USER MOD reduce.3.24.130724 H: found=0, std=0, add=1157, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1157 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 122 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.25) USER MOD Set 1.2: A 134 HIS : no HD1:sc= 0 X(o=-0.013,f=-0.013) USER MOD Single : A 1 MET CE :methyl -144:sc= -0.173 (180deg=-1.33) USER MOD Single : A 1 MET N :NH3+ -140:sc= 1.08 (180deg=-0.81) USER MOD Single : A 2 LYS NZ :NH3+ -110:sc= 2.74 (180deg=-0.742) USER MOD Single : A 8 ASN : amide:sc= 0.226 X(o=0.23,f=-0.033) USER MOD Single : A 9 THR OG1 : rot 47:sc= 0.576 USER MOD Single : A 10 ASN : amide:sc= 0.216 K(o=0.22,f=-0.32) USER MOD Single : A 11 ASN : amide:sc= 0.256 K(o=0.26,f=-0.45) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= -0.0179 (180deg=-0.151) USER MOD Single : A 19 LYS NZ :NH3+ 152:sc= 0.162 (180deg=-1.16) USER MOD Single : A 20 LYS NZ :NH3+ -155:sc= 0.54 (180deg=0.134) USER MOD Single : A 24 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.14) USER MOD Single : A 25 GLN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 27 TYR OH : rot 165:sc= -1.04 USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -166:sc= -0.0418 (180deg=-0.285) USER MOD Single : A 42 MET CE :methyl -138:sc= -1.02 (180deg=-3.56!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= 0.464 (180deg=0.13) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= 0.0468 F(o=-0.93,f=0.047) USER MOD Single : A 53 LYS NZ :NH3+ -117:sc= 0.0597 (180deg=0.0313) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -100:sc= -0.323 USER MOD Single : A 59 ASN : amide:sc= -0.0622 K(o=-0.062,f=-3.1!) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 0.598 (180deg=0.515) USER MOD Single : A 62 GLN : amide:sc= -0.482 K(o=-0.48,f=-4.9!) USER MOD Single : A 65 LYS NZ :NH3+ -135:sc= -0.528 (180deg=-2.5!) USER MOD Single : A 67 MET CE :methyl 173:sc= -1.87 (180deg=-2.15) USER MOD Single : A 72 SER OG : rot -81:sc= 0.631 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 50:sc=-0.00549 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.431 K(o=-0.43,f=-4.6!) USER MOD Single : A 88 ASN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 153:sc= 0.757 (180deg=0.0907) USER MOD Single : A 96 LYS NZ :NH3+ 177:sc= 0.286 (180deg=0.282) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0.00083) USER MOD Single : A 102 TYR OH : rot -103:sc= 0.586 USER MOD Single : A 106 LYS NZ :NH3+ -152:sc= -0.873 (180deg=-1.65!) USER MOD Single : A 108 THR OG1 : rot 58:sc= 0.0582 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl 173:sc=-0.00302 (180deg=-0.0768) USER MOD Single : A 123 LYS NZ :NH3+ -135:sc= 0.08 (180deg=-0.0535) USER MOD Single : A 126 SER OG : rot 7:sc= 0.504 USER MOD Single : A 129 HIS : no HD1:sc= -0.223 K(o=-0.22,f=-0.79) USER MOD Single : A 130 HIS : no HE2:sc= 0.432 K(o=0.43,f=-2.2) USER MOD Single : A 131 HIS : no HD1:sc= -0.0768 X(o=-0.077,f=-0.049) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= -0.0509 X(o=-0.051,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.859 10.444 13.339 1.00 33.43 N ATOM 2 CA MET A 1 3.262 10.051 11.969 1.00 42.01 C ATOM 3 C MET A 1 3.471 8.537 11.925 1.00 20.44 C ATOM 4 O MET A 1 4.094 7.986 12.823 1.00 64.40 O ATOM 5 CB MET A 1 4.565 10.802 11.550 1.00 31.51 C ATOM 6 CG MET A 1 5.175 10.370 10.200 1.00 72.02 C ATOM 7 SD MET A 1 4.027 10.567 8.822 1.00 73.33 S ATOM 8 CE MET A 1 5.007 9.948 7.457 1.00 20.31 C ATOM 0 H1 MET A 1 2.121 11.175 13.288 1.00 33.43 H new ATOM 0 H2 MET A 1 2.489 9.613 13.844 1.00 33.43 H new ATOM 0 H3 MET A 1 3.684 10.820 13.849 1.00 33.43 H new ATOM 0 HA MET A 1 2.477 10.325 11.264 1.00 42.01 H new ATOM 0 HB2 MET A 1 4.350 11.870 11.507 1.00 31.51 H new ATOM 0 HB3 MET A 1 5.313 10.658 12.330 1.00 31.51 H new ATOM 0 HG2 MET A 1 6.072 10.958 10.007 1.00 72.02 H new ATOM 0 HG3 MET A 1 5.485 9.327 10.263 1.00 72.02 H new ATOM 0 HE1 MET A 1 4.790 10.528 6.560 1.00 20.31 H new ATOM 0 HE2 MET A 1 6.066 10.037 7.699 1.00 20.31 H new ATOM 0 HE3 MET A 1 4.763 8.901 7.279 1.00 20.31 H new ATOM 20 N LYS A 2 2.951 7.879 10.880 1.00 14.40 N ATOM 21 CA LYS A 2 3.097 6.426 10.683 1.00 71.44 C ATOM 22 C LYS A 2 3.134 6.150 9.174 1.00 23.24 C ATOM 23 O LYS A 2 2.261 6.602 8.441 1.00 14.40 O ATOM 24 CB LYS A 2 1.929 5.671 11.379 1.00 24.31 C ATOM 25 CG LYS A 2 2.037 4.122 11.357 1.00 11.03 C ATOM 26 CD LYS A 2 0.957 3.436 12.232 1.00 53.10 C ATOM 27 CE LYS A 2 1.082 3.805 13.722 1.00 73.42 C ATOM 28 NZ LYS A 2 0.048 3.176 14.557 1.00 75.51 N ATOM 0 H LYS A 2 2.415 8.339 10.144 1.00 14.40 H new ATOM 0 HA LYS A 2 4.022 6.067 11.134 1.00 71.44 H new ATOM 0 HB2 LYS A 2 1.872 6.001 12.416 1.00 24.31 H new ATOM 0 HB3 LYS A 2 0.994 5.961 10.900 1.00 24.31 H new ATOM 0 HG2 LYS A 2 1.944 3.770 10.330 1.00 11.03 H new ATOM 0 HG3 LYS A 2 3.026 3.826 11.708 1.00 11.03 H new ATOM 0 HD2 LYS A 2 -0.032 