USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 931 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 89 HIS : no HD1:sc= 0.825 K(o=2.1,f=-5.8!) USER MOD Set 1.2: A 119 THR OG1 : rot 82:sc= 1.31 USER MOD Set 2.1: A 80 SER OG : rot 158:sc= 1.39 USER MOD Set 2.2: A 82 GLN : amide:sc= 2.04 K(o=3.4,f=-5!) USER MOD Set 3.1: A 66 LYS NZ :NH3+ -177:sc= 1.87 (180deg=0.779) USER MOD Set 3.2: A 67 GLN : amide:sc= 0.924 K(o=2.8,f=-3.9!) USER MOD Set 4.1: A 57 TYR OH : rot 5:sc= 0.0482 USER MOD Set 4.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 28 HIS : no HD1:sc= 1.05 K(o=2.3,f=-5.2!) USER MOD Set 5.2: A 40 SER OG : rot -90:sc= 1.29 USER MOD Set 6.1: A 22 TYR OH : rot -127:sc= 0.611 USER MOD Set 6.2: A 102 HIS : no HE2:sc= -1.01 K(o=1.1,f=0.49) USER MOD Set 6.3: A 105 SER OG : rot -124:sc= 1.49 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -3:sc= 0.512 USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= 1.17 (180deg=0.855) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 1.9 (180deg=1.9) USER MOD Single : A 47 TYR OH : rot 130:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 1.35 (180deg=1.23) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -1.18! C(o=-1.2!,f=-3.2!) USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 0.0489 (180deg=0) USER MOD Single : A 64 MET CE :methyl -153:sc= -0.0274 (180deg=-0.248) USER MOD Single : A 65 GLN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 69 CYS SG : rot -82:sc= -0.0877 USER MOD Single : A 71 CYS SG : rot 90:sc= -1.3 USER MOD Single : A 73 CYS SG : rot 142:sc= 1.8 USER MOD Single : A 81 HIS : no HE2:sc= -0.0335 K(o=-0.033,f=-0.97) USER MOD Single : A 83 SER OG : rot 163:sc= 1.33 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.12) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= 1.26 (180deg=1.19) USER MOD Single : A 91 TYR OH : rot 180:sc=-0.00722 USER MOD Single : A 93 TYR OH : rot 2:sc= 0.0157 USER MOD Single : A 94 SER OG : rot -50:sc= 1.47 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0741 X(o=-0.074,f=-0.074) USER MOD Single : A 106 THR OG1 : rot 37:sc= 0.947 USER MOD Single : A 108 LYS NZ :NH3+ -176:sc= 2.38 (180deg=2.3) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 148:sc= 1.23 (180deg=0.754) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.93) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.244 11.291 11.954 1.00 0.00 N ATOM 2 CA MET A 1 15.704 12.650 11.710 1.00 0.00 C ATOM 3 C MET A 1 14.208 12.698 12.052 1.00 0.00 C ATOM 4 O MET A 1 13.856 13.099 13.165 1.00 0.00 O ATOM 5 CB MET A 1 16.038 13.159 10.287 1.00 0.00 C ATOM 6 CG MET A 1 15.620 14.622 10.071 1.00 0.00 C ATOM 7 SD MET A 1 16.039 15.277 8.431 1.00 0.00 S ATOM 8 CE MET A 1 15.379 16.958 8.599 1.00 0.00 C ATOM 0 H1 MET A 1 17.257 11.272 11.719 1.00 0.00 H new ATOM 0 H2 MET A 1 16.117 11.042 12.956 1.00 0.00 H new ATOM 0 H3 MET A 1 15.738 10.604 11.359 1.00 0.00 H new ATOM 0 HA MET A 1 16.201 13.351 12.380 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.109 13.061 10.112 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.536 12.529 9.552 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.544 14.707 10.220 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.097 15.241 10.831 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.550 17.510 7.675 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.309 16.910 8.800 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.881 17.465 9.423 1.00 0.00 H new ATOM 20 N ALA A 2 13.318 12.307 11.128 1.00 0.00 N ATOM 21 CA ALA A 2 11.868 12.306 11.300 1.00 0.00 C ATOM 22 C ALA A 2 11.261 11.256 10.363 1.00 0.00 C ATOM 23 O ALA A 2 11.944 10.750 9.467 1.00 0.00 O ATOM 24 CB ALA A 2 11.312 13.698 10.965 1.00 0.00 C ATOM 0 H ALA A 2 13.605 11.971 10.208 1.00 0.00 H new ATOM 0 HA ALA A 2 11.612 12.064 12.332 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.230 13.698 11.093 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.756 14.437 11.631 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.555 13.948 9.932 1.00 0.00 H new ATOM 30 N VAL A 3 9.976 10.946 10.545 1.00 0.00 N ATOM 31 CA VAL A 3 9.216 10.116 9.617 1.00 0.00 C ATOM 32 C VAL A 3 9.039 10.934 8.328 1.00 0.00 C ATOM 33 O VAL A 3 8.290 11.915 8.311 1.00 0.00 O ATOM 34 CB VAL A 3 7.871 9.680 10.250 1.00 0.00 C ATOM 35 CG1 VAL A 3 7.151 8.650 9.368 1.00 0.00 C ATOM 36 CG2 VAL A 3 8.061 9.058 11.647 1.00 0.00 C ATOM 0 H VAL A 3 9.433 11.267 11.346 1.00 0.00 H new ATOM 0 HA VAL A 3 9.739 9.189 9.384 1.00 0.00 H new ATOM 0 HB VAL A 3 7.273 10.587 10.338 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.210 8.363 9.838 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.950 9.086 8.390 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.781 7.769 9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.091 8.768 12.051 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.700 8.178 11.570 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.527 9.787 12.310 1.00 0.00 H new ATOM 46 N ALA A 4 9.768 10.569 7.268 1.00 0.00 N ATOM 47 CA ALA A 4 9.580 11.139 5.936 1.00 0.00 C ATOM 48 C ALA A 4 8.226 10.699 5.351 1.00 0.00 C ATOM 49 O ALA A 4 7.487 9.918 5.954 1.00 0.00 O ATOM 50 CB ALA A 4 10.755 10.741 5.027 1.00 0.00 C ATOM 0 H ALA A 4 10.507 9.867 7.313 1.00 0.00 H new ATOM 0 HA ALA A 4 9.565 12.227 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.609 11.169 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.686 11.117 5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.804 9.655 4.950 1.00 0.00 H new ATOM 56 N ASP A 5 7.916 11.164 4.143 1.00 0.00 N ATOM 57 CA ASP A 5 6.707 10.816 3.400 1.00 0.00 C ATOM 58 C ASP A 5 7.059 10.838 1.916 1.00 0.00 C ATOM 59 O ASP A 5 8.010 11.519 1.526 1.00 0.00 O ATOM 60 CB ASP A 5 5.596 11.830 3.706 1.00 0.00 C ATOM 61 CG ASP A 5 4.330 11.522 2.896 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.549 10.637 3.310 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.138 12.141 1.828 1.00 0.00 O ATOM 0 H ASP A 5 8.518 11.814 3.638 1.00 0.00 H new ATOM 0 HA ASP A 5 6.345 9.828 3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.364 11.810 4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.944 12.837 3.474 1.00 0.00 H new ATOM 68 N LEU A 6 6.316 10.118 1.073 1.00 0.00 N ATOM 69 CA LEU A 6 6.587 10.038 -0.356 1.00 0.00 C ATOM 70 C LEU A 6 6.566 11.410 -1.044 1.00 0.00 C ATOM 71 O LEU A 6 7.275 11.591 -2.035 1.00 0.00 O ATOM 72 CB LEU A 6 5.580 9.090 -1.027 1.00 0.00 C ATOM 73 CG LEU A 6 5.629 7.614 -0.584 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.815 6.782 -1.576 1.00 0.00 C ATOM 75 CD2 LEU A 6 7.043 7.028 -0.488 1.00 0.00 C ATOM 0 H LEU A 6 5.506 9.573 1.368 1.00 0.00 H new ATOM 0 HA LEU A 6 7.597 9.645 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.576 9.470 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.740 9.129 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 6 5.216 7.578 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.839 5.734 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.783 7.133 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.242 6.885 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.985 5.987 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.527 7.083 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.624 7.597 0.238 1.00 0.00 H new ATOM 87 N ALA A 7 5.801 12.382 -0.538 1.00 0.00 N ATOM 88 CA ALA A 7 5.809 13.743 -1.055 1.00 0.00 C ATOM 89 C ALA A 7 7.116 14.479 -0.722 1.00 0.00 C ATOM 90 O ALA A 7 7.492 15.412 -1.435 1.00 0.00 O ATOM 91 CB ALA A 7 4.614 14.520 -0.494 1.00 0.00 C ATOM 0 H ALA A 7 5.160 12.241 0.243 1.00 0.00 H new ATOM 0 HA ALA A 7 5.734 13.683 -2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.626 15.538 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.688 14.028 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.677 14.548 0.594 1.00 0.00 H new ATOM 97 N LEU A 8 7.794 14.089 0.363 1.00 0.00 N ATOM 98 CA LEU A 8 9.036 14.706 0.825 1.00 0.00 C ATOM 99 C LEU A 8 10.245 14.038 0.172 1.00 0.00 C ATOM 100 O LEU A 8 11.254 14.711 -0.049 1.00 0.00 O ATOM 101 CB LEU A 8 9.156 14.613 2.359 1.00 0.00 C ATOM 102 CG LEU A 8 8.041 15.330 3.146 1.00 0.00 C ATOM 103 CD1 LEU A 8 8.229 15.084 4.647 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.014 16.841 2.880 1.00 0.00 C ATOM 0 H LEU A 8 7.485 13.318 0.955 1.00 0.00 H new ATOM 0 HA LEU A 8 9.014 15.757 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.162 13.561 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.117 15.030 2.659 1.00 0.00 H new ATOM 0 HG LEU A 8 7.091 14.918 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.439 15.592 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.183 14.014 4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.199 15.471 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.211 17.298 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.968 17.279 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.844 17.021 1.818 1.00 0.00 H new ATOM 116 N ILE A 9 10.162 12.742 -0.154 1.00 0.00 N ATOM 117 CA ILE A 9 11.185 12.052 -0.939 1.00 0.00 C ATOM 118 C ILE A 9 11.312 12.793 -2.285 1.00 0.00 C ATOM 119 O ILE A 9 10.288 12.998 -2.949 1.00 0.00 O ATOM 120 CB ILE A 9 10.823 10.556 -1.103 1.00 0.00 C ATOM 121 CG1 ILE A 9 10.878 9.862 0.279 1.00 0.00 C ATOM 122 CG2 ILE A 9 11.759 9.843 -2.099 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.486 8.384 0.253 1.00 0.00 C ATOM 0 H ILE A 9 9.382 12.145 0.121 1.00 0.00 H new ATOM 0 HA ILE A 9 12.152 12.068 -0.436 1.00 0.00 H new ATOM 0 HB ILE A 9 9.814 10.492 -1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.888 9.952 0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.216 10.390 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.470 8.796 -2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.683 10.321 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 9 12.787 9.908 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.551 7.973 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.465 8.285 -0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.163 7.840 -0.406 1.00 0.00 H new ATOM 135 N PRO A 10 12.526 13.199 -2.707 1.00 0.00 N ATOM 136 CA PRO A 10 12.717 13.927 -3.954 1.00 0.00 C ATOM 137 C PRO A 10 12.370 13.027 -5.139 1.00 0.00 C ATOM 138 O PRO A 10 12.637 11.823 -5.119 1.00 0.00 O ATOM 139 CB PRO A 10 14.184 14.369 -3.964 1.00 0.00 C ATOM 140 CG PRO A 10 14.878 13.343 -3.070 1.00 0.00 C ATOM 141 CD PRO A 10 13.805 12.994 -2.039 1.00 0.00 C ATOM 0 HA PRO A 10 12.066 14.797 -4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 10 14.596 14.365 -4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.300 15.381 -3.576 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.194 12.466 -3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.769 13.757 -2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.908 11.963 -1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.891 13.628 -1.157 1.00 0.00 H new ATOM 149 N ASP A 11 11.792 13.613 -6.186 1.00 0.00 N ATOM 150 CA ASP A 11 11.300 12.871 -7.347 1.00 0.00 C ATOM 151 C ASP A 11 12.433 12.554 -8.318 1.00 0.00 C ATOM 152 O ASP A 11 12.571 11.417 -8.775 1.00 0.00 O ATOM 153 CB ASP A 11 10.240 13.702 -8.081 1.00 0.00 C ATOM 154 CG ASP A 11 8.863 13.650 -7.416 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.347 12.529 -7.187 1.00 0.00 O ATOM 156 OD2 ASP A 11 8.299 14.735 -7.153 1.00 0.00 O ATOM 0 H ASP A 11 11.651 14.621 -6.254 1.00 0.00 H new ATOM 0 HA ASP A 11 10.869 11.936 -6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.572 14.739 -8.132 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.154 13.344 -9.107 1.00 0.00 H new ATOM 161 N VAL A 12 13.303 13.527 -8.591 1.00 0.00 N ATOM 162 CA VAL A 12 14.305 13.451 -9.649 1.00 0.00 C ATOM 163 C VAL A 12 15.641 13.917 -9.077 1.00 0.00 C ATOM 164 O VAL A 12 15.701 14.918 -8.360 1.00 0.00 O ATOM 165 CB VAL A 12 13.885 14.340 -10.847 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.833 14.172 -12.044 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.456 14.058 -11.336 1.00 0.00 C ATOM 0 H VAL A 12 13.330 14.405 -8.072 1.00 0.00 H new ATOM 0 HA VAL A 12 14.396 12.426 -10.009 1.00 0.00 H new ATOM 0 HB VAL A 12 13.934 15.360 -10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.503 14.812 -12.862 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.844 14.452 -11.749 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.825 13.132 -12.371 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.223 14.713 -12.176 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.379 13.018 -11.654 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.751 14.243 -10.525 1.00 0.00 H new ATOM 177 N ASP A 13 16.707 13.196 -9.413 1.00 0.00 N ATOM 178 CA ASP A 13 18.085 13.596 -9.163 1.00 0.00 C ATOM 179 C ASP A 13 18.901 12.867 -10.226 1.00 0.00 C ATOM 180 O ASP A 13 18.935 11.636 -10.237 1.00 0.00 O ATOM 181 CB ASP A 13 18.540 13.237 -7.738 1.00 0.00 C ATOM 182 CG ASP A 13 19.941 13.783 -7.399 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.601 14.420 -8.252 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.364 13.644 -6.228 1.00 0.00 O ATOM 0 H ASP A 13 16.632 12.292 -9.880 1.00 0.00 H new ATOM 0 HA ASP A 13 18.212 14.677 -9.226 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.819 13.631 -7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.541 12.153 -7.625 1.00 0.00 H new ATOM 189 N ILE A 14 19.437 13.607 -11.195 1.00 0.00 N ATOM 190 CA ILE A 14 20.112 13.051 -12.361 1.00 0.00 C ATOM 191 C ILE A 14 21.338 13.905 -12.689 1.00 0.00 C ATOM 192 O ILE A 14 21.400 15.090 -12.344 1.00 0.00 O ATOM 193 CB ILE A 14 19.154 12.929 -13.578 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.498 14.270 -13.994 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.080 11.852 -13.333 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.791 14.210 -15.354 1.00 0.00 C ATOM 0 H ILE A 14 19.413 14.627 -11.190 1.00 0.00 H new ATOM 0 HA ILE A 14 20.439 12.038 -12.128 1.00 0.00 H new ATOM 0 HB ILE A 14 19.781 12.625 -14.416 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.777 14.564 -13.231 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.263 15.045 -14.025 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.424 11.789 -14.201 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.562 10.888 -13.171 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.493 12.117 -12.453 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.355 15.183 -15.581 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.512 13.946 -16.128 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.003 13.458 -15.321 1.00 0.00 H new ATOM 208 N ASP A 15 22.318 13.289 -13.348 1.00 0.00 N ATOM 209 CA ASP A 15 23.465 13.977 -13.937 1.00 0.00 C ATOM 210 C ASP A 15 23.014 14.862 -15.119 1.00 0.00 C ATOM 211 O ASP A 15 21.840 14.858 -15.502 1.00 0.00 O ATOM 212 CB ASP A 15 24.508 12.926 -14.354 1.00 0.00 C ATOM 213 CG ASP A 15 25.730 13.566 -15.020 1.00 0.00 C ATOM 214 OD1 ASP A 15 26.317 14.493 -14.421 1.00 0.00 O ATOM 215 OD2 ASP A 15 26.031 13.222 -16.180 1.00 0.00 O ATOM 0 H ASP A 15 22.337 12.279 -13.490 1.00 0.00 H new ATOM 0 HA ASP A 15 23.924 14.645 -13.208 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.826 12.363 -13.477 1.00 0.00 H new ATOM 0 HB3 ASP A 15 24.051 12.214 -15.042 1.00 0.00 H new ATOM 220 N SER A 16 23.912 15.659 -15.705 1.00 0.00 N ATOM 221 CA SER A 16 23.661 16.432 -16.922 1.00 0.00 C ATOM 222 C SER A 16 24.951 16.634 -17.743 1.00 0.00 C ATOM 223 O SER A 16 25.014 17.551 -18.564 1.00 0.00 O ATOM 224 CB SER A 16 23.003 17.773 -16.546 1.00 0.00 C ATOM 225 OG SER A 16 21.793 17.566 -15.838 1.00 0.00 O ATOM 0 H SER A 16 24.855 15.787 -15.337 1.00 0.00 H new ATOM 0 HA SER A 16 22.977 15.875 -17.562 1.00 0.00 H new ATOM 0 HB2 SER A 16 23.689 18.360 -15.936 1.00 0.00 H new ATOM 0 HB3 SER A 16 22.806 18.351 -17.449 1.00 0.00 H new ATOM 0 HG SER A 16 21.611 16.605 -15.776 1.00 0.00 H new ATOM 231 N ASP A 17 25.999 15.825 -17.529 1.00 0.00 N ATOM 232 CA ASP A 17 27.291 16.015 -18.198 1.00 0.00 C ATOM 233 C ASP A 17 27.217 15.688 -19.695 1.00 0.00 C ATOM 234 O ASP A 17 27.920 16.314 -20.490 1.00 0.00 O ATOM 235 CB ASP A 17 28.380 15.169 -17.531 1.00 0.00 C ATOM 236 CG ASP A 17 29.756 15.444 -18.158 1.00 0.00 C ATOM 237 OD1 ASP A 17 30.316 16.544 -17.946 1.00 0.00 O ATOM 238 OD2 ASP A 17 30.295 14.542 -18.835 1.00 0.00 O ATOM 0 H ASP A 17 25.974 15.028 -16.893 1.00 0.00 H new ATOM 0 HA ASP A 17 27.548 17.070 -18.098 1.00 0.00 H new ATOM 0 HB2 ASP A 17 28.413 15.389 -16.464 1.00 0.00 H new ATOM 0 HB3 ASP A 17 28.136 14.111 -17.632 1.00 0.00 H new ATOM 243 N GLY A 18 26.342 14.756 -20.097 1.00 0.00 N ATOM 244 CA GLY A 18 26.037 14.524 -21.504 1.00 0.00 C ATOM 245 C GLY A 18 25.126 13.319 -21.722 1.00 0.00 C ATOM 246 O GLY A 18 23.970 13.481 -22.116 1.00 0.00 O ATOM 0 H GLY A 18 25.832 14.148 -19.456 1.00 0.00 H new ATOM 0 HA2 GLY A 18 25.562 15.413 -21.919 1.00 0.00 H new ATOM 0 HA3 GLY A 18 26.967 14.374 -22.053 1.00 0.00 H new ATOM 250 N VAL A 19 25.631 12.116 -21.439 1.00 0.00 N ATOM 251 CA VAL A 19 24.955 10.847 -21.711 1.00 0.00 C ATOM 252 C VAL A 19 25.273 9.918 -20.536 1.00 0.00 C ATOM 253 O VAL A 19 26.423 9.880 -20.090 1.00 0.00 O ATOM 254 CB VAL A 19 25.443 10.256 -23.060 1.00 0.00 C ATOM 255 CG1 VAL A 19 24.674 8.980 -23.436 1.00 0.00 C ATOM 256 CG2 VAL A 19 25.326 11.245 -24.234 1.00 0.00 C ATOM 0 H VAL A 19 26.545 11.995 -21.003 1.00 0.00 H new ATOM 0 HA VAL A 19 23.877 10.979 -21.803 1.00 0.00 H new ATOM 0 HB VAL A 19 26.496 10.028 -22.897 1.00 0.00 H new ATOM 0 HG11 VAL A 19 25.046 8.598 -24.387 1.00 0.00 H new ATOM 0 HG12 VAL A 19 24.818 8.227 -22.661 1.00 0.00 H new ATOM 0 HG13 VAL A 19 23.612 9.209 -23.527 1.00 0.00 H new ATOM 0 HG21 VAL A 19 25.684 10.770 -25.147 1.00 0.00 H new ATOM 0 HG22 VAL A 19 24.284 11.537 -24.361 1.00 0.00 H new ATOM 0 HG23 VAL A 19 25.928 12.130 -24.026 1.00 0.00 H new ATOM 266 N PHE A 20 24.276 9.199 -20.014 1.00 0.00 N ATOM 267 CA PHE A 20 24.418 8.312 -18.860 1.00 0.00 C ATOM 268 C PHE A 20 23.231 7.348 -18.791 1.00 0.00 C ATOM 269 O PHE A 20 22.200 7.577 -19.427 1.00 0.00 O ATOM 270 CB PHE A 20 24.523 9.131 -17.562 1.00 0.00 C ATOM 271 CG PHE A 20 23.462 10.203 -17.373 1.00 0.00 C ATOM 272 CD1 PHE A 20 23.670 11.501 -17.879 1.00 0.00 C ATOM 273 CD2 PHE A 20 22.270 9.908 -16.687 1.00 0.00 C ATOM 274 CE1 PHE A 20 22.684 12.489 -17.715 1.00 0.00 C ATOM 275 CE2 PHE A 20 21.298 10.903 -16.497 1.00 0.00 C ATOM 276 CZ PHE A 20 21.501 12.191 -17.019 1.00 0.00 C ATOM 0 H PHE A 20 23.328 9.219 -20.391 1.00 0.00 H new ATOM 0 HA PHE A 20 25.334 7.732 -18.974 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.475 8.445 -16.716 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.503 9.606 -17.532 1.00 0.00 H new ATOM 0 HD1 PHE A 20 24.589 11.738 -18.394 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.102 8.912 -16.305 1.00 0.00 H new ATOM 0 HE1 PHE A 20 22.836 13.477 -18.124 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.395 10.678 -15.950 1.00 0.00 H new ATOM 0 HZ PHE A 20 20.747 12.953 -16.885 1.00 0.00 H new ATOM 286 N LYS A 21 23.360 6.264 -18.020 1.00 0.00 N ATOM 287 CA LYS A 21 22.271 5.309 -17.813 1.00 0.00 C ATOM 288 C LYS A 21 21.385 5.794 -16.672 1.00 0.00 C ATOM 289 O LYS A 21 21.834 6.541 -15.801 1.00 0.00 O ATOM 290 CB LYS A 21 22.810 3.902 -17.481 1.00 0.00 C ATOM 291 CG LYS A 21 23.344 3.093 -18.675 1.00 0.00 C ATOM 292 CD LYS A 21 24.723 3.549 -19.181 1.00 0.00 C ATOM 293 CE LYS A 21 25.279 2.652 -20.300 1.00 0.00 C ATOM 294 NZ LYS A 21 25.500 1.247 -19.871 1.00 0.00 N ATOM 0 H LYS A 21 24.219 6.026 -17.524 1.00 0.00 H new ATOM 0 HA LYS A 21 21.696 5.243 -18.737 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.610 4.003 -16.748 1.00 0.00 H new ATOM 0 HB3 LYS A 21 22.013 3.330 -17.006 1.00 0.00 H new ATOM 0 HG2 LYS A 21 23.403 2.043 -18.390 1.00 0.00 H new ATOM 0 HG3 LYS A 21 22.628 3.161 -19.494 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.649 4.573 -19.547 1.00 0.00 H new ATOM 0 HD3 LYS A 21 25.425 3.558 -18.347 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.587 2.663 -21.142 1.00 0.00 H new ATOM 0 HE3 LYS A 21 26.221 3.069 -20.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.155 0.781 -20.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 25.907 1.236 -18.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.593 0.739 -19.867 1.00 0.00 H new ATOM 308 N TYR A 22 20.138 5.327 -16.652 1.00 0.00 N ATOM 309 CA TYR A 22 19.149 5.687 -15.646 1.00 0.00 C ATOM 310 C TYR A 22 18.331 4.446 -15.271 1.00 0.00 C ATOM 311 O TYR A 22 18.400 3.406 -15.945 1.00 0.00 O ATOM 312 CB TYR A 22 18.300 6.874 -16.155 1.00 0.00 C ATOM 313 CG TYR A 22 16.825 6.593 -16.357 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.427 5.717 -17.377 1.00 0.00 C ATOM 315 CD2 TYR A 22 15.863 7.136 -15.483 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.080 5.363 -17.520 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.504 6.814 -15.647 1.00 0.00 C ATOM 318 CZ TYR A 22 14.106 5.937 -16.678 1.00 0.00 C ATOM 319 OH TYR A 22 12.787 5.677 -16.895 1.00 0.00 O ATOM 0 H TYR A 22 19.783 4.674 -17.351 1.00 0.00 H new ATOM 0 HA TYR A 22 19.627 6.029 -14.728 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.400 7.697 -15.447 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.718 7.215 -17.102 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.163 5.313 -18.056 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.169 7.799 -14.687 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.787 4.650 -18.276 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.765 7.238 -14.984 1.00 0.00 H new ATOM 0 HH TYR A 22 12.292 6.521 -16.953 1.00 0.00 H new ATOM 329 N VAL A 23 17.548 4.563 -14.202 1.00 0.00 N ATOM 330 CA VAL A 23 16.609 3.557 -13.740 1.00 0.00 C ATOM 331 C VAL A 23 15.377 4.291 -13.191 1.00 0.00 C ATOM 332 O VAL A 23 15.472 5.438 -12.734 1.00 0.00 O ATOM 333 CB VAL A 23 17.324 2.637 -12.721 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.593 3.328 -11.375 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.580 1.316 -12.491 1.00 0.00 C ATOM 0 H VAL A 23 17.554 5.396 -13.614 1.00 0.00 H new ATOM 0 HA VAL A 23 16.259 2.899 -14.536 1.00 0.00 H new ATOM 0 HB VAL A 23 18.286 2.409 -13.179 1.00 0.00 H new ATOM 0 HG11 VAL A 23 18.096 2.633 -10.703 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.226 4.201 -11.534 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.648 3.641 -10.932 1.00 0.00 H new ATOM 0 HG21 VAL A 23 17.127 0.711 -11.768 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.580 1.523 -12.109 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.503 0.773 -13.433 1.00 0.00 H new ATOM 345 N LEU A 24 14.227 3.615 -13.209 1.00 0.00 N ATOM 346 CA LEU A 24 12.964 4.113 -12.685 1.00 0.00 C ATOM 347 C LEU A 24 12.588 3.149 -11.575 1.00 0.00 C ATOM 348 O LEU A 24 12.429 1.959 -11.859 1.00 0.00 O ATOM 349 CB LEU A 24 11.911 4.108 -13.808 1.00 0.00 C ATOM 350 CG LEU A 24 10.550 4.731 -13.436 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.652 6.245 -13.237 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.540 4.460 -14.559 1.00 0.00 C ATOM 0 H LEU A 24 14.152 2.677 -13.602 1.00 0.00 H new ATOM 0 HA LEU A 24 13.031 5.135 -12.312 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.316 4.645 -14.666 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.746 3.078 -14.125 1.00 0.00 H new ATOM 0 HG LEU A 24 10.227 4.277 -12.499 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.672 6.645 -12.976 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.357 6.460 -12.434 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.000 6.711 -14.159 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.578 4.900 -14.297 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.901 4.903 -15.487 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.423 3.384 -14.691 1.00 0.00 H new ATOM 364 N ILE A 25 12.479 3.611 -10.328 1.00 0.00 N ATOM 365 CA ILE A 25 12.229 2.717 -9.199 1.00 0.00 C ATOM 366 C ILE A 25 10.966 3.168 -8.477 1.00 0.00 C ATOM 367 O ILE A 25 10.774 4.360 -8.233 1.00 0.00 O ATOM 368 CB ILE A 25 13.481 2.482 -8.299 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.406 3.089 -6.881 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.818 2.877 -8.958 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.474 2.549 -5.925 1.00 0.00 C ATOM 0 H ILE A 25 12.560 4.596 -10.076 1.00 0.00 H new ATOM 0 HA ILE A 25 12.037 1.710 -9.570 1.00 0.00 H new ATOM 0 HB ILE A 25 13.460 1.398 -8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.509 4.172 -6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.420 2.889 -6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.637 2.682 -8.265 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.963 2.291 -9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.800 3.937 -9.209 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.360 3.020 -4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.359 1.470 -5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.464 2.772 -6.322 1.00 0.00 H new ATOM 383 N ARG A 26 10.099 2.209 -8.151 1.00 0.00 N ATOM 384 CA ARG A 26 8.956 2.427 -7.283 1.00 0.00 C ATOM 385 C ARG A 26 9.445 2.471 -5.842 1.00 0.00 C ATOM 386 O ARG A 26 10.386 1.759 -5.494 1.00 0.00 O ATOM 387 CB ARG A 26 7.930 1.307 -7.510 1.00 0.00 C ATOM 388 CG ARG A 26 6.659 1.490 -6.660 1.00 0.00 C ATOM 389 CD ARG A 26 5.474 0.702 -7.228 1.00 0.00 C ATOM 390 NE ARG A 26 4.947 1.367 -8.428 1.00 0.00 N ATOM 391 CZ ARG A 26 4.169 0.848 -9.380 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.787 -0.426 -9.352 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.790 1.657 -10.357 1.00 0.00 N ATOM 0 H ARG A 26 10.177 1.250 -8.489 1.00 0.00 H new ATOM 0 HA ARG A 26 8.465 3.374 -7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.657 1.278 -8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.387 0.346 -7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.855 1.164 -5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.402 2.548 -6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.788 -0.312 -7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.690 0.619 -6.476 1.00 0.00 H new ATOM 0 HE ARG A 26 5.208 2.346 -8.548 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.089 -1.032 -8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.192 -0.796 -10.093 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.093 2.631 -10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.195 1.306 -11.108 1.00 0.00 H new ATOM 407 N VAL A 27 8.770 3.252 -5.008 1.00 0.00 N ATOM 408 CA VAL A 27 9.035 3.433 -3.592 1.00 0.00 C ATOM 409 C VAL A 27 7.664 3.352 -2.923 1.00 0.00 C ATOM 410 O VAL A 27 6.747 4.061 -3.345 1.00 0.00 O ATOM 411 CB VAL A 27 9.690 4.816 -3.361 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.151 4.999 -1.912 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.855 5.144 -4.307 1.00 0.00 C ATOM 0 H VAL A 27 7.976 3.808 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 27 9.719 2.687 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 27 8.890 5.521 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.604 5.983 -1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.294 4.913 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.883 4.231 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.250 6.132 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.642 4.400 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.501 5.133 -5.338 1.00 0.00 H new ATOM 423 N HIS A 28 7.501 2.488 -1.922 1.00 0.00 N ATOM 424 CA HIS A 28 6.258 2.354 -1.159 1.00 0.00 C ATOM 425 C HIS A 28 6.354 3.181 0.128 1.00 0.00 C ATOM 426 O HIS A 28 7.447 3.332 0.687 1.00 0.00 O ATOM 427 CB HIS A 28 6.028 0.874 -0.828 1.00 0.00 C ATOM 428 CG HIS A 28 5.947 -0.017 -2.046 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.013 0.053 -3.056 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.785 -1.056 -2.354 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.274 -0.925 -3.938 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.353 -1.632 -3.556 1.00 0.00 N ATOM 0 H HIS A 28 8.237 1.853 -1.613 1.00 0.00 H new ATOM 0 HA HIS A 28 5.418 2.722 -1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.837 0.525 -0.187 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.105 0.778 -0.257 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.635 -1.377 -1.769 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.697 -1.118 -4.831 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.771 -2.425 -4.042 1.00 0.00 H new ATOM 440 N SER A 29 5.226 3.698 0.624 1.00 0.00 N ATOM 441 CA SER A 29 5.157 4.433 1.879 1.00 0.00 C ATOM 442 C SER A 29 5.486 3.510 3.061 1.00 0.00 C ATOM 443 O SER A 29 4.641 2.728 3.499 1.00 0.00 O ATOM 444 CB SER A 29 3.769 5.058 2.082 1.00 0.00 C ATOM 445 OG SER A 29 3.326 5.777 0.953 1.00 0.00 O ATOM 0 H SER A 29 4.325 3.613 0.154 1.00 0.00 H new ATOM 0 HA SER A 29 5.894 5.235 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.051 4.271 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.798 5.725 2.944 