7.752 1.00 0.67 C ATOM 156 C ASN A 30 10.253 6.864 -7.590 1.00 0.64 C ATOM 157 O ASN A 30 10.829 7.898 -7.922 1.00 0.68 O ATOM 158 CB ASN A 30 8.204 7.491 -8.940 1.00 0.79 C ATOM 159 CG ASN A 30 8.124 8.984 -8.660 1.00 1.85 C ATOM 160 OD1 ASN A 30 7.162 9.462 -8.058 1.00 2.75 O ATOM 161 ND2 ASN A 30 9.117 9.731 -9.110 1.00 2.45 N ATOM 0 H ASN A 30 7.629 7.989 -6.532 1.00 0.60 H new ATOM 0 HA ASN A 30 8.560 5.625 -7.951 1.00 0.67 H new ATOM 0 HB2 ASN A 30 8.844 7.324 -9.806 1.00 0.79 H new ATOM 0 HB3 ASN A 30 7.212 7.123 -9.201 1.00 0.79 H new ATOM 0 HD21 ASN A 30 9.103 10.740 -8.963 1.00 2.45 H new ATOM 0 HD22 ASN A 30 9.897 9.298 -9.604 1.00 2.45 H new ATOM 168 N ASP A 31 10.875 5.819 -7.073 1.00 0.63 N ATOM 169 CA ASP A 31 12.321 5.692 -7.027 1.00 0.67 C ATOM 170 C ASP A 31 12.715 4.456 -7.818 1.00 0.72 C ATOM 171 O ASP A 31 11.864 3.621 -8.100 1.00 0.81 O ATOM 172 CB ASP A 31 12.808 5.600 -5.580 1.00 0.72 C ATOM 173 CG ASP A 31 14.317 5.689 -5.462 1.00 0.92 C ATOM 174 OD1 ASP A 31 14.876 6.772 -5.733 1.00 1.45 O ATOM 175 OD2 ASP A 31 14.950 4.679 -5.093 1.00 1.57 O ATOM 0 H ASP A 31 10.382 5.023 -6.667 1.00 0.63 H new ATOM 0 HA ASP A 31 12.789 6.572 -7.468 1.00 0.67 H new ATOM 0 HB2 ASP A 31 12.354 6.402 -4.997 1.00 0.72 H new ATOM 0 HB3 ASP A 31 12.469 4.659 -5.146 1.00 0.72 H new ATOM 180 N LYS A 32 13.968 4.321 -8.188 1.00 0.78 N ATOM 181 CA LYS A 32 14.397 3.106 -8.864 1.00 0.82 C ATOM 182 C LYS A 32 14.836 2.046 -7.854 1.00 0.79 C ATOM 183 O LYS A 32 14.640 0.851 -8.072 1.00 0.81 O ATOM 184 CB LYS A 32 15.520 3.405 -9.857 1.00 0.99 C ATOM 185 CG LYS A 32 15.095 4.313 -11.004 1.00 1.10 C ATOM 186 CD LYS A 32 14.020 3.666 -11.865 1.00 1.61 C ATOM 187 CE LYS A 32 13.570 4.584 -12.994 1.00 2.22 C ATOM 188 NZ LYS A 32 12.886 5.805 -12.488 1.00 2.93 N ATOM 0 H LYS A 32 14.698 5.017 -8.039 1.00 0.78 H new ATOM 0 HA LYS A 32 13.547 2.712 -9.420 1.00 0.82 H new ATOM 0 HB2 LYS A 32 16.350 3.870 -9.325 1.00 0.99 H new ATOM 0 HB3 LYS A 32 15.891 2.466 -10.267 1.00 0.99 H new ATOM 0 HG2 LYS A 32 14.722 5.255 -10.603 1.00 1.10 H new ATOM 0 HG3 LYS A 32 15.962 4.550 -11.621 1.00 1.10 H new ATOM 0 HD2 LYS A 32 14.402 2.735 -12.284 1.00 1.61 H new ATOM 0 HD3 LYS A 32 13.163 3.408 -11.243 1.00 1.61 H new ATOM 0 HE2 LYS A 32 14.435 4.875 -13.590 1.00 2.22 H new ATOM 0 HE3 LYS A 32 12.896 4.040 -13.655 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 12.436 6.305 -13.281 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 12.161 5.534 -11.793 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 13.583 6.431 -12.036 1.00 2.93 H new ATOM 202 N LYS A 33 15.399 2.480 -6.736 1.00 0.84 N ATOM 203 CA LYS A 33 15.905 1.552 -5.733 1.00 0.86 C ATOM 204 C LYS A 33 14.824 1.214 -4.713 1.00 0.74 C ATOM 205 O LYS A 33 14.667 0.057 -4.324 1.00 0.70 O ATOM 206 CB LYS A 33 17.120 2.143 -5.021 1.00 1.02 C ATOM 207 CG LYS A 33 18.271 2.475 -5.952 1.00 1.56 C ATOM 208 CD LYS A 33 19.441 3.070 -5.188 1.00 2.24 C ATOM 209 CE LYS A 33 20.584 3.438 -6.118 1.00 2.94 C ATOM 210 NZ LYS A 33 21.120 2.257 -6.841 1.00 3.44 N ATOM 0 H LYS A 33 15.517 3.465 -6.500 1.00 0.84 H new ATOM 0 HA LYS A 33 16.203 0.636 -6.243 1.00 0.86 H new ATOM 0 HB2 LYS A 33 16.817 3.048 -4.495 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.467 1.437 -4.266 1.00 1.02 H new ATOM 0 HG2 LYS A 33 18.594 1.573 -6.472 1.00 1.56 H new ATOM 0 HG3 LYS A 33 17.935 3.179 -6.714 1.00 1.56 H new ATOM 0 HD2 LYS A 33 19.111 3.957 -4.647 1.00 2.24 H new ATOM 0 HD3 LYS A 33 19.792 2.355 -4.444 1.00 2.24 H new ATOM 0 HE2 LYS A 33 20.239 4.178 -6.840 1.00 2.94 H new ATOM 0 HE3 LYS A 33 21.384 3.903 -5.542 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 22.017 2.510 -7.303 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 21.284 1.482 -6.167 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 20.435 1.950 -7.561 1.00 3.44 H new ATOM 224 N LEU A 34 14.084 2.236 -4.291 1.00 0.72 N ATOM 225 CA LEU A 34 13.018 2.070 -3.307 1.00 0.64 C ATOM 226 C LEU A 34 12.006 1.041 -3.800 1.00 0.58 C ATOM 227 O LEU A 34 11.638 0.123 -3.071 1.00 0.62 O ATOM 228 CB LEU A 34 12.329 3.418 -3.049 1.00 0.63 C ATOM 229 CG LEU A 34 11.802 3.650 -1.626 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.263 5.063 -1.486 1.00 1.37 C ATOM 231 CD2 LEU A 34 10.724 2.642 -1.263 1.00 1.46 C ATOM 0 H LEU A 34 14.205 3.195 -4.618 1.00 0.72 H new ATOM 0 HA LEU A 34 13.449 1.713 -2.372 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.035 4.214 -3.287 1.00 0.63 H new ATOM 0 HB3 LEU A 34 11.494 3.514 -3.743 1.00 0.63 H new ATOM 0 HG LEU A 34 12.636 3.516 -0.937 1.00 0.69 H new ATOM 0 HD11 LEU A 34 10.893 5.212 -0.472 1.00 1.37 H new ATOM 0 HD12 LEU A 34 12.060 5.778 -1.691 1.00 1.37 H new ATOM 0 HD13 LEU A 34 10.449 5.214 -2.195 1.00 1.37 H new ATOM 0 HD21 LEU A 34 10.373 2.834 -0.249 1.00 1.46 H new ATOM 0 HD22 LEU A 34 9.891 2.734 -1.960 1.00 1.46 H new ATOM 0 HD23 LEU A 34 11.135 1.634 -1.319 1.00 1.46 H new ATOM 243 N ILE A 35 11.584 1.192 -5.050 1.00 0.54 N ATOM 244 CA ILE A 35 10.638 0.268 -5.662 1.00 0.52 C ATOM 245 C ILE A 35 11.191 -1.156 -5.675 1.00 0.55 C ATOM 246 O ILE A 35 10.487 -2.107 -5.326 1.00 0.58 O ATOM 247 CB ILE A 35 10.282 0.715 -7.100 1.00 0.56 C ATOM 248 CG1 ILE A 35 9.405 1.970 -7.054 1.00 0.57 C ATOM 249 CG2 ILE A 35 9.588 -0.400 -7.875 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.055 2.520 -8.420 1.00 0.69 C ATOM 0 H ILE A 35 11.884 1.950 -5.662 1.00 0.54 H new ATOM 0 HA ILE A 35 9.730 0.279 -5.060 1.00 0.52 H new ATOM 0 HB ILE A 35 11.209 0.948 -7.624 1.00 0.56 H new ATOM 0 HG12 ILE A 35 8.484 1.739 -6.519 1.00 0.57 H new ATOM 0 HG13 ILE A 35 9.921 2.742 -6.483 1.00 0.57 H new ATOM 0 HG21 ILE A 35 9.352 -0.052 -8.881 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.248 -1.266 -7.936 1.00 0.61 H new ATOM 0 HG23 ILE A 35 8.668 -0.681 -7.363 1.00 0.61 H new ATOM 0 HD11 ILE A 35 8.433 3.408 -8.306 1.00 0.69 H new ATOM 0 HD12 ILE A 35 9.969 2.784 -8.951 1.00 0.69 H new ATOM 0 HD13 ILE A 35 8.510 1.765 -8.987 1.00 0.69 H new ATOM 262 N GLU A 36 12.458 -1.299 -6.051 1.00 0.59 N ATOM 263 CA GLU A 36 13.089 -2.610 -6.092 1.00 0.66 C ATOM 264 C GLU A 36 13.132 -3.256 -4.714 1.00 0.62 C ATOM 265 O GLU A 36 12.648 -4.375 -4.543 1.00 0.62 O ATOM 266 CB GLU A 36 14.496 -2.516 -6.673 1.00 0.79 C ATOM 267 CG GLU A 36 14.506 -2.381 -8.184 1.00 0.76 C ATOM 268 CD GLU A 36 13.922 -3.593 -8.882 1.00 1.34 C ATOM 269 OE1 GLU A 36 12.680 -3.727 -8.927 1.00 2.15 O ATOM 270 OE2 GLU A 36 14.705 -4.419 -9.394 1.00 1.87 O ATOM 0 H GLU A 36 13.064 -0.527 -6.330 1.00 0.59 H new ATOM 0 HA GLU A 36 12.482 -3.242 -6.740 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.008 -1.660 -6.234 1.00 0.79 H new ATOM 0 HB3 GLU A 36 15.060 -3.404 -6.389 1.00 0.79 H new ATOM 0 HG2 GLU A 36 13.940 -1.494 -8.469 1.00 0.76 H new ATOM 0 HG3 GLU A 36 15.530 -2.229 -8.525 1.00 0.76 H new ATOM 277 N GLU A 37 13.687 -2.549 -3.734 1.00 0.62 N ATOM 278 CA GLU A 37 13.827 -3.098 -2.388 1.00 0.65 C ATOM 279 C GLU A 37 12.466 -3.380 -1.756 1.00 0.56 C ATOM 280 O GLU A 37 12.317 -4.326 -0.986 1.00 0.57 O ATOM 281 CB GLU A 37 14.639 -2.161 -1.489 1.00 0.73 C ATOM 282 CG GLU A 37 16.101 -2.042 -1.891 1.00 0.85 C ATOM 283 CD GLU A 37 16.991 -1.627 -0.733 1.00 1.30 C ATOM 284 OE1 GLU A 37 17.377 -0.442 -0.657 1.00 2.05 O ATOM 285 OE2 GLU A 37 17.313 -2.492 0.113 1.00 1.84 O ATOM 0 H GLU A 37 14.045 -1.600 -3.845 1.00 0.62 H new ATOM 0 HA GLU A 37 14.364 -4.042 -2.481 1.00 0.65 H new ATOM 0 HB2 GLU A 37 14.185 -1.170 -1.507 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.582 -2.519 -0.461 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.445 -2.998 -2.285 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.195 -1.313 -2.696 1.00 0.85 H new ATOM 292 N ALA A 38 11.474 -2.561 -2.085 1.00 0.51 N ATOM 293 CA ALA A 38 10.128 -2.754 -1.564 1.00 0.46 C ATOM 294 C ALA A 38 9.495 -4.009 -2.154 1.00 0.42 C ATOM 295 O ALA A 38 8.905 -4.816 -1.432 1.00 0.43 O ATOM 296 CB ALA A 38 9.258 -1.538 -1.849 1.00 0.50 C ATOM 0 H ALA A 38 11.577 -1.760 -2.708 1.00 0.51 H new ATOM 0 HA ALA A 38 10.200 -2.879 -0.484 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.257 -1.705 -1.451 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.695 -0.659 -1.375 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.198 -1.378 -2.925 1.00 0.50 H new ATOM 302 N ARG A 39 9.624 -4.182 -3.466 1.00 0.43 N ATOM 303 CA ARG A 39 9.046 -5.344 -4.121 1.00 0.45 C ATOM 304 C ARG A 39 9.746 -6.620 -3.687 1.00 0.45 C ATOM 305 O ARG A 39 9.097 -7.626 -3.483 1.00 0.49 O ATOM 306 CB ARG A 39 9.086 -5.234 -5.647 1.00 0.53 C ATOM 307 CG ARG A 39 8.548 -6.485 -6.336 1.00 0.60 C ATOM 308 CD ARG A 39 8.445 -6.318 -7.842 1.00 0.77 C ATOM 309 NE ARG A 39 7.802 -7.475 -8.463 1.00 1.46 N ATOM 310 CZ ARG A 39 7.972 -7.843 -9.729 1.00 1.90 C ATOM 311 NH1 ARG A 39 8.793 -7.166 -10.524 1.00 1.82 N ATOM 312 NH2 ARG A 39 7.318 -8.898 -10.196 1.00 2.96 N ATOM 0 H ARG A 39 10.117 -3.540 -4.087 1.00 0.43 H new ATOM 0 HA ARG A 39 8.001 -5.381 -3.813 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.501 -4.370 -5.961 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.112 -5.058 -5.969 1.00 0.53 H new ATOM 0 HG2 ARG A 39 9.200 -7.329 -6.111 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.565 -6.725 -5.932 1.00 0.60 H new ATOM 0 HD2 ARG A 39 7.877 -5.417 -8.072 1.00 0.77 H new ATOM 0 HD3 ARG A 39 9.441 -6.183 -8.264 1.00 0.77 H new ATOM 0 HE ARG A 39 7.180 -8.039 -7.884 1.00 1.46 H new ATOM 0 HH11 ARG A 39 9.299 -6.357 -10.164 1.00 1.82 H new ATOM 0 HH12 ARG A 39 8.917 -7.455 -11.494 1.00 1.82 H new ATOM 0 HH21 ARG A 39 6.690 -9.420 -9.585 1.00 2.96 H new ATOM 0 HH22 ARG A 39 7.443 -9.187 -11.166 1.00 2.96 H new ATOM 326 N LYS A 40 11.062 -6.575 -3.532 1.00 0.49 N ATOM 327 CA LYS A 40 11.813 -7.769 -3.148 1.00 0.55 C ATOM 328 C LYS A 40 11.268 -8.365 -1.851 1.00 0.49 C ATOM 329 O LYS A 40 11.201 -9.582 -1.696 1.00 0.54 O ATOM 330 CB LYS A 40 13.304 -7.447 -3.014 1.00 0.70 C ATOM 331 CG LYS A 40 13.957 -7.119 -4.346 1.00 0.85 C ATOM 332 CD LYS A 40 15.410 -6.711 -4.181 1.00 1.27 C ATOM 333 CE LYS A 40 16.047 -6.373 -5.520 1.00 1.34 C ATOM 334 NZ LYS A 40 16.072 -7.545 -6.438 1.00 1.88 N ATOM 0 H LYS A 40 11.629 -5.737 -3.664 1.00 0.49 H new ATOM 0 HA LYS A 40 11.692 -8.513 -3.935 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.429 -6.603 -2.335 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.816 -8.297 -2.563 1.00 0.70 H new ATOM 0 HG2 LYS A 40 13.896 -7.987 -5.003 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.407 -6.313 -4.831 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.474 -5.848 -3.518 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.965 -7.520 -3.706 1.00 1.27 H new ATOM 0 HE2 LYS A 40 15.496 -5.558 -5.988 1.00 1.34 H new ATOM 0 HE3 LYS A 40 17.065 -6.018 -5.358 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 16.687 -7.337 -7.250 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 16.438 -8.376 -5.931 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 15.108 -7.742 -6.775 1.00 1.88 H new ATOM 348 N MET A 41 10.844 -7.502 -0.942 1.00 0.45 N ATOM 349 CA MET A 41 10.241 -7.944 0.307 1.00 0.46 C ATOM 350 C MET A 41 8.796 -8.391 0.099 1.00 0.41 C ATOM 351 O MET A 41 8.427 -9.505 0.465 1.00 0.46 O ATOM 352 CB