3.721 11.872 1.00 53.10 H new ATOM 0 HD3 LYS A 2 1.037 2.355 12.121 1.00 53.10 H new ATOM 0 HE2 LYS A 2 2.066 3.505 14.084 1.00 73.42 H new ATOM 0 HE3 LYS A 2 1.019 4.888 13.829 1.00 73.42 H new ATOM 0 HZ1 LYS A 2 -0.617 3.902 14.892 1.00 75.51 H new ATOM 0 HZ2 LYS A 2 -0.467 2.467 13.997 1.00 75.51 H new ATOM 0 HZ3 LYS A 2 0.495 2.713 15.374 1.00 75.51 H new ATOM 42 N ILE A 3 4.156 5.417 8.723 1.00 61.41 N ATOM 43 CA ILE A 3 4.391 5.155 7.296 1.00 40.33 C ATOM 44 C ILE A 3 3.694 3.851 6.899 1.00 0.33 C ATOM 45 O ILE A 3 3.926 2.814 7.511 1.00 33.23 O ATOM 46 CB ILE A 3 5.931 5.033 6.998 1.00 13.14 C ATOM 47 CG1 ILE A 3 6.669 6.355 7.387 1.00 71.03 C ATOM 48 CG2 ILE A 3 6.189 4.654 5.517 1.00 2.42 C ATOM 49 CD1 ILE A 3 8.174 6.322 7.194 1.00 55.51 C ATOM 0 H ILE A 3 4.847 4.986 9.337 1.00 61.41 H new ATOM 0 HA ILE A 3 3.988 5.987 6.718 1.00 40.33 H new ATOM 0 HB ILE A 3 6.335 4.228 7.611 1.00 13.14 H new ATOM 0 HG12 ILE A 3 6.258 7.172 6.794 1.00 71.03 H new ATOM 0 HG13 ILE A 3 6.455 6.580 8.432 1.00 71.03 H new ATOM 0 HG21 ILE A 3 7.262 4.577 5.343 1.00 2.42 H new ATOM 0 HG22 ILE A 3 5.717 3.696 5.299 1.00 2.42 H new ATOM 0 HG23 ILE A 3 5.770 5.422 4.867 1.00 2.42 H new ATOM 0 HD11 ILE A 3 8.600 7.281 7.489 1.00 55.51 H new ATOM 0 HD12 ILE A 3 8.602 5.530 7.808 1.00 55.51 H new ATOM 0 HD13 ILE A 3 8.402 6.131 6.145 1.00 55.51 H new ATOM 61 N LEU A 4 2.803 3.932 5.905 1.00 13.51 N ATOM 62 CA LEU A 4 2.147 2.753 5.300 1.00 61.01 C ATOM 63 C LEU A 4 2.568 2.634 3.841 1.00 25.31 C ATOM 64 O LEU A 4 2.768 3.643 3.169 1.00 54.22 O ATOM 65 CB LEU A 4 0.594 2.843 5.381 1.00 63.23 C ATOM 66 CG LEU A 4 -0.064 2.398 6.724 1.00 10.34 C ATOM 67 CD1 LEU A 4 0.339 3.309 7.905 1.00 23.05 C ATOM 68 CD2 LEU A 4 -1.592 2.304 6.563 1.00 70.44 C ATOM 0 H LEU A 4 2.511 4.817 5.491 1.00 13.51 H new ATOM 0 HA LEU A 4 2.460 1.873 5.862 1.00 61.01 H new ATOM 0 HB2 LEU A 4 0.302 3.875 5.184 1.00 63.23 H new ATOM 0 HB3 LEU A 4 0.176 2.235 4.579 1.00 63.23 H new ATOM 0 HG LEU A 4 0.314 1.406 6.969 1.00 10.34 H new ATOM 0 HD11 LEU A 4 -0.145 2.958 8.817 1.00 23.05 H new ATOM 0 HD12 LEU A 4 1.421 3.280 8.034 1.00 23.05 H new ATOM 0 HD13 LEU A 4 0.025 4.332 7.699 1.00 23.05 H new ATOM 0 HD21 LEU A 4 -2.039 1.993 7.507 1.00 70.44 H new ATOM 0 HD22 LEU A 4 -1.988 3.278 6.278 1.00 70.44 H new ATOM 0 HD23 LEU A 4 -1.832 1.574 5.790 1.00 70.44 H new ATOM 80 N ILE A 5 2.724 1.387 3.370 1.00 0.13 N ATOM 81 CA ILE A 5 2.786 1.071 1.942 1.00 64.21 C ATOM 82 C ILE A 5 1.657 0.066 1.649 1.00 33.32 C ATOM 83 O ILE A 5 1.682 -1.068 2.146 1.00 44.13 O ATOM 84 CB ILE A 5 4.183 0.494 1.484 1.00 1.43 C ATOM 85 CG1 ILE A 5 5.346 1.487 1.826 1.00 63.21 C ATOM 86 CG2 ILE A 5 4.172 0.154 -0.036 1.00 5.21 C ATOM 87 CD1 ILE A 5 6.720 1.082 1.304 1.00 32.22 C ATOM 0 H ILE A 5 2.811 0.570 3.974 1.00 0.13 H new ATOM 0 HA ILE A 5 2.661 1.992 1.373 1.00 64.21 H new ATOM 0 HB ILE A 5 4.360 -0.429 2.037 1.00 1.43 H new ATOM 0 HG12 ILE A 5 5.096 2.468 1.421 1.00 63.21 H new ATOM 0 HG13 ILE A 5 5.404 1.595 2.909 1.00 63.21 H new ATOM 0 HG21 ILE A 5 5.145 -0.242 -0.327 1.00 5.21 H new ATOM 0 HG22 ILE A 5 3.402 -0.591 -0.237 1.00 5.21 H new ATOM 0 HG23 ILE A 5 3.961 1.057 -0.609 1.00 5.21 H new ATOM 0 HD11 ILE A 5 7.455 1.833 1.593 1.00 32.22 H new ATOM 0 HD12 ILE A 5 7.001 0.118 1.728 1.00 32.22 H new ATOM 0 HD13 ILE A 5 6.688 1.005 0.217 1.00 32.22 H new ATOM 99 N LEU A 6 0.642 0.518 0.894 1.00 35.41 N ATOM 100 CA LEU A 6 -0.500 -0.311 0.496 1.00 44.11 C ATOM 101 C LEU A 6 -0.186 -1.006 -0.828 1.00 10.30 C ATOM 102 O LEU A 6 0.102 -0.349 -1.834 1.00 72.11 O ATOM 103 CB LEU A 6 -1.782 0.541 0.335 1.00 44.42 C ATOM 104 CG LEU A 6 -2.262 1.304 1.595 1.00 4.43 C ATOM 105 CD1 LEU A 6 -3.609 2.015 1.341 1.00 34.21 C ATOM 106 CD2 LEU A 6 -2.332 0.387 2.827 1.00 14.25 C ATOM 0 H LEU A 6 0.594 1.474 0.543 1.00 35.41 H new ATOM 0 HA LEU A 6 -0.675 -1.050 1.278 1.00 44.11 H new ATOM 0 HB2 LEU A 6 -1.613 1.267 -0.461 1.00 44.42 H new ATOM 0 HB3 LEU A 6 -2.588 -0.113 0.003 1.00 44.42 H new ATOM 0 HG LEU A 6 -1.519 2.072 1.811 1.00 4.43 H new ATOM 0 HD11 LEU A 6 -3.919 2.541 2.244 1.00 34.21 H new ATOM 0 HD12 LEU A 6 -3.495 2.729 0.526 1.00 34.21 H new ATOM 0 HD13 LEU A 6 -4.365 1.277 1.074 1.00 34.21 H new ATOM 0 HD21 LEU A 6 -2.673 0.961 3.689 1.00 14.25 H new ATOM 0 HD22 LEU A 6 -3.030 -0.428 2.635 1.00 14.25 H new ATOM 0 HD23 LEU A 6 -1.343 -0.023 3.032 1.00 14.25 H new ATOM 118 N ILE A 7 -0.225 -2.334 -0.801 1.00 10.51 N ATOM 119 CA ILE A 7 -0.002 -3.173 -1.981 1.00 31.34 C ATOM 120 C ILE A 7 -1.319 -3.825 -2.398 1.00 50.43 C ATOM 121 O ILE A 7 -1.909 -4.609 -1.640 1.00 62.34 O ATOM 122 CB ILE A 7 1.080 -4.282 -1.702 1.00 24.20 C ATOM 123 CG1 ILE A 7 2.459 -3.628 -1.374 1.00 53.01 C ATOM 124 CG2 ILE A 7 1.203 -5.286 -2.883 1.00 35.33 C ATOM 125 CD1 ILE A 7 3.049 -2.769 -2.487 1.00 11.12 C ATOM 0 H ILE A 7 -0.414 -2.867 0.048 