1.00 0.00 H new ATOM 0 HG SER A 29 2.439 6.153 1.132 1.00 0.00 H new ATOM 451 N ALA A 30 6.716 3.589 3.570 1.00 0.00 N ATOM 452 CA ALA A 30 7.141 2.965 4.818 1.00 0.00 C ATOM 453 C ALA A 30 8.305 3.692 5.546 1.00 0.00 C ATOM 454 O ALA A 30 8.935 3.025 6.370 1.00 0.00 O ATOM 455 CB ALA A 30 7.455 1.478 4.565 1.00 0.00 C ATOM 0 H ALA A 30 7.465 4.105 3.109 1.00 0.00 H new ATOM 0 HA ALA A 30 6.306 3.053 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.773 1.010 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.562 0.976 4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.252 1.395 3.827 1.00 0.00 H new ATOM 461 N PRO A 31 8.657 4.988 5.319 1.00 0.00 N ATOM 462 CA PRO A 31 9.683 5.654 6.127 1.00 0.00 C ATOM 463 C PRO A 31 9.556 5.389 7.630 1.00 0.00 C ATOM 464 O PRO A 31 8.459 5.425 8.194 1.00 0.00 O ATOM 465 CB PRO A 31 9.579 7.147 5.830 1.00 0.00 C ATOM 466 CG PRO A 31 9.107 7.158 4.384 1.00 0.00 C ATOM 467 CD PRO A 31 8.160 5.960 4.340 1.00 0.00 C ATOM 0 HA PRO A 31 10.659 5.251 5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.871 7.645 6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.537 7.653 5.949 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.598 8.088 4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.936 7.047 3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.141 6.264 4.581 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.135 5.524 3.341 1.00 0.00 H new ATOM 475 N ARG A 32 10.704 5.128 8.266 1.00 0.00 N ATOM 476 CA ARG A 32 10.866 4.809 9.688 1.00 0.00 C ATOM 477 C ARG A 32 9.863 3.767 10.208 1.00 0.00 C ATOM 478 O ARG A 32 9.568 3.751 11.405 1.00 0.00 O ATOM 479 CB ARG A 32 10.877 6.121 10.501 1.00 0.00 C ATOM 480 CG ARG A 32 11.904 7.186 10.058 1.00 0.00 C ATOM 481 CD ARG A 32 13.369 6.865 10.391 1.00 0.00 C ATOM 482 NE ARG A 32 13.955 5.812 9.535 1.00 0.00 N ATOM 483 CZ ARG A 32 14.544 4.681 9.950 1.00 0.00 C ATOM 484 NH1 ARG A 32 14.492 4.309 11.228 1.00 0.00 N ATOM 485 NH2 ARG A 32 15.180 3.911 9.076 1.00 0.00 N ATOM 0 H ARG A 32 11.597 5.134 7.772 1.00 0.00 H new ATOM 0 HA ARG A 32 11.828 4.313 9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.882 6.563 10.453 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.066 5.876 11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.816 7.326 8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.642 8.136 10.525 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.963 7.774 10.292 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.436 6.553 11.433 1.00 0.00 H new ATOM 0 HE ARG A 32 13.906 5.961 8.527 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.999 4.888 11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.946 3.446 11.527 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.219 4.180 8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.629 3.050 9.387 1.00 0.00 H new ATOM 499 N SER A 33 9.344 2.898 9.332 1.00 0.00 N ATOM 500 CA SER A 33 8.316 1.907 9.637 1.00 0.00 C ATOM 501 C SER A 33 7.095 2.525 10.352 1.00 0.00 C ATOM 502 O SER A 33 6.470 1.871 11.190 1.00 0.00 O ATOM 503 CB SER A 33 8.948 0.727 10.397 1.00 0.00 C ATOM 504 OG SER A 33 10.117 0.256 9.735 1.00 0.00 O ATOM 0 H SER A 33 9.642 2.868 8.357 1.00 0.00 H new ATOM 0 HA SER A 33 7.912 1.517 8.703 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.201 1.037 11.411 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.224 -0.083 10.483 1.00 0.00 H new ATOM 0 HG SER A 33 10.500 -0.492 10.239 1.00 0.00 H new ATOM 510 N GLY A 34 6.760 3.785 10.041 1.00 0.00 N ATOM 511 CA GLY A 34 5.723 4.547 10.736 1.00 0.00 C ATOM 512 C GLY A 34 4.942 5.473 9.804 1.00 0.00 C ATOM 513 O GLY A 34 4.336 6.438 10.273 1.00 0.00 O ATOM 0 H GLY A 34 7.210 4.307 9.289 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.031 3.855 11.217 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.183 5.139 11.527 1.00 0.00 H new ATOM 517 N ALA A 35 4.966 5.207 8.492 1.00 0.00 N ATOM 518 CA ALA A 35 4.214 5.975 7.505 1.00 0.00 C ATOM 519 C ALA A 35 2.699 5.889 7.784 1.00 0.00 C ATOM 520 O ALA A 35 2.228 4.854 8.267 1.00 0.00 O ATOM 521 CB ALA A 35 4.540 5.447 6.104 1.00 0.00 C ATOM 0 H ALA A 35 5.513 4.447 8.088 1.00 0.00 H new ATOM 0 HA ALA A 35 4.501 7.024 7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.981 6.017 5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.608 5.553 5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.263 4.395 6.038 1.00 0.00 H new ATOM 527 N PRO A 36 1.914 6.930 7.446 1.00 0.00 N ATOM 528 CA PRO A 36 0.474 6.971 7.711 1.00 0.00 C ATOM 529 C PRO A 36 -0.358 6.116 6.740 1.00 0.00 C ATOM 530 O PRO A 36 -1.563 5.958 6.953 1.00 0.00 O ATOM 531 CB PRO A 36 0.099 8.454 7.605 1.00 0.00 C ATOM 532 CG PRO A 36 1.088 8.990 6.572 1.00 0.00 C ATOM 533 CD PRO A 36 2.358 8.200 6.882 1.00 0.00 C ATOM 0 HA PRO A 36 0.254 6.545 8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.933 8.586 7.281 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.200 8.965 8.563 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.742 8.817 5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.243 10.064 6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.949 8.041 5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.991 8.740 7.586 1.00 0.00 H new ATOM 541 N ALA A 37 0.248 5.593 5.670 1.00 0.00 N ATOM 542 CA ALA A 37 -0.418 4.897 4.577 1.00 0.00 C ATOM 543 C ALA A 37 0.570 3.924 3.921 1.00 0.00 C ATOM 544 O ALA A 37 1.720 3.829 4.356 1.00 0.00 O ATOM 545 CB ALA A 37 -0.916 5.947 3.573 1.00 0.00 C ATOM 0 H ALA A 37 1.258 5.648 5.541 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.269 4.320 4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.419 5.448 2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.614 6.622 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.069 6.517 3.193 1.00 0.00 H new ATOM 551 N ALA A 38 0.137 3.245 2.854 1.00 0.00 N ATOM 552 CA ALA A 38 0.933 2.323 2.044 1.00 0.00 C ATOM 553 C ALA A 38 0.701 2.627 0.560 1.00 0.00 C ATOM 554 O ALA A 38 0.391 1.739 -0.239 1.00 0.00 O ATOM 555 CB ALA A 38 0.632 0.870 2.427 1.00 0.00 C ATOM 0 H ALA A 38 -0.822 3.328 2.518 1.00 0.00 H new ATOM 0 HA ALA A 38 1.996 2.465 2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.234 0.200 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.873 0.714 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.425 0.662 2.262 1.00 0.00 H new ATOM 561 N GLU A 39 0.788 3.912 0.212 1.00 0.00 N ATOM 562 CA GLU A 39 0.789 4.368 -1.170 1.00 0.00 C ATOM 563 C GLU A 39 2.148 4.050 -1.821 1.00 0.00 C ATOM 564 O GLU A 39 3.021 3.434 -1.199 1.00 0.00 O ATOM 565 CB GLU A 39 0.463 5.876 -1.229 1.00 0.00 C ATOM 566 CG GLU A 39 -0.888 6.255 -0.601 1.00 0.00 C ATOM 567 CD GLU A 39 -2.078 5.525 -1.252 1.00 0.00 C ATOM 568 OE1 GLU A 39 -2.381 5.783 -2.440 1.00 0.00 O ATOM 569 OE2 GLU A 39 -2.742 4.705 -0.578 1.00 0.00 O ATOM 0 H GLU A 39 0.860 4.669 0.892 1.00 0.00 H new ATOM 0 HA GLU A 39 0.017 3.842 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.254 6.427 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.469 6.197 -2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.865 6.024 0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.035 7.331 -0.691 1.00 0.00 H new ATOM 576 N SER A 40 2.336 4.473 -3.076 1.00 0.00 N ATOM 577 CA SER A 40 3.596 4.332 -3.797 1.00 0.00 C ATOM 578 C SER A 40 3.860 5.567 -4.666 1.00 0.00 C ATOM 579 O SER A 40 2.933 6.306 -5.014 1.00 0.00 O ATOM 580 CB SER A 40 3.592 3.068 -4.667 1.00 0.00 C ATOM 581 OG SER A 40 3.099 1.932 -3.976 1.00 0.00 O ATOM 0 H SER A 40 1.605 4.928 -3.622 1.00 0.00 H new ATOM 0 HA SER A 40 4.395 4.242 -3.061 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.981 3.243 -5.553 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.606 2.866 -5.013 1.00 0.00 H new ATOM 0 HG SER A 40 3.842 1.471 -3.533 1.00 0.00 H new ATOM 587 N LYS A 41 5.125 5.766 -5.037 1.00 0.00 N ATOM 588 CA LYS A 41 5.609 6.773 -5.983 1.00 0.00 C ATOM 589 C LYS A 41 6.672 6.113 -6.854 1.00 0.00 C ATOM 590 O LYS A 41 7.193 5.060 -6.488 1.00 0.00 O ATOM 591 CB LYS A 41 6.202 8.009 -5.256 1.00 0.00 C ATOM 592 CG LYS A 41 7.526 7.703 -4.518 1.00 0.00 C ATOM 593 CD LYS A 41 8.300 8.875 -3.896 1.00 0.00 C ATOM 594 CE LYS A 41 8.685 9.994 -4.877 1.00 0.00 C ATOM 595 NZ LYS A 41 7.794 11.180 -4.807 1.00 0.00 N ATOM 0 H LYS A 41 5.884 5.196 -4.664 1.00 0.00 H new ATOM 0 HA LYS A 41 4.776 7.134 -6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.374 8.803 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.472 8.386 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.307 6.990 -3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.191 7.201 -5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.697 9.305 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.209 8.487 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.709 10.307 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.668 9.597 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.111 11.894 -5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.819 10.895 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.827 11.583 -3.849 1.00 0.00 H new ATOM 609 N GLU A 42 7.038 6.748 -7.959 1.00 0.00 N ATOM 610 CA GLU A 42 8.194 6.372 -8.756 1.00 0.00 C ATOM 611 C GLU A 42 9.208 7.504 -8.602 1.00 0.00 C ATOM 612 O GLU A 42 8.808 8.669 -8.498 1.00 0.00 O ATOM 613 CB GLU A 42 7.816 6.199 -10.233 1.00 0.00 C ATOM 614 CG GLU A 42 7.007 4.931 -10.534 1.00 0.00 C ATOM 615 CD GLU A 42 5.549 4.964 -10.044 1.00 0.00 C ATOM 616 OE1 GLU A 42 4.826 5.956 -10.292 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.100 3.949 -9.464 1.00 0.00 O ATOM 0 H GLU A 42 6.531 7.551 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 42 8.600 5.418 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.240 7.068 -10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.728 6.184 -10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.010 4.762 -11.611 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.510 4.079 -10.077 1.00 0.00 H new ATOM 624 N ILE A 43 10.502 7.186 -8.624 1.00 0.00 N ATOM 625 CA ILE A 43 11.588 8.160 -8.644 1.00 0.00 C ATOM 626 C ILE A 43 12.524 7.869 -9.816 1.00 0.00 C ATOM 627 O ILE A 43 12.628 6.729 -10.279 1.00 0.00 O ATOM 628 CB ILE A 43 12.341 8.198 -7.295 1.00 0.00 C ATOM 629 CG1 ILE A 43 12.966 6.840 -6.917 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.398 8.712 -6.197 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.874 6.894 -5.684 1.00 0.00 C ATOM 0 H ILE A 43 10.830 6.220 -8.628 1.00 0.00 H new ATOM 0 HA ILE A 43 11.164 9.154 -8.787 1.00 0.00 H new ATOM 0 HB ILE A 43 13.180 8.886 -7.400 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.167 6.122 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.542 6.468 -7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.928 8.739 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.057 9.716 -6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.539 8.047 -6.115 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.275 5.900 -5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.696 7.586 -5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.299 7.234 -4.823 1.00 0.00 H new ATOM 643 N VAL A 44 13.213 8.914 -10.267 1.00 0.00 N ATOM 644 CA VAL A 44 14.001 8.945 -11.492 1.00 0.00 C ATOM 645 C VAL A 44 15.440 9.225 -11.062 1.00 0.00 C ATOM 646 O VAL A 44 15.695 10.269 -10.449 1.00 0.00 O ATOM 647 CB VAL A 44 13.431 10.066 -12.396 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.211 10.245 -13.706 1.00 0.00 C ATOM 649 CG2 VAL A 44 11.947 9.853 -12.743 1.00 0.00 C ATOM 0 H VAL A 44 13.237 9.801 -9.764 1.00 0.00 H new ATOM 0 HA VAL A 44 13.966 8.014 -12.058 1.00 0.00 H new ATOM 0 HB VAL A 44 13.538 10.970 -11.796 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.759 11.046 -14.292 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.247 10.500 -13.481 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.182 9.317 -14.277 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.601 10.669 -13.378 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.829 8.907 -13.271 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.358 9.833 -11.826 1.00 0.00 H new ATOM 659 N ARG A 45 16.370 8.307 -11.345 1.00 0.00 N ATOM 660 CA ARG A 45 17.787 8.442 -10.989 1.00 0.00 C ATOM 661 C ARG A 45 18.627 8.005 -12.179 1.00 0.00 C ATOM 662 O ARG A 45 18.228 7.090 -12.898 1.00 0.00 O ATOM 663 CB ARG A 45 18.140 7.563 -9.769 1.00 0.00 C ATOM 664 CG ARG A 45 17.416 7.923 -8.462 1.00 0.00 C ATOM 665 CD ARG A 45 17.754 9.315 -7.914 1.00 0.00 C ATOM 666 NE ARG A 45 16.536 10.127 -7.792 1.00 0.00 N ATOM 667 CZ ARG A 45 15.847 10.397 -6.681 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.319 10.083 -5.477 1.00 0.00 N ATOM 669 NH2 ARG A 45 14.660 10.971 -6.795 1.00 0.00 N ATOM 0 H ARG A 45 16.157 7.438 -11.834 1.00 0.00 H new ATOM 0 HA ARG A 45 17.990 9.482 -10.731 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.916 6.525 -10.014 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.215 7.625 -9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.340 7.862 -8.628 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.664 7.178 -7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.236 9.222 -6.941 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.464 9.811 -8.576 1.00 0.00 H new ATOM 0 HE ARG A 45 16.175 10.531 -8.656 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.226 9.626 -5.388 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.773 10.300 -4.643 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.290 11.198 -7.718 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.115 11.187 -5.960 1.00 0.00 H new ATOM 683 N GLY A 46 19.798 8.609 -12.370 1.00 0.00 N ATOM 684 CA GLY A 46 20.722 8.227 -13.425 1.00 0.00 C ATOM 685 C GLY A 46 21.941 9.128 -13.412 1.00 0.00 C ATOM 686 O GLY A 46 21.800 10.347 -13.305 1.00 0.00 O ATOM 0 H GLY A 46 20.130 9.381 -11.792 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.028 7.189 -13.291 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.225 8.291 -14.393 1.00 0.00 H new ATOM 690 N TYR A 47 23.131 8.530 -13.510 1.00 0.00 N ATOM 691 CA TYR A 47 24.406 9.228 -13.379 1.00 0.00 C ATOM 692 C TYR A 47 25.486 8.429 -14.101 1.00 0.00 C ATOM 693 O TYR A 47 25.376 7.206 -14.199 1.00 0.00 O ATOM 694 CB TYR A 47 24.815 9.348 -11.899 1.00 0.00 C ATOM 695 CG TYR A 47 23.734 9.762 -10.917 1.00 0.00 C ATOM 696 CD1 TYR A 47 22.934 8.771 -10.316 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.556 11.115 -10.568 1.00 0.00 C ATOM 698 CE1 TYR A 47 21.993 9.116 -9.333 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.613 11.471 -9.586 1.00 0.00 C ATOM 700 CZ TYR A 47 21.848 10.469 -8.945 1.00 0.00 C ATOM 701 OH TYR A 47 21.018 10.804 -7.920 1.00 0.00 O ATOM 0 H TYR A 47 23.234 7.531 -13.686 1.00 0.00 H new ATOM 0 HA TYR A 47 24.298 10.224 -13.808 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.213 8.385 -11.578 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.630 10.069 -11.830 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.045 7.739 -10.613 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.144 11.880 -11.054 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.382 8.352 -8.875 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.474 12.509 -9.322 1.00 0.00 H new ATOM 0 HH TYR A 47 21.495 11.382 -7.289 1.00 0.00 H new ATOM 711 N LYS A 48 26.566 9.088 -14.543 1.00 0.00 N ATOM 712 CA LYS A 48 27.688 8.395 -15.185 1.00 0.00 C ATOM 713 C LYS A 48 28.351 7.374 -14.259 1.00 0.00 C ATOM 714 O LYS A 48 28.848 6.366 -14.760 1.00 0.00 O ATOM 715 CB LYS A 48 28.738 9.391 -15.711 1.00 0.00 C ATOM 716 CG LYS A 48 28.295 10.048 -17.026 1.00 0.00 C ATOM 717 CD LYS A 48 29.432 10.858 -17.667 1.00 0.00 C ATOM 718 CE LYS A 48 29.030 11.262 -19.091 1.00 0.00 C ATOM 719 NZ LYS A 48 30.117 11.973 -19.805 1.00 0.00 N ATOM 0 H LYS A 48 26.685 10.098 -14.467 1.00 0.00 H new ATOM 0 HA LYS A 48 27.266 7.851 -16.030 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.915 10.162 -14.961 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.685 8.873 -15.865 1.00 0.00 H new ATOM 0 HG2 LYS A 48 27.959 9.279 -17.722 1.00 0.00 H new ATOM 0 HG3 LYS A 48 27.444 10.702 -16.837 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.642 11.746 -17.071 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.347 10.266 -17.690 1.00 0.00 H new ATOM 0 HE2 LYS A 48 28.752 10.371 -19.654 1.00 0.00 H new ATOM 0 HE3 LYS A 48 28.148 11.901 -19.