MET A 41 10.296 -6.828 1.351 1.00 0.57 C ATOM 353 CG MET A 41 11.577 -6.812 2.170 1.00 0.89 C ATOM 354 SD MET A 41 13.070 -6.765 1.159 1.00 1.10 S ATOM 355 CE MET A 41 14.335 -6.865 2.424 1.00 1.68 C ATOM 0 H MET A 41 10.906 -6.489 -1.045 1.00 0.45 H new ATOM 0 HA MET A 41 10.814 -8.799 0.667 1.00 0.46 H new ATOM 0 HB2 MET A 41 10.186 -5.867 0.848 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.446 -6.933 2.026 1.00 0.57 H new ATOM 0 HG2 MET A 41 11.567 -5.945 2.831 1.00 0.89 H new ATOM 0 HG3 MET A 41 11.605 -7.697 2.806 1.00 0.89 H new ATOM 0 HE1 MET A 41 15.280 -6.499 2.023 1.00 1.68 H new ATOM 0 HE2 MET A 41 14.043 -6.256 3.279 1.00 1.68 H new ATOM 0 HE3 MET A 41 14.452 -7.902 2.740 1.00 1.68 H new ATOM 365 N ALA A 42 7.990 -7.526 -0.508 1.00 0.37 N ATOM 366 CA ALA A 42 6.558 -7.785 -0.677 1.00 0.39 C ATOM 367 C ALA A 42 6.286 -8.950 -1.625 1.00 0.42 C ATOM 368 O ALA A 42 5.337 -9.706 -1.431 1.00 0.49 O ATOM 369 CB ALA A 42 5.857 -6.536 -1.177 1.00 0.43 C ATOM 0 H ALA A 42 8.302 -6.635 -0.894 1.00 0.37 H new ATOM 0 HA ALA A 42 6.163 -8.062 0.301 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.793 -6.740 -1.299 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.992 -5.730 -0.456 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.282 -6.239 -2.136 1.00 0.43 H new ATOM 375 N GLU A 43 7.117 -9.088 -2.647 1.00 0.45 N ATOM 376 CA GLU A 43 6.951 -10.142 -3.639 1.00 0.59 C ATOM 377 C GLU A 43 7.156 -11.503 -2.982 1.00 0.63 C ATOM 378 O GLU A 43 6.393 -12.444 -3.210 1.00 0.75 O ATOM 379 CB GLU A 43 7.948 -9.959 -4.789 1.00 0.71 C ATOM 380 CG GLU A 43 7.575 -10.712 -6.052 1.00 0.87 C ATOM 381 CD GLU A 43 6.254 -10.248 -6.632 1.00 1.66 C ATOM 382 OE1 GLU A 43 6.195 -9.122 -7.166 1.00 2.36 O ATOM 383 OE2 GLU A 43 5.270 -11.014 -6.568 1.00 2.41 O ATOM 0 H GLU A 43 7.919 -8.479 -2.812 1.00 0.45 H new ATOM 0 HA GLU A 43 5.941 -10.086 -4.045 1.00 0.59 H new ATOM 0 HB2 GLU A 43 8.029 -8.897 -5.021 1.00 0.71 H new ATOM 0 HB3 GLU A 43 8.933 -10.289 -4.459 1.00 0.71 H new ATOM 0 HG2 GLU A 43 8.361 -10.581 -6.795 1.00 0.87 H new ATOM 0 HG3 GLU A 43 7.518 -11.778 -5.833 1.00 0.87 H new ATOM 390 N LYS A 44 8.187 -11.591 -2.145 1.00 0.60 N ATOM 391 CA LYS A 44 8.467 -12.805 -1.387 1.00 0.70 C ATOM 392 C LYS A 44 7.436 -12.989 -0.282 1.00 0.66 C ATOM 393 O LYS A 44 7.141 -14.108 0.138 1.00 0.75 O ATOM 394 CB LYS A 44 9.861 -12.743 -0.785 1.00 0.81 C ATOM 395 CG LYS A 44 10.955 -12.616 -1.822 1.00 1.39 C ATOM 396 CD LYS A 44 12.316 -12.692 -1.174 1.00 2.35 C ATOM 397 CE LYS A 44 13.434 -12.417 -2.165 1.00 3.19 C ATOM 398 NZ LYS A 44 14.755 -12.324 -1.490 1.00 3.63 N ATOM 0 H LYS A 44 8.845 -10.830 -1.975 1.00 0.60 H new ATOM 0 HA LYS A 44 8.413 -13.655 -2.067 1.00 0.70 H new ATOM 0 HB2 LYS A 44 9.917 -11.895 -0.102 1.00 0.81 H new ATOM 0 HB3 LYS A 44 10.034 -13.642 -0.193 1.00 0.81 H new ATOM 0 HG2 LYS A 44 10.855 -13.409 -2.563 1.00 1.39 H new ATOM 0 HG3 LYS A 44 10.852 -11.670 -2.353 1.00 1.39 H new ATOM 0 HD2 LYS A 44 12.370 -11.972 -0.358 1.00 2.35 H new ATOM 0 HD3 LYS A 44 12.454 -13.681 -0.736 1.00 2.35 H new ATOM 0 HE2 LYS A 44 13.462 -13.210 -2.912 1.00 3.19 H new ATOM 0 HE3 LYS A 44 13.230 -11.487 -2.695 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 15.494 -12.136 -2.197 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 14.736 -11.551 -0.795 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 14.961 -13.221 -1.005 1.00 3.63 H new ATOM 412 N ALA A 45 6.889 -11.873 0.185 1.00 0.57 N ATOM 413 CA ALA A 45 5.855 -11.892 1.207 1.00 0.59 C ATOM 414 C ALA A 45 4.500 -12.243 0.602 1.00 0.59 C ATOM 415 O ALA A 45 3.495 -12.323 1.306 1.00 0.66 O ATOM 416 CB ALA A 45 5.793 -10.552 1.928 1.00 0.56 C ATOM 0 H ALA A 45 7.148 -10.939 -0.132 1.00 0.57 H new ATOM 0 HA ALA A 45 6.109 -12.663 1.935 1.00 0.59 H new ATOM 0 HB1 ALA A 45 5.014 -10.584 2.689 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.754 -10.348 2.401 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.567 -9.763 1.211 1.00 0.56 H new ATOM 422 N ASN A 46 4.496 -12.450 -0.717 1.00 0.56 N ATOM 423 CA ASN A 46 3.300 -12.847 -1.460 1.00 0.60 C ATOM 424 C ASN A 46 2.224 -11.779 -1.371 1.00 0.54 C ATOM 425 O ASN A 46 1.032 -12.081 -1.310 1.00 0.63 O ATOM 426 CB ASN A 46 2.754 -14.190 -0.960 1.00 0.76 C ATOM 427 CG ASN A 46 3.721 -15.345 -1.160 1.00 1.41 C ATOM 428 OD1 ASN A 46 3.773 -16.265 -0.345 1.00 2.03 O ATOM 429 ND2 ASN A 46 4.472 -15.326 -2.252 1.00 2.18 N ATOM 0 H ASN A 46 5.326 -12.346 -1.301 1.00 0.56 H new ATOM 0 HA ASN A 46 3.589 -12.963 -2.505 1.00 0.60 H new ATOM 0 HB2 ASN A 46 2.515 -14.105 0.100 1.00 0.76 H new ATOM 0 HB3 ASN A 46 1.822 -14.412 -1.480 1.00 0.76 H new ATOM 0 HD21 ASN A 46 5.120 -16.091 -2.439 1.00 2.18 H new ATOM 0 HD22 ASN A 46 4.402 -14.546 -2.906 1.00 2.18 H new ATOM 436 N LEU A 47 2.648 -10.529 -1.358 1.00 0.44 N ATOM 437 CA LEU A 47 1.715 -9.421 -1.336 1.00 0.42 C ATOM 438 C LEU A 47 1.430 -8.973 -2.755 1.00 0.41 C ATOM 439 O LEU A 47 2.256 -9.162 -3.653 1.00 0.58 O ATOM 440 CB LEU A 47 2.276 -8.235 -0.555 1.00 0.43 C ATOM 441 CG LEU A 47 2.886 -8.543 0.810 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.226 -7.250 1.519 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.950 -9.380 1.660 1.00 0.59 C ATOM 0 H LEU A 47 3.631 -10.257 -1.362 1.00 0.44 H new ATOM 0 HA LEU A 47 0.802 -9.762 -0.848 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.038 -7.753 -1.168 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.474 -7.510 -0.414 1.00 0.43 H new ATOM 0 HG LEU A 47 3.796 -9.122 0.655 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.661 -7.473 2.493 1.00 0.47 H new ATOM 0 HD12 LEU A 47 3.942 -6.685 0.922 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.320 -6.659 1.653 1.00 0.47 H new ATOM 0 HD21 LEU A 47 2.416 -9.581 2.625 1.00 0.59 H new ATOM 0 HD22 LEU A 47 1.016 -8.839 1.814 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.744 -10.323 1.154 1.00 0.59 H new ATOM 455 N ILE A 48 0.271 -8.380 -2.963 1.00 0.30 N ATOM 456 CA ILE A 48 -0.051 -7.829 -4.261 1.00 0.32 C ATOM 457 C ILE A 48 0.391 -6.375 -4.320 1.00 0.32 C ATOM 458 O ILE A 48 -0.315 -5.474 -3.862 1.00 0.33 O ATOM 459 CB ILE A 48 -1.554 -7.952 -4.593 1.00 0.36 C ATOM 460 CG1 ILE A 48 -1.982 -9.424 -4.538 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.848 -7.358 -5.968 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.422 -9.663 -4.945 1.00 0.53 C ATOM 0 H ILE A 48 -0.456 -8.269 -2.256 1.00 0.30 H new ATOM 0 HA ILE A 48 0.486 -8.408 -5.013 1.00 0.32 H new ATOM 0 HB ILE A 48 -2.126 -7.393 -3.852 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.330 -10.006 -5.189 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.835 -9.797 -3.524 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.912 -7.453 -6.186 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.569 -6.304 -5.976 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -1.274 -7.892 -6.725 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.647 -10.728 -4.880 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -4.085 -9.111 -4.279 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.572 -9.323 -5.970 1.00 0.53 H new ATOM 474 N LEU A 49 1.588 -6.167 -4.848 1.00 0.34 N ATOM 475 CA LEU A 49 2.169 -4.840 -4.937 1.00 0.35 C ATOM 476 C LEU A 49 1.739 -4.147 -6.218 1.00 0.35 C ATOM 477 O LEU A 49 2.022 -4.620 -7.320 1.00 0.44 O ATOM 478 CB LEU A 49 3.698 -4.924 -4.880 1.00 0.44 C ATOM 479 CG LEU A 49 4.435 -3.588 -5.045 1.00 0.58 C ATOM 480 CD1 LEU A 49 4.195 -2.679 -3.850 1.00 0.90 C ATOM 481 CD2 LEU A 49 5.921 -3.822 -5.237 1.00 1.14 C ATOM 0 H LEU A 49 2.179 -6.909 -5.224 1.00 0.34 H new ATOM 0 HA LEU A 49 1.811 -4.256 -4.089 1.00 0.35 H new ATOM 0 HB2 LEU A 49 3.986 -5.363 -3.925 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.037 -5.606 -5.660 1.00 0.44 H new ATOM 0 HG LEU A 49 4.039 -3.094 -5.932 1.00 0.58 H new ATOM 0 HD11 LEU A 49 4.729 -1.740 -3.994 1.00 0.90 H new ATOM 0 HD12 LEU A 49 3.128 -2.479 -3.754 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.556 -3.166 -2.944 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.428 -2.864 -5.352 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.323 -4.343 -4.368 1.00 1.14 H new ATOM 0 HD23 LEU A 49 6.082 -4.427 -6.129 1.00 1.14 H new ATOM 493 N ILE A 50 1.048 -3.034 -6.071 1.00 0.33 N ATOM 494 CA ILE A 50 0.678 -2.218 -7.210 1.00 0.34 C ATOM 495 C ILE A 50 1.473 -0.920 -7.175 1.00 0.32 C ATOM 496 O ILE A 50 1.156 0.002 -6.421 1.00 0.36 O ATOM 497 CB ILE A 50 -0.835 -1.906 -7.229 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.649 -3.199 -7.102 1.00 0.48 C ATOM 499 CG2 ILE A 50 -1.202 -1.171 -8.511 1.00 0.46 C ATOM 500 CD1 ILE A 50 -3.145 -2.979 -7.034 1.00 0.94 C ATOM 0 H ILE A 50 0.731 -2.673 -5.171 1.00 0.33 H new ATOM 0 HA ILE A 50 0.908 -2.777 -8.117 1.00 0.34 H new ATOM 0 HB ILE A 50 -1.071 -1.266 -6.379 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -1.425 -3.843 -7.953 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -1.329 -3.731 -6.206 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -2.271 -0.956 -8.514 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.644 -0.237 -8.567 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.955 -1.794 -9.371 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -3.650 -3.941 -6.945 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -3.383 -2.362 -6.167 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -3.480 -2.475 -7.941 1.00 0.94 H new ATOM 512 N THR A 51 2.528 -0.868 -7.970 1.00 0.32 N ATOM 513 CA THR A 51 3.410 0.282 -7.988 1.00 0.35 C ATOM 514 C THR A 51 2.849 1.384 -8.879 1.00 0.38 C ATOM 515 O THR A 51 2.679 1.201 -10.085 1.00 0.55 O ATOM 516 CB THR A 51 4.816 -0.114 -8.470 1.00 0.47 C ATOM 517 OG1 THR A 51 5.286 -1.235 -7.706 1.00 1.17 O ATOM 518 CG2 THR A 51 5.788 1.044 -8.320 1.00 0.89 C ATOM 0 H THR A 51 2.794 -1.613 -8.614 1.00 0.32 H new ATOM 0 HA THR A 51 3.482 0.660 -6.968 1.00 0.35 H new ATOM 0 HB THR A 51 4.757 -0.381 -9.525 1.00 0.47 H new ATOM 0 HG1 THR A 51 6.181 -1.489 -8.014 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.775 0.738 -8.668 1.00 0.89 H new ATOM 0 HG22 THR A 51 5.440 1.890 -8.913 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.847 1.336 -7.271 1.00 0.89 H new ATOM 526 N VAL A 52 2.556 2.522 -8.270 1.00 0.39 N ATOM 527 CA VAL A 52 1.990 3.656 -8.978 1.00 0.49 C ATOM 528 C VAL A 52 2.682 4.939 -8.547 1.00 0.58 C ATOM 529 O VAL A 52 3.022 5.100 -7.378 1.00 0.80 O ATOM 530 CB VAL A 52 0.471 3.791 -8.713 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.325 2.788 -9.537 1.00 1.38 C ATOM 532 CG2 VAL A 52 0.167 3.608 -7.233 1.00 1.04 C ATOM 0 H VAL A 52 2.704 2.684 -7.274 1.00 0.39 H new ATOM 0 HA VAL A 52 2.144 3.486 -10.044 1.00 0.49 H new ATOM 0 HB VAL A 52 0.171 4.795 -9.014 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.388 2.908 -9.329 1.00 1.38 H new ATOM 0 HG12 VAL A 52 -0.141 2.961 -10.597 1.00 1.38 H new ATOM 0 HG13 VAL A 52 -0.016 1.776 -9.276 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -0.906 3.706 -7.067 1.00 1.04 H new ATOM 0 HG22 VAL A 52 0.494 2.618 -6.914 1.00 1.04 H new ATOM 0 HG23 VAL A 52 0.695 4.368 -6.657 1.00 1.04 H new ATOM 542 N GLY A 53 2.916 5.841 -9.483 1.00 0.66 N ATOM 543 CA GLY A 53 3.478 7.121 -9.117 1.00 0.75 C