1.00 10.51 H new ATOM 0 HA ILE A 7 0.369 -2.539 -2.786 1.00 31.34 H new ATOM 0 HB ILE A 7 0.751 -4.853 -0.834 1.00 24.20 H new ATOM 0 HG12 ILE A 7 2.348 -3.013 -0.481 1.00 53.01 H new ATOM 0 HG13 ILE A 7 3.169 -4.418 -1.131 1.00 53.01 H new ATOM 0 HG21 ILE A 7 1.961 -6.034 -2.648 1.00 35.33 H new ATOM 0 HG22 ILE A 7 0.244 -5.779 -3.043 1.00 35.33 H new ATOM 0 HG23 ILE A 7 1.491 -4.750 -3.788 1.00 35.33 H new ATOM 0 HD11 ILE A 7 4.006 -2.360 -2.163 1.00 11.12 H new ATOM 0 HD12 ILE A 7 3.199 -3.380 -3.377 1.00 11.12 H new ATOM 0 HD13 ILE A 7 2.365 -1.952 -2.718 1.00 11.12 H new ATOM 137 N ASN A 8 -1.775 -3.474 -3.602 1.00 24.22 N ATOM 138 CA ASN A 8 -2.888 -4.139 -4.265 1.00 72.03 C ATOM 139 C ASN A 8 -2.379 -4.726 -5.579 1.00 53.11 C ATOM 140 O ASN A 8 -2.149 -4.000 -6.548 1.00 3.13 O ATOM 141 CB ASN A 8 -4.048 -3.140 -4.517 1.00 53.55 C ATOM 142 CG ASN A 8 -5.193 -3.757 -5.325 1.00 54.50 C ATOM 143 OD1 ASN A 8 -5.292 -3.597 -6.544 1.00 54.14 O ATOM 144 ND2 ASN A 8 -6.047 -4.500 -4.651 1.00 62.14 N ATOM 0 H ASN A 8 -1.374 -2.711 -4.147 1.00 24.22 H new ATOM 0 HA ASN A 8 -3.278 -4.936 -3.632 1.00 72.03 H new ATOM 0 HB2 ASN A 8 -4.433 -2.787 -3.560 1.00 53.55 H new ATOM 0 HB3 ASN A 8 -3.663 -2.269 -5.047 1.00 53.55 H new ATOM 0 HD21 ASN A 8 -6.816 -4.962 -5.137 1.00 62.14 H new ATOM 0 HD22 ASN A 8 -5.939 -4.614 -3.643 1.00 62.14 H new ATOM 151 N THR A 9 -2.142 -6.038 -5.580 1.00 71.53 N ATOM 152 CA THR A 9 -1.879 -6.811 -6.795 1.00 72.03 C ATOM 153 C THR A 9 -2.761 -8.052 -6.808 1.00 74.31 C ATOM 154 O THR A 9 -3.059 -8.626 -5.749 1.00 12.12 O ATOM 155 CB THR A 9 -0.373 -7.197 -6.979 1.00 73.31 C ATOM 156 OG1 THR A 9 -0.194 -7.997 -8.170 1.00 62.23 O ATOM 157 CG2 THR A 9 0.206 -7.942 -5.795 1.00 54.34 C ATOM 0 H THR A 9 -2.127 -6.600 -4.729 1.00 71.53 H new ATOM 0 HA THR A 9 -2.123 -6.169 -7.642 1.00 72.03 H new ATOM 0 HB THR A 9 0.165 -6.253 -7.069 1.00 73.31 H new ATOM 0 HG1 THR A 9 -0.673 -7.582 -8.918 1.00 62.23 H new ATOM 0 HG21 THR A 9 1.252 -8.178 -5.990 1.00 54.34 H new ATOM 0 HG22 THR A 9 0.135 -7.319 -4.903 1.00 54.34 H new ATOM 0 HG23 THR A 9 -0.351 -8.866 -5.638 1.00 54.34 H new ATOM 165 N ASN A 10 -3.182 -8.452 -8.013 1.00 21.44 N ATOM 166 CA ASN A 10 -3.988 -9.677 -8.210 1.00 73.51 C ATOM 167 C ASN A 10 -3.129 -10.948 -7.951 1.00 61.42 C ATOM 168 O ASN A 10 -3.663 -12.019 -7.655 1.00 21.43 O ATOM 169 CB ASN A 10 -4.602 -9.664 -9.633 1.00 12.02 C ATOM 170 CG ASN A 10 -5.475 -10.881 -9.991 1.00 41.13 C ATOM 171 OD1 ASN A 10 -6.053 -11.542 -9.131 1.00 2.13 O ATOM 172 ND2 ASN A 10 -5.616 -11.152 -11.282 1.00 72.35 N ATOM 0 H ASN A 10 -2.980 -7.946 -8.875 1.00 21.44 H new ATOM 0 HA ASN A 10 -4.805 -9.700 -7.489 1.00 73.51 H new ATOM 0 HB2 ASN A 10 -5.205 -8.762 -9.741 1.00 12.02 H new ATOM 0 HB3 ASN A 10 -3.792 -9.594 -10.359 1.00 12.02 H new ATOM 0 HD21 ASN A 10 -6.214 -11.923 -11.579 1.00 72.35 H new ATOM 0 HD22 ASN A 10 -5.126 -10.589 -11.978 1.00 72.35 H new ATOM 179 N ASN A 11 -1.795 -10.799 -8.036 1.00 71.15 N ATOM 180 CA ASN A 11 -0.836 -11.897 -7.800 1.00 70.24 C ATOM 181 C ASN A 11 -0.414 -11.925 -6.322 1.00 43.20 C ATOM 182 O ASN A 11 0.405 -11.111 -5.885 1.00 33.10 O ATOM 183 CB ASN A 11 0.403 -11.728 -8.717 1.00 55.02 C ATOM 184 CG ASN A 11 0.056 -11.785 -10.201 1.00 5.43 C ATOM 185 OD1 ASN A 11 -0.870 -12.488 -10.621 1.00 23.14 O ATOM 186 ND2 ASN A 11 0.783 -11.036 -11.004 1.00 73.24 N ATOM 0 H ASN A 11 -1.349 -9.912 -8.271 1.00 71.15 H new ATOM 0 HA ASN A 11 -1.318 -12.845 -8.039 1.00 70.24 H new ATOM 0 HB2 ASN A 11 0.883 -10.774 -8.498 1.00 55.02 H new ATOM 0 HB3 ASN A 11 1.127 -12.510 -8.488 1.00 55.02 H new ATOM 0 HD21 ASN A 11 0.589 -11.024 -12.005 1.00 73.24 H new ATOM 0 HD22 ASN A 11 1.540 -10.467 -10.625 1.00 73.24 H new ATOM 193 N ASP A 12 -0.998 -12.859 -5.553 1.00 62.50 N ATOM 194 CA ASP A 12 -0.670 -13.061 -4.119 1.00 12.11 C ATOM 195 C ASP A 12 0.791 -13.531 -3.951 1.00 75.33 C ATOM 196 O ASP A 12 1.445 -13.242 -2.942 1.00 45.22 O ATOM 197 CB ASP A 12 -1.638 -14.087 -3.475 1.00 43.24 C ATOM 198 CG ASP A 12 -3.119 -13.711 -3.665 1.00 64.51 C ATOM 199 OD1 ASP A 12 -3.718 -14.118 -4.687 1.00 72.43 O ATOM 200 OD2 ASP A 12 -3.691 -13.011 -2.796 1.00 13.01 O ATOM 0 H ASP A 12 -1.712 -13.499 -5.902 1.00 62.50 H new ATOM 0 HA ASP A 12 -0.787 -12.104 -3.610 1.00 12.11 H new ATOM 0 HB2 ASP A 12 -1.459 -15.071 -3.909 1.00 43.24 H new ATOM 0 HB3 ASP A 12 -1.421 -14.165 -2.410 1.00 43.24 H new ATOM 205 N GLU A 13 1.286 -14.252 -4.974 1.00 25.24 N ATOM 206 CA GLU A 13 2.663 -14.771 -5.030 1.00 71.21 C ATOM 207 C GLU A 13 3.669 -13.614 -5.210 1.00 1.34 C ATOM 208 O GLU A 13 4.768 -13.655 -4.652 1.00 25.33 O ATOM 209 CB GLU A 13 2.814 -15.828 -6.166 1.00 31.14 C ATOM 210 CG GLU A 13 2.089 -17.179 -5.914 1.00 32.15 C ATOM 211 CD GLU A 13 0.566 -17.055 -5.709 1.00 21.13 C ATOM 212 OE1 GLU A 13 -0.157 -16.804 -6.694 1.00 70.14 O ATOM 213 OE2 