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 29.835 12.135 -20.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.297 12.887 -19.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 30.983 11.397 -19.782 1.00 0.00 H new ATOM 733 N TRP A 49 28.372 7.603 -12.938 1.00 0.00 N ATOM 734 CA TRP A 49 29.000 6.658 -12.018 1.00 0.00 C ATOM 735 C TRP A 49 28.285 5.302 -12.016 1.00 0.00 C ATOM 736 O TRP A 49 28.944 4.277 -11.832 1.00 0.00 O ATOM 737 CB TRP A 49 29.171 7.253 -10.609 1.00 0.00 C ATOM 738 CG TRP A 49 27.996 7.907 -9.933 1.00 0.00 C ATOM 739 CD1 TRP A 49 27.870 9.236 -9.714 1.00 0.00 C ATOM 740 CD2 TRP A 49 26.825 7.299 -9.297 1.00 0.00 C ATOM 741 NE1 TRP A 49 26.724 9.490 -8.988 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.042 8.330 -8.694 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.345 5.982 -9.154 1.00 0.00 C ATOM 744 CZ2 TRP A 49 24.852 8.063 -7.995 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.118 5.711 -8.522 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.364 6.748 -7.949 1.00 0.00 C ATOM 0 H TRP A 49 27.965 8.425 -12.492 1.00 0.00 H new ATOM 0 HA TRP A 49 30.008 6.467 -12.386 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.519 6.452 -9.956 1.00 0.00 H new ATOM 0 HB3 TRP A 49 29.971 7.992 -10.661 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.565 9.988 -10.057 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.420 10.421 -8.704 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.933 5.162 -9.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.319 8.861 -7.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.752 4.696 -8.477 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.416 6.535 -7.477 1.00 0.00 H new ATOM 757 N ALA A 50 26.970 5.262 -12.270 1.00 0.00 N ATOM 758 CA ALA A 50 26.250 4.021 -12.495 1.00 0.00 C ATOM 759 C ALA A 50 26.351 3.666 -13.976 1.00 0.00 C ATOM 760 O ALA A 50 25.434 3.910 -14.759 1.00 0.00 O ATOM 761 CB ALA A 50 24.805 4.120 -12.018 1.00 0.00 C ATOM 0 H ALA A 50 26.384 6.095 -12.323 1.00 0.00 H new ATOM 0 HA ALA A 50 26.700 3.220 -11.909 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.296 3.174 -12.202 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.788 4.340 -10.951 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.297 4.917 -12.560 1.00 0.00 H new ATOM 767 N GLU A 51 27.484 3.076 -14.362 1.00 0.00 N ATOM 768 CA GLU A 51 27.700 2.577 -15.720 1.00 0.00 C ATOM 769 C GLU A 51 26.702 1.461 -16.085 1.00 0.00 C ATOM 770 O GLU A 51 26.556 1.133 -17.264 1.00 0.00 O ATOM 771 CB GLU A 51 29.145 2.072 -15.873 1.00 0.00 C ATOM 772 CG GLU A 51 30.184 3.188 -15.692 1.00 0.00 C ATOM 773 CD GLU A 51 31.611 2.680 -15.961 1.00 0.00 C ATOM 774 OE1 GLU A 51 32.081 2.750 -17.120 1.00 0.00 O ATOM 775 OE2 GLU A 51 32.289 2.220 -15.015 1.00 0.00 O ATOM 0 H GLU A 51 28.279 2.931 -13.740 1.00 0.00 H new ATOM 0 HA GLU A 51 27.532 3.405 -16.409 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.330 1.286 -15.141 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.267 1.624 -16.859 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.956 4.011 -16.369 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.122 3.583 -14.678 1.00 0.00 H new ATOM 782 N TYR A 52 26.004 0.889 -15.097 1.00 0.00 N ATOM 783 CA TYR A 52 24.995 -0.146 -15.251 1.00 0.00 C ATOM 784 C TYR A 52 23.827 0.182 -14.322 1.00 0.00 C ATOM 785 O TYR A 52 24.021 0.644 -13.196 1.00 0.00 O ATOM 786 CB TYR A 52 25.561 -1.549 -14.971 1.00 0.00 C ATOM 787 CG TYR A 52 26.668 -1.641 -13.936 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.977 -1.280 -14.300 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.403 -2.099 -12.634 1.00 0.00 C ATOM 790 CE1 TYR A 52 29.024 -1.358 -13.366 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.446 -2.192 -11.693 1.00 0.00 C ATOM 792 CZ TYR A 52 28.761 -1.818 -12.054 1.00 0.00 C ATOM 793 OH TYR A 52 29.762 -1.907 -11.132 1.00 0.00 O ATOM 0 H TYR A 52 26.140 1.155 -14.122 1.00 0.00 H new ATOM 0 HA TYR A 52 24.651 -0.163 -16.285 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.740 -2.190 -14.650 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.936 -1.958 -15.909 1.00 0.00 H new ATOM 0 HD1 TYR A 52 28.179 -0.940 -15.305 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.398 -2.380 -12.355 1.00 0.00 H new ATOM 0 HE1 TYR A 52 30.025 -1.068 -13.648 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.242 -2.549 -10.695 1.00 0.00 H new ATOM 0 HH TYR A 52 29.398 -2.241 -10.285 1.00 0.00 H new ATOM 803 N HIS A 53 22.609 -0.091 -14.794 1.00 0.00 N ATOM 804 CA HIS A 53 21.350 0.249 -14.126 1.00 0.00 C ATOM 805 C HIS A 53 21.231 -0.425 -12.754 1.00 0.00 C ATOM 806 O HIS A 53 20.637 0.135 -11.833 1.00 0.00 O ATOM 807 CB HIS A 53 20.158 -0.155 -15.017 1.00 0.00 C ATOM 808 CG HIS A 53 20.364 0.127 -16.487 1.00 0.00 C ATOM 809 ND1 HIS A 53 20.004 1.265 -17.174 1.00 0.00 N ATOM 810 CD2 HIS A 53 21.002 -0.698 -17.378 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.435 1.127 -18.441 1.00 0.00 C ATOM 812 NE2 HIS A 53 21.057 -0.051 -18.614 1.00 0.00 N ATOM 0 H HIS A 53 22.467 -0.571 -15.682 1.00 0.00 H new ATOM 0 HA HIS A 53 21.340 1.327 -13.966 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.964 -1.220 -14.886 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.268 0.375 -14.677 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.502 2.066 -16.792 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.395 -1.680 -17.161 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.299 1.866 -19.217 1.00 0.00 H new ATOM 820 N ALA A 54 21.818 -1.617 -12.597 1.00 0.00 N ATOM 821 CA ALA A 54 21.821 -2.324 -11.325 1.00 0.00 C ATOM 822 C ALA A 54 22.557 -1.534 -10.239 1.00 0.00 C ATOM 823 O ALA A 54 22.203 -1.668 -9.068 1.00 0.00 O ATOM 824 CB ALA A 54 22.431 -3.719 -11.501 1.00 0.00 C ATOM 0 H ALA A 54 22.300 -2.111 -13.348 1.00 0.00 H new ATOM 0 HA ALA A 54 20.788 -2.432 -10.995 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.429 -4.240 -10.544 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.843 -4.285 -12.224 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.456 -3.625 -11.861 1.00 0.00 H new ATOM 830 N ASP A 55 23.547 -0.705 -10.597 1.00 0.00 N ATOM 831 CA ASP A 55 24.295 0.068 -9.606 1.00 0.00 C ATOM 832 C ASP A 55 23.394 1.113 -8.952 1.00 0.00 C ATOM 833 O ASP A 55 23.348 1.209 -7.725 1.00 0.00 O ATOM 834 CB ASP A 55 25.502 0.770 -10.232 1.00 0.00 C ATOM 835 CG ASP A 55 26.427 1.308 -9.131 1.00 0.00 C ATOM 836 OD1 ASP A 55 27.109 0.496 -8.463 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.492 2.540 -8.945 1.00 0.00 O ATOM 0 H ASP A 55 23.845 -0.555 -11.561 1.00 0.00 H new ATOM 0 HA ASP A 55 24.653 -0.635 -8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 55 26.048 0.074 -10.869 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.167 1.589 -10.869 1.00 0.00 H new ATOM 842 N ILE A 56 22.630 1.857 -9.765 1.00 0.00 N ATOM 843 CA ILE A 56 21.667 2.826 -9.260 1.00 0.00 C ATOM 844 C ILE A 56 20.522 2.112 -8.551 1.00 0.00 C ATOM 845 O ILE A 56 20.121 2.600 -7.500 1.00 0.00 O ATOM 846 CB ILE A 56 21.135 3.834 -10.318 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.170 3.340 -11.786 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.796 5.203 -10.088 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.980 4.420 -12.854 1.00 0.00 C ATOM 0 H ILE A 56 22.667 1.799 -10.783 1.00 0.00 H new ATOM 0 HA ILE A 56 22.215 3.442 -8.547 1.00 0.00 H new ATOM 0 HB ILE A 56 20.062 3.938 -10.159 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.126 2.846 -11.961 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.393 2.586 -11.915 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.427 5.914 -10.827 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.553 5.561 -9.087 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.877 5.106 -10.186 1.00 0.00 H new ATOM 0 HD11 ILE A 56 21.022 3.965 -13.843 1.00 0.00 H new ATOM 0 HD12 ILE A 56 20.012 4.901 -12.717 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.771 5.164 -12.763 1.00 0.00 H new ATOM 861 N TYR A 57 20.012 0.974 -9.045 1.00 0.00 N ATOM 862 CA TYR A 57 18.955 0.285 -8.310 1.00 0.00 C ATOM 863 C TYR A 57 19.454 -0.099 -6.913 1.00 0.00 C ATOM 864 O TYR A 57 18.780 0.205 -5.935 1.00 0.00 O ATOM 865 CB TYR A 57 18.409 -0.944 -9.046 1.00 0.00 C ATOM 866 CG TYR A 57 17.394 -1.705 -8.200 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.257 -1.044 -7.688 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.637 -3.045 -7.840 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.381 -1.705 -6.807 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.757 -3.719 -6.974 1.00 0.00 C ATOM 871 CZ TYR A 57 15.630 -3.050 -6.443 1.00 0.00 C ATOM 872 OH TYR A 57 14.810 -3.711 -5.577 1.00 0.00 O ATOM 0 H TYR A 57 20.303 0.529 -9.916 1.00 0.00 H new ATOM 0 HA TYR A 57 18.122 0.982 -8.224 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.942 -0.631 -9.980 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.234 -1.607 -9.308 1.00 0.00 H new ATOM 0 HD1 TYR A 57 16.057 -0.022 -7.975 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.504 -3.558 -8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.521 -1.187 -6.409 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.943 -4.751 -6.714 1.00 0.00 H new ATOM 0 HH TYR A 57 14.041 -3.144 -5.357 1.00 0.00 H new ATOM 882 N ASP A 58 20.641 -0.702 -6.795 1.00 0.00 N ATOM 883 CA ASP A 58 21.172 -1.125 -5.501 1.00 0.00 C ATOM 884 C ASP A 58 21.382 0.070 -4.568 1.00 0.00 C ATOM 885 O ASP A 58 20.913 0.054 -3.428 1.00 0.00 O ATOM 886 CB ASP A 58 22.487 -1.889 -5.680 1.00 0.00 C ATOM 887 CG ASP A 58 23.075 -2.275 -4.313 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.566 -3.227 -3.681 1.00 0.00 O ATOM 889 OD2 ASP A 58 24.061 -1.643 -3.873 1.00 0.00 O ATOM 0 H ASP A 58 21.252 -0.908 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 58 20.437 -1.789 -5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.315 -2.786 -6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.200 -1.274 -6.229 1.00 0.00 H new ATOM 894 N LYS A 59 22.035 1.129 -5.061 1.00 0.00 N ATOM 895 CA LYS A 59 22.311 2.335 -4.283 1.00 0.00 C ATOM 896 C LYS A 59 21.015 2.990 -3.817 1.00 0.00 C ATOM 897 O LYS A 59 20.865 3.297 -2.634 1.00 0.00 O ATOM 898 CB LYS A 59 23.175 3.278 -5.135 1.00 0.00 C ATOM 899 CG LYS A 59 23.389 4.667 -4.507 1.00 0.00 C ATOM 900 CD LYS A 59 24.803 5.174 -4.816 1.00 0.00 C ATOM 901 CE LYS A 59 24.958 6.649 -4.426 1.00 0.00 C ATOM 902 NZ LYS A 59 26.279 7.194 -4.831 1.00 0.00 N ATOM 0 H LYS A 59 22.388 1.170 -6.017 1.00 0.00 H new ATOM 0 HA LYS A 59 22.863 2.082 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.146 2.813 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.707 3.400 -6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.650 5.368 -4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.241 4.614 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.534 4.573 -4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.012 5.052 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.166 7.233 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.837 6.754 -3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.556 7.954 -4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.991 6.436 -4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.216 7.574 -5.797 1.00 0.00 H new ATOM 916 N VAL A 60 20.082 3.214 -4.735 1.00 0.00 N ATOM 917 CA VAL A 60 18.889 3.994 -4.458 1.00 0.00 C ATOM 918 C VAL A 60 17.922 3.163 -3.619 1.00 0.00 C ATOM 919 O VAL A 60 17.360 3.701 -2.672 1.00 0.00 O ATOM 920 CB VAL A 60 18.282 4.519 -5.768 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.023 5.348 -5.474 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.295 5.401 -6.530 1.00 0.00 C ATOM 0 H VAL A 60 20.134 2.859 -5.690 1.00 0.00 H new ATOM 0 HA VAL A 60 19.136 4.877 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 60 18.023 3.658 -6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.602 5.715 -6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.288 4.725 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.285 6.194 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.842 5.761 -7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.576 6.251 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.183 4.814 -6.766 1.00 0.00 H new ATOM 932 N SER A 61 17.760 1.865 -3.894 1.00 0.00 N ATOM 933 CA SER A 61 16.963 0.994 -3.042 1.00 0.00 C ATOM 934 C SER A 61 17.553 1.000 -1.628 1.00 0.00 C ATOM 935 O SER A 61 16.796 1.104 -0.668 1.00 0.00 O ATOM 936 CB SER A 61 16.889 -0.414 -3.651 1.00 0.00 C ATOM 937 OG SER A 61 15.896 -1.200 -3.020 1.00 0.00 O ATOM 0 H