ATOM 544 C GLY A 53 2.651 8.270 -9.639 1.00 0.81 C ATOM 545 O GLY A 53 2.854 8.719 -10.767 1.00 1.24 O ATOM 0 H GLY A 53 2.730 5.714 -10.478 1.00 0.66 H new ATOM 0 HA2 GLY A 53 3.549 7.189 -8.031 1.00 0.75 H new ATOM 0 HA3 GLY A 53 4.493 7.197 -9.508 1.00 0.75 H new ATOM 549 N ASP A 54 1.751 8.749 -8.780 1.00 0.71 N ATOM 550 CA ASP A 54 0.858 9.880 -9.051 1.00 0.82 C ATOM 551 C ASP A 54 -0.363 9.757 -8.148 1.00 0.70 C ATOM 552 O ASP A 54 -0.756 8.645 -7.792 1.00 0.64 O ATOM 553 CB ASP A 54 0.383 9.923 -10.508 1.00 1.08 C ATOM 554 CG ASP A 54 -0.379 11.191 -10.822 1.00 1.34 C ATOM 555 OD1 ASP A 54 -1.623 11.165 -10.791 1.00 1.75 O ATOM 556 OD2 ASP A 54 0.271 12.225 -11.084 1.00 1.98 O ATOM 0 H ASP A 54 1.618 8.351 -7.850 1.00 0.71 H new ATOM 0 HA ASP A 54 1.416 10.796 -8.859 1.00 0.82 H new ATOM 0 HB2 ASP A 54 1.244 9.845 -11.172 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -0.253 9.060 -10.707 1.00 1.08 H new ATOM 561 N GLU A 55 -0.973 10.878 -7.787 1.00 0.80 N ATOM 562 CA GLU A 55 -2.140 10.854 -6.916 1.00 0.79 C ATOM 563 C GLU A 55 -3.321 10.175 -7.603 1.00 0.69 C ATOM 564 O GLU A 55 -4.100 9.467 -6.963 1.00 0.71 O ATOM 565 CB GLU A 55 -2.532 12.269 -6.498 1.00 0.95 C ATOM 566 CG GLU A 55 -1.465 12.984 -5.688 1.00 0.90 C ATOM 567 CD GLU A 55 -1.965 14.281 -5.091 1.00 1.53 C ATOM 568 OE1 GLU A 55 -1.919 15.318 -5.786 1.00 2.16 O ATOM 569 OE2 GLU A 55 -2.421 14.266 -3.929 1.00 2.21 O ATOM 0 H GLU A 55 -0.681 11.810 -8.082 1.00 0.80 H new ATOM 0 HA GLU A 55 -1.876 10.282 -6.027 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -2.751 12.855 -7.391 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -3.451 12.224 -5.913 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -1.120 12.329 -4.888 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -0.605 13.189 -6.326 1.00 0.90 H new ATOM 576 N GLU A 56 -3.449 10.381 -8.907 1.00 0.70 N ATOM 577 CA GLU A 56 -4.557 9.811 -9.656 1.00 0.70 C ATOM 578 C GLU A 56 -4.281 8.351 -9.979 1.00 0.66 C ATOM 579 O GLU A 56 -5.204 7.545 -10.097 1.00 0.67 O ATOM 580 CB GLU A 56 -4.805 10.604 -10.936 1.00 0.82 C ATOM 581 CG GLU A 56 -5.102 12.072 -10.682 1.00 0.93 C ATOM 582 CD GLU A 56 -6.263 12.275 -9.732 1.00 1.33 C ATOM 583 OE1 GLU A 56 -6.023 12.423 -8.517 1.00 2.04 O ATOM 584 OE2 GLU A 56 -7.420 12.293 -10.194 1.00 1.89 O ATOM 0 H GLU A 56 -2.801 10.937 -9.465 1.00 0.70 H new ATOM 0 HA GLU A 56 -5.455 9.867 -9.040 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -3.930 10.523 -11.581 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -5.641 10.159 -11.475 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -4.214 12.553 -10.272 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -5.322 12.564 -11.630 1.00 0.93 H new ATOM 591 N GLU A 57 -3.004 8.017 -10.108 1.00 0.65 N ATOM 592 CA GLU A 57 -2.597 6.632 -10.290 1.00 0.65 C ATOM 593 C GLU A 57 -2.938 5.818 -9.049 1.00 0.55 C ATOM 594 O GLU A 57 -3.322 4.653 -9.144 1.00 0.52 O ATOM 595 CB GLU A 57 -1.101 6.543 -10.585 1.00 0.73 C ATOM 596 CG GLU A 57 -0.729 6.954 -11.999 1.00 1.11 C ATOM 597 CD GLU A 57 -1.137 5.917 -13.024 1.00 1.52 C ATOM 598 OE1 GLU A 57 -0.468 4.863 -13.109 1.00 2.13 O ATOM 599 OE2 GLU A 57 -2.125 6.149 -13.750 1.00 2.16 O ATOM 0 H GLU A 57 -2.234 8.686 -10.090 1.00 0.65 H new ATOM 0 HA GLU A 57 -3.140 6.222 -11.142 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -0.563 7.176 -9.879 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -0.767 5.520 -10.414 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -1.207 7.904 -12.237 1.00 1.11 H new ATOM 0 HG3 GLU A 57 0.347 7.115 -12.057 1.00 1.11 H new ATOM 606 N LEU A 58 -2.814 6.444 -7.881 1.00 0.52 N ATOM 607 CA LEU A 58 -3.158 5.784 -6.631 1.00 0.48 C ATOM 608 C LEU A 58 -4.655 5.497 -6.582 1.00 0.46 C ATOM 609 O LEU A 58 -5.074 4.462 -6.073 1.00 0.44 O ATOM 610 CB LEU A 58 -2.738 6.632 -5.425 1.00 0.52 C ATOM 611 CG LEU A 58 -2.906 5.949 -4.064 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.066 4.682 -3.987 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.534 6.899 -2.936 1.00 0.74 C ATOM 0 H LEU A 58 -2.480 7.402 -7.777 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.615 4.840 -6.584 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -1.693 6.916 -5.546 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.321 7.553 -5.427 1.00 0.52 H new ATOM 0 HG LEU A 58 -3.955 5.673 -3.953 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -2.201 4.214 -3.012 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -2.380 3.990 -4.768 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -1.015 4.934 -4.126 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -2.660 6.394 -1.978 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.495 7.208 -3.049 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.180 7.776 -2.971 1.00 0.74 H new ATOM 625 N LYS A 59 -5.451 6.409 -7.140 1.00 0.52 N ATOM 626 CA LYS A 59 -6.900 6.219 -7.231 1.00 0.57 C ATOM 627 C LYS A 59 -7.245 4.943 -7.978 1.00 0.51 C ATOM 628 O LYS A 59 -8.278 4.323 -7.734 1.00 0.58 O ATOM 629 CB LYS A 59 -7.560 7.419 -7.914 1.00 0.69 C ATOM 630 CG LYS A 59 -7.825 8.586 -6.976 1.00 0.76 C ATOM 631 CD LYS A 59 -8.198 9.854 -7.734 1.00 0.97 C ATOM 632 CE LYS A 59 -9.378 9.650 -8.677 1.00 1.64 C ATOM 633 NZ LYS A 59 -10.631 9.308 -7.958 1.00 2.26 N ATOM 0 H LYS A 59 -5.117 7.288 -7.536 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.284 6.134 -6.215 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -6.922 7.758 -8.730 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -8.503 7.100 -8.358 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -8.630 8.324 -6.290 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.938 8.773 -6.371 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -8.441 10.641 -7.020 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -7.336 10.197 -8.306 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -9.534 10.558 -9.259 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -9.140 8.855 -9.384 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -11.449 9.525 -8.563 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -10.632 8.295 -7.725 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -10.692 9.865 -7.082 1.00 2.26 H new ATOM 647 N LYS A 60 -6.364 4.551 -8.870 1.00 0.49 N ATOM 648 CA LYS A 60 -6.577 3.379 -9.693 1.00 0.48 C ATOM 649 C LYS A 60 -6.016 2.134 -9.021 1.00 0.41 C ATOM 650 O LYS A 60 -6.639 1.073 -9.048 1.00 0.41 O ATOM 651 CB LYS A 60 -5.925 3.623 -11.041 1.00 0.58 C ATOM 652 CG LYS A 60 -6.370 4.944 -11.638 1.00 0.72 C ATOM 653 CD LYS A 60 -5.510 5.352 -12.824 1.00 1.19 C ATOM 654 CE LYS A 60 -5.573 4.329 -13.946 1.00 1.91 C ATOM 655 NZ LYS A 60 -6.959 4.138 -14.454 1.00 2.35 N ATOM 0 H LYS A 60 -5.482 5.033 -9.046 1.00 0.49 H new ATOM 0 HA LYS A 60 -7.645 3.207 -9.830 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -4.841 3.619 -10.929 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -6.178 2.810 -11.722 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -7.410 4.867 -11.954 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -6.326 5.720 -10.874 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -5.841 6.321 -13.197 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -4.476 5.472 -12.499 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -4.929 4.650 -14.765 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -5.184 3.376 -13.589 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -6.935 3.566 -15.322 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -7.529 3.650 -13.734 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -7.383 5.064 -14.662 1.00 2.35 H new ATOM 669 N ALA A 61 -4.847 2.274 -8.405 1.00 0.40 N ATOM 670 CA ALA A 61 -4.243 1.183 -7.652 1.00 0.39 C ATOM 671 C ALA A 61 -5.163 0.750 -6.519 1.00 0.32 C ATOM 672 O ALA A 61 -5.421 -0.439 -6.328 1.00 0.34 O ATOM 673 CB ALA A 61 -2.893 1.607 -7.097 1.00 0.47 C ATOM 0 H ALA A 61 -4.299 3.134 -8.413 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.094 0.339 -8.325 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.454 0.781 -6.537 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.231 1.880 -7.919 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.024 2.464 -6.437 1.00 0.47 H new ATOM 679 N ILE A 62 -5.662 1.733 -5.782 1.00 0.31 N ATOM 680 CA ILE A 62 -6.586 1.486 -4.680 1.00 0.37 C ATOM 681 C ILE A 62 -7.849 0.782 -5.174 1.00 0.36 C ATOM 682 O ILE A 62 -8.277 -0.222 -4.603 1.00 0.38 O ATOM 683 CB ILE A 62 -6.983 2.805 -3.972 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.771 3.437 -3.287 1.00 0.45 C ATOM 685 CG2 ILE A 62 -8.088 2.566 -2.957 1.00 0.83 C ATOM 686 CD1 ILE A 62 -6.065 4.779 -2.654 1.00 0.53 C ATOM 0 H ILE A 62 -5.441 2.718 -5.928 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.070 0.843 -3.967 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.354 3.492 -4.732 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.401 2.756 -2.520 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -4.972 3.557 -4.019 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -8.348 3.508 -2.474 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -8.965 2.163 -3.463 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -7.744 1.856 -2.205 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -5.160 5.167 -2.187 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.406 5.476 -3.420 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -6.842 4.662 -1.898 1.00 0.53 H new ATOM 698 N LYS A 63 -8.423 1.300 -6.251 1.00 0.37 N ATOM 699 CA LYS A 63 -9.682 0.783 -6.771 1.00 0.40 C ATOM 700 C LYS A 63 -9.511 -0.624 -7.342 1.00 0.35 C ATOM 701 O LYS A 63 -10.418 -1.457 -7.247 1.00 0.40 O ATOM 702 CB LYS A 63 -10.232 1.727 -7.838 1.00 0.49 C ATOM 703 CG LYS A 63 -11.630 1.368 -8.314 1.00 0.59 C ATOM 704 CD LYS A 63 -12.202 2.438 -9.230 1.00 1.21 C ATOM 705 CE LYS A 63 -11.344 2.644 -10.469 1.00 1.94 C ATOM 706 NZ LYS A 63 -11.873 3.728 -11.334 1.00 2.76 N ATOM 0 H LYS A 63 -8.036 2.080 -6.783 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.392 0.723 -5.946 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.243 2.742 -7.441 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.556 1.727 -8.693 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.602 0.414 -8.841 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.286 1.237 -7.453 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -13.211 2.157 -9.530 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -12.282 3.378 -8.684 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -10.324 2.884 -10.169 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -11.298 1.715 -11.038 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -11.261 3.837 -12.167 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -12.837 3.487 -11.642 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -11.893 4.620 -10.800 1.00 2.76 H new ATOM 720 N LYS A 64 -8.348 -0.892 -7.924 1.00 0.34 N ATOM 721 CA LYS A 64 -8.073 -2.198 -8.502 1.00 0.39 C ATOM 722 C LYS A 64 -7.854 -3.229 -7.399 1.00 0.35 C ATOM 723 O LYS A 64 -8.301 -4.369 -7.506 1.00 0.40 O ATOM 724 CB LYS A 64 -6.858 -2.129 -9.430 1.00 0.51 C ATOM 725 CG LYS A 64 -6.785 -3.277 -10.427 1.00 1.05 C ATOM 726 CD LYS A 64 -5.706 -3.045 -11.474 1.00 