GLU A 13 0.093 -17.170 -4.557 1.00 21.22 O ATOM 0 H GLU A 13 0.732 -14.493 -5.796 1.00 25.24 H new ATOM 0 HA GLU A 13 2.881 -15.268 -4.085 1.00 71.21 H new ATOM 0 HB2 GLU A 13 2.435 -15.398 -7.093 1.00 31.14 H new ATOM 0 HB3 GLU A 13 3.875 -16.026 -6.317 1.00 31.14 H new ATOM 0 HG2 GLU A 13 2.277 -17.842 -6.759 1.00 32.15 H new ATOM 0 HG3 GLU A 13 2.525 -17.653 -5.034 1.00 32.15 H new ATOM 220 N LEU A 14 3.271 -12.576 -5.976 1.00 52.44 N ATOM 221 CA LEU A 14 4.084 -11.354 -6.149 1.00 42.15 C ATOM 222 C LEU A 14 4.269 -10.640 -4.795 1.00 74.15 C ATOM 223 O LEU A 14 5.356 -10.131 -4.495 1.00 31.31 O ATOM 224 CB LEU A 14 3.425 -10.403 -7.183 1.00 0.00 C ATOM 225 CG LEU A 14 4.105 -9.006 -7.376 1.00 42.22 C ATOM 226 CD1 LEU A 14 5.582 -9.149 -7.798 1.00 63.01 C ATOM 227 CD2 LEU A 14 3.304 -8.131 -8.366 1.00 71.44 C ATOM 0 H LEU A 14 2.388 -12.561 -6.486 1.00 52.44 H new ATOM 0 HA LEU A 14 5.066 -11.640 -6.527 1.00 42.15 H new ATOM 0 HB2 LEU A 14 3.404 -10.909 -8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.389 -10.241 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 14 4.099 -8.496 -6.413 1.00 42.22 H new ATOM 0 HD11 LEU A 14 6.022 -8.160 -7.923 1.00 63.01 H new ATOM 0 HD12 LEU A 14 6.129 -9.695 -7.029 1.00 63.01 H new ATOM 0 HD13 LEU A 14 5.640 -9.693 -8.740 1.00 63.01 H new ATOM 0 HD21 LEU A 14 3.798 -7.167 -8.481 1.00 71.44 H new ATOM 0 HD22 LEU A 14 3.252 -8.630 -9.333 1.00 71.44 H new ATOM 0 HD23 LEU A 14 2.295 -7.978 -7.982 1.00 71.44 H new ATOM 239 N ILE A 15 3.194 -10.639 -3.976 1.00 41.12 N ATOM 240 CA ILE A 15 3.203 -10.032 -2.633 1.00 33.31 C ATOM 241 C ILE A 15 4.243 -10.722 -1.737 1.00 72.24 C ATOM 242 O ILE A 15 4.924 -10.050 -0.975 1.00 22.35 O ATOM 243 CB ILE A 15 1.792 -10.099 -1.936 1.00 60.01 C ATOM 244 CG1 ILE A 15 0.706 -9.485 -2.862 1.00 30.23 C ATOM 245 CG2 ILE A 15 1.816 -9.394 -0.556 1.00 45.43 C ATOM 246 CD1 ILE A 15 -0.732 -9.588 -2.380 1.00 32.55 C ATOM 0 H ILE A 15 2.300 -11.059 -4.230 1.00 41.12 H new ATOM 0 HA ILE A 15 3.464 -8.982 -2.766 1.00 33.31 H new ATOM 0 HB ILE A 15 1.543 -11.146 -1.762 1.00 60.01 H new ATOM 0 HG12 ILE A 15 0.941 -8.431 -3.012 1.00 30.23 H new ATOM 0 HG13 ILE A 15 0.775 -9.969 -3.836 1.00 30.23 H new ATOM 0 HG21 ILE A 15 0.829 -9.456 -0.098 1.00 45.43 H new ATOM 0 HG22 ILE A 15 2.546 -9.882 0.089 1.00 45.43 H new ATOM 0 HG23 ILE A 15 2.090 -8.347 -0.687 1.00 45.43 H new ATOM 0 HD11 ILE A 15 -1.395 -9.124 -3.111 1.00 32.55 H new ATOM 0 HD12 ILE A 15 -1.001 -10.637 -2.260 1.00 32.55 H new ATOM 0 HD13 ILE A 15 -0.832 -9.076 -1.423 1.00 32.55 H new ATOM 258 N LYS A 16 4.379 -12.061 -1.878 1.00 12.10 N ATOM 259 CA LYS A 16 5.359 -12.867 -1.105 1.00 74.50 C ATOM 260 C LYS A 16 6.796 -12.320 -1.269 1.00 22.43 C ATOM 261 O LYS A 16 7.594 -12.340 -0.325 1.00 50.33 O ATOM 262 CB LYS A 16 5.305 -14.358 -1.537 1.00 31.03 C ATOM 263 CG LYS A 16 3.919 -15.013 -1.374 1.00 23.20 C ATOM 264 CD LYS A 16 3.929 -16.528 -1.701 1.00 11.31 C ATOM 265 CE LYS A 16 2.548 -17.173 -1.512 1.00 51.53 C ATOM 266 NZ LYS A 16 2.573 -18.644 -1.692 1.00 42.40 N ATOM 0 H LYS A 16 3.817 -12.613 -2.526 1.00 12.10 H new ATOM 0 HA LYS A 16 5.086 -12.793 -0.052 1.00 74.50 H new ATOM 0 HB2 LYS A 16 5.610 -14.434 -2.581 1.00 31.03 H new ATOM 0 HB3 LYS A 16 6.032 -14.921 -0.951 1.00 31.03 H new ATOM 0 HG2 LYS A 16 3.572 -14.869 -0.351 1.00 23.20 H new ATOM 0 HG3 LYS A 16 3.205 -14.510 -2.026 1.00 23.20 H new ATOM 0 HD2 LYS A 16 4.258 -16.673 -2.730 1.00 11.31 H new ATOM 0 HD3 LYS A 16 4.654 -17.031 -1.061 1.00 11.31 H new ATOM 0 HE2 LYS A 16 2.176 -16.940 -0.514 1.00 51.53 H new ATOM 0 HE3 LYS A 16 1.847 -16.736 -2.223 1.00 51.53 H new ATOM 0 HZ1 LYS A 16 1.616 -19.027 -1.553 1.00 42.40 H new ATOM 0 HZ2 LYS A 16 2.901 -18.871 -2.653 1.00 42.40 H new ATOM 0 HZ3 LYS A 16 3.220 -19.068 -0.996 1.00 42.40 H new ATOM 280 N LYS A 17 7.086 -11.810 -2.479 1.00 74.44 N ATOM 281 CA LYS A 17 8.381 -11.200 -2.812 1.00 13.34 C ATOM 282 C LYS A 17 8.475 -9.781 -2.217 1.00 13.12 C ATOM 283 O LYS A 17 9.490 -9.426 -1.621 1.00 64.34 O ATOM 284 CB LYS A 17 8.564 -11.172 -4.348 1.00 4.23 C ATOM 285 CG LYS A 17 8.392 -12.553 -5.018 1.00 61.55 C ATOM 286 CD LYS A 17 8.652 -12.541 -6.541 1.00 11.24 C ATOM 287 CE LYS A 17 10.099 -12.151 -6.898 1.00 30.32 C ATOM 288 NZ LYS A 17 11.103 -12.981 -6.182 1.00 34.23 N ATOM 0 H LYS A 17 6.424 -11.810 -3.255 1.00 74.44 H new ATOM 0 HA LYS A 17 9.182 -11.798 -2.378 1.00 13.34 H new ATOM 0 HB2 LYS A 17 7.843 -10.477 -4.778 1.00 4.23 H new ATOM 0 HB3 LYS A 17 9.557 -10.786 -4.580 1.00 4.23 H new ATOM 0 HG2 LYS A 17 9.073 -13.262 -4.548 1.00 61.55 H new ATOM 0 HG3 LYS A 17 7.380 -12.913 -4.834 1.00 61.55 H new ATOM 0 HD2 LYS A 17 8.436 -13.528 -6.949 1.00 11.24 H new ATOM 0 HD3 LYS A 17 7.964 -11.842 -7.017 1.00 11.24 H new ATOM 0 HE2 LYS A 17 10.246 -12.255 -7.973 1.00 30.32 H new ATOM 0 HE3 LYS A 17 10.260 -11.101 -6.655 