SER A 61 18.173 1.399 -4.702 1.00 0.00 H new ATOM 0 HA SER A 61 15.938 1.359 -2.974 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.673 -0.340 -4.717 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.858 -0.904 -3.556 1.00 0.00 H new ATOM 0 HG SER A 61 15.873 -2.089 -3.431 1.00 0.00 H new ATOM 943 N GLY A 62 18.886 0.982 -1.483 1.00 0.00 N ATOM 944 CA GLY A 62 19.553 1.095 -0.193 1.00 0.00 C ATOM 945 C GLY A 62 19.175 2.386 0.535 1.00 0.00 C ATOM 946 O GLY A 62 18.757 2.332 1.690 1.00 0.00 O ATOM 0 H GLY A 62 19.530 0.888 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.290 0.238 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.633 1.064 -0.339 1.00 0.00 H new ATOM 950 N ASP A 63 19.271 3.540 -0.132 1.00 0.00 N ATOM 951 CA ASP A 63 18.916 4.837 0.448 1.00 0.00 C ATOM 952 C ASP A 63 17.434 4.892 0.819 1.00 0.00 C ATOM 953 O ASP A 63 17.104 5.275 1.938 1.00 0.00 O ATOM 954 CB ASP A 63 19.266 5.965 -0.532 1.00 0.00 C ATOM 955 CG ASP A 63 18.855 7.346 0.004 1.00 0.00 C ATOM 956 OD1 ASP A 63 19.509 7.854 0.941 1.00 0.00 O ATOM 957 OD2 ASP A 63 17.911 7.952 -0.544 1.00 0.00 O ATOM 0 H ASP A 63 19.599 3.600 -1.096 1.00 0.00 H new ATOM 0 HA ASP A 63 19.493 4.970 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.339 5.956 -0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.769 5.784 -1.485 1.00 0.00 H new ATOM 962 N MET A 64 16.533 4.443 -0.059 1.00 0.00 N ATOM 963 CA MET A 64 15.106 4.370 0.249 1.00 0.00 C ATOM 964 C MET A 64 14.827 3.442 1.434 1.00 0.00 C ATOM 965 O MET A 64 14.059 3.796 2.327 1.00 0.00 O ATOM 966 CB MET A 64 14.337 3.887 -0.984 1.00 0.00 C ATOM 967 CG MET A 64 14.350 4.866 -2.167 1.00 0.00 C ATOM 968 SD MET A 64 13.487 6.436 -1.880 1.00 0.00 S ATOM 969 CE MET A 64 14.891 7.505 -1.480 1.00 0.00 C ATOM 0 H MET A 64 16.772 4.122 -0.997 1.00 0.00 H new ATOM 0 HA MET A 64 14.771 5.370 0.526 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.759 2.937 -1.311 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.303 3.695 -0.699 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.386 5.082 -2.428 1.00 0.00 H new ATOM 0 HG3 MET A 64 13.900 4.375 -3.030 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.557 8.319 -0.837 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.655 6.924 -0.962 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.309 7.916 -2.399 1.00 0.00 H new ATOM 979 N GLN A 65 15.450 2.268 1.501 1.00 0.00 N ATOM 980 CA GLN A 65 15.286 1.345 2.613 1.00 0.00 C ATOM 981 C GLN A 65 15.857 1.933 3.909 1.00 0.00 C ATOM 982 O GLN A 65 15.306 1.692 4.982 1.00 0.00 O ATOM 983 CB GLN A 65 15.970 0.014 2.264 1.00 0.00 C ATOM 984 CG GLN A 65 15.189 -0.857 1.260 1.00 0.00 C ATOM 985 CD GLN A 65 14.713 -2.169 1.885 1.00 0.00 C ATOM 986 OE1 GLN A 65 15.413 -3.179 1.861 1.00 0.00 O ATOM 987 NE2 GLN A 65 13.529 -2.191 2.472 1.00 0.00 N ATOM 0 H GLN A 65 16.086 1.931 0.779 1.00 0.00 H new ATOM 0 HA GLN A 65 14.223 1.171 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 65 16.958 0.223 1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.120 -0.555 3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.329 -0.299 0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.822 -1.074 0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.952 -1.350 2.489 1.00 0.00 H new ATOM 0 HE22 GLN A 65 13.192 -3.049 2.908 1.00 0.00 H new ATOM 996 N LYS A 66 16.915 2.742 3.825 1.00 0.00 N ATOM 997 CA LYS A 66 17.442 3.515 4.947 1.00 0.00 C ATOM 998 C LYS A 66 16.417 4.555 5.403 1.00 0.00 C ATOM 999 O LYS A 66 16.257 4.729 6.611 1.00 0.00 O ATOM 1000 CB LYS A 66 18.822 4.068 4.543 1.00 0.00 C ATOM 1001 CG LYS A 66 19.479 5.119 5.451 1.00 0.00 C ATOM 1002 CD LYS A 66 19.008 6.574 5.264 1.00 0.00 C ATOM 1003 CE LYS A 66 19.265 7.042 3.829 1.00 0.00 C ATOM 1004 NZ LYS A 66 18.936 8.465 3.596 1.00 0.00 N ATOM 0 H LYS A 66 17.437 2.879 2.960 1.00 0.00 H new ATOM 0 HA LYS A 66 17.605 2.899 5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.507 3.224 4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.728 4.501 3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.303 4.833 6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.556 5.085 5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 66 17.945 6.650 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.532 7.225 5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 66 20.315 6.877 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.679 6.427 3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.087 8.697 2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.941 8.637 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.549 9.064 4.185 1.00 0.00 H new ATOM 1018 N GLN A 67 15.672 5.204 4.493 1.00 0.00 N ATOM 1019 CA GLN A 67 14.534 6.043 4.892 1.00 0.00 C ATOM 1020 C GLN A 67 13.527 5.169 5.649 1.00 0.00 C ATOM 1021 O GLN A 67 13.075 5.530 6.735 1.00 0.00 O ATOM 1022 CB GLN A 67 13.855 6.743 3.697 1.00 0.00 C ATOM 1023 CG GLN A 67 14.793 7.639 2.876 1.00 0.00 C ATOM 1024 CD GLN A 67 15.123 8.956 3.568 1.00 0.00 C ATOM 1025 OE1 GLN A 67 16.200 9.114 4.138 1.00 0.00 O ATOM 1026 NE2 GLN A 67 14.217 9.918 3.523 1.00 0.00 N ATOM 0 H GLN A 67 15.836 5.164 3.487 1.00 0.00 H new ATOM 0 HA GLN A 67 14.908 6.841 5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.429 5.984 3.040 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.026 7.347 4.067 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.719 7.099 2.677 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.332 7.849 1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.330 9.762 3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.405 10.816 3.968 1.00 0.00 H new ATOM 1035 N GLY A 68 13.232 3.993 5.096 1.00 0.00 N ATOM 1036 CA GLY A 68 12.410 2.929 5.676 1.00 0.00 C ATOM 1037 C GLY A 68 11.581 2.186 4.618 1.00 0.00 C ATOM 1038 O GLY A 68 10.901 1.214 4.941 1.00 0.00 O ATOM 0 H GLY A 68 13.583 3.741 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.054 2.218 6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.741 3.357 6.423 1.00 0.00 H new ATOM 1042 N CYS A 69 11.609 2.660 3.368 1.00 0.00 N ATOM 1043 CA CYS A 69 10.762 2.219 2.270 1.00 0.00 C ATOM 1044 C CYS A 69 11.118 0.808 1.799 1.00 0.00 C ATOM 1045 O CYS A 69 12.093 0.204 2.240 1.00 0.00 O ATOM 1046 CB CYS A 69 10.940 3.217 1.118 1.00 0.00 C ATOM 1047 SG CYS A 69 10.240 4.822 1.584 1.00 0.00 S ATOM 0 H CYS A 69 12.256 3.397 3.088 1.00 0.00 H new ATOM 0 HA CYS A 69 9.726 2.185 2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 69 11.998 3.327 0.880 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.448 2.842 0.220 1.00 0.00 H new ATOM 0 HG CYS A 69 8.956 4.811 1.382 1.00 0.00 H new ATOM 1053 N ASP A 70 10.346 0.316 0.837 1.00 0.00 N ATOM 1054 CA ASP A 70 10.612 -0.896 0.071 1.00 0.00 C ATOM 1055 C ASP A 70 10.460 -0.472 -1.386 1.00 0.00 C ATOM 1056 O ASP A 70 9.602 0.373 -1.681 1.00 0.00 O ATOM 1057 CB ASP A 70 9.642 -2.016 0.455 1.00 0.00 C ATOM 1058 CG ASP A 70 9.846 -3.251 -0.438 1.00 0.00 C ATOM 1059 OD1 ASP A 70 10.986 -3.758 -0.522 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.862 -3.732 -1.041 1.00 0.00 O ATOM 0 H ASP A 70 9.478 0.772 0.557 1.00 0.00 H new ATOM 0 HA ASP A 70 11.604 -1.305 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.791 -2.289 1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.616 -1.661 0.362 1.00 0.00 H new ATOM 1065 N CYS A 71 11.297 -1.005 -2.278 1.00 0.00 N ATOM 1066 CA CYS A 71 11.418 -0.515 -3.645 1.00 0.00 C ATOM 1067 C CYS A 71 11.643 -1.623 -4.667 1.00 0.00 C ATOM 1068 O CYS A 71 12.050 -2.734 -4.321 1.00 0.00 O ATOM 1069 CB CYS A 71 12.622 0.433 -3.721 1.00 0.00 C ATOM 1070 SG CYS A 71 12.327 1.928 -2.754 1.00 0.00 S ATOM 0 H CYS A 71 11.911 -1.792 -2.068 1.00 0.00 H new ATOM 0 HA CYS A 71 10.477 -0.021 -3.887 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.513 -0.074 -3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.815 0.699 -4.760 1.00 0.00 H new ATOM 0 HG CYS A 71 12.742 1.746 -1.536 1.00 0.00 H new ATOM 1076 N GLU A 72 11.453 -1.279 -5.943 1.00 0.00 N ATOM 1077 CA GLU A 72 11.646 -2.170 -7.075 1.00 0.00 C ATOM 1078 C GLU A 72 11.948 -1.306 -8.299 1.00 0.00 C ATOM 1079 O GLU A 72 11.233 -0.336 -8.550 1.00 0.00 O ATOM 1080 CB GLU A 72 10.358 -2.991 -7.268 1.00 0.00 C ATOM 1081 CG GLU A 72 10.407 -3.840 -8.540 1.00 0.00 C ATOM 1082 CD GLU A 72 9.250 -4.853 -8.596 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.133 -4.493 -9.032 1.00 0.00 O ATOM 1084 OE2 GLU A 72 9.451 -6.032 -8.222 1.00 0.00 O ATOM 0 H GLU A 72 11.152 -0.344 -6.218 1.00 0.00 H new ATOM 0 HA GLU A 72 12.474 -2.862 -6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.208 -3.639 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.502 -2.318 -7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.363 -3.189 -9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.358 -4.371 -8.586 1.00 0.00 H new ATOM 1091 N CYS A 73 13.002 -1.628 -9.051 1.00 0.00 N ATOM 1092 CA CYS A 73 13.257 -1.025 -10.352 1.00 0.00 C ATOM 1093 C CYS A 73 12.146 -1.507 -11.296 1.00 0.00 C ATOM 1094 O CYS A 73 12.058 -2.696 -11.609 1.00 0.00 O ATOM 1095 CB CYS A 73 14.663 -1.389 -10.864 1.00 0.00 C ATOM 1096 SG CYS A 73 15.092 -3.117 -10.486 1.00 0.00 S ATOM 0 H CYS A 73 13.701 -2.316 -8.771 1.00 0.00 H new ATOM 0 HA CYS A 73 13.241 0.063 -10.291 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.710 -1.230 -11.941 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.398 -0.724 -10.411 1.00 0.00 H new ATOM 0 HG CYS A 73 15.760 -3.625 -11.479 1.00 0.00 H new ATOM 1102 N LEU A 74 11.273 -0.597 -11.736 1.00 0.00 N ATOM 1103 CA LEU A 74 10.234 -0.907 -12.715 1.00 0.00 C ATOM 1104 C LEU A 74 10.865 -1.222 -14.075 1.00 0.00 C ATOM 1105 O LEU A 74 10.305 -1.990 -14.855 1.00 0.00 O ATOM 1106 CB LEU A 74 9.252 0.270 -12.846 1.00 0.00 C ATOM 1107 CG LEU A 74 8.434 0.591 -11.578 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.433 1.704 -11.898 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.672 -0.622 -11.029 1.00 0.00 C ATOM 0 H LEU A 74 11.268 0.374 -11.423 1.00 0.00 H new ATOM 0 HA LEU A 74 9.684 -1.783 -12.371 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.813 1.160 -13.131 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.560 0.055 -13.660 1.00 0.00 H new ATOM 0 HG LEU A 74 9.142 0.901 -10.810 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.851 1.937 -11.007 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.971 2.595 -12.223 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.764 1.374 -12.693 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.117 -0.330 -10.138 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.978 -0.988 -11.785 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.379 -1.411 -10.774 1.00 0.00 H new ATOM 1121 N GLY A 75 12.034 -0.642 -14.349 1.00 0.00 N ATOM 1122 CA GLY A 75 12.843 -0.872 -15.530 1.00 0.00 C ATOM 1123 C GLY A 75 13.947 0.177 -15.557 1.00 0.00 C ATOM 1124 O GLY A 75 14.119 0.934 -14.594 1.00 0.00 O ATOM 0 H GLY A 75 12.458 0.035 -13.715 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.271 -1.874 -15.510 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.231 -0.805 -16.430 1.00 0.00 H new ATOM 1128 N GLY A 76 14.666 0.266 -16.670 1.00 0.00 N ATOM 1129 CA GLY A 76 15.666 1.298 -16.879 1.00 0.00 C ATOM 1130 C GLY A 76 15.877 1.539 -18.365 1.00 0.00 C ATOM 1131 O GLY A 76 15.177 0.971 -19.205 1.00 0.00 O ATOM 0 H GLY A 76 14.569 -0.380 -17.454 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.350 2.222 -16.396 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.607 1.001 -16.415 1.00 0.00 H new ATOM 1135 N GLY A 77 16.843 2.393 -18.675 1.00 0.00 N ATOM 1136 CA GLY A 77 17.142 2.867 -20.016 1.00 0.00 C ATOM 1137 C GLY A 77 18.313 3.831 -19.907 1.00 0.00 C ATOM 1138 O GLY A 77 19.028 3.822 -18.898 1.00 0.00 O ATOM 0 H GLY A 77 17.464 2.789 -17.969 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.392 2.032 -20.671 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.274 3.364 -20.450 1.00 0.00 H new ATOM 1142 N ARG A 78 18.515 4.695 -20.897 1.00 0.00 N ATOM 1143 CA ARG A 78 19.575 5.692 -20.831 1.00 0.00 C ATOM 1144 C ARG A 78 19.065 7.043 -21.293 1.00 0.00 C ATOM 1145 O ARG A 78 18.007 7.157 -21.920 1.00 0.00 O ATOM 1146 CB ARG A 78 20.835 5.195 -21.566 1.00 0.00 C ATOM 1147 CG ARG A 78 20.674 5.052 -23.084 1.00 0.00 C ATOM 1148 CD ARG A 78 21.951 4.445 -23.678 1.00 0.00 C ATOM 1149 NE ARG A 78 21.871 4.371 -25.142 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.144 5.350 -26.008 1.00 0.00 C ATOM 1151 NH1 ARG A 78 22.647 6.518 -25.615 1.00 0.00 N ATOM 1152 NH2 ARG A 78 21.873 5.138 -27.283 1.00 0.00 N ATOM 0 H ARG A 78 17.960 4.724 -21.752 1.00 0.00 H new ATOM 0 HA ARG A 78 19.884 5.837 -19.796 1.00 0.00 H new ATOM 0 HB2 ARG A 78 21.654 5.886 -21.364 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.124 4.229 -21.152 1.00 0.00 H new ATOM 0 HG2 ARG A 78 19.817 4.418 -23.312 1.00 0.00 H new ATOM 0 HG3 ARG A 78 20.478 6.026 -23.533 1.00 0.00 H new ATOM 0 HD2 ARG A 78 22.812 5.047 -23.388 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.107 3.447 -23.269 1.00 0.00 H new ATOM 0 HE ARG A 78 21.576 3.479 -25.539 1.00 0.00 H new ATOM 0 HH11 ARG A 78 22.835 6.686 -24.627 1.00 0.00 H new ATOM 0 HH12 ARG A 78 22.844 7.245 -26.302 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.469 4.249 -27.577 1.00 0.00 H new ATOM 0 HH22 ARG A 78 22.068 5.863 -27.973 1.00 0.00 H new ATOM 1166 N ILE A 79 19.833 8.060 -20.939 1.00 0.00 N ATOM 1167 CA ILE A 79 19.506 9.463 -21.052 1.00 0.00 C ATOM 1168 C ILE A 79 20.634 10.060 -21.884 1.00 0.00 C ATOM 1169 O ILE A 79 21.806 9.736 -21.670 1.00 0.00 O ATOM 1170 CB ILE A 79 19.367 10.047 -19.626 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.043 9.531 -19.011 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.374 11.587 -19.666 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.715 10.028 -17.598 1.00 0.00 C ATOM 0 H ILE A 79 20.760 7.913 -20.540 1.00 0.00 H new ATOM 0 HA ILE A 79 18.558 9.681 -21.543 1.00 0.00 H new ATOM 0 HB ILE A 79 20.211 9.726 -19.015 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.224 9.814 -19.673 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.075 8.442 -18.992 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.275 11.978 -18.653 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.311 11.935 -20.100 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.540 11.939 -20.274 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.766 9.601 -17.273 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.505 9.722 -16.912 