1.04 C ATOM 727 CE LYS A 64 -4.310 -3.290 -10.923 1.00 1.59 C ATOM 728 NZ LYS A 64 -4.057 -4.734 -10.672 1.00 2.11 N ATOM 0 H LYS A 64 -7.583 -0.223 -8.007 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.935 -2.506 -9.094 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -6.882 -1.186 -9.976 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -5.950 -2.125 -8.826 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -6.583 -4.208 -9.896 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -7.751 -3.394 -10.919 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -5.880 -3.704 -12.325 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -5.775 -2.022 -11.844 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -3.570 -2.909 -11.627 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -4.183 -2.733 -9.995 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -3.039 -4.888 -10.527 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -4.577 -5.035 -9.823 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -4.378 -5.290 -11.490 1.00 2.11 H new ATOM 742 N ALA A 65 -7.181 -2.814 -6.329 1.00 0.30 N ATOM 743 CA ALA A 65 -6.966 -3.680 -5.173 1.00 0.30 C ATOM 744 C ALA A 65 -8.297 -4.021 -4.508 1.00 0.33 C ATOM 745 O ALA A 65 -8.514 -5.148 -4.060 1.00 0.38 O ATOM 746 CB ALA A 65 -6.031 -3.011 -4.176 1.00 0.31 C ATOM 0 H ALA A 65 -6.775 -1.883 -6.238 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.503 -4.606 -5.515 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -5.881 -3.669 -3.320 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.072 -2.812 -4.654 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.470 -2.072 -3.839 1.00 0.31 H new ATOM 752 N ASP A 66 -9.181 -3.028 -4.461 1.00 0.35 N ATOM 753 CA ASP A 66 -10.532 -3.198 -3.930 1.00 0.41 C ATOM 754 C ASP A 66 -11.274 -4.313 -4.665 1.00 0.40 C ATOM 755 O ASP A 66 -11.922 -5.162 -4.048 1.00 0.47 O ATOM 756 CB ASP A 66 -11.302 -1.878 -4.071 1.00 0.48 C ATOM 757 CG ASP A 66 -12.768 -1.992 -3.696 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.578 -2.383 -4.564 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.126 -1.659 -2.543 1.00 1.36 O ATOM 0 H ASP A 66 -8.982 -2.083 -4.790 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.461 -3.475 -2.878 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -10.831 -1.123 -3.442 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.224 -1.529 -5.101 1.00 0.48 H new ATOM 764 N ASP A 67 -11.151 -4.308 -5.989 1.00 0.36 N ATOM 765 CA ASP A 67 -11.853 -5.265 -6.839 1.00 0.38 C ATOM 766 C ASP A 67 -11.342 -6.688 -6.628 1.00 0.40 C ATOM 767 O ASP A 67 -12.131 -7.628 -6.524 1.00 0.48 O ATOM 768 CB ASP A 67 -11.706 -4.866 -8.310 1.00 0.42 C ATOM 769 CG ASP A 67 -12.271 -5.904 -9.258 1.00 0.95 C ATOM 770 OD1 ASP A 67 -11.494 -6.470 -10.058 1.00 1.66 O ATOM 771 OD2 ASP A 67 -13.492 -6.167 -9.206 1.00 1.68 O ATOM 0 H ASP A 67 -10.567 -3.646 -6.500 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.907 -5.247 -6.561 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -12.212 -3.915 -8.476 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -10.651 -4.710 -8.536 1.00 0.42 H new ATOM 776 N ILE A 68 -10.024 -6.837 -6.552 1.00 0.37 N ATOM 777 CA ILE A 68 -9.411 -8.153 -6.382 1.00 0.41 C ATOM 778 C ILE A 68 -9.816 -8.776 -5.050 1.00 0.41 C ATOM 779 O ILE A 68 -10.085 -9.975 -4.966 1.00 0.47 O ATOM 780 CB ILE A 68 -7.872 -8.068 -6.425 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.405 -7.374 -7.705 1.00 0.46 C ATOM 782 CG2 ILE A 68 -7.260 -9.461 -6.321 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.924 -7.060 -7.713 1.00 0.51 C ATOM 0 H ILE A 68 -9.359 -6.065 -6.605 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.765 -8.772 -7.207 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.537 -7.476 -5.573 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.639 -8.009 -8.560 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.966 -6.448 -7.833 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -6.173 -9.384 -6.353 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.564 -9.923 -5.382 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.605 -10.073 -7.154 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.661 -6.569 -8.650 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.687 -6.400 -6.878 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.355 -7.985 -7.617 1.00 0.51 H new ATOM 795 N ALA A 69 -9.861 -7.946 -4.018 1.00 0.39 N ATOM 796 CA ALA A 69 -10.119 -8.414 -2.668 1.00 0.43 C ATOM 797 C ALA A 69 -11.496 -9.056 -2.539 1.00 0.47 C ATOM 798 O ALA A 69 -11.613 -10.265 -2.321 1.00 0.53 O ATOM 799 CB ALA A 69 -9.983 -7.264 -1.683 1.00 0.46 C ATOM 0 H ALA A 69 -9.721 -6.938 -4.093 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.378 -9.180 -2.438 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -10.178 -7.625 -0.673 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -8.973 -6.859 -1.734 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.701 -6.483 -1.934 1.00 0.46 H new ATOM 805 N LYS A 70 -12.535 -8.253 -2.696 1.00 0.52 N ATOM 806 CA LYS A 70 -13.894 -8.707 -2.431 1.00 0.65 C ATOM 807 C LYS A 70 -14.402 -9.662 -3.492 1.00 0.63 C ATOM 808 O LYS A 70 -15.476 -10.243 -3.337 1.00 0.72 O ATOM 809 CB LYS A 70 -14.852 -7.541 -2.327 1.00 0.87 C ATOM 810 CG LYS A 70 -14.909 -6.674 -3.575 1.00 1.09 C ATOM 811 CD LYS A 70 -15.642 -5.369 -3.317 1.00 1.14 C ATOM 812 CE LYS A 70 -14.840 -4.456 -2.405 1.00 1.14 C ATOM 813 NZ LYS A 70 -15.459 -3.113 -2.277 1.00 1.50 N ATOM 0 H LYS A 70 -12.466 -7.284 -3.005 1.00 0.52 H new ATOM 0 HA LYS A 70 -13.852 -9.236 -1.479 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -15.851 -7.923 -2.116 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -14.562 -6.921 -1.479 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -13.896 -6.461 -3.917 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -15.408 -7.220 -4.375 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -15.834 -4.864 -4.264 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -16.612 -5.577 -2.865 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -14.756 -4.912 -1.418 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -13.828 -4.353 -2.795 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -14.714 -2.397 -2.163 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -16.013 -2.903 -3.132 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -16.085 -3.097 -1.446 1.00 1.50 H new ATOM 827 N LYS A 71 -13.651 -9.784 -4.576 1.00 0.62 N ATOM 828 CA LYS A 71 -13.996 -10.696 -5.653 1.00 0.76 C ATOM 829 C LYS A 71 -14.424 -12.050 -5.103 1.00 0.83 C ATOM 830 O LYS A 71 -15.449 -12.600 -5.510 1.00 1.03 O ATOM 831 CB LYS A 71 -12.798 -10.885 -6.586 1.00 0.84 C ATOM 832 CG LYS A 71 -13.046 -11.880 -7.708 1.00 1.26 C ATOM 833 CD LYS A 71 -11.776 -12.164 -8.487 1.00 1.71 C ATOM 834 CE LYS A 71 -12.022 -13.142 -9.624 1.00 2.27 C ATOM 835 NZ LYS A 71 -10.773 -13.452 -10.368 1.00 2.71 N ATOM 0 H LYS A 71 -12.792 -9.257 -4.732 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.828 -10.263 -6.208 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -12.531 -9.921 -7.020 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -11.942 -11.218 -6.000 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -13.435 -12.809 -7.293 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -13.808 -11.488 -8.382 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -11.379 -11.232 -8.888 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -11.020 -12.570 -7.815 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -12.445 -14.064 -9.225 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -12.759 -12.724 -10.310 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -10.983 -14.122 -11.135 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -10.382 -12.576 -10.771 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -10.078 -13.875 -9.720 1.00 2.71 H new ATOM 917 N ALA A 77 -10.296 -6.963 3.625 1.00 0.55 N ATOM 918 CA ALA A 77 -8.884 -7.167 3.352 1.00 0.44 C ATOM 919 C ALA A 77 -8.042 -6.119 4.052 1.00 0.37 C ATOM 920 O ALA A 77 -8.565 -5.137 4.583 1.00 0.42 O ATOM 921 CB ALA A 77 -8.624 -7.126 1.855 1.00 0.71 C ATOM 0 HA ALA A 77 -8.604 -8.148 3.735 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -7.562 -7.280 1.666 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -9.198 -7.912 1.364 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -8.926 -6.156 1.460 1.00 0.71 H new ATOM 927 N LYS A 78 -6.738 -6.327 4.041 1.00 0.35 N ATOM 928 CA LYS A 78 -5.813 -5.396 4.653 1.00 0.37 C ATOM 929 C LYS A 78 -4.845 -4.890 3.595 1.00 0.33 C ATOM 930 O LYS A 78 -4.203 -5.677 2.899 1.00 0.37 O ATOM 931 CB LYS A 78 -5.059 -6.069 5.802 1.00 0.50 C ATOM 932 CG LYS A 78 -5.974 -6.794 6.781 1.00 0.63 C ATOM 933 CD LYS A 78 -5.210 -7.344 7.974 1.00 0.89 C ATOM 934 CE LYS A 78 -4.767 -6.235 8.912 1.00 1.04 C ATOM 935 NZ LYS A 78 -5.921 -5.546 9.552 1.00 1.67 N ATOM 0 H LYS A 78 -6.295 -7.139 3.611 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.365 -4.552 5.067 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.343 -6.780 5.390 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -4.485 -5.315 6.342 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -6.747 -6.109 7.130 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.480 -7.611 6.267 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -5.839 -8.050 8.516 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -4.338 -7.897 7.625 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -4.121 -6.651 9.685 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -4.174 -5.508 8.358 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -5.815 -4.517 9.442 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -6.804 -5.854 9.098 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -5.951 -5.785 10.564 1.00 1.67 H new ATOM 949 N ILE A 79 -4.766 -3.580 3.460 1.00 0.29 N ATOM 950 CA ILE A 79 -3.952 -2.970 2.424 1.00 0.29 C ATOM 951 C ILE A 79 -2.897 -2.069 3.053 1.00 0.29 C ATOM 952 O ILE A 79 -3.129 -1.482 4.104 1.00 0.40 O ATOM 953 CB ILE A 79 -4.827 -2.143 1.446 1.00 0.31 C ATOM 954 CG1 ILE A 79 -5.985 -2.995 0.911 1.00 0.37 C ATOM 955 CG2 ILE A 79 -3.991 -1.602 0.291 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.919 -2.247 -0.020 1.00 0.49 C ATOM 0 H ILE A 79 -5.257 -2.915 4.057 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.463 -3.767 1.863 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.239 -1.296 1.995 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.576 -3.857 0.384 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.559 -3.380 1.754 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.628 -1.026 -0.380 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.202 -0.960 0.682 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.545 -2.433 -0.256 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.711 -2.916 -0.356 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.359 -1.401 0.508 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.360 -1.885 -0.883 1.00 0.49 H new ATOM 968 N LEU A 80 -1.738 -1.990 2.431 1.00 0.23 N ATOM 969 CA LEU A 80 -0.688 -1.090 2.876 1.00 0.28 C ATOM 970 C LEU A 80 -0.371 -0.117 1.748 1.00 0.30 C ATOM 971 