1.00 30.32 H new ATOM 0 HZ1 LYS A 17 12.050 -12.788 -6.565 1.00 34.23 H new ATOM 0 HZ2 LYS A 17 11.086 -12.749 -5.168 1.00 34.23 H new ATOM 0 HZ3 LYS A 17 10.876 -13.988 -6.311 1.00 34.23 H new ATOM 302 N ILE A 18 7.370 -9.000 -2.365 1.00 35.32 N ATOM 303 CA ILE A 18 7.260 -7.598 -1.870 1.00 60.22 C ATOM 304 C ILE A 18 7.465 -7.519 -0.331 1.00 45.12 C ATOM 305 O ILE A 18 8.086 -6.571 0.181 1.00 72.12 O ATOM 306 CB ILE A 18 5.856 -6.976 -2.264 1.00 51.31 C ATOM 307 CG1 ILE A 18 5.700 -6.915 -3.823 1.00 4.20 C ATOM 308 CG2 ILE A 18 5.640 -5.580 -1.629 1.00 31.31 C ATOM 309 CD1 ILE A 18 4.362 -6.412 -4.337 1.00 52.11 C ATOM 0 H ILE A 18 6.525 -9.327 -2.834 1.00 35.32 H new ATOM 0 HA ILE A 18 8.051 -7.019 -2.346 1.00 60.22 H new ATOM 0 HB ILE A 18 5.083 -7.631 -1.863 1.00 51.31 H new ATOM 0 HG12 ILE A 18 6.485 -6.273 -4.222 1.00 4.20 H new ATOM 0 HG13 ILE A 18 5.869 -7.914 -4.225 1.00 4.20 H new ATOM 0 HG21 ILE A 18 4.666 -5.192 -1.926 1.00 31.31 H new ATOM 0 HG22 ILE A 18 5.682 -5.664 -0.543 1.00 31.31 H new ATOM 0 HG23 ILE A 18 6.421 -4.900 -1.971 1.00 31.31 H new ATOM 0 HD11 ILE A 18 4.368 -6.412 -5.427 1.00 52.11 H new ATOM 0 HD12 ILE A 18 3.566 -7.064 -3.978 1.00 52.11 H new ATOM 0 HD13 ILE A 18 4.191 -5.398 -3.975 1.00 52.11 H new ATOM 321 N LYS A 19 6.942 -8.547 0.375 1.00 21.31 N ATOM 322 CA LYS A 19 7.094 -8.718 1.831 1.00 41.32 C ATOM 323 C LYS A 19 8.583 -8.778 2.175 1.00 24.21 C ATOM 324 O LYS A 19 9.076 -7.978 2.960 1.00 62.13 O ATOM 325 CB LYS A 19 6.364 -10.013 2.307 1.00 34.10 C ATOM 326 CG LYS A 19 4.824 -9.982 2.128 1.00 22.14 C ATOM 327 CD LYS A 19 4.145 -11.368 2.295 1.00 4.54 C ATOM 328 CE LYS A 19 4.368 -12.018 3.674 1.00 34.20 C ATOM 329 NZ LYS A 19 3.750 -11.248 4.782 1.00 35.22 N ATOM 0 H LYS A 19 6.395 -9.290 -0.061 1.00 21.31 H new ATOM 0 HA LYS A 19 6.641 -7.871 2.346 1.00 41.32 H new ATOM 0 HB2 LYS A 19 6.765 -10.864 1.757 1.00 34.10 H new ATOM 0 HB3 LYS A 19 6.592 -10.178 3.360 1.00 34.10 H new ATOM 0 HG2 LYS A 19 4.397 -9.289 2.853 1.00 22.14 H new ATOM 0 HG3 LYS A 19 4.591 -9.591 1.138 1.00 22.14 H new ATOM 0 HD2 LYS A 19 3.074 -11.258 2.127 1.00 4.54 H new ATOM 0 HD3 LYS A 19 4.522 -12.040 1.524 1.00 4.54 H new ATOM 0 HE2 LYS A 19 3.956 -13.027 3.665 1.00 34.20 H new ATOM 0 HE3 LYS A 19 5.438 -12.112 3.857 1.00 34.20 H new ATOM 0 HZ1 LYS A 19 3.504 -11.894 5.559 1.00 35.22 H new ATOM 0 HZ2 LYS A 19 4.423 -10.533 5.126 1.00 35.22 H new ATOM 0 HZ3 LYS A 19 2.889 -10.776 4.439 1.00 35.22 H new ATOM 343 N LYS A 20 9.298 -9.684 1.489 1.00 43.43 N ATOM 344 CA LYS A 20 10.733 -9.923 1.717 1.00 13.14 C ATOM 345 C LYS A 20 11.606 -8.719 1.308 1.00 51.14 C ATOM 346 O LYS A 20 12.703 -8.557 1.850 1.00 10.01 O ATOM 347 CB LYS A 20 11.171 -11.224 0.990 1.00 13.31 C ATOM 348 CG LYS A 20 10.714 -12.518 1.706 1.00 32.11 C ATOM 349 CD LYS A 20 11.470 -12.739 3.049 1.00 22.35 C ATOM 350 CE LYS A 20 10.875 -13.872 3.903 1.00 32.43 C ATOM 351 NZ LYS A 20 9.508 -13.536 4.374 1.00 45.43 N ATOM 0 H LYS A 20 8.897 -10.273 0.759 1.00 43.43 H new ATOM 0 HA LYS A 20 10.886 -10.050 2.789 1.00 13.14 H new ATOM 0 HB2 LYS A 20 10.768 -11.218 -0.023 1.00 13.31 H new ATOM 0 HB3 LYS A 20 12.257 -11.232 0.901 1.00 13.31 H new ATOM 0 HG2 LYS A 20 9.642 -12.467 1.897 1.00 32.11 H new ATOM 0 HG3 LYS A 20 10.881 -13.373 1.051 1.00 32.11 H new ATOM 0 HD2 LYS A 20 12.515 -12.964 2.837 1.00 22.35 H new ATOM 0 HD3 LYS A 20 11.454 -11.813 3.624 1.00 22.35 H new ATOM 0 HE2 LYS A 20 10.844 -14.792 3.319 1.00 32.43 H new ATOM 0 HE3 LYS A 20 11.521 -14.060 4.761 1.00 32.43 H new ATOM 0 HZ1 LYS A 20 9.300 -14.066 5.244 1.00 45.43 H new ATOM 0 HZ2 LYS A 20 9.449 -12.516 4.568 1.00 45.43 H new ATOM 0 HZ3 LYS A 20 8.816 -13.790 3.640 1.00 45.43 H new ATOM 365 N GLU A 21 11.123 -7.890 0.356 1.00 33.55 N ATOM 366 CA GLU A 21 11.793 -6.625 -0.024 1.00 45.32 C ATOM 367 C GLU A 21 11.811 -5.652 1.171 1.00 12.24 C ATOM 368 O GLU A 21 12.876 -5.199 1.613 1.00 20.11 O ATOM 369 CB GLU A 21 11.071 -5.951 -1.239 1.00 14.21 C ATOM 370 CG GLU A 21 11.055 -6.782 -2.540 1.00 1.40 C ATOM 371 CD GLU A 21 12.456 -7.062 -3.104 1.00 31.42 C ATOM 372 OE1 GLU A 21 13.007 -6.189 -3.804 1.00 70.33 O ATOM 373 OE2 GLU A 21 13.010 -8.158 -2.859 1.00 3.40 O ATOM 0 H GLU A 21 10.267 -8.076 -0.166 1.00 33.55 H new ATOM 0 HA GLU A 21 12.817 -6.861 -0.315 1.00 45.32 H new ATOM 0 HB2 GLU A 21 10.042 -5.733 -0.954 1.00 14.21 H new ATOM 0 HB3 GLU A 21 11.554 -4.996 -1.443 1.00 14.21 H new ATOM 0 HG2 GLU A 21 10.552 -7.730 -2.350 1.00 1.40 H new ATOM 0 HG3 GLU A 21 10.468 -6.255 -3.292 1.00 1.40 H new ATOM 380 N VAL A 22 10.620 -5.379 1.717 1.00 1.12 N ATOM 381 CA VAL A 22 10.435 -4.340 2.746 1.00 60.11 C ATOM 382 C VAL A 22 10.949 -4.777 4.143 1.00 73.52 C ATOM 383 O VAL A 22 11.382 -3.930 4.936 1.00 2.22 O ATOM 384 CB VAL A 22 8.933 -3.889 2.837 1.00 72.32 C ATOM 385 CG1 VAL A 22 8.436 -3.308 1.499 1.00 14.51 