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.641 11.115 -17.603 1.00 0.00 H new ATOM 1185 N SER A 80 20.281 10.896 -22.858 1.00 0.00 N ATOM 1186 CA SER A 80 21.204 11.371 -23.872 1.00 0.00 C ATOM 1187 C SER A 80 20.729 12.700 -24.460 1.00 0.00 C ATOM 1188 O SER A 80 19.597 13.126 -24.230 1.00 0.00 O ATOM 1189 CB SER A 80 21.296 10.292 -24.962 1.00 0.00 C ATOM 1190 OG SER A 80 22.334 10.602 -25.866 1.00 0.00 O ATOM 0 H SER A 80 19.335 11.263 -22.962 1.00 0.00 H new ATOM 0 HA SER A 80 22.186 11.549 -23.434 1.00 0.00 H new ATOM 0 HB2 SER A 80 21.479 9.319 -24.506 1.00 0.00 H new ATOM 0 HB3 SER A 80 20.348 10.221 -25.495 1.00 0.00 H new ATOM 0 HG SER A 80 22.626 9.785 -26.322 1.00 0.00 H new ATOM 1196 N HIS A 81 21.606 13.337 -25.238 1.00 0.00 N ATOM 1197 CA HIS A 81 21.311 14.492 -26.080 1.00 0.00 C ATOM 1198 C HIS A 81 21.718 14.179 -27.532 1.00 0.00 C ATOM 1199 O HIS A 81 21.979 15.083 -28.328 1.00 0.00 O ATOM 1200 CB HIS A 81 21.950 15.768 -25.509 1.00 0.00 C ATOM 1201 CG HIS A 81 23.459 15.763 -25.496 1.00 0.00 C ATOM 1202 ND1 HIS A 81 24.288 15.759 -26.595 1.00 0.00 N ATOM 1203 CD2 HIS A 81 24.261 15.797 -24.389 1.00 0.00 C ATOM 1204 CE1 HIS A 81 25.560 15.773 -26.161 1.00 0.00 C ATOM 1205 NE2 HIS A 81 25.596 15.799 -24.815 1.00 0.00 N ATOM 0 H HIS A 81 22.582 13.048 -25.299 1.00 0.00 H new ATOM 0 HA HIS A 81 20.239 14.692 -26.087 1.00 0.00 H new ATOM 0 HB2 HIS A 81 21.608 16.623 -26.093 1.00 0.00 H new ATOM 0 HB3 HIS A 81 21.591 15.914 -24.490 1.00 0.00 H new ATOM 0 HD1 HIS A 81 23.989 15.747 -27.570 1.00 0.00 H new ATOM 0 HD2 HIS A 81 23.924 15.819 -23.363 1.00 0.00 H new ATOM 0 HE1 HIS A 81 26.430 15.765 -26.801 1.00 0.00 H new ATOM 1213 N GLN A 82 21.765 12.888 -27.905 1.00 0.00 N ATOM 1214 CA GLN A 82 21.927 12.420 -29.290 1.00 0.00 C ATOM 1215 C GLN A 82 20.776 12.870 -30.215 1.00 0.00 C ATOM 1216 O GLN A 82 20.771 12.556 -31.404 1.00 0.00 O ATOM 1217 CB GLN A 82 22.123 10.893 -29.303 1.00 0.00 C ATOM 1218 CG GLN A 82 23.536 10.495 -28.846 1.00 0.00 C ATOM 1219 CD GLN A 82 23.631 9.002 -28.536 1.00 0.00 C ATOM 1220 OE1 GLN A 82 23.227 8.550 -27.465 1.00 0.00 O ATOM 1221 NE2 GLN A 82 24.162 8.200 -29.446 1.00 0.00 N ATOM 0 H GLN A 82 21.689 12.124 -27.234 1.00 0.00 H new ATOM 0 HA GLN A 82 22.821 12.889 -29.700 1.00 0.00 H new ATOM 0 HB2 GLN A 82 21.385 10.426 -28.651 1.00 0.00 H new ATOM 0 HB3 GLN A 82 21.946 10.512 -30.309 1.00 0.00 H new ATOM 0 HG2 GLN A 82 24.256 10.752 -29.624 1.00 0.00 H new ATOM 0 HG3 GLN A 82 23.807 11.069 -27.959 1.00 0.00 H new ATOM 0 HE21 GLN A 82 24.494 8.583 -30.331 1.00 0.00 H new ATOM 0 HE22 GLN A 82 24.239 7.200 -29.262 1.00 0.00 H new ATOM 1230 N SER A 83 19.829 13.644 -29.684 1.00 0.00 N ATOM 1231 CA SER A 83 18.772 14.375 -30.361 1.00 0.00 C ATOM 1232 C SER A 83 19.298 15.326 -31.455 1.00 0.00 C ATOM 1233 O SER A 83 18.503 15.831 -32.249 1.00 0.00 O ATOM 1234 CB SER A 83 18.069 15.217 -29.281 1.00 0.00 C ATOM 1235 OG SER A 83 18.018 14.562 -28.021 1.00 0.00 O ATOM 0 H SER A 83 19.784 13.784 -28.675 1.00 0.00 H new ATOM 0 HA SER A 83 18.112 13.662 -30.855 1.00 0.00 H new ATOM 0 HB2 SER A 83 18.591 16.168 -29.171 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.055 15.446 -29.608 1.00 0.00 H new ATOM 0 HG SER A 83 17.828 15.218 -27.319 1.00 0.00 H new ATOM 1241 N GLN A 84 20.615 15.595 -31.484 1.00 0.00 N ATOM 1242 CA GLN A 84 21.267 16.623 -32.301 1.00 0.00 C ATOM 1243 C GLN A 84 20.703 18.018 -31.969 1.00 0.00 C ATOM 1244 O GLN A 84 20.637 18.907 -32.819 1.00 0.00 O ATOM 1245 CB GLN A 84 21.250 16.258 -33.800 1.00 0.00 C ATOM 1246 CG GLN A 84 21.880 14.886 -34.090 1.00 0.00 C ATOM 1247 CD GLN A 84 21.923 14.600 -35.591 1.00 0.00 C ATOM 1248 OE1 GLN A 84 22.902 14.900 -36.273 1.00 0.00 O ATOM 1249 NE2 GLN A 84 20.870 14.024 -36.149 1.00 0.00 N ATOM 0 H GLN A 84 21.280 15.076 -30.911 1.00 0.00 H new ATOM 0 HA GLN A 84 22.326 16.665 -32.045 1.00 0.00 H new ATOM 0 HB2 GLN A 84 20.220 16.262 -34.158 1.00 0.00 H new ATOM 0 HB3 GLN A 84 21.786 17.024 -34.361 1.00 0.00 H new ATOM 0 HG2 GLN A 84 22.890 14.854 -33.683 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.308 14.107 -33.586 1.00 0.00 H new ATOM 0 HE21 GLN A 84 20.061 13.778 -35.578 1.00 0.00 H new ATOM 0 HE22 GLN A 84 20.867 13.826 -37.150 1.00 0.00 H new ATOM 1258 N ASP A 85 20.282 18.195 -30.714 1.00 0.00 N ATOM 1259 CA ASP A 85 19.757 19.416 -30.114 1.00 0.00 C ATOM 1260 C ASP A 85 19.954 19.268 -28.599 1.00 0.00 C ATOM 1261 O ASP A 85 20.088 18.141 -28.111 1.00 0.00 O ATOM 1262 CB ASP A 85 18.265 19.565 -30.454 1.00 0.00 C ATOM 1263 CG ASP A 85 17.692 20.864 -29.876 1.00 0.00 C ATOM 1264 OD1 ASP A 85 17.784 21.917 -30.544 1.00 0.00 O ATOM 1265 OD2 ASP A 85 17.171 20.831 -28.742 1.00 0.00 O ATOM 0 H ASP A 85 20.303 17.427 -30.043 1.00 0.00 H new ATOM 0 HA ASP A 85 20.268 20.303 -30.490 1.00 0.00 H new ATOM 0 HB2 ASP A 85 18.133 19.556 -31.536 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.712 18.713 -30.058 1.00 0.00 H new ATOM 1270 N LYS A 86 19.981 20.369 -27.839 1.00 0.00 N ATOM 1271 CA LYS A 86 20.135 20.311 -26.384 1.00 0.00 C ATOM 1272 C LYS A 86 18.996 19.536 -25.704 1.00 0.00 C ATOM 1273 O LYS A 86 19.214 19.015 -24.609 1.00 0.00 O ATOM 1274 CB LYS A 86 20.282 21.744 -25.824 1.00 0.00 C ATOM 1275 CG LYS A 86 20.423 21.848 -24.293 1.00 0.00 C ATOM 1276 CD LYS A 86 21.636 21.103 -23.704 1.00 0.00 C ATOM 1277 CE LYS A 86 21.480 20.860 -22.194 1.00 0.00 C ATOM 1278 NZ LYS A 86 21.505 22.100 -21.383 1.00 0.00 N ATOM 0 H LYS A 86 19.898 21.315 -28.212 1.00 0.00 H new ATOM 0 HA LYS A 86 21.043 19.752 -26.156 1.00 0.00 H new ATOM 0 HB2 LYS A 86 21.155 22.207 -26.284 1.00 0.00 H new ATOM 0 HB3 LYS A 86 19.413 22.326 -26.132 1.00 0.00 H new ATOM 0 HG2 LYS A 86 20.493 22.901 -24.019 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.516 21.458 -23.831 1.00 0.00 H new ATOM 0 HD2 LYS A 86 21.759 20.148 -24.215 1.00 0.00 H new ATOM 0 HD3 LYS A 86 22.542 21.681 -23.887 1.00 0.00 H new ATOM 0 HE2 LYS A 86 20.540 20.339 -22.015 1.00 0.00 H new ATOM 0 HE3 LYS A 86 22.280 20.200 -21.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 21.446 21.856 -20.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 22.390 22.615 -21.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 20.696 22.700 -21.642 1.00 0.00 H new ATOM 1292 N LYS A 87 17.800 19.454 -26.302 1.00 0.00 N ATOM 1293 CA LYS A 87 16.664 18.744 -25.716 1.00 0.00 C ATOM 1294 C LYS A 87 17.067 17.311 -25.380 1.00 0.00 C ATOM 1295 O LYS A 87 17.482 16.553 -26.262 1.00 0.00 O ATOM 1296 CB LYS A 87 15.439 18.835 -26.637 1.00 0.00 C ATOM 1297 CG LYS A 87 14.142 18.542 -25.865 1.00 0.00 C ATOM 1298 CD LYS A 87 12.871 18.797 -26.689 1.00 0.00 C ATOM 1299 CE LYS A 87 12.810 20.221 -27.267 1.00 0.00 C ATOM 1300 NZ LYS A 87 11.437 20.607 -27.668 1.00 0.00 N ATOM 0 H LYS A 87 17.597 19.880 -27.206 1.00 0.00 H new ATOM 0 HA LYS A 87 16.372 19.217 -24.779 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.386 19.830 -27.079 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.545 18.127 -27.459 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.151 17.503 -25.536 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.114 19.160 -24.968 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.822 18.076 -27.505 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.996 18.627 -26.061 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.182 20.928 -26.525 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.471 20.289 -28.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.482 21.387 -28.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.960 19.791 -28.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.904 20.914 -26.829 1.00 0.00 H new ATOM 1314 N ILE A 88 16.983 16.968 -24.097 1.00 0.00 N ATOM 1315 CA ILE A 88 17.378 15.666 -23.582 1.00 0.00 C ATOM 1316 C ILE A 88 16.401 14.624 -24.148 1.00 0.00 C ATOM 1317 O ILE A 88 15.277 14.953 -24.535 1.00 0.00 O ATOM 1318 CB ILE A 88 17.420 15.735 -22.032 1.00 0.00 C ATOM 1319 CG1 ILE A 88 18.309 16.885 -21.492 1.00 0.00 C ATOM 1320 CG2 ILE A 88 17.869 14.413 -21.384 1.00 0.00 C ATOM 1321 CD1 ILE A 88 19.788 16.825 -21.904 1.00 0.00 C ATOM 0 H ILE A 88 16.632 17.600 -23.377 1.00 0.00 H new ATOM 0 HA ILE A 88 18.379 15.369 -23.896 1.00 0.00 H new ATOM 0 HB ILE A 88 16.386 15.934 -21.749 1.00 0.00 H new ATOM 0 HG12 ILE A 88 17.893 17.833 -21.832 1.00 0.00 H new ATOM 0 HG13 ILE A 88 18.252 16.884 -20.403 1.00 0.00 H new ATOM 0 HG21 ILE A 88 17.878 14.524 -20.300 1.00 0.00 H new ATOM 0 HG22 ILE A 88 17.177 13.618 -21.661 1.00 0.00 H new ATOM 0 HG23 ILE A 88 18.871 14.159 -21.731 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.320 17.674 -21.474 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.230 15.898 -21.540 1.00 0.00 H new ATOM 0 HD13 ILE A 88 19.865 16.861 -22.991 1.00 0.00 H new ATOM 1333 N HIS A 89 16.799 13.358 -24.162 1.00 0.00 N ATOM 1334 CA HIS A 89 15.977 12.249 -24.605 1.00 0.00 C ATOM 1335 C HIS A 89 16.181 11.078 -23.646 1.00 0.00 C ATOM 1336 O HIS A 89 17.277 10.917 -23.099 1.00 0.00 O ATOM 1337 CB HIS A 89 16.358 11.888 -26.045 1.00 0.00 C ATOM 1338 CG HIS A 89 15.282 11.110 -26.753 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.094 11.625 -27.220 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.307 9.784 -27.082 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.421 10.635 -27.824 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.118 9.485 -27.760 1.00 0.00 N ATOM 0 H HIS A 89 17.729 13.071 -23.856 1.00 0.00 H new ATOM 0 HA HIS A 89 14.920 12.513 -24.598 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.566 12.802 -26.601 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.278 11.303 -26.037 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.103 9.089 -26.859 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.456 10.745 -28.296 1.00 0.00 H new ATOM 0 HE2 HIS A 89 13.837 8.577 -28.131 1.00 0.00 H new ATOM 1350 N VAL A 90 15.148 10.255 -23.461 1.00 0.00 N ATOM 1351 CA VAL A 90 15.138 9.104 -22.564 1.00 0.00 C ATOM 1352 C VAL A 90 14.615 7.926 -23.386 1.00 0.00 C ATOM 1353 O VAL A 90 13.501 7.986 -23.910 1.00 0.00 O ATOM 1354 CB VAL A 90 14.248 9.374 -21.327 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.478 8.289 -20.266 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.474 10.756 -20.693 1.00 0.00 C ATOM 0 H VAL A 90 14.262 10.379 -23.952 1.00 0.00 H new ATOM 0 HA VAL A 90 16.135 8.893 -22.177 1.00 0.00 H new ATOM 0 HB VAL A 90 13.219 9.353 -21.686 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.847 8.488 -19.400 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.226 7.314 -20.682 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.525 8.294 -19.962 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.816 10.873 -19.832 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.512 10.843 -20.371 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.255 11.533 -21.426 1.00 0.00 H new ATOM 1366 N TYR A 91 15.426 6.886 -23.568 1.00 0.00 N ATOM 1367 CA TYR A 91 15.103 5.769 -24.452 1.00 0.00 C ATOM 1368 C TYR A 91 15.973 4.551 -24.125 1.00 0.00 C ATOM 1369 O TYR A 91 16.678 4.541 -23.110 1.00 0.00 O ATOM 1370 CB TYR A 91 15.227 6.205 -25.928 1.00 0.00 C ATOM 1371 CG TYR A 91 16.607 6.445 -26.527 1.00 0.00 C ATOM 1372 CD1 TYR A 91 17.765 6.635 -25.741 1.00 0.00 C ATOM 1373 CD2 TYR A 91 16.711 6.521 -27.929 1.00 0.00 C ATOM 1374 CE1 TYR A 91 18.999 6.912 -26.347 1.00 0.00 C ATOM 1375 CE2 TYR A 91 17.940 6.811 -28.544 1.00 0.00 C ATOM 1376 CZ TYR A 91 19.093 7.021 -27.754 1.00 0.00 C ATOM 1377 OH TYR A 91 20.285 7.331 -28.343 1.00 0.00 O ATOM 0 H TYR A 91 16.330 6.794 -23.104 1.00 0.00 H new ATOM 0 HA TYR A 91 14.068 5.469 -24.289 1.00 0.00 H new ATOM 0 HB2 TYR A 91 14.735 5.445 -26.535 1.00 0.00 H new ATOM 0 HB3 TYR A 91 14.656 7.126 -26.045 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.700 6.566 -24.665 1.00 0.00 H new ATOM 0 HD2 TYR A 91 15.835 6.354 -28.539 1.00 0.00 H new ATOM 0 HE1 TYR A 91 19.881 7.043 -25.737 1.00 0.00 H new ATOM 0 HE2 TYR A 91 18.004 6.874 -29.620 1.00 0.00 H new ATOM 0 HH TYR A 91 20.170 7.364 -29.316 1.00 0.00 H new ATOM 1387 N GLY A 92 15.958 3.539 -24.991 1.00 0.00 N ATOM 1388 CA GLY A 92 16.676 2.299 -24.771 1.00 0.00 C ATOM 1389 C GLY A 92 15.957 1.449 -23.728 1.00 0.00 C ATOM 1390 O GLY A 92 14.769 1.637 -23.452 1.00 0.00 O ATOM 0 H GLY A 92 15.441 3.564 -25.870 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.757 1.747 -25.707 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.692 2.513 -24.438 1.00 0.00 H new ATOM 1394 N TYR A 93 16.684 0.487 -23.166 1.00 0.00 N ATOM 1395 CA TYR A 93 16.184 -0.438 -22.158 1.00 0.00 C ATOM 1396 C TYR A 93 17.353 -0.892 -21.289 1.00 0.00 C ATOM 1397 O TYR A 93 18.493 -0.926 -21.763 1.00 0.00 O ATOM 1398 CB TYR A 93 15.507 -1.647 -22.828 1.00 0.00 C ATOM 1399 CG TYR A 93 16.354 -2.425 -23.823 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.394 -2.030 -25.175 1.00 0.00 C ATOM 1401 CD2 TYR A 93 17.080 -3.558 -23.406 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.162 -2.754 -26.103 1.00 0.00 C ATOM 1403 CE2 TYR A 93 17.854 -4.285 -24.327 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.899 -3.886 -25.683 1.00 0.00 C ATOM 1405 OH TYR A 93 18.638 -4.583 -26.592 1.00 0.00 O ATOM 0 H TYR A 93 17.662 0.327 -23.407 1.00 0.00 H new ATOM 0 HA TYR A 93 15.439 0.060 -21.538 1.00 0.00 H new ATOM 0 HB2 TYR A 93 15.180 -2.333 -22.047 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.611 -1.297 -23.341 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.832 -1.167 -25.500 1.00 0.00 H new ATOM 0 HD2 TYR A 93 17.042 -3.870 -22.373 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.190 -2.446 -27.138 1.00 0.00 H new ATOM 0 HE2 TYR A 93 18.414 -5.148 -23.999 1.00 0.00 H new ATOM 0 HH TYR A 93 18.571 -4.150 -27.469 1.00 0.00 H new ATOM 1415 N SER A 94 17.084 -1.253 -20.032 1.00 0.00 N ATOM 1416 CA SER A 94 18.093 -1.901 -19.210 1.00 0.00 C ATOM 1417 C SER A 94 18.178 -3.367 -19.631 1.00 0.00 C ATOM 1418 O SER A 94 17.146 -4.014 -19.825 1.00 0.00 O ATOM 1419 CB SER A 94 17.788 -1.726 -17.715 1.00 0.00 C ATOM 1420 OG SER A 94 16.620 -2.398 -17.287 1.00 0.00 O ATOM 0 H SER A 94 16.186 -1.107 -19.571 1.00 0.00 H new ATOM 0 HA SER A 94 19.067 -1.436 -19.364 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.637 -2.089 -17.136 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.684 -0.663 -17.497 1.00 0.00 H new ATOM 0 HG SER A 94 15.876 -2.173 -17.883 1.00 0.00 H new ATOM 1426 N MET A 95 19.387 -3.919 -19.747 1.00 0.00 N ATOM 1427 CA MET A 95 19.543 -5.357 -19.953 