O LEU A 80 -0.171 -0.532 0.614 1.00 0.45 O ATOM 972 CB LEU A 80 0.569 -1.893 3.251 1.00 0.40 C ATOM 973 CG LEU A 80 1.491 -1.269 4.312 1.00 0.57 C ATOM 974 CD1 LEU A 80 2.717 -2.140 4.517 1.00 1.22 C ATOM 975 CD2 LEU A 80 1.920 0.138 3.936 1.00 1.40 C ATOM 0 H LEU A 80 -1.496 -2.543 1.608 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.020 -0.539 3.756 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.254 -2.874 3.607 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.153 -2.056 2.345 1.00 0.40 H new ATOM 0 HG LEU A 80 0.923 -1.208 5.240 1.00 0.57 H new ATOM 0 HD11 LEU A 80 3.362 -1.688 5.270 1.00 1.22 H new ATOM 0 HD12 LEU A 80 2.408 -3.131 4.851 1.00 1.22 H new ATOM 0 HD13 LEU A 80 3.262 -2.228 3.577 1.00 1.22 H new ATOM 0 HD21 LEU A 80 2.570 0.540 4.713 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.459 0.113 2.989 1.00 1.40 H new ATOM 0 HD23 LEU A 80 1.039 0.772 3.835 1.00 1.40 H new ATOM 987 N ILE A 81 -0.353 1.168 2.045 1.00 0.27 N ATOM 988 CA ILE A 81 0.061 2.158 1.064 1.00 0.27 C ATOM 989 C ILE A 81 1.302 2.890 1.552 1.00 0.27 C ATOM 990 O ILE A 81 1.261 3.601 2.555 1.00 0.33 O ATOM 991 CB ILE A 81 -1.056 3.181 0.747 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.230 2.499 0.042 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.511 4.302 -0.132 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.462 3.374 -0.067 1.00 0.38 C ATOM 0 H ILE A 81 -0.618 1.552 2.952 1.00 0.27 H new ATOM 0 HA ILE A 81 0.283 1.620 0.142 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.409 3.602 1.689 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -1.918 2.199 -0.958 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.488 1.588 0.582 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.307 5.015 -0.348 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.301 4.811 0.388 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.137 3.883 -1.066 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.254 2.826 -0.578 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -3.799 3.653 0.931 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.220 4.274 -0.633 1.00 0.38 H new ATOM 1006 N LEU A 82 2.406 2.679 0.858 1.00 0.27 N ATOM 1007 CA LEU A 82 3.653 3.367 1.155 1.00 0.31 C ATOM 1008 C LEU A 82 3.752 4.627 0.312 1.00 0.34 C ATOM 1009 O LEU A 82 4.074 4.564 -0.867 1.00 0.59 O ATOM 1010 CB LEU A 82 4.842 2.452 0.858 1.00 0.43 C ATOM 1011 CG LEU A 82 4.876 1.145 1.649 1.00 0.76 C ATOM 1012 CD1 LEU A 82 5.952 0.227 1.104 1.00 1.61 C ATOM 1013 CD2 LEU A 82 5.119 1.422 3.121 1.00 1.08 C ATOM 0 H LEU A 82 2.465 2.028 0.075 1.00 0.27 H new ATOM 0 HA LEU A 82 3.669 3.635 2.211 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.839 2.213 -0.206 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.761 3.002 1.058 1.00 0.43 H new ATOM 0 HG LEU A 82 3.910 0.652 1.543 1.00 0.76 H new ATOM 0 HD11 LEU A 82 5.964 -0.700 1.677 1.00 1.61 H new ATOM 0 HD12 LEU A 82 5.744 0.004 0.058 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.923 0.716 1.184 1.00 1.61 H new ATOM 0 HD21 LEU A 82 5.140 0.480 3.670 1.00 1.08 H new ATOM 0 HD22 LEU A 82 6.073 1.934 3.242 1.00 1.08 H new ATOM 0 HD23 LEU A 82 4.318 2.051 3.510 1.00 1.08 H new ATOM 1025 N LEU A 83 3.470 5.769 0.905 1.00 0.35 N ATOM 1026 CA LEU A 83 3.435 7.012 0.153 1.00 0.42 C ATOM 1027 C LEU A 83 4.385 8.032 0.745 1.00 0.44 C ATOM 1028 O LEU A 83 4.499 8.148 1.966 1.00 0.55 O ATOM 1029 CB LEU A 83 2.012 7.600 0.088 1.00 0.45 C ATOM 1030 CG LEU A 83 1.310 7.920 1.425 1.00 0.49 C ATOM 1031 CD1 LEU A 83 0.095 8.789 1.162 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.868 6.663 2.154 1.00 1.13 C ATOM 0 H LEU A 83 3.263 5.865 1.899 1.00 0.35 H new ATOM 0 HA LEU A 83 3.754 6.778 -0.863 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.054 8.518 -0.498 1.00 0.45 H new ATOM 0 HB3 LEU A 83 1.384 6.900 -0.462 1.00 0.45 H new ATOM 0 HG LEU A 83 2.029 8.441 2.057 1.00 0.49 H new ATOM 0 HD11 LEU A 83 -0.401 9.016 2.106 1.00 1.17 H new ATOM 0 HD12 LEU A 83 0.408 9.718 0.685 1.00 1.17 H new ATOM 0 HD13 LEU A 83 -0.596 8.259 0.506 1.00 1.17 H new ATOM 0 HD21 LEU A 83 0.379 6.937 3.089 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.169 6.107 1.529 1.00 1.13 H new ATOM 0 HD23 LEU A 83 1.738 6.042 2.368 1.00 1.13 H new ATOM 1044 N GLU A 84 5.087 8.763 -0.111 1.00 0.43 N ATOM 1045 CA GLU A 84 5.907 9.849 0.380 1.00 0.45 C ATOM 1046 C GLU A 84 5.122 11.148 0.297 1.00 0.47 C ATOM 1047 O GLU A 84 5.025 11.771 -0.765 1.00 0.54 O ATOM 1048 CB GLU A 84 7.196 9.963 -0.441 1.00 0.55 C ATOM 1049 CG GLU A 84 8.110 11.094 0.010 1.00 1.29 C ATOM 1050 CD GLU A 84 9.312 11.270 -0.892 1.00 1.47 C ATOM 1051 OE1 GLU A 84 10.429 10.882 -0.493 1.00 1.94 O ATOM 1052 OE2 GLU A 84 9.145 11.805 -2.011 1.00 2.04 O ATOM 0 H GLU A 84 5.103 8.626 -1.122 1.00 0.43 H new ATOM 0 HA GLU A 84 6.177 9.650 1.417 1.00 0.45 H new ATOM 0 HB2 GLU A 84 7.741 9.021 -0.379 1.00 0.55 H new ATOM 0 HB3 GLU A 84 6.937 10.113 -1.489 1.00 0.55 H new ATOM 0 HG2 GLU A 84 7.543 12.024 0.038 1.00 1.29 H new ATOM 0 HG3 GLU A 84 8.450 10.897 1.027 1.00 1.29 H new ATOM 1059 N LYS A 85 4.561 11.528 1.429 1.00 0.45 N ATOM 1060 CA LYS A 85 3.937 12.825 1.624 1.00 0.56 C ATOM 1061 C LYS A 85 3.486 12.918 3.078 1.00 0.53 C ATOM 1062 O LYS A 85 3.518 11.911 3.792 1.00 0.53 O ATOM 1063 CB LYS A 85 2.759 13.024 0.657 1.00 0.74 C ATOM 1064 CG LYS A 85 1.604 12.057 0.853 1.00 1.00 C ATOM 1065 CD LYS A 85 0.628 12.125 -0.314 1.00 0.91 C ATOM 1066 CE LYS A 85 0.130 13.543 -0.556 1.00 1.66 C ATOM 1067 NZ LYS A 85 -0.727 13.632 -1.768 1.00 2.02 N ATOM 0 H LYS A 85 4.525 10.932 2.256 1.00 0.45 H new ATOM 0 HA LYS A 85 4.652 13.619 1.409 1.00 0.56 H new ATOM 0 HB2 LYS A 85 2.385 14.042 0.767 1.00 0.74 H new ATOM 0 HB3 LYS A 85 3.126 12.928 -0.365 1.00 0.74 H new ATOM 0 HG2 LYS A 85 1.988 11.042 0.951 1.00 1.00 H new ATOM 0 HG3 LYS A 85 1.083 12.292 1.781 1.00 1.00 H new ATOM 0 HD2 LYS A 85 1.114 11.752 -1.216 1.00 0.91 H new ATOM 0 HD3 LYS A 85 -0.221 11.471 -0.116 1.00 0.91 H new ATOM 0 HE2 LYS A 85 -0.434 13.883 0.313 1.00 1.66 H new ATOM 0 HE3 LYS A 85 0.983 14.213 -0.665 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -0.948 14.629 -1.965 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -0.223 13.222 -2.580 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -1.610 13.107 -1.608 1.00 2.02 H new ATOM 1081 N PRO A 86 3.088 14.104 3.556 1.00 0.60 N ATOM 1082 CA PRO A 86 2.481 14.243 4.875 1.00 0.62 C ATOM 1083 C PRO A 86 1.042 13.773 4.860 1.00 0.61 C ATOM 1084 O PRO A 86 0.220 14.259 4.077 1.00 0.68 O ATOM 1085 CB PRO A 86 2.559 15.746 5.176 1.00 0.74 C ATOM 1086 CG PRO A 86 3.320 16.355 4.042 1.00 0.85 C ATOM 1087 CD PRO A 86 3.211 15.402 2.886 1.00 0.74 C ATOM 0 HA PRO A 86 2.989 13.641 5.629 1.00 0.62 H new ATOM 0 HB2 PRO A 86 1.562 16.180 5.255 1.00 0.74 H new ATOM 0 HB3 PRO A 86 3.062 15.928 6.126 1.00 0.74 H new ATOM 0 HG2 PRO A 86 2.909 17.330 3.780 1.00 0.85 H new ATOM 0 HG3 PRO A 86 4.363 16.512 4.316 1.00 0.85 H new ATOM 0 HD2 PRO A 86 2.345 15.620 2.261 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.089 15.444 2.241 1.00 0.74 H new ATOM 1095 N VAL A 87 0.748 12.814 5.712 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.559 12.199 5.734 1.00 0.62 C ATOM 1097 C VAL A 87 -1.367 12.688 6.928 1.00 0.62 C ATOM 1098 O VAL A 87 -0.958 12.524 8.076 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.448 10.667 5.795 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -1.803 10.038 5.568 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.563 10.152 4.780 1.00 0.88 C ATOM 0 H VAL A 87 1.402 12.443 6.402 1.00 0.59 H new ATOM 0 HA VAL A 87 -1.067 12.483 4.813 1.00 0.62 H new ATOM 0 HB VAL A 87 -0.095 10.387 6.787 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -1.713 8.953 5.613 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -2.495 10.377 6.339 1.00 1.17 H new ATOM 0 HG13 VAL A 87 -2.180 10.330 4.588 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.622 9.065 4.844 1.00 0.88 H new ATOM 0 HG22 VAL A 87 0.250 10.440 3.776 1.00 0.88 H new ATOM 0 HG23 VAL A 87 1.542 10.582 4.992 1.00 0.88 H new ATOM 1111 N SER A 88 -2.504 13.301 6.650 1.00 0.69 N ATOM 1112 CA SER A 88 -3.399 13.752 7.698 1.00 0.76 C ATOM 1113 C SER A 88 -4.423 12.660 8.020 1.00 0.72 C ATOM 1114 O SER A 88 -4.632 11.761 7.204 1.00 0.69 O ATOM 1115 CB SER A 88 -4.094 15.039 7.254 1.00 0.92 C ATOM 1116 OG SER A 88 -3.138 16.022 6.885 1.00 1.44 O ATOM 0 H SER A 88 -2.829 13.498 5.703 1.00 0.69 H new ATOM 0 HA SER A 88 -2.828 13.957 8.604 1.00 0.76 H new ATOM 0 HB2 SER A 88 -4.753 14.831 6.411 1.00 0.92 H new ATOM 0 HB3 SER A 88 -4.720 15.418 8.062 1.00 0.92 H new ATOM 0 HG SER A 88 -3.601 16.838 6.602 1.00 1.44 H new ATOM 1122 N PRO A 89 -5.044 12.688 9.213 1.00 0.78 N ATOM 1123 CA PRO A 89 -6.043 11.686 9.613 1.00 0.79 C ATOM 1124 C PRO A 89 -7.119 11.476 8.547 1.00 0.67 C ATOM 1125 O PRO A 89 -7.410 10.342 8.155 1.00 0.65 O ATOM 1126 CB PRO A 89 -6.661 12.264 10.896 1.00 0.98 C ATOM 1127 CG PRO A 89 -6.111 13.649 11.031 1.00 1.14 C ATOM 1128 CD PRO A 89 -4.812 13.668 10.280 1.00 0.92 C ATOM 0 HA PRO A 89 -5.589 10.706 9.756 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -7.749 12.281 10.832 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -6.402 11.655 11.762 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -6.805 14.383 10.623 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -5.957 13.904 12.079 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -4.590 14.657 9.880 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -3.973 13.385 10.915 1.00 0.92 H new ATOM 1136 N GLU A 90 -7.688 12.577 8.071 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.703 12.536 7.025 1.00 0.72 C ATOM 1138 C GLU A 90 -8.175 11.859 5.763 1.00 0.64 C ATOM 1139 O GLU A 90 -8.892 11.097 5.121 1.00 0.68 O ATOM 1140 CB GLU A 90 -9.188 13.950 6.692 1.00 0.87 C ATOM 1141 CG GLU A 90 -10.249 14.486 7.644 1.00 1.24 C ATOM 1142 CD GLU A 90 -9.850 14.388 9.102 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -8.792 14.933 9.476 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -10.602 13.770 9.885 1.00 2.37 O ATOM 0 H GLU A 90 -7.461 13.517 8.396 1.00 0.71 H new ATOM 0 HA GLU A 90 -9.541 11.950 7.402 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -8.333 14.627 6.700 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -9.589 13.955 5.679 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -10.453 15.528 7.400 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -11.177 13.935 7.491 1.00 1.24 H new ATOM 1151 N TYR A 91 -6.916 12.121 5.430 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.306 11.579 4.217 1.00 0.62 C ATOM 1153 C TYR A 91 -6.337 10.052 4.249 1.00 0.52 C ATOM 1154 O TYR A 91 -6.611 9.403 3.238 1.00 0.52 O ATOM 1155 CB TYR A 91 -4.861 12.073 4.086 1.00 0.72 C ATOM 1156 CG TYR A 91 -4.305 12.015 2.677 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -4.305 13.146 1.869 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -3.778 10.839 2.156 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -3.794 13.108 0.586 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -3.267 10.794 0.871 1.00 3.00 C ATOM 1161 CZ TYR A 91 -3.278 11.930 0.092 1.00 2.89 C ATOM 1162 OH TYR A 91 -2.769 11.889 -1.189 1.00 3.78 O ATOM 0 H TYR A 91 -6.294 12.708 5.985 1.00 0.62 H new ATOM 0 HA TYR A 91 -6.876 11.925 3.354 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -4.808 13.102 4.443 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.225 11.476 4.739 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -4.712 14.071 2.251 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -3.767 9.946 2.764 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -3.799 13.997 -0.027 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -2.861 9.872 0.481 1.00 3.00 H new ATOM 0 HH TYR A 91 -2.444 10.985 -1.383 1.00 3.78 H new ATOM 1172 N GLU A 92 -6.066 9.493 5.425 1.00 0.48 N ATOM 1173 CA GLU A 92 -6.103 8.056 5.633 1.00 0.42 C ATOM 1174 C GLU A 92 -7.480 7.495 5.313 1.00 0.42 C ATOM 1175 O GLU A 92 -7.622 6.602 4.479 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.756 7.740 7.085 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.814 6.262 7.422 1.00 0.49 C ATOM 1178 CD GLU A 92 -5.531 6.005 8.887 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -6.487 5.980 9.692 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -4.348 5.835 9.245 1.00 1.14 O ATOM 0 H GLU A 92 -5.815 10.026 6.257 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.375 7.595 4.966 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.754 8.112 7.298 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -6.442 8.279 7.738 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.799 5.870 7.168 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -5.090 5.722 6.812 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.493 8.043 5.972 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.841 7.520 5.860 1.00 0.54 C ATOM 1189 C LYS A 93 -10.438 7.794 4.484 1.00 0.53 C ATOM 1190 O LYS A 93 -11.406 7.156 4.097 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.737 8.077 6.971 1.00 0.69 C ATOM 1192 CG LYS A 93 -10.880 9.589 6.965 1.00 1.51 C ATOM 1193 CD LYS A 93 -11.606 10.081 8.208 1.00 2.25 C ATOM 1194 CE LYS A 93 -13.002 9.484 8.318 1.00 2.80 C ATOM 1195 NZ LYS A 93 -13.686 9.889 9.571 1.00 3.25 N ATOM 0 H LYS A 93 -8.403 8.850 6.589 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.785 6.438 5.980 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -11.727 7.631 6.880 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -10.335 7.766 7.935 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -9.893 10.049 6.911 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -11.426 9.901 6.075 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -11.028 9.820 9.094 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -11.676 11.168 8.182 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -13.599 9.799 7.462 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -12.935 8.397 8.277 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -14.633 9.460 9.604 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -13.131 9.567 10.389 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -13.774 10.925 9.599 1.00 3.25 H new ATOM 1209 N LYS A 94 -9.859 8.734 3.742 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.269 8.954 2.358 1.00 0.59 C ATOM 1211 C LYS A 94 -9.903 7.741 1.515 1.00 0.52 C ATOM 1212 O LYS A 94 -10.727 7.210 0.773 1.00 0.57 O ATOM 1213 CB LYS A 94 -9.607 10.202 1.764 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.009 11.508 2.429 1.00 1.19 C ATOM 1215 CD LYS A 94 -11.515 11.711 2.426 1.00 1.48 C ATOM 1216 CE LYS A 94 -11.888 13.094 2.937 1.00 1.97 C ATOM 1217 NZ LYS A 94 -11.398 14.175 2.039 1.00 2.44 N ATOM 0 H LYS A 94 -9.114 9.349 4.070 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.348 9.105 2.351 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -8.525 10.092 1.834 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -9.853 10.258 0.704 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -9.644 11.519 3.456 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -9.530 12.340 1.912 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -11.900 11.579 1.415 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -11.988 10.951 3.049 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -12.972 13.165 3.031 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -11.472 13.236 3.934 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -11.903 15.059 2.252 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -10.378 14.314 2.188 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -11.570 13.908 1.049 1.00 2.44 H new ATOM 1231 N LEU A 95 -8.662 7.294 1.655 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.173 6.144 0.908 1.00 0.45 C ATOM 1233 C LEU A 95 -8.795 4.862 1.452 1.00 0.39 C ATOM 1234 O LEU A 95 -9.115 3.940 0.702 1.00 0.41 O ATOM 1235 CB LEU A 95 -6.646 6.059 0.998 1.00 0.46 C ATOM 1236 CG LEU A 95 -5.891 7.348 0.652 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -4.390 7.123 0.745 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -6.273 7.850 -0.734 1.00 1.12 C ATOM 0 H LEU A 95 -7.974 7.712 2.281 1.00 0.47 H new ATOM 0 HA LEU A 95 -8.458 6.263 -0.137 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.375 5.761 2.011 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.304 5.268 0.331 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.174 8.113 1.375 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -3.868 8.047 0.497 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.130 6.820 1.759 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -4.095 6.340 0.046 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -5.723 8.765 -0.954 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.026 7.091 -1.477 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -7.343 8.054 -0.765 1.00 1.12 H new ATOM 1250 N GLN A 96 -8.973 4.831 2.767 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.548 3.682 3.455 1.00 0.40 C ATOM 1252 C GLN A 96 -11.039 3.544 3.128 1.00 0.45 C ATOM 1253 O GLN A 96 -11.594 2.450 3.175 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.319 3.839 4.965 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.713 2.636 5.808 1.00 0.60 C ATOM 1256 CD GLN A 96 -9.280 2.781 7.251 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -8.184 2.364 7.625 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -10.130 3.381 8.068 1.00 2.20 N ATOM 0 H GLN A 96 -8.723 5.602 3.386 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.059 2.769 3.115 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.264 4.053 5.136 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -9.880 4.706 5.313 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -10.794 2.504 5.767 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.266 1.736 5.385 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -11.029 3.712 7.716 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -9.887 3.513 9.050 1.00 2.20 H new ATOM 1267 N LYS A 97 -11.685 4.664 2.823 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.079 4.653 2.380 1.00 0.64 C ATOM 1269 C LYS A 97 -13.178 4.335 0.886 1.00 0.65 C ATOM 1270 O LYS A 97 -14.166 3.758 0.426 1.00 0.72 O ATOM 1271 CB LYS A 97 -13.738 6.003 2.665 1.00 0.78 C ATOM 1272 CG LYS A 97 -15.213 6.055 2.312 1.00 1.44 C ATOM 1273 CD LYS A 97 -15.782 7.444 2.527 1.00 1.95 C ATOM 1274 CE LYS A 97 -17.250 7.516 2.146 1.00 2.39 C ATOM 1275 NZ LYS A 97 -17.465 7.256 0.698 1.00 2.87 N ATOM 0 H LYS A 97 -11.267 5.593 2.874 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.601 3.874 2.936 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.619 6.238 3.723 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -13.213 6.778 2.106 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -15.351 5.760 1.272 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -15.761 5.337 2.922 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -15.663 7.728 3.573 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -15.217 8.164 1.935 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -17.812 6.789 2.732 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -17.642 8.501 2.399 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -18.440 7.512 0.440 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -16.798 7.827 0.140 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -17.308 6.247 0.499 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.156 4.736 0.133 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.136 4.550 -1.317 1.00 0.68 C ATOM 1291 C TYR A 98 -12.215 3.064 -1.661 1.00 0.64 C ATOM 1292 O TYR A 98 -13.033 2.643 -2.483 1.00 0.73 O ATOM 1293 CB TYR A 98 -10.863 5.168 -1.899 1.00 0.71 C ATOM 1294 CG TYR A 98 -10.974 5.573 -3.352 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -10.557 4.727 -4.369 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -11.485 6.817 -3.701 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -10.643 5.109 -5.694 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -11.579 7.204 -5.023 1.00 2.50 C ATOM 1299 CZ TYR A 98 -11.156 6.347 -6.015 1.00 2.73 C ATOM 1300 OH TYR A 98 -11.236 6.738 -7.332 1.00 3.64 O ATOM 0 H TYR A 98 -11.325 5.195 0.506 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.002 5.049 -1.753 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -10.597 6.045 -1.309 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -10.046 4.454 -1.795 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -10.159 3.754 -4.121 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -11.814 7.492 -2.925 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -10.310 4.441 -6.474 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -11.982 8.173 -5.278 1.00 2.50 H new ATOM 0 HH TYR A 98 -12.139 7.069 -7.521 1.00 3.64 H new ATOM 1310 N ALA A 99 -11.359 2.282 -1.025 1.00 0.56 N ATOM 1311 CA ALA A 99 -11.410 0.831 -1.126 1.00 0.56 C ATOM 1312 C ALA A 99 -11.904 0.265 0.186 1.00 0.52 C ATOM 1313 O ALA A 99 -11.296 0.514 1.225 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.037 0.265 -1.450 1.00 0.59 C ATOM 0 H ALA A 99 -10.611 2.632 -0.426 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.090 0.553 -1.931 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.099 -0.821 -1.521 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -9.691 0.672 -2.400 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.336 0.538 -0.662 1.00 0.59 H new ATOM 1320 N ASP A 100 -12.998 -0.485 0.159 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.557 -0.981 1.405 1.00 0.53 C ATOM 1322 C ASP A 100 -12.681 -2.101 1.937 1.00 0.47 C ATOM 1323 O ASP A 100 -12.753 -3.248 1.490 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.994 -1.468 1.201 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.670 -1.837 2.508 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -15.800 -0.957 3.389 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -16.098 -3.000 2.656 1.00 1.73 O ATOM 0 H ASP A 100 -13.502 -0.756 -0.686 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.583 -0.170 2.132 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -15.572 -0.689 0.703 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -14.991 -2.334 0.539 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.870 -1.733 2.911 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.888 -2.613 3.511 1.00 0.39 C ATOM 1334 C ALA