C ATOM 386 CG2 VAL A 22 8.021 -5.037 3.321 1.00 34.42 C ATOM 0 H VAL A 22 9.761 -5.866 1.463 1.00 1.12 H new ATOM 0 HA VAL A 22 11.041 -3.491 2.430 1.00 60.11 H new ATOM 0 HB VAL A 22 8.881 -3.095 3.582 1.00 72.32 H new ATOM 0 HG11 VAL A 22 7.393 -3.006 1.598 1.00 14.51 H new ATOM 0 HG12 VAL A 22 9.041 -2.441 1.232 1.00 14.51 H new ATOM 0 HG13 VAL A 22 8.522 -4.065 0.719 1.00 14.51 H new ATOM 0 HG21 VAL A 22 6.990 -4.686 3.371 1.00 34.42 H new ATOM 0 HG22 VAL A 22 8.087 -5.872 2.624 1.00 34.42 H new ATOM 0 HG23 VAL A 22 8.341 -5.364 4.310 1.00 34.42 H new ATOM 396 N GLU A 23 10.918 -6.097 4.434 1.00 11.21 N ATOM 397 CA GLU A 23 11.314 -6.644 5.758 1.00 31.02 C ATOM 398 C GLU A 23 12.810 -6.410 6.070 1.00 41.11 C ATOM 399 O GLU A 23 13.198 -6.430 7.240 1.00 70.34 O ATOM 400 CB GLU A 23 10.938 -8.152 5.872 1.00 3.44 C ATOM 401 CG GLU A 23 9.415 -8.402 5.989 1.00 41.53 C ATOM 402 CD GLU A 23 9.027 -9.894 6.022 1.00 11.03 C ATOM 403 OE1 GLU A 23 9.174 -10.584 4.990 1.00 32.41 O ATOM 404 OE2 GLU A 23 8.580 -10.391 7.085 1.00 53.24 O ATOM 0 H GLU A 23 10.621 -6.810 3.767 1.00 11.21 H new ATOM 0 HA GLU A 23 10.751 -6.095 6.512 1.00 31.02 H new ATOM 0 HB2 GLU A 23 11.319 -8.680 4.998 1.00 3.44 H new ATOM 0 HB3 GLU A 23 11.436 -8.577 6.743 1.00 3.44 H new ATOM 0 HG2 GLU A 23 9.046 -7.921 6.895 1.00 41.53 H new ATOM 0 HG3 GLU A 23 8.913 -7.925 5.148 1.00 41.53 H new ATOM 411 N ASN A 24 13.633 -6.165 5.022 1.00 2.51 N ATOM 412 CA ASN A 24 15.051 -5.751 5.185 1.00 4.01 C ATOM 413 C ASN A 24 15.152 -4.432 5.981 1.00 13.40 C ATOM 414 O ASN A 24 16.007 -4.288 6.863 1.00 23.33 O ATOM 415 CB ASN A 24 15.762 -5.588 3.808 1.00 2.14 C ATOM 416 CG ASN A 24 15.947 -6.911 3.071 1.00 21.32 C ATOM 417 OD1 ASN A 24 16.929 -7.621 3.279 1.00 32.15 O ATOM 418 ND2 ASN A 24 15.020 -7.250 2.202 1.00 24.43 N ATOM 0 H ASN A 24 13.338 -6.247 4.049 1.00 2.51 H new ATOM 0 HA ASN A 24 15.554 -6.542 5.741 1.00 4.01 H new ATOM 0 HB2 ASN A 24 15.181 -4.909 3.184 1.00 2.14 H new ATOM 0 HB3 ASN A 24 16.737 -5.125 3.961 1.00 2.14 H new ATOM 0 HD21 ASN A 24 15.105 -8.122 1.680 1.00 24.43 H new ATOM 0 HD22 ASN A 24 14.216 -6.641 2.050 1.00 24.43 H new ATOM 425 N GLN A 25 14.244 -3.487 5.674 1.00 70.30 N ATOM 426 CA GLN A 25 14.219 -2.151 6.304 1.00 62.01 C ATOM 427 C GLN A 25 13.311 -2.130 7.547 1.00 54.43 C ATOM 428 O GLN A 25 13.046 -1.062 8.106 1.00 33.22 O ATOM 429 CB GLN A 25 13.759 -1.094 5.268 1.00 23.41 C ATOM 430 CG GLN A 25 14.597 -1.075 3.978 1.00 21.12 C ATOM 431 CD GLN A 25 16.071 -0.686 4.169 1.00 42.05 C ATOM 432 OE1 GLN A 25 16.943 -1.181 3.455 1.00 34.12 O ATOM 433 NE2 GLN A 25 16.363 0.236 5.086 1.00 10.45 N ATOM 0 H GLN A 25 13.507 -3.627 4.983 1.00 70.30 H new ATOM 0 HA GLN A 25 15.228 -1.909 6.638 1.00 62.01 H new ATOM 0 HB2 GLN A 25 12.717 -1.283 5.009 1.00 23.41 H new ATOM 0 HB3 GLN A 25 13.799 -0.107 5.729 1.00 23.41 H new ATOM 0 HG2 GLN A 25 14.554 -2.063 3.520 1.00 21.12 H new ATOM 0 HG3 GLN A 25 14.140 -0.377 3.276 1.00 21.12 H new ATOM 0 HE21 GLN A 25 15.623 0.631 5.666 1.00 10.45 H new ATOM 0 HE22 GLN A 25 17.327 0.546 5.208 1.00 10.45 H new ATOM 442 N GLY A 26 12.831 -3.317 7.959 1.00 20.40 N ATOM 443 CA GLY A 26 12.105 -3.476 9.214 1.00 40.23 C ATOM 444 C GLY A 26 10.641 -3.081 9.145 1.00 13.11 C ATOM 445 O GLY A 26 10.063 -2.694 10.167 1.00 54.41 O ATOM 0 H GLY A 26 12.939 -4.182 7.430 1.00 20.40 H new ATOM 0 HA2 GLY A 26 12.174 -4.517 9.530 1.00 40.23 H new ATOM 0 HA3 GLY A 26 12.595 -2.877 9.982 1.00 40.23 H new ATOM 449 N TYR A 27 10.030 -3.177 7.948 1.00 11.24 N ATOM 450 CA TYR A 27 8.575 -2.974 7.778 1.00 52.21 C ATOM 451 C TYR A 27 7.811 -4.145 8.413 1.00 14.44 C ATOM 452 O TYR A 27 8.120 -5.314 8.140 1.00 40.11 O ATOM 453 CB TYR A 27 8.178 -2.867 6.281 1.00 63.31 C ATOM 454 CG TYR A 27 8.578 -1.561 5.583 1.00 23.31 C ATOM 455 CD1 TYR A 27 9.915 -1.268 5.301 1.00 61.41 C ATOM 456 CD2 TYR A 27 7.614 -0.639 5.170 1.00 45.15 C ATOM 457 CE1 TYR A 27 10.274 -0.111 4.649 1.00 5.24 C ATOM 458 CE2 TYR A 27 7.975 0.524 4.524 1.00 63.22 C ATOM 459 CZ TYR A 27 9.304 0.778 4.264 1.00 33.55 C ATOM 460 OH TYR A 27 9.664 1.931 3.619 1.00 54.20 O ATOM 0 H TYR A 27 10.522 -3.394 7.081 1.00 11.24 H new ATOM 0 HA TYR A 27 8.315 -2.037 8.270 1.00 52.21 H new ATOM 0 HB2 TYR A 27 8.631 -3.700 5.743 1.00 63.31 H new ATOM 0 HB3 TYR A 27 7.097 -2.985 6.200 1.00 63.31 H new ATOM 0 HD1 TYR A 27 10.683 -1.965 5.601 1.00 61.41 H new ATOM 0 HD2 TYR A 27 6.570 -0.840 5.360 1.00 45.15 H new ATOM 0 HE1 TYR A 27 11.314 0.096 4.442 1.00 5.24 H new ATOM 0 HE2 TYR A 27 7.219 1.234 4.223 1.00 63.22 H new ATOM 0 HH TYR A 27 8.873 2.336 3.206 1.00 54.20 H new ATOM 470 N GLN A 28 6.829 -3.819 9.262 1.00 3.43 N ATOM 471 CA GLN A 28 5.890 -4.801 9.792 1.00 71.44 C ATOM 472 C GLN A 28 4.830 -5.061 8.716 1.00 53.53 C ATOM 473 O GLN A 28 4.032 -4.176 8.405 1.00 0.42 O ATOM 474 CB GLN A 28 5.216 -4.248 11.075 