1.00 0.00 C ATOM 1428 C MET A 95 19.034 -6.120 -18.718 1.00 0.00 C ATOM 1429 O MET A 95 18.465 -7.204 -18.846 1.00 0.00 O ATOM 1430 CB MET A 95 21.019 -5.672 -20.257 1.00 0.00 C ATOM 1431 CG MET A 95 21.255 -7.130 -20.671 1.00 0.00 C ATOM 1432 SD MET A 95 20.404 -7.644 -22.191 1.00 0.00 S ATOM 1433 CE MET A 95 20.947 -9.373 -22.270 1.00 0.00 C ATOM 0 H MET A 95 20.263 -3.398 -19.702 1.00 0.00 H new ATOM 0 HA MET A 95 18.947 -5.681 -20.806 1.00 0.00 H new ATOM 0 HB2 MET A 95 21.367 -5.014 -21.054 1.00 0.00 H new ATOM 0 HB3 MET A 95 21.620 -5.450 -19.375 1.00 0.00 H new ATOM 0 HG2 MET A 95 22.326 -7.286 -20.802 1.00 0.00 H new ATOM 0 HG3 MET A 95 20.935 -7.780 -19.856 1.00 0.00 H new ATOM 0 HE1 MET A 95 20.516 -9.850 -23.150 1.00 0.00 H new ATOM 0 HE2 MET A 95 22.035 -9.410 -22.333 1.00 0.00 H new ATOM 0 HE3 MET A 95 20.617 -9.899 -21.374 1.00 0.00 H new ATOM 1443 N ALA A 96 19.227 -5.544 -17.522 1.00 0.00 N ATOM 1444 CA ALA A 96 18.912 -6.194 -16.257 1.00 0.00 C ATOM 1445 C ALA A 96 17.406 -6.272 -15.979 1.00 0.00 C ATOM 1446 O ALA A 96 16.958 -7.295 -15.456 1.00 0.00 O ATOM 1447 CB ALA A 96 19.612 -5.439 -15.120 1.00 0.00 C ATOM 0 H ALA A 96 19.610 -4.605 -17.413 1.00 0.00 H new ATOM 0 HA ALA A 96 19.270 -7.222 -16.320 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.382 -5.919 -14.169 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.690 -5.454 -15.283 1.00 0.00 H new ATOM 0 HB3 ALA A 96 19.263 -4.407 -15.100 1.00 0.00 H new ATOM 1453 N TYR A 97 16.625 -5.238 -16.328 1.00 0.00 N ATOM 1454 CA TYR A 97 15.225 -5.115 -15.903 1.00 0.00 C ATOM 1455 C TYR A 97 14.270 -4.725 -17.039 1.00 0.00 C ATOM 1456 O TYR A 97 13.075 -4.544 -16.793 1.00 0.00 O ATOM 1457 CB TYR A 97 15.138 -4.107 -14.739 1.00 0.00 C ATOM 1458 CG TYR A 97 16.152 -4.320 -13.626 1.00 0.00 C ATOM 1459 CD1 TYR A 97 16.122 -5.504 -12.863 1.00 0.00 C ATOM 1460 CD2 TYR A 97 17.143 -3.350 -13.374 1.00 0.00 C ATOM 1461 CE1 TYR A 97 17.086 -5.727 -11.865 1.00 0.00 C ATOM 1462 CE2 TYR A 97 18.104 -3.561 -12.369 1.00 0.00 C ATOM 1463 CZ TYR A 97 18.084 -4.760 -11.613 1.00 0.00 C ATOM 1464 OH TYR A 97 19.014 -5.000 -10.647 1.00 0.00 O ATOM 0 H TYR A 97 16.947 -4.466 -16.912 1.00 0.00 H new ATOM 0 HA TYR A 97 14.896 -6.101 -15.574 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.266 -3.101 -15.139 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.137 -4.155 -14.311 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.356 -6.243 -13.046 1.00 0.00 H new ATOM 0 HD2 TYR A 97 17.165 -2.440 -13.956 1.00 0.00 H new ATOM 0 HE1 TYR A 97 17.064 -6.640 -11.289 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.856 -2.811 -12.174 1.00 0.00 H new ATOM 0 HH TYR A 97 19.633 -4.242 -10.593 1.00 0.00 H new ATOM 1474 N GLY A 98 14.755 -4.618 -18.280 1.00 0.00 N ATOM 1475 CA GLY A 98 13.946 -4.233 -19.428 1.00 0.00 C ATOM 1476 C GLY A 98 13.732 -2.717 -19.489 1.00 0.00 C ATOM 1477 O GLY A 98 14.333 -1.967 -18.707 1.00 0.00 O ATOM 0 H GLY A 98 15.731 -4.799 -18.512 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.432 -4.569 -20.344 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.980 -4.735 -19.377 1.00 0.00 H new ATOM 1481 N PRO A 99 12.921 -2.238 -20.446 1.00 0.00 N ATOM 1482 CA PRO A 99 12.621 -0.823 -20.581 1.00 0.00 C ATOM 1483 C PRO A 99 11.752 -0.342 -19.419 1.00 0.00 C ATOM 1484 O PRO A 99 10.809 -1.022 -19.003 1.00 0.00 O ATOM 1485 CB PRO A 99 11.888 -0.676 -21.920 1.00 0.00 C ATOM 1486 CG PRO A 99 11.254 -2.049 -22.143 1.00 0.00 C ATOM 1487 CD PRO A 99 12.229 -3.014 -21.467 1.00 0.00 C ATOM 0 HA PRO A 99 13.526 -0.216 -20.559 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.134 0.110 -21.879 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.575 -0.417 -22.726 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.260 -2.108 -21.699 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.143 -2.271 -23.204 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.699 -3.857 -21.024 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.934 -3.425 -22.189 1.00 0.00 H new ATOM 1495 N ALA A 100 12.068 0.846 -18.904 1.00 0.00 N ATOM 1496 CA ALA A 100 11.209 1.551 -17.963 1.00 0.00 C ATOM 1497 C ALA A 100 9.975 2.089 -18.707 1.00 0.00 C ATOM 1498 O ALA A 100 9.886 2.010 -19.937 1.00 0.00 O ATOM 1499 CB ALA A 100 12.002 2.702 -17.348 1.00 0.00 C ATOM 0 H ALA A 100 12.929 1.344 -19.130 1.00 0.00 H new ATOM 0 HA ALA A 100 10.876 0.878 -17.173 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.372 3.241 -16.640 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.875 2.306 -16.829 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.326 3.382 -18.136 1.00 0.00 H new ATOM 1505 N GLN A 101 9.039 2.701 -17.971 1.00 0.00 N ATOM 1506 CA GLN A 101 7.924 3.423 -18.583 1.00 0.00 C ATOM 1507 C GLN A 101 8.417 4.624 -19.400 1.00 0.00 C ATOM 1508 O GLN A 101 7.795 4.951 -20.407 1.00 0.00 O ATOM 1509 CB GLN A 101 6.939 3.925 -17.514 1.00 0.00 C ATOM 1510 CG GLN A 101 6.237 2.832 -16.697 1.00 0.00 C ATOM 1511 CD GLN A 101 5.438 1.859 -17.568 1.00 0.00 C ATOM 1512 OE1 GLN A 101 5.882 0.751 -17.858 1.00 0.00 O ATOM 1513 NE2 GLN A 101 4.255 2.247 -18.017 1.00 0.00 N ATOM 0 H GLN A 101 9.034 2.709 -16.951 1.00 0.00 H new ATOM 0 HA GLN A 101 7.418 2.721 -19.246 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.477 4.578 -16.827 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.178 4.534 -18.003 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.982 2.275 -16.128 1.00 0.00 H new ATOM 0 HG3 GLN A 101 5.568 3.299 -15.974 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.894 3.169 -17.772 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.705 1.624 -18.608 1.00 0.00 H new ATOM 1522 N HIS A 102 9.501 5.279 -18.955 1.00 0.00 N ATOM 1523 CA HIS A 102 10.111 6.515 -19.463 1.00 0.00 C ATOM 1524 C HIS A 102 9.199 7.756 -19.482 1.00 0.00 C ATOM 1525 O HIS A 102 9.700 8.862 -19.288 1.00 0.00 O ATOM 1526 CB HIS A 102 10.745 6.267 -20.835 1.00 0.00 C ATOM 1527 CG HIS A 102 11.766 5.159 -20.865 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.702 3.999 -21.605 1.00 0.00 N ATOM 1529 CD2 HIS A 102 12.905 5.091 -20.114 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.779 3.256 -21.301 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.555 3.887 -20.406 1.00 0.00 N ATOM 0 H HIS A 102 10.021 4.921 -18.154 1.00 0.00 H new ATOM 0 HA HIS A 102 10.880 6.771 -18.734 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.955 6.034 -21.549 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.219 7.189 -21.173 1.00 0.00 H new ATOM 0 HD1 HIS A 102 10.967 3.749 -22.267 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.246 5.839 -19.414 1.00 0.00 H new ATOM 0 HE1 HIS A 102 12.992 2.283 -21.720 1.00 0.00 H new ATOM 1539 N ALA A 103 7.882 7.601 -19.642 1.00 0.00 N ATOM 1540 CA ALA A 103 6.912 8.689 -19.602 1.00 0.00 C ATOM 1541 C ALA A 103 6.980 9.452 -18.271 1.00 0.00 C ATOM 1542 O ALA A 103 6.941 10.685 -18.260 1.00 0.00 O ATOM 1543 CB ALA A 103 5.512 8.108 -19.825 1.00 0.00 C ATOM 0 H ALA A 103 7.454 6.690 -19.807 1.00 0.00 H new ATOM 0 HA ALA A 103 7.144 9.404 -20.391 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.776 8.912 -19.797 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.474 7.614 -20.796 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.289 7.385 -19.041 1.00 0.00 H new ATOM 1549 N ILE A 104 7.119 8.718 -17.157 1.00 0.00 N ATOM 1550 CA ILE A 104 7.240 9.289 -15.816 1.00 0.00 C ATOM 1551 C ILE A 104 8.457 10.218 -15.802 1.00 0.00 C ATOM 1552 O ILE A 104 8.358 11.345 -15.315 1.00 0.00 O ATOM 1553 CB ILE A 104 7.354 8.172 -14.743 1.00 0.00 C ATOM 1554 CG1 ILE A 104 6.044 7.406 -14.438 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.824 8.742 -13.390 1.00 0.00 C ATOM 1556 CD1 ILE A 104 5.278 6.831 -15.632 1.00 0.00 C ATOM 0 H ILE A 104 7.150 7.699 -17.167 1.00 0.00 H new ATOM 0 HA ILE A 104 6.346 9.861 -15.569 1.00 0.00 H new ATOM 0 HB ILE A 104 8.069 7.481 -15.189 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.282 6.585 -13.762 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.376 8.079 -13.900 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.894 7.936 -12.660 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.802 9.207 -13.511 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.109 9.487 -13.041 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.382 6.321 -15.278 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.993 7.640 -16.305 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.913 6.123 -16.164 1.00 0.00 H new ATOM 1568 N SER A 105 9.586 9.761 -16.348 1.00 0.00 N ATOM 1569 CA SER A 105 10.824 10.514 -16.394 1.00 0.00 C ATOM 1570 C SER A 105 10.609 11.852 -17.082 1.00 0.00 C ATOM 1571 O SER A 105 10.901 12.884 -16.484 1.00 0.00 O ATOM 1572 CB SER A 105 11.894 9.697 -17.110 1.00 0.00 C ATOM 1573 OG SER A 105 11.885 8.366 -16.626 1.00 0.00 O ATOM 0 H SER A 105 9.658 8.838 -16.777 1.00 0.00 H new ATOM 0 HA SER A 105 11.160 10.714 -15.376 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.712 9.704 -18.185 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.875 10.145 -16.950 1.00 0.00 H new ATOM 0 HG SER A 105 12.778 8.131 -16.297 1.00 0.00 H new ATOM 1579 N THR A 106 10.058 11.853 -18.296 1.00 0.00 N ATOM 1580 CA THR A 106 9.783 13.085 -19.023 1.00 0.00 C ATOM 1581 C THR A 106 8.899 14.039 -18.217 1.00 0.00 C ATOM 1582 O THR A 106 9.240 15.216 -18.103 1.00 0.00 O ATOM 1583 CB THR A 106 9.190 12.786 -20.414 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.450 11.583 -20.457 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.300 12.660 -21.454 1.00 0.00 C ATOM 0 H THR A 106 9.793 11.005 -18.797 1.00 0.00 H new ATOM 0 HA THR A 106 10.734 13.596 -19.175 1.00 0.00 H new ATOM 0 HB THR A 106 8.525 13.622 -20.629 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.959 11.471 -19.616 1.00 0.00 H new ATOM 0 HG21 THR A 106 9.862 12.449 -22.430 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.861 13.593 -21.502 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.971 11.848 -21.174 1.00 0.00 H new ATOM 1593 N GLU A 107 7.802 13.556 -17.624 1.00 0.00 N ATOM 1594 CA GLU A 107 6.883 14.418 -16.893 1.00 0.00 C ATOM 1595 C GLU A 107 7.571 15.016 -15.665 1.00 0.00 C ATOM 1596 O GLU A 107 7.502 16.227 -15.445 1.00 0.00 O ATOM 1597 CB GLU A 107 5.619 13.641 -16.489 1.00 0.00 C ATOM 1598 CG GLU A 107 4.704 13.365 -17.691 1.00 0.00 C ATOM 1599 CD GLU A 107 3.397 12.677 -17.259 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.418 13.385 -16.922 1.00 0.00 O ATOM 1601 OE2 GLU A 107 3.317 11.429 -17.271 1.00 0.00 O ATOM 0 H GLU A 107 7.534 12.572 -17.639 1.00 0.00 H new ATOM 0 HA GLU A 107 6.583 15.237 -17.547 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.906 12.696 -16.028 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.069 14.208 -15.738 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.473 14.303 -18.196 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.227 12.735 -18.411 1.00 0.00 H new ATOM 1608 N LYS A 108 8.261 14.194 -14.869 1.00 0.00 N ATOM 1609 CA LYS A 108 8.859 14.654 -13.620 1.00 0.00 C ATOM 1610 C LYS A 108 10.079 15.533 -13.880 1.00 0.00 C ATOM 1611 O LYS A 108 10.244 16.537 -13.189 1.00 0.00 O ATOM 1612 CB LYS A 108 9.182 13.462 -12.707 1.00 0.00 C ATOM 1613 CG LYS A 108 7.895 12.801 -12.186 1.00 0.00 C ATOM 1614 CD LYS A 108 8.186 11.776 -11.082 1.00 0.00 C ATOM 1615 CE LYS A 108 6.882 11.363 -10.386 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.117 10.826 -9.023 1.00 0.00 N ATOM 0 H LYS A 108 8.417 13.206 -15.071 1.00 0.00 H new ATOM 0 HA LYS A 108 8.133 15.277 -13.098 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.775 12.730 -13.255 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.789 13.798 -11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.223 13.568 -11.801 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.379 12.310 -13.011 1.00 0.00 H new ATOM 0 HD2 LYS A 108 8.673 10.899 -11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 108 8.877 12.201 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.217 12.224 -10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.374 10.610 -10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.217 10.498 -8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.784 10.030 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.515 11.573 -8.419 1.00 0.00 H new ATOM 1630 N ILE A 109 10.906 15.216 -14.880 1.00 0.00 N ATOM 1631 CA ILE A 109 12.018 16.073 -15.283 1.00 0.00 C ATOM 1632 C ILE A 109 11.445 17.415 -15.749 1.00 0.00 C ATOM 1633 O ILE A 109 11.939 18.445 -15.303 1.00 0.00 O ATOM 1634 CB ILE A 109 12.904 15.365 -16.341 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.700 14.198 -15.702 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.899 16.319 -17.033 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.294 13.221 -16.728 1.00 0.00 C ATOM 0 H ILE A 109 10.822 14.361 -15.430 1.00 0.00 H new ATOM 0 HA ILE A 109 12.685 16.270 -14.444 1.00 0.00 H new ATOM 0 HB ILE A 109 12.216 14.987 -17.097 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.507 14.609 -15.096 1.00 0.00 H new ATOM 0 HG13 ILE A 109 13.043 13.648 -15.028 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.489 15.763 -17.762 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.350 17.112 -17.540 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.562 16.757 -16.287 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.836 12.432 -16.207 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.491 12.780 -17.318 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.977 13.757 -17.387 1.00 0.00 H new ATOM 1649 N LYS A 110 10.389 17.456 -16.573 1.00 0.00 N ATOM 1650 CA LYS A 110 9.812 18.739 -16.994 1.00 0.00 C ATOM 1651 C LYS A 110 9.262 19.522 -15.802 1.00 0.00 C ATOM 1652 O LYS A 110 9.462 20.735 -15.744 1.00 0.00 O ATOM 1653 CB LYS A 110 8.726 18.538 -18.063 1.00 0.00 C ATOM 1654 CG LYS A 110 9.367 18.236 -19.421 1.00 0.00 C ATOM 1655 CD LYS A 110 8.325 17.940 -20.504 1.00 0.00 C ATOM 1656 CE LYS A 110 9.071 17.719 -21.824 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.180 17.300 -22.935 1.00 0.00 N ATOM 0 H LYS A 110 9.924 16.632 -16.955 1.00 0.00 H new ATOM 0 HA LYS A 110 10.616 19.327 -17.437 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.068 17.719 -17.773 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.108 19.433 -18.136 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.977 19.085 -19.729 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.037 17.382 -19.322 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.742 17.057 -20.242 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.623 18.769 -20.596 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.582 18.640 -22.104 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.840 16.960 -21.