A 101 -10.240 -1.887 4.670 1.00 0.37 C ATOM 1335 O ALA A 101 -10.712 -0.827 5.088 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.843 -3.022 2.480 1.00 0.43 C ATOM 0 H ALA A 101 -11.876 -0.796 3.314 1.00 0.42 H new ATOM 0 HA ALA A 101 -11.372 -3.521 3.871 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -9.112 -3.683 2.945 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -10.330 -3.543 1.655 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.339 -2.133 2.101 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.160 -2.438 5.182 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.400 -1.766 6.210 1.00 0.31 C ATOM 1344 C GLU A 102 -7.021 -1.411 5.678 1.00 0.29 C ATOM 1345 O GLU A 102 -6.086 -2.213 5.773 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.258 -2.653 7.439 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.513 -3.425 7.799 1.00 0.76 C ATOM 1348 CD GLU A 102 -9.294 -4.344 8.977 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -9.911 -4.116 10.039 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -8.496 -5.291 8.853 1.00 1.77 O ATOM 0 H GLU A 102 -8.791 -3.347 4.903 1.00 0.31 H new ATOM 0 HA GLU A 102 -8.930 -0.857 6.494 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.446 -3.360 7.270 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -7.970 -2.034 8.288 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -10.316 -2.725 8.030 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -9.838 -4.010 6.939 1.00 0.76 H new ATOM 1357 N VAL A 103 -6.891 -0.231 5.092 1.00 0.27 N ATOM 1358 CA VAL A 103 -5.608 0.194 4.567 1.00 0.32 C ATOM 1359 C VAL A 103 -4.799 0.893 5.651 1.00 0.32 C ATOM 1360 O VAL A 103 -5.309 1.743 6.384 1.00 0.38 O ATOM 1361 CB VAL A 103 -5.737 1.107 3.319 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.279 2.481 3.674 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.396 1.245 2.623 1.00 1.05 C ATOM 0 H VAL A 103 -7.649 0.440 4.970 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.086 -0.707 4.245 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.449 0.632 2.644 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.353 3.087 2.771 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.267 2.378 4.124 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.607 2.965 4.382 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -4.504 1.888 1.750 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -3.673 1.684 3.310 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.047 0.262 2.308 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.554 0.493 5.776 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.645 1.110 6.711 1.00 0.37 C ATOM 1375 C ARG A 104 -1.685 2.000 5.942 1.00 0.33 C ATOM 1376 O ARG A 104 -0.725 1.520 5.339 1.00 0.38 O ATOM 1377 CB ARG A 104 -1.892 0.030 7.490 1.00 0.46 C ATOM 1378 CG ARG A 104 -1.123 0.549 8.693 1.00 1.23 C ATOM 1379 CD ARG A 104 -0.636 -0.600 9.561 1.00 1.26 C ATOM 1380 NE ARG A 104 -1.746 -1.431 10.035 1.00 1.50 N ATOM 1381 CZ ARG A 104 -1.615 -2.687 10.462 1.00 1.82 C ATOM 1382 NH1 ARG A 104 -0.419 -3.261 10.505 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -2.685 -3.369 10.854 1.00 2.71 N ATOM 0 H ARG A 104 -3.145 -0.268 5.233 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.195 1.719 7.429 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -2.605 -0.723 7.826 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.196 -0.469 6.816 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -0.273 1.143 8.358 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -1.761 1.209 9.281 1.00 1.23 H new ATOM 0 HD2 ARG A 104 0.062 -1.215 8.992 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -0.088 -0.203 10.416 1.00 1.26 H new ATOM 0 HE ARG A 104 -2.680 -1.022 10.038 1.00 1.50 H new ATOM 0 HH11 ARG A 104 0.407 -2.741 10.210 1.00 1.78 H new ATOM 0 HH12 ARG A 104 -0.326 -4.222 10.833 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -3.606 -2.932 10.828 1.00 2.71 H new ATOM 0 HH22 ARG A 104 -2.586 -4.330 11.181 1.00 2.71 H new ATOM 1397 N VAL A 105 -1.965 3.293 5.931 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.164 4.221 5.157 1.00 0.31 C ATOM 1399 C VAL A 105 0.148 4.515 5.885 1.00 0.31 C ATOM 1400 O VAL A 105 0.161 4.814 7.084 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.918 5.537 4.845 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.217 5.244 4.112 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.183 6.346 6.103 1.00 0.71 C ATOM 0 H VAL A 105 -2.735 3.719 6.446 1.00 0.31 H new ATOM 0 HA VAL A 105 -0.949 3.745 4.200 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.278 6.139 4.199 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.734 6.180 3.900 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -2.999 4.730 3.176 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.851 4.611 4.734 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.714 7.262 5.842 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.790 5.759 6.792 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.236 6.599 6.579 1.00 0.71 H new ATOM 1413 N ARG A 106 1.252 4.397 5.170 1.00 0.31 N ATOM 1414 CA ARG A 106 2.564 4.601 5.760 1.00 0.35 C ATOM 1415 C ARG A 106 3.365 5.612 4.958 1.00 0.29 C ATOM 1416 O ARG A 106 3.522 5.473 3.745 1.00 0.31 O ATOM 1417 CB ARG A 106 3.325 3.274 5.840 1.00 0.46 C ATOM 1418 CG ARG A 106 2.815 2.328 6.917 1.00 0.79 C ATOM 1419 CD ARG A 106 2.944 2.946 8.299 1.00 0.87 C ATOM 1420 NE ARG A 106 2.617 2.001 9.365 1.00 1.30 N ATOM 1421 CZ ARG A 106 2.384 2.366 10.626 1.00 1.70 C ATOM 1422 NH1 ARG A 106 2.416 3.651 10.961 1.00 1.88 N ATOM 1423 NH2 ARG A 106 2.124 1.450 11.549 1.00 2.63 N ATOM 0 H ARG A 106 1.267 4.161 4.178 1.00 0.31 H new ATOM 0 HA ARG A 106 2.425 4.991 6.768 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.263 2.774 4.874 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.379 3.483 6.024 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.771 2.081 6.723 1.00 0.79 H new ATOM 0 HG3 ARG A 106 3.376 1.394 6.880 1.00 0.79 H new ATOM 0 HD2 ARG A 106 3.963 3.308 8.438 1.00 0.87 H new ATOM 0 HD3 ARG A 106 2.285 3.812 8.370 1.00 0.87 H new ATOM 0 HE ARG A 106 2.564 1.009 9.132 1.00 1.30 H new ATOM 0 HH11 ARG A 106 2.619 4.358 10.254 1.00 1.88 H new ATOM 0 HH12 ARG A 106 2.238 3.931 11.925 1.00 1.88 H new ATOM 0 HH21 ARG A 106 2.102 0.462 11.295 1.00 2.63 H new ATOM 0 HH22 ARG A 106 1.946 1.733 12.513 1.00 2.63 H new ATOM 1437 N THR A 107 3.863 6.630 5.639 1.00 0.34 N ATOM 1438 CA THR A 107 4.677 7.641 4.996 1.00 0.36 C ATOM 1439 C THR A 107 6.139 7.197 4.976 1.00 0.40 C ATOM 1440 O THR A 107 6.702 6.812 6.005 1.00 0.56 O ATOM 1441 CB THR A 107 4.528 9.018 5.695 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.313 10.013 5.021 1.00 0.56 O ATOM 1443 CG2 THR A 107 4.938 8.950 7.160 1.00 0.64 C ATOM 0 H THR A 107 3.716 6.776 6.638 1.00 0.34 H new ATOM 0 HA THR A 107 4.329 7.759 3.970 1.00 0.36 H new ATOM 0 HB THR A 107 3.475 9.294 5.647 1.00 0.50 H new ATOM 0 HG1 THR A 107 4.718 10.657 4.582 1.00 0.56 H new ATOM 0 HG21 THR A 107 4.820 9.933 7.617 1.00 0.64 H new ATOM 0 HG22 THR A 107 4.307 8.230 7.681 1.00 0.64 H new ATOM 0 HG23 THR A 107 5.980 8.639 7.232 1.00 0.64 H new ATOM 1451 N VAL A 108 6.739 7.213 3.797 1.00 0.44 N ATOM 1452 CA VAL A 108 8.123 6.793 3.636 1.00 0.60 C ATOM 1453 C VAL A 108 8.924 7.861 2.910 1.00 0.68 C ATOM 1454 O VAL A 108 8.358 8.699 2.213 1.00 0.86 O ATOM 1455 CB VAL A 108 8.235 5.460 2.858 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.609 4.322 3.646 1.00 1.34 C ATOM 1457 CG2 VAL A 108 7.587 5.576 1.484 1.00 0.97 C ATOM 0 H VAL A 108 6.288 7.514 2.933 1.00 0.44 H new ATOM 0 HA VAL A 108 8.528 6.643 4.637 1.00 0.60 H new ATOM 0 HB VAL A 108 9.294 5.241 2.719 1.00 0.71 H new ATOM 0 HG11 VAL A 108 7.699 3.395 3.080 1.00 1.34 H new ATOM 0 HG12 VAL A 108 8.123 4.215 4.601 1.00 1.34 H new ATOM 0 HG13 VAL A 108 6.555 4.538 3.823 1.00 1.34 H new ATOM 0 HG21 VAL A 108 7.679 4.626 0.957 1.00 0.97 H new ATOM 0 HG22 VAL A 108 6.532 5.827 1.599 1.00 0.97 H new ATOM 0 HG23 VAL A 108 8.085 6.358 0.912 1.00 0.97 H new ATOM 1467 N THR A 109 10.232 7.845 3.104 1.00 0.68 N ATOM 1468 CA THR A 109 11.123 8.760 2.412 1.00 0.78 C ATOM 1469 C THR A 109 12.342 8.021 1.862 1.00 0.71 C ATOM 1470 O THR A 109 13.021 8.505 0.955 1.00 0.88 O ATOM 1471 CB THR A 109 11.586 9.901 3.342 1.00 0.96 C ATOM 1472 OG1 THR A 109 12.036 9.366 4.594 1.00 1.22 O ATOM 1473 CG2 THR A 109 10.463 10.898 3.589 1.00 1.11 C ATOM 0 H THR A 109 10.703 7.202 3.741 1.00 0.68 H new ATOM 0 HA THR A 109 10.564 9.192 1.582 1.00 0.78 H new ATOM 0 HB THR A 109 12.409 10.421 2.850 1.00 0.96 H new ATOM 0 HG1 THR A 109 12.163 8.398 4.509 1.00 1.22 H new ATOM 0 HG21 THR A 109 10.818 11.691 4.248 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.145 11.330 2.640 1.00 1.11 H new ATOM 0 HG23 THR A 109 9.620 10.388 4.056 1.00 1.11 H new ATOM 1481 N SER A 110 12.628 6.849 2.418 1.00 0.59 N ATOM 1482 CA SER A 110 13.758 6.049 1.975 1.00 0.54 C ATOM 1483 C SER A 110 13.438 4.550 2.023 1.00 0.49 C ATOM 1484 O SER A 110 12.653 4.118 2.869 1.00 0.51 O ATOM 1485 CB SER A 110 14.985 6.367 2.832 1.00 0.62 C ATOM 1486 OG SER A 110 15.342 7.735 2.709 1.00 0.93 O ATOM 0 H SER A 110 12.090 6.433 3.178 1.00 0.59 H new ATOM 0 HA SER A 110 13.971 6.303 0.937 1.00 0.54 H new ATOM 0 HB2 SER A 110 14.776 6.133 3.876 1.00 0.62 H new ATOM 0 HB3 SER A 110 15.821 5.739 2.526 1.00 0.62 H new ATOM 0 HG SER A 110 16.127 7.919 3.265 1.00 0.93 H new ATOM 1492 N PRO A 111 14.017 3.750 1.106 1.00 0.49 N ATOM 1493 CA PRO A 111 13.687 2.321 0.946 1.00 0.49 C ATOM 1494 C PRO A 111 13.629 1.540 2.256 1.00 0.45 C ATOM 1495 O PRO A 111 12.700 0.756 2.478 1.00 0.50 O ATOM 1496 CB PRO A 111 14.822 1.792 0.075 1.00 0.58 C ATOM 1497 CG PRO A 111 15.286 2.967 -0.715 1.00 0.60 C ATOM 1498 CD PRO A 111 15.047 4.184 0.139 1.00 0.54 C ATOM 0 HA PRO A 111 12.690 2.203 0.522 1.00 0.49 H new ATOM 0 HB2 PRO A 111 15.628 1.383 0.684 1.00 0.58 H new ATOM 0 HB3 PRO A 111 14.477 0.990 -0.577 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.342 2.872 -0.966 1.00 0.60 H new ATOM 0 HG3 PRO A 111 14.740 3.041 -1.656 1.00 0.60 H new ATOM 0 HD2 PRO A 111 15.959 4.502 0.644 1.00 0.54 H new ATOM 0 HD3 PRO A 111 14.703 5.028 -0.458 1.00 0.54 H new ATOM 1506 N ASP A 112 14.612 1.764 3.123 1.00 0.47 N ATOM 1507 CA ASP A 112 14.733 1.003 4.364 1.00 0.49 C ATOM 1508 C ASP A 112 13.503 1.139 5.251 1.00 0.43 C ATOM 1509 O ASP A 112 13.142 0.201 5.955 1.00 0.45 O ATOM 1510 CB ASP A 112 15.997 1.400 5.124 1.00 0.60 C ATOM 1511 CG ASP A 112 17.196 0.568 4.705 1.00 1.16 C ATOM 1512 OD1 ASP A 112 17.504 0.513 3.493 1.00 1.71 O ATOM 1513 OD2 ASP A 112 17.830 -0.047 5.584 1.00 2.04 O ATOM 0 H ASP A 112 15.338 2.468 2.989 1.00 0.47 H new ATOM 0 HA ASP A 112 14.809 -0.048 4.085 1.00 0.49 H new ATOM 0 HB2 ASP A 112 16.209 2.455 4.950 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.829 1.281 6.194 1.00 0.60 H new ATOM 1518 N GLU A 113 12.847 2.290 5.196 1.00 0.43 N ATOM 1519 CA GLU A 113 11.618 2.496 5.952 1.00 0.45 C ATOM 1520 C GLU A 113 10.512 1.607 5.398 1.00 0.37 C ATOM 1521 O GLU A 113 9.806 0.932 6.146 1.00 0.40 O ATOM 1522 CB GLU A 113 11.184 3.959 5.883 1.00 0.57 C ATOM 1523 CG GLU A 113 12.242 4.936 6.359 1.00 0.78 C ATOM 