1.00 4.51 C ATOM 475 CG GLN A 28 4.186 -5.200 11.724 1.00 2.44 C ATOM 476 CD GLN A 28 3.387 -4.580 12.873 1.00 65.45 C ATOM 477 OE1 GLN A 28 3.106 -3.286 12.798 1.00 11.14 O flip ATOM 478 NE2 GLN A 28 2.991 -5.275 13.816 1.00 33.51 N flip ATOM 0 H GLN A 28 6.668 -2.869 9.597 1.00 3.43 H new ATOM 0 HA GLN A 28 6.408 -5.725 10.048 1.00 71.44 H new ATOM 0 HB2 GLN A 28 5.991 -4.020 11.807 1.00 4.51 H new ATOM 0 HB3 GLN A 28 4.720 -3.308 10.832 1.00 4.51 H new ATOM 0 HG2 GLN A 28 3.491 -5.541 10.957 1.00 2.44 H new ATOM 0 HG3 GLN A 28 4.708 -6.082 12.095 1.00 2.44 H new ATOM 0 HE21 GLN A 28 3.221 -6.268 13.849 1.00 33.51 H new ATOM 0 HE22 GLN A 28 2.434 -4.855 14.560 1.00 33.51 H new ATOM 487 N VAL A 29 4.837 -6.264 8.141 1.00 73.35 N ATOM 488 CA VAL A 29 3.844 -6.661 7.142 1.00 65.10 C ATOM 489 C VAL A 29 2.662 -7.302 7.857 1.00 42.05 C ATOM 490 O VAL A 29 2.838 -8.312 8.550 1.00 71.23 O ATOM 491 CB VAL A 29 4.397 -7.680 6.082 1.00 13.04 C ATOM 492 CG1 VAL A 29 3.329 -7.950 4.985 1.00 3.34 C ATOM 493 CG2 VAL A 29 5.739 -7.203 5.474 1.00 34.30 C ATOM 0 H VAL A 29 5.526 -6.986 8.352 1.00 73.35 H new ATOM 0 HA VAL A 29 3.556 -5.759 6.602 1.00 65.10 H new ATOM 0 HB VAL A 29 4.604 -8.621 6.591 1.00 13.04 H new ATOM 0 HG11 VAL A 29 3.726 -8.658 4.257 1.00 3.34 H new ATOM 0 HG12 VAL A 29 2.433 -8.366 5.445 1.00 3.34 H new ATOM 0 HG13 VAL A 29 3.079 -7.015 4.483 1.00 3.34 H new ATOM 0 HG21 VAL A 29 6.089 -7.935 4.746 1.00 34.30 H new ATOM 0 HG22 VAL A 29 5.594 -6.241 4.982 1.00 34.30 H new ATOM 0 HG23 VAL A 29 6.480 -7.097 6.266 1.00 34.30 H new ATOM 503 N ARG A 30 1.472 -6.716 7.716 1.00 21.33 N ATOM 504 CA ARG A 30 0.239 -7.373 8.145 1.00 3.40 C ATOM 505 C ARG A 30 -0.624 -7.608 6.901 1.00 14.21 C ATOM 506 O ARG A 30 -0.929 -6.679 6.140 1.00 2.31 O ATOM 507 CB ARG A 30 -0.497 -6.572 9.258 1.00 73.12 C ATOM 508 CG ARG A 30 -1.355 -7.459 10.208 1.00 71.31 C ATOM 509 CD ARG A 30 -2.643 -8.016 9.565 1.00 0.31 C ATOM 510 NE ARG A 30 -3.295 -9.008 10.431 1.00 34.33 N ATOM 511 CZ ARG A 30 -4.594 -9.038 10.750 1.00 23.43 C ATOM 512 NH1 ARG A 30 -5.446 -8.116 10.302 1.00 15.24 N ATOM 513 NH2 ARG A 30 -5.039 -10.019 11.512 1.00 12.32 N ATOM 0 H ARG A 30 1.337 -5.790 7.309 1.00 21.33 H new ATOM 0 HA ARG A 30 0.467 -8.333 8.607 1.00 3.40 H new ATOM 0 HB2 ARG A 30 0.240 -6.029 9.850 1.00 73.12 H new ATOM 0 HB3 ARG A 30 -1.141 -5.827 8.791 1.00 73.12 H new ATOM 0 HG2 ARG A 30 -0.746 -8.294 10.556 1.00 71.31 H new ATOM 0 HG3 ARG A 30 -1.625 -6.874 11.087 1.00 71.31 H new ATOM 0 HD2 ARG A 30 -3.334 -7.197 9.365 1.00 0.31 H new ATOM 0 HD3 ARG A 30 -2.403 -8.472 8.605 1.00 0.31 H new ATOM 0 HE ARG A 30 -2.704 -9.740 10.825 1.00 34.33 H new ATOM 0 HH11 ARG A 30 -5.113 -7.363 9.700 1.00 15.24 H new ATOM 0 HH12 ARG A 30 -6.431 -8.163 10.561 1.00 15.24 H new ATOM 0 HH21 ARG A 30 -4.396 -10.737 11.847 1.00 12.32 H new ATOM 0 HH22 ARG A 30 -6.026 -10.060 11.766 1.00 12.32 H new ATOM 527 N ASP A 31 -0.990 -8.873 6.712 1.00 2.54 N ATOM 528 CA ASP A 31 -1.711 -9.359 5.544 1.00 63.23 C ATOM 529 C ASP A 31 -3.221 -9.299 5.825 1.00 45.41 C ATOM 530 O ASP A 31 -3.725 -10.020 6.693 1.00 71.25 O ATOM 531 CB ASP A 31 -1.232 -10.805 5.235 1.00 73.15 C ATOM 532 CG ASP A 31 0.305 -10.888 5.060 1.00 64.42 C ATOM 533 OD1 ASP A 31 1.025 -11.043 6.073 1.00 1.44 O ATOM 534 OD2 ASP A 31 0.809 -10.782 3.917 1.00 75.13 O ATOM 0 H ASP A 31 -0.786 -9.608 7.389 1.00 2.54 H new ATOM 0 HA ASP A 31 -1.512 -8.739 4.670 1.00 63.23 H new ATOM 0 HB2 ASP A 31 -1.540 -11.468 6.043 1.00 73.15 H new ATOM 0 HB3 ASP A 31 -1.719 -11.161 4.327 1.00 73.15 H new ATOM 539 N VAL A 32 -3.925 -8.404 5.109 1.00 55.22 N ATOM 540 CA VAL A 32 -5.375 -8.181 5.275 1.00 0.12 C ATOM 541 C VAL A 32 -6.158 -9.128 4.352 1.00 12.25 C ATOM 542 O VAL A 32 -6.055 -9.038 3.123 1.00 21.32 O ATOM 543 CB VAL A 32 -5.760 -6.675 5.002 1.00 11.33 C ATOM 544 CG1 VAL A 32 -7.299 -6.453 4.990 1.00 44.13 C ATOM 545 CG2 VAL A 32 -5.075 -5.758 6.048 1.00 62.23 C ATOM 0 H VAL A 32 -3.503 -7.811 4.395 1.00 55.22 H new ATOM 0 HA VAL A 32 -5.642 -8.399 6.309 1.00 0.12 H new ATOM 0 HB VAL A 32 -5.400 -6.414 4.007 1.00 11.33 H new ATOM 0 HG11 VAL A 32 -7.513 -5.402 4.798 1.00 44.13 H new ATOM 0 HG12 VAL A 32 -7.749 -7.064 4.207 1.00 44.13 H new ATOM 0 HG13 VAL A 32 -7.715 -6.738 5.956 1.00 44.13 H new ATOM 0 HG21 VAL A 32 -5.345 -4.720 5.854 1.00 62.23 H new ATOM 0 HG22 VAL A 32 -5.405 -6.038 7.049 1.00 62.23 H new ATOM 0 HG23 VAL A 32 -3.993 -5.871 5.978 1.00 62.23 H new ATOM 555 N ASN A 33 -6.922 -10.040 4.972 1.00 12.30 N ATOM 556 CA ASN A 33 -7.666 -11.104 4.265 1.00 1.14 C ATOM 557 C ASN A 33 -9.134 -10.709 4.028 1.00 62.15 C ATOM 558 O ASN A 33 -9.790 -11.279 3.152 1.00 65.24 O ATOM 559 CB ASN A 33 -7.593 -12.421 5.082 1.00 63.33 C ATOM 560 CG ASN A 33 -6.160 -12.866 5.398 1.00 52.03 C ATOM 561 OD1 ASN A 33 -5.209 -12.555 4.675 1.00 71.30 O ATOM 562 ND2 ASN