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.742 17.167 -23.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.711 16.406 -22.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.461 18.034 -23.099 1.00 0.00 H new ATOM 1671 N ALA A 111 8.608 18.853 -14.848 1.00 0.00 N ATOM 1672 CA ALA A 111 8.062 19.504 -13.663 1.00 0.00 C ATOM 1673 C ALA A 111 9.175 20.130 -12.810 1.00 0.00 C ATOM 1674 O ALA A 111 9.046 21.281 -12.388 1.00 0.00 O ATOM 1675 CB ALA A 111 7.248 18.496 -12.842 1.00 0.00 C ATOM 0 H ALA A 111 8.445 17.847 -14.879 1.00 0.00 H new ATOM 0 HA ALA A 111 7.403 20.310 -13.985 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.843 18.989 -11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.429 18.109 -13.449 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.892 17.672 -12.535 1.00 0.00 H new ATOM 1681 N LYS A 112 10.263 19.393 -12.554 1.00 0.00 N ATOM 1682 CA LYS A 112 11.365 19.873 -11.712 1.00 0.00 C ATOM 1683 C LYS A 112 12.301 20.822 -12.470 1.00 0.00 C ATOM 1684 O LYS A 112 12.973 21.635 -11.837 1.00 0.00 O ATOM 1685 CB LYS A 112 12.142 18.679 -11.128 1.00 0.00 C ATOM 1686 CG LYS A 112 11.304 17.841 -10.145 1.00 0.00 C ATOM 1687 CD LYS A 112 10.926 18.587 -8.851 1.00 0.00 C ATOM 1688 CE LYS A 112 10.241 17.661 -7.831 1.00 0.00 C ATOM 1689 NZ LYS A 112 8.880 17.234 -8.245 1.00 0.00 N ATOM 0 H LYS A 112 10.404 18.452 -12.923 1.00 0.00 H new ATOM 0 HA LYS A 112 10.932 20.448 -10.893 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.483 18.040 -11.943 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.032 19.046 -10.617 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.391 17.517 -10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.861 16.941 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.823 19.017 -8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.261 19.416 -9.092 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.861 16.777 -7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.177 18.174 -6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.690 16.278 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.176 17.897 -7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.819 17.227 -9.283 1.00 0.00 H new ATOM 1703 N TYR A 113 12.326 20.730 -13.801 1.00 0.00 N ATOM 1704 CA TYR A 113 13.234 21.406 -14.724 1.00 0.00 C ATOM 1705 C TYR A 113 14.684 21.422 -14.198 1.00 0.00 C ATOM 1706 O TYR A 113 15.226 22.490 -13.902 1.00 0.00 O ATOM 1707 CB TYR A 113 12.660 22.771 -15.142 1.00 0.00 C ATOM 1708 CG TYR A 113 13.080 23.188 -16.542 1.00 0.00 C ATOM 1709 CD1 TYR A 113 12.284 22.815 -17.644 1.00 0.00 C ATOM 1710 CD2 TYR A 113 14.262 23.925 -16.750 1.00 0.00 C ATOM 1711 CE1 TYR A 113 12.655 23.190 -18.948 1.00 0.00 C ATOM 1712 CE2 TYR A 113 14.642 24.297 -18.052 1.00 0.00 C ATOM 1713 CZ TYR A 113 13.837 23.938 -19.157 1.00 0.00 C ATOM 1714 OH TYR A 113 14.213 24.309 -20.414 1.00 0.00 O ATOM 0 H TYR A 113 11.661 20.136 -14.297 1.00 0.00 H new ATOM 0 HA TYR A 113 13.306 20.833 -15.648 1.00 0.00 H new ATOM 0 HB2 TYR A 113 11.572 22.732 -15.091 1.00 0.00 H new ATOM 0 HB3 TYR A 113 12.985 23.529 -14.430 1.00 0.00 H new ATOM 0 HD1 TYR A 113 11.385 22.238 -17.486 1.00 0.00 H new ATOM 0 HD2 TYR A 113 14.878 24.205 -15.908 1.00 0.00 H new ATOM 0 HE1 TYR A 113 12.038 22.907 -19.788 1.00 0.00 H new ATOM 0 HE2 TYR A 113 15.551 24.858 -18.208 1.00 0.00 H new ATOM 0 HH TYR A 113 15.049 24.818 -20.368 1.00 0.00 H new ATOM 1724 N PRO A 114 15.319 20.243 -14.024 1.00 0.00 N ATOM 1725 CA PRO A 114 16.625 20.133 -13.381 1.00 0.00 C ATOM 1726 C PRO A 114 17.756 20.757 -14.210 1.00 0.00 C ATOM 1727 O PRO A 114 18.774 21.147 -13.634 1.00 0.00 O ATOM 1728 CB PRO A 114 16.842 18.633 -13.144 1.00 0.00 C ATOM 1729 CG PRO A 114 16.015 17.973 -14.244 1.00 0.00 C ATOM 1730 CD PRO A 114 14.834 18.925 -14.403 1.00 0.00 C ATOM 0 HA PRO A 114 16.643 20.694 -12.447 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.896 18.364 -13.218 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.505 18.331 -12.153 1.00 0.00 H new ATOM 0 HG2 PRO A 114 16.581 17.874 -15.170 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.691 16.972 -13.960 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.470 18.925 -15.430 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.001 18.620 -13.770 1.00 0.00 H new ATOM 1738 N ASP A 115 17.590 20.883 -15.534 1.00 0.00 N ATOM 1739 CA ASP A 115 18.534 21.605 -16.391 1.00 0.00 C ATOM 1740 C ASP A 115 17.884 22.111 -17.680 1.00 0.00 C ATOM 1741 O ASP A 115 18.073 23.276 -18.032 1.00 0.00 O ATOM 1742 CB ASP A 115 19.732 20.716 -16.761 1.00 0.00 C ATOM 1743 CG ASP A 115 20.746 21.508 -17.602 1.00 0.00 C ATOM 1744 OD1 ASP A 115 21.489 22.339 -17.031 1.00 0.00 O ATOM 1745 OD2 ASP A 115 20.816 21.295 -18.832 1.00 0.00 O ATOM 0 H ASP A 115 16.797 20.487 -16.039 1.00 0.00 H new ATOM 0 HA ASP A 115 18.871 22.465 -15.812 1.00 0.00 H new ATOM 0 HB2 ASP A 115 20.212 20.345 -15.855 1.00 0.00 H new ATOM 0 HB3 ASP A 115 19.388 19.845 -17.319 1.00 0.00 H new ATOM 1750 N TYR A 116 17.110 21.267 -18.377 1.00 0.00 N ATOM 1751 CA TYR A 116 16.536 21.590 -19.682 1.00 0.00 C ATOM 1752 C TYR A 116 15.316 20.700 -19.973 1.00 0.00 C ATOM 1753 O TYR A 116 15.023 19.776 -19.208 1.00 0.00 O ATOM 1754 CB TYR A 116 17.619 21.425 -20.765 1.00 0.00 C ATOM 1755 CG TYR A 116 17.344 22.204 -22.037 1.00 0.00 C ATOM 1756 CD1 TYR A 116 17.566 23.593 -22.076 1.00 0.00 C ATOM 1757 CD2 TYR A 116 16.864 21.541 -23.177 1.00 0.00 C ATOM 1758 CE1 TYR A 116 17.316 24.317 -23.255 1.00 0.00 C ATOM 1759 CE2 TYR A 116 16.603 22.255 -24.360 1.00 0.00 C ATOM 1760 CZ TYR A 116 16.832 23.649 -24.406 1.00 0.00 C ATOM 1761 OH TYR A 116 16.583 24.333 -25.558 1.00 0.00 O ATOM 0 H TYR A 116 16.865 20.334 -18.044 1.00 0.00 H new ATOM 0 HA TYR A 116 16.191 22.624 -19.683 1.00 0.00 H new ATOM 0 HB2 TYR A 116 18.578 21.743 -20.356 1.00 0.00 H new ATOM 0 HB3 TYR A 116 17.713 20.368 -21.012 1.00 0.00 H new ATOM 0 HD1 TYR A 116 17.930 24.105 -21.197 1.00 0.00 H new ATOM 0 HD2 TYR A 116 16.694 20.475 -23.145 1.00 0.00 H new ATOM 0 HE1 TYR A 116 17.493 25.382 -23.283 1.00 0.00 H new ATOM 0 HE2 TYR A 116 16.228 21.739 -25.232 1.00 0.00 H new ATOM 0 HH TYR A 116 16.257 23.712 -26.243 1.00 0.00 H new ATOM 1771 N GLU A 117 14.610 20.975 -21.074 1.00 0.00 N ATOM 1772 CA GLU A 117 13.500 20.162 -21.566 1.00 0.00 C ATOM 1773 C GLU A 117 14.005 18.792 -22.051 1.00 0.00 C ATOM 1774 O GLU A 117 15.192 18.604 -22.344 1.00 0.00 O ATOM 1775 CB GLU A 117 12.739 20.946 -22.657 1.00 0.00 C ATOM 1776 CG GLU A 117 11.426 20.290 -23.103 1.00 0.00 C ATOM 1777 CD GLU A 117 10.539 21.236 -23.932 1.00 0.00 C ATOM 1778 OE1 GLU A 117 9.948 22.184 -23.365 1.00 0.00 O ATOM 1779 OE2 GLU A 117 10.393 21.010 -25.153 1.00 0.00 O ATOM 0 H GLU A 117 14.801 21.788 -21.659 1.00 0.00 H new ATOM 0 HA GLU A 117 12.798 19.957 -20.758 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.524 21.948 -22.285 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.388 21.061 -23.525 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.651 19.401 -23.692 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.874 19.959 -22.224 1.00 0.00 H new ATOM 1786 N VAL A 118 13.089 17.827 -22.158 1.00 0.00 N ATOM 1787 CA VAL A 118 13.380 16.423 -22.391 1.00 0.00 C ATOM 1788 C VAL A 118 12.275 15.807 -23.262 1.00 0.00 C ATOM 1789 O VAL A 118 11.182 16.364 -23.362 1.00 0.00 O ATOM 1790 CB VAL A 118 13.550 15.751 -21.008 1.00 0.00 C ATOM 1791 CG1 VAL A 118 12.306 15.900 -20.119 1.00 0.00 C ATOM 1792 CG2 VAL A 118 13.965 14.278 -21.078 1.00 0.00 C ATOM 0 H VAL A 118 12.090 18.016 -22.081 1.00 0.00 H new ATOM 0 HA VAL A 118 14.305 16.273 -22.948 1.00 0.00 H new ATOM 0 HB VAL A 118 14.374 16.297 -20.549 1.00 0.00 H new ATOM 0 HG11 VAL A 118 12.482 15.410 -19.162 1.00 0.00 H new ATOM 0 HG12 VAL A 118 12.102 16.958 -19.953 1.00 0.00 H new ATOM 0 HG13 VAL A 118 11.450 15.438 -20.611 1.00 0.00 H new ATOM 0 HG21 VAL A 118 14.063 13.879 -20.068 1.00 0.00 H new ATOM 0 HG22 VAL A 118 13.207 13.712 -21.620 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.920 14.193 -21.596 1.00 0.00 H new ATOM 1802 N THR A 119 12.538 14.648 -23.862 1.00 0.00 N ATOM 1803 CA THR A 119 11.612 13.861 -24.673 1.00 0.00 C ATOM 1804 C THR A 119 11.865 12.371 -24.395 1.00 0.00 C ATOM 1805 O THR A 119 12.811 12.030 -23.678 1.00 0.00 O ATOM 1806 CB THR A 119 11.807 14.216 -26.162 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.179 14.253 -26.521 1.00 0.00 O ATOM 1808 CG2 THR A 119 11.164 15.554 -26.523 1.00 0.00 C ATOM 0 H THR A 119 13.455 14.208 -23.791 1.00 0.00 H new ATOM 0 HA THR A 119 10.577 14.086 -24.417 1.00 0.00 H new ATOM 0 HB THR A 119 11.312 13.423 -26.723 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.497 13.342 -26.694 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.327 15.762 -27.580 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.094 15.509 -26.322 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.612 16.347 -25.924 1.00 0.00 H new ATOM 1816 N TRP A 120 11.050 11.469 -24.948 1.00 0.00 N ATOM 1817 CA TRP A 120 11.296 10.032 -24.846 1.00 0.00 C ATOM 1818 C TRP A 120 10.849 9.308 -26.107 1.00 0.00 C ATOM 1819 O TRP A 120 10.122 9.871 -26.932 1.00 0.00 O ATOM 1820 CB TRP A 120 10.599 9.420 -23.616 1.00 0.00 C ATOM 1821 CG TRP A 120 9.112 9.219 -23.678 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.169 10.184 -23.691 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.372 7.958 -23.705 1.00 0.00 C ATOM 1824 NE1 TRP A 120 6.911 9.619 -23.666 1.00 0.00 N ATOM 1825 CE2 TRP A 120 6.974 8.244 -23.664 1.00 0.00 C ATOM 1826 CE3 TRP A 120 8.744 6.598 -23.746 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.000 7.234 -23.629 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 7.779 5.578 -23.675 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.409 5.891 -23.621 1.00 0.00 C ATOM 0 H TRP A 120 10.210 11.712 -25.473 1.00 0.00 H new ATOM 0 HA TRP A 120 12.372 9.903 -24.728 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.059 8.452 -23.418 1.00 0.00 H new ATOM 0 HB3 TRP A 120 10.815 10.057 -22.758 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.370 11.245 -23.717 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.042 10.153 -23.651 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.788 6.336 -23.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 4.950 7.487 -23.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.093 4.545 -23.662 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.674 5.101 -23.574 1.00 0.00 H new ATOM 1840 N ALA A 121 11.264 8.048 -26.227 1.00 0.00 N ATOM 1841 CA ALA A 121 10.782 7.114 -27.227 1.00 0.00 C ATOM 1842 C ALA A 121 10.846 5.714 -26.623 1.00 0.00 C ATOM 1843 O ALA A 121 11.784 5.391 -25.890 1.00 0.00 O ATOM 1844 CB ALA A 121 11.635 7.183 -28.501 1.00 0.00 C ATOM 0 H ALA A 121 11.967 7.643 -25.609 1.00 0.00 H new ATOM 0 HA ALA A 121 9.759 7.365 -27.507 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.252 6.473 -29.234 1.00 0.00 H new ATOM 0 HB2 ALA A 121 11.591 8.191 -28.914 1.00 0.00 H new ATOM 0 HB3 ALA A 121 12.669 6.934 -28.261 1.00 0.00 H new ATOM 1850 N ASN A 122 9.863 4.875 -26.946 1.00 0.00 N ATOM 1851 CA ASN A 122 9.766 3.496 -26.465 1.00 0.00 C ATOM 1852 C ASN A 122 10.558 2.554 -27.386 1.00 0.00 C ATOM 1853 O ASN A 122 10.061 1.514 -27.823 1.00 0.00 O ATOM 1854 CB ASN A 122 8.285 3.103 -26.352 1.00 0.00 C ATOM 1855 CG ASN A 122 8.103 1.758 -25.646 1.00 0.00 C ATOM 1856 OD1 ASN A 122 8.852 1.402 -24.739 1.00 0.00 O ATOM 1857 ND2 ASN A 122 7.097 0.986 -26.027 1.00 0.00 N ATOM 0 H ASN A 122 9.095 5.140 -27.563 1.00 0.00 H new ATOM 0 HA ASN A 122 10.210 3.411 -25.473 1.00 0.00 H new ATOM 0 HB2 ASN A 122 7.745 3.876 -25.805 1.00 0.00 H new ATOM 0 HB3 ASN A 122 7.846 3.052 -27.348 1.00 0.00 H new ATOM 0 HD21 ASN A 122 6.940 0.089 -25.567 1.00 0.00 H new ATOM 0 HD22 ASN A 122 6.479 1.288 -26.781 1.00 0.00 H new ATOM 1864 N ASP A 123 11.762 2.972 -27.776 1.00 0.00 N ATOM 1865 CA ASP A 123 12.608 2.327 -28.783 1.00 0.00 C ATOM 1866 C ASP A 123 14.074 2.655 -28.452 1.00 0.00 C ATOM 1867 O ASP A 123 14.357 3.118 -27.344 1.00 0.00 O ATOM 1868 CB ASP A 123 12.186 2.807 -30.186 1.00 0.00 C ATOM 1869 CG ASP A 123 12.641 1.831 -31.285 1.00 0.00 C ATOM 1870 OD1 ASP A 123 11.903 0.868 -31.588 1.00 0.00 O ATOM 1871 OD2 ASP A 123 13.741 2.018 -31.851 1.00 0.00 O ATOM 0 H ASP A 123 12.195 3.807 -27.381 1.00 0.00 H new ATOM 0 HA ASP A 123 12.494 1.243 -28.775 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.102 2.915 -30.222 1.00 0.00 H new ATOM 0 HB3 ASP A 123 12.611 3.792 -30.376 1.00 0.00 H new ATOM 1876 N GLY A 124 15.015 2.439 -29.373 1.00 0.00 N ATOM 1877 CA GLY A 124 16.431 2.704 -29.163 1.00 0.00 C ATOM 1878 C GLY A 124 17.132 1.544 -28.454 1.00 0.00 C ATOM 1879 O GLY A 124 16.533 0.499 -28.178 1.00 0.00 O ATOM 0 H GLY A 124 14.806 2.069 -30.300 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.912 2.886 -30.124 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.546 3.613 -28.572 1.00 0.00 H new ATOM 1883 N TYR A 125 18.417 1.746 -28.160 1.00 0.00 N ATOM 1884 CA TYR A 125 19.315 0.797 -27.517 1.00 0.00 C ATOM 1885 C TYR A 125 20.226 1.628 -26.624 1.00 0.00 C ATOM 1886 O TYR A 125 20.429 1.261 -25.450 1.00 0.00 O ATOM 1887 CB TYR A 125 20.154 0.040 -28.562 1.00 0.00 C ATOM 1888 CG TYR A 125 19.364 -0.829 -29.523 1.00 0.00 C ATOM 1889 CD1 TYR A 125 19.090 -2.169 -29.196 1.00 0.00 C ATOM 1890 CD2 TYR A 125 18.908 -0.299 -30.747 1.00 0.00 C ATOM 1891 CE1 TYR A 125 18.350 -2.979 -30.076 1.00 0.00 C ATOM 1892 CE2 TYR A 125 18.167 -1.102 -31.633 1.00 0.00 C ATOM 1893 CZ TYR A 125 17.881 -2.446 -31.301 1.00 0.00 C ATOM 1894 OH TYR A 125 17.162 -3.213 -32.167 1.00 0.00 O ATOM 1895 OXT TYR A 125 20.709 2.676 -27.103 1.00 0.00 O ATOM 0 H TYR A 125 18.881 2.628 -28.378 1.00 0.00 H new ATOM 0 HA TYR A 125 18.757 0.050 -26.952 1.00 0.00 H new ATOM 0 HB2 TYR A 125 20.725 0.766 -29.141 1.00 0.00 H new ATOM 0 HB3 TYR A 125 20.875 -0.588 -28.039 1.00 0.00 H new ATOM 0 HD1 TYR A 125 19.450 -2.578 -28.264 1.00 0.00 H new ATOM 0 HD2 TYR A 125 19.128 0.726 -31.005 1.00 0.00 H new ATOM 0 HE1 TYR A 125 18.140 -4.006 -29.818 1.00 0.00 H new ATOM 0 HE2 TYR A 125 17.816 -0.691 -32.568 1.00 0.00 H new ATOM 0 HH TYR A 125 16.923 -2.681 -32.955 1.00 0.00 H new TER 1905 TYR A 125