1524 CD GLU A 113 11.816 6.370 6.155 1.00 1.46 C ATOM 1525 OE1 GLU A 113 11.673 6.784 4.990 1.00 2.21 O ATOM 1526 OE2 GLU A 113 11.625 7.090 7.157 1.00 2.13 O ATOM 0 H GLU A 113 13.143 3.092 4.639 1.00 0.43 H new ATOM 0 HA GLU A 113 11.805 2.235 6.993 1.00 0.45 H new ATOM 0 HB2 GLU A 113 10.917 4.201 4.854 1.00 0.57 H new ATOM 0 HB3 GLU A 113 10.285 4.090 6.485 1.00 0.57 H new ATOM 0 HG2 GLU A 113 12.445 4.764 7.416 1.00 0.78 H new ATOM 0 HG3 GLU A 113 13.173 4.754 5.822 1.00 0.78 H new ATOM 1533 N ALA A 114 10.396 1.599 4.075 1.00 0.37 N ATOM 1534 CA ALA A 114 9.369 0.827 3.382 1.00 0.39 C ATOM 1535 C ALA A 114 9.480 -0.659 3.706 1.00 0.36 C ATOM 1536 O ALA A 114 8.476 -1.322 3.972 1.00 0.38 O ATOM 1537 CB ALA A 114 9.483 1.047 1.882 1.00 0.48 C ATOM 0 H ALA A 114 11.009 2.126 3.453 1.00 0.37 H new ATOM 0 HA ALA A 114 8.394 1.172 3.725 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.714 0.468 1.370 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.350 2.105 1.658 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.467 0.725 1.541 1.00 0.48 H new ATOM 1543 N LYS A 115 10.709 -1.169 3.696 1.00 0.38 N ATOM 1544 CA LYS A 115 10.963 -2.578 3.988 1.00 0.45 C ATOM 1545 C LYS A 115 10.468 -2.950 5.383 1.00 0.39 C ATOM 1546 O LYS A 115 9.974 -4.056 5.602 1.00 0.44 O ATOM 1547 CB LYS A 115 12.460 -2.888 3.856 1.00 0.57 C ATOM 1548 CG LYS A 115 12.965 -2.868 2.419 1.00 0.75 C ATOM 1549 CD LYS A 115 14.466 -3.131 2.336 1.00 0.77 C ATOM 1550 CE LYS A 115 15.272 -1.973 2.900 1.00 1.22 C ATOM 1551 NZ LYS A 115 16.736 -2.152 2.710 1.00 1.53 N ATOM 0 H LYS A 115 11.547 -0.626 3.488 1.00 0.38 H new ATOM 0 HA LYS A 115 10.412 -3.177 3.263 1.00 0.45 H new ATOM 0 HB2 LYS A 115 13.025 -2.162 4.441 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.658 -3.869 4.288 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.433 -3.620 1.837 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.741 -1.900 1.970 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.706 -4.042 2.883 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.749 -3.299 1.297 1.00 0.77 H new ATOM 0 HE2 LYS A 115 14.957 -1.047 2.419 1.00 1.22 H new ATOM 0 HE3 LYS A 115 15.057 -1.869 3.963 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 17.215 -1.236 2.823 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 17.099 -2.822 3.418 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 16.919 -2.524 1.756 1.00 1.53 H new ATOM 1565 N ARG A 116 10.584 -2.011 6.316 1.00 0.36 N ATOM 1566 CA ARG A 116 10.158 -2.235 7.693 1.00 0.39 C ATOM 1567 C ARG A 116 8.644 -2.383 7.775 1.00 0.35 C ATOM 1568 O ARG A 116 8.135 -3.309 8.408 1.00 0.42 O ATOM 1569 CB ARG A 116 10.613 -1.082 8.585 1.00 0.50 C ATOM 1570 CG ARG A 116 12.116 -0.892 8.613 1.00 1.14 C ATOM 1571 CD ARG A 116 12.507 0.334 9.419 1.00 1.65 C ATOM 1572 NE ARG A 116 13.937 0.605 9.337 1.00 2.40 N ATOM 1573 CZ ARG A 116 14.491 1.778 9.633 1.00 3.29 C ATOM 1574 NH1 ARG A 116 13.736 2.781 10.064 1.00 3.61 N ATOM 1575 NH2 ARG A 116 15.800 1.945 9.504 1.00 4.21 N ATOM 0 H ARG A 116 10.971 -1.083 6.142 1.00 0.36 H new ATOM 0 HA ARG A 116 10.618 -3.160 8.042 1.00 0.39 H new ATOM 0 HB2 ARG A 116 10.145 -0.160 8.239 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.259 -1.258 9.601 1.00 0.50 H new ATOM 0 HG2 ARG A 116 12.588 -1.776 9.042 1.00 1.14 H new ATOM 0 HG3 ARG A 116 12.490 -0.793 7.594 1.00 1.14 H new ATOM 0 HD2 ARG A 116 11.952 1.199 9.056 1.00 1.65 H new ATOM 0 HD3 ARG A 116 12.224 0.188 10.462 1.00 1.65 H new ATOM 0 HE ARG A 116 14.551 -0.151 9.034 1.00 2.40 H new ATOM 0 HH11 ARG A 116 12.729 2.653 10.169 1.00 3.61 H new ATOM 0 HH12 ARG A 116 14.162 3.680 10.290 1.00 3.61 H new ATOM 0 HH21 ARG A 116 16.383 1.174 9.178 1.00 4.21 H new ATOM 0 HH22 ARG A 116 16.224 2.844 9.731 1.00 4.21 H new ATOM 1589 N TRP A 117 7.932 -1.475 7.118 1.00 0.31 N ATOM 1590 CA TRP A 117 6.474 -1.476 7.150 1.00 0.32 C ATOM 1591 C TRP A 117 5.919 -2.743 6.511 1.00 0.30 C ATOM 1592 O TRP A 117 4.986 -3.351 7.036 1.00 0.36 O ATOM 1593 CB TRP A 117 5.911 -0.245 6.432 1.00 0.36 C ATOM 1594 CG TRP A 117 6.408 1.058 6.983 1.00 0.40 C ATOM 1595 CD1 TRP A 117 6.968 2.080 6.276 1.00 0.47 C ATOM 1596 CD2 TRP A 117 6.394 1.481 8.354 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.301 3.112 7.117 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.961 2.768 8.398 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.957 0.898 9.548 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 7.099 3.480 9.586 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 6.098 1.606 10.726 1.00 0.98 C ATOM 1602 CH2 TRP A 117 6.664 2.885 10.737 1.00 0.99 C ATOM 0 H TRP A 117 8.341 -0.728 6.556 1.00 0.31 H new ATOM 0 HA TRP A 117 6.166 -1.444 8.195 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.169 -0.303 5.375 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.823 -0.265 6.496 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.127 2.078 5.208 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.732 3.992 6.834 1.00 0.53 H new ATOM 0 HE3 TRP A 117 5.517 -0.088 9.549 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 7.535 4.468 9.598 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 5.766 1.164 11.654 1.00 0.98 H new ATOM 0 HH2 TRP A 117 6.759 3.413 11.674 1.00 0.99 H new ATOM 1613 N ILE A 118 6.501 -3.136 5.384 1.00 0.29 N ATOM 1614 CA ILE A 118 6.093 -4.353 4.693 1.00 0.32 C ATOM 1615 C ILE A 118 6.333 -5.574 5.576 1.00 0.36 C ATOM 1616 O ILE A 118 5.486 -6.466 5.672 1.00 0.40 O ATOM 1617 CB ILE A 118 6.858 -4.522 3.361 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.546 -3.356 2.421 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.507 -5.851 2.701 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.353 -3.372 1.141 1.00 0.57 C ATOM 0 H ILE A 118 7.259 -2.628 4.928 1.00 0.29 H new ATOM 0 HA ILE A 118 5.028 -4.268 4.475 1.00 0.32 H new ATOM 0 HB ILE A 118 7.927 -4.522 3.574 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.485 -3.376 2.171 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.732 -2.419 2.945 1.00 0.44 H new ATOM 0 HG21 ILE A 118 7.057 -5.949 1.765 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.776 -6.670 3.367 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.437 -5.885 2.498 1.00 0.51 H new ATOM 0 HD11 ILE A 118 7.077 -2.515 0.526 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.415 -3.320 1.380 1.00 0.57 H new ATOM 0 HD13 ILE A 118 7.149 -4.292 0.594 1.00 0.57 H new ATOM 1632 N LYS A 119 7.485 -5.591 6.235 1.00 0.41 N ATOM 1633 CA LYS A 119 7.853 -6.685 7.121 1.00 0.53 C ATOM 1634 C LYS A 119 6.838 -6.836 8.251 1.00 0.55 C ATOM 1635 O LYS A 119 6.372 -7.940 8.533 1.00 0.67 O ATOM 1636 CB LYS A 119 9.256 -6.451 7.689 1.00 0.63 C ATOM 1637 CG LYS A 119 9.706 -7.504 8.690 1.00 1.09 C ATOM 1638 CD LYS A 119 11.165 -7.318 9.082 1.00 1.34 C ATOM 1639 CE LYS A 119 11.424 -5.947 9.690 1.00 2.05 C ATOM 1640 NZ LYS A 119 12.850 -5.772 10.069 1.00 2.66 N ATOM 0 H LYS A 119 8.185 -4.852 6.170 1.00 0.41 H new ATOM 0 HA LYS A 119 7.855 -7.610 6.544 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.969 -6.421 6.865 1.00 0.63 H new ATOM 0 HB3 LYS A 119 9.283 -5.473 8.170 1.00 0.63 H new ATOM 0 HG2 LYS A 119 9.080 -7.451 9.581 1.00 1.09 H new ATOM 0 HG3 LYS A 119 9.568 -8.497 8.262 1.00 1.09 H new ATOM 0 HD2 LYS A 119 11.449 -8.091 9.796 1.00 1.34 H new ATOM 0 HD3 LYS A 119 11.796 -7.449 8.203 1.00 1.34 H new ATOM 0 HE2 LYS A 119 11.140 -5.173 8.977 1.00 2.05 H new ATOM 0 HE3 LYS A 119 10.795 -5.815 10.570 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 12.987 -4.826 10.479 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 13.114 -6.494 10.769 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 13.449 -5.873 9.224 1.00 2.66 H new ATOM 1654 N GLU A 120 6.482 -5.725 8.883 1.00 0.51 N ATOM 1655 CA GLU A 120 5.536 -5.754 9.991 1.00 0.63 C ATOM 1656 C GLU A 120 4.125 -6.076 9.508 1.00 0.60 C ATOM 1657 O GLU A 120 3.364 -6.755 10.197 1.00 0.79 O ATOM 1658 CB GLU A 120 5.525 -4.421 10.735 1.00 0.71 C ATOM 1659 CG GLU A 120 6.854 -4.057 11.372 1.00 1.43 C ATOM 1660 CD GLU A 120 6.722 -2.913 12.352 1.00 1.83 C ATOM 1661 OE1 GLU A 120 6.774 -1.741 11.924 1.00 2.48 O ATOM 1662 OE2 GLU A 120 6.549 -3.179 13.559 1.00 2.33 O ATOM 0 H GLU A 120 6.832 -4.796 8.649 1.00 0.51 H new ATOM 0 HA GLU A 120 5.862 -6.541 10.671 1.00 0.63 H new ATOM 0 HB2 GLU A 120 5.239 -3.631 10.040 1.00 0.71 H new ATOM 0 HB3 GLU A 120 4.760 -4.456 11.510 1.00 0.71 H new ATOM 0 HG2 GLU A 120 7.260 -4.929 11.886 1.00 1.43 H new ATOM 0 HG3 GLU A 120 7.566 -3.786 10.593 1.00 1.43 H new ATOM 1669 N PHE A 121 3.778 -5.591 8.325 1.00 0.44 N ATOM 1670 CA PHE A 121 2.432 -5.763 7.789 1.00 0.43 C ATOM 1671 C PHE A 121 2.155 -7.224 7.442 1.00 0.46 C ATOM 1672 O PHE A 121 1.009 -7.669 7.452 1.00 0.54 O ATOM 1673 CB PHE A 121 2.242 -4.881 6.557 1.00 0.38 C ATOM 1674 CG PHE A 121 0.824 -4.822 6.063 1.00 0.43 C ATOM 1675 CD1 PHE A 121 0.451 -5.472 4.896 1.00 1.37 C ATOM 1676 CD2 PHE A 121 -0.135 -4.115 6.769 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -0.853 -5.415 4.445 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -1.440 -4.055 6.322 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.798 -4.707 5.159 1.00 0.67 C ATOM 0 H PHE A 121 4.411 -5.073 7.715 1.00 0.44 H new ATOM 0 HA PHE A 121 1.721 -5.462 8.558 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.577 -3.870 6.791 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.881 -5.251 5.755 1.00 0.38 H new ATOM 0 HD1 PHE A 121 1.187 -6.028 4.335 1.00 1.37 H new ATOM 0 HD2 PHE A 121 0.141 -3.605 7.680 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -1.133 -5.924 3.534 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -2.179 -3.499 6.881 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.818 -4.663 4.808 1.00 0.67 H new ATOM 1689 N SER A 122 3.207 -7.973 7.149 1.00 0.44 N ATOM 1690 CA SER A 122 3.064 -9.386 6.837 1.00 0.50 C ATOM 1691 C SER A 122 2.871 -10.200 8.118 1.00 0.58 C ATOM 1692 O SER A 122 2.666 -11.414 8.070 1.00 0.80 O ATOM 1693 CB SER A 122 4.286 -9.887 6.060 1.00 0.57 C ATOM 1694 OG SER A 122 4.121 -11.238 5.654 1.00 1.31 O ATOM 0 H SER A 122 4.166 -7.627 7.121 1.00 0.44 H new ATOM 0 HA SER A 122 2.181 -9.515 6.212 1.00 0.50 H new ATOM 0 HB2 SER A 122 4.445 -9.259 5.184 1.00 0.57 H new ATOM 0 HB3 SER A 122 5.177 -9.798 6.682 1.00 0.57 H new ATOM 0 HG SER A 122 3.526 -11.698 6.282 1.00 1.31 H new ATOM 1700 N GLU A 123 2.927 -9.523 9.260 1.00 0.63 N ATOM 1701 CA GLU A 123 2.764 -10.180 10.548 1.00 0.81 C ATOM 1702 C GLU A 123 1.378 -9.909 11.129 1.00 0.92 C ATOM 1703 O GLU A 123 1.181 -9.983 12.342 1.00 1.44 O ATOM 1704 CB GLU A 123 3.842 -9.709 11.531 1.00 1.25 C ATOM 1705 CG GLU A 123 5.261 -9.991 11.068 1.00 1.57 C ATOM 1706 CD GLU A 123 5.519 -11.465 10.841 1.00 1.91 C ATOM 1707 OE1 GLU A 123 5.764 -12.190 11.829 1.00 2.53 O ATOM 1708 OE2 GLU A 123 5.486 -11.907 9.674 1.00 2.37 O ATOM 0 H GLU A 123 3.085 -8.517 9.318 1.00 0.63 H new ATOM 0 HA GLU A 123 2.870 -11.253 10.392 1.00 0.81 H new ATOM 0 HB2 GLU A 123 3.729 -8.637 11.693 1.00 1.25 H new ATOM 0 HB3 GLU A 123 3.680 -10.195 12.493 1.00 1.25 H new ATOM 0 HG2 GLU A 123 5.452 -9.446 10.143 1.00 1.57 H new ATOM 0 HG3 GLU A 123 5.963 -9.614 11.811 1.00 1.57 H new