A 33 -5.999 -13.614 6.475 1.00 60.20 N ATOM 0 H ASN A 33 -7.044 -10.064 5.984 1.00 12.30 H new ATOM 0 HA ASN A 33 -7.203 -11.250 3.289 1.00 1.14 H new ATOM 0 HB2 ASN A 33 -8.139 -12.290 6.016 1.00 63.33 H new ATOM 0 HB3 ASN A 33 -8.097 -13.212 4.527 1.00 63.33 H new ATOM 0 HD21 ASN A 33 -5.070 -13.951 6.728 1.00 60.20 H new ATOM 0 HD22 ASN A 33 -6.804 -13.855 7.054 1.00 60.20 H new ATOM 569 N ASP A 34 -9.635 -9.722 4.797 1.00 21.12 N ATOM 570 CA ASP A 34 -11.069 -9.356 4.796 1.00 21.23 C ATOM 571 C ASP A 34 -11.260 -7.926 5.350 1.00 24.02 C ATOM 572 O ASP A 34 -10.309 -7.320 5.851 1.00 65.11 O ATOM 573 CB ASP A 34 -11.868 -10.408 5.636 1.00 4.32 C ATOM 574 CG ASP A 34 -13.400 -10.283 5.499 1.00 63.10 C ATOM 575 OD1 ASP A 34 -13.937 -10.656 4.437 1.00 35.20 O ATOM 576 OD2 ASP A 34 -14.063 -9.780 6.434 1.00 32.10 O ATOM 0 H ASP A 34 -9.066 -9.160 5.430 1.00 21.12 H new ATOM 0 HA ASP A 34 -11.451 -9.363 3.775 1.00 21.23 H new ATOM 0 HB2 ASP A 34 -11.566 -11.409 5.329 1.00 4.32 H new ATOM 0 HB3 ASP A 34 -11.597 -10.302 6.686 1.00 4.32 H new ATOM 581 N SER A 35 -12.498 -7.397 5.237 1.00 41.12 N ATOM 582 CA SER A 35 -12.909 -6.102 5.818 1.00 24.12 C ATOM 583 C SER A 35 -12.778 -6.103 7.360 1.00 31.43 C ATOM 584 O SER A 35 -12.562 -5.050 7.974 1.00 2.41 O ATOM 585 CB SER A 35 -14.360 -5.781 5.398 1.00 75.24 C ATOM 586 OG SER A 35 -14.801 -4.542 5.913 1.00 51.44 O ATOM 0 H SER A 35 -13.250 -7.865 4.732 1.00 41.12 H new ATOM 0 HA SER A 35 -12.243 -5.329 5.435 1.00 24.12 H new ATOM 0 HB2 SER A 35 -14.427 -5.765 4.310 1.00 75.24 H new ATOM 0 HB3 SER A 35 -15.022 -6.574 5.747 1.00 75.24 H new ATOM 0 HG SER A 35 -15.722 -4.376 5.623 1.00 51.44 H new ATOM 592 N ASP A 36 -12.922 -7.302 7.958 1.00 12.23 N ATOM 593 CA ASP A 36 -12.626 -7.548 9.375 1.00 53.14 C ATOM 594 C ASP A 36 -11.159 -7.198 9.662 1.00 21.24 C ATOM 595 O ASP A 36 -10.868 -6.376 10.531 1.00 5.24 O ATOM 596 CB ASP A 36 -12.906 -9.037 9.727 1.00 42.01 C ATOM 597 CG ASP A 36 -12.445 -9.421 11.148 1.00 25.43 C ATOM 598 OD1 ASP A 36 -13.160 -9.100 12.114 1.00 21.24 O ATOM 599 OD2 ASP A 36 -11.363 -10.034 11.299 1.00 31.53 O ATOM 0 H ASP A 36 -13.250 -8.131 7.463 1.00 12.23 H new ATOM 0 HA ASP A 36 -13.268 -6.920 9.992 1.00 53.14 H new ATOM 0 HB2 ASP A 36 -13.974 -9.231 9.633 1.00 42.01 H new ATOM 0 HB3 ASP A 36 -12.401 -9.676 9.003 1.00 42.01 H new ATOM 604 N GLU A 37 -10.257 -7.793 8.870 1.00 11.22 N ATOM 605 CA GLU A 37 -8.799 -7.601 9.004 1.00 12.34 C ATOM 606 C GLU A 37 -8.376 -6.164 8.659 1.00 54.44 C ATOM 607 O GLU A 37 -7.302 -5.724 9.064 1.00 34.13 O ATOM 608 CB GLU A 37 -8.066 -8.633 8.107 1.00 4.05 C ATOM 609 CG GLU A 37 -8.372 -10.109 8.462 1.00 4.41 C ATOM 610 CD GLU A 37 -7.713 -10.612 9.771 1.00 23.23 C ATOM 611 OE1 GLU A 37 -8.011 -10.076 10.877 1.00 64.54 O ATOM 612 OE2 GLU A 37 -6.871 -11.531 9.705 1.00 32.24 O ATOM 0 H GLU A 37 -10.516 -8.425 8.113 1.00 11.22 H new ATOM 0 HA GLU A 37 -8.520 -7.764 10.045 1.00 12.34 H new ATOM 0 HB2 GLU A 37 -8.342 -8.456 7.068 1.00 4.05 H new ATOM 0 HB3 GLU A 37 -6.991 -8.467 8.184 1.00 4.05 H new ATOM 0 HG2 GLU A 37 -9.452 -10.232 8.545 1.00 4.41 H new ATOM 0 HG3 GLU A 37 -8.041 -10.742 7.639 1.00 4.41 H new ATOM 619 N LEU A 38 -9.236 -5.452 7.905 1.00 71.24 N ATOM 620 CA LEU A 38 -9.053 -4.028 7.592 1.00 10.12 C ATOM 621 C LEU A 38 -9.236 -3.180 8.858 1.00 70.14 C ATOM 622 O LEU A 38 -8.323 -2.459 9.255 1.00 32.53 O ATOM 623 CB LEU A 38 -10.057 -3.580 6.491 1.00 52.23 C ATOM 624 CG LEU A 38 -10.018 -2.063 6.109 1.00 11.12 C ATOM 625 CD1 LEU A 38 -8.658 -1.682 5.514 1.00 70.44 C ATOM 626 CD2 LEU A 38 -11.174 -1.679 5.160 1.00 64.32 C ATOM 0 H LEU A 38 -10.080 -5.854 7.496 1.00 71.24 H new ATOM 0 HA LEU A 38 -8.041 -3.882 7.216 1.00 10.12 H new ATOM 0 HB2 LEU A 38 -9.867 -4.166 5.592 1.00 52.23 H new ATOM 0 HB3 LEU A 38 -11.065 -3.825 6.824 1.00 52.23 H new ATOM 0 HG LEU A 38 -10.156 -1.492 7.027 1.00 11.12 H new ATOM 0 HD11 LEU A 38 -8.657 -0.623 5.257 1.00 70.44 H new ATOM 0 HD12 LEU A 38 -7.873 -1.879 6.244 1.00 70.44 H new ATOM 0 HD13 LEU A 38 -8.475 -2.273 4.617 1.00 70.44 H new ATOM 0 HD21 LEU A 38 -11.110 -0.618 4.920 1.00 64.32 H new ATOM 0 HD22 LEU A 38 -11.102 -2.264 4.243 1.00 64.32 H new ATOM 0 HD23 LEU A 38 -12.128 -1.884 5.647 1.00 64.32 H new ATOM 638 N LYS A 39 -10.429 -3.294 9.496 1.00 24.03 N ATOM 639 CA LYS A 39 -10.785 -2.480 10.674 1.00 14.52 C ATOM 640 C LYS A 39 -9.891 -2.828 11.889 1.00 34.43 C ATOM 641 O LYS A 39 -9.610 -1.957 12.730 1.00 34.30 O ATOM 642 CB LYS A 39 -12.319 -2.583 10.978 1.00 23.23 C ATOM 643 CG LYS A 39 -12.883 -3.992 11.319 1.00 32.41 C ATOM 644 CD LYS A 39 -12.723 -4.376 12.816 1.00 74.41 C ATOM 645 CE LYS A 39 -13.183 -5.801 13.128 1.00 41.32 C ATOM 646 NZ LYS A 39 -13.052 -6.110 14.573 1.00 31.14 N ATOM 0 H LYS A 39 -11.159 -3.946 9.209 1.00 24.03 H new ATOM 0 HA LYS A 39 -10.586 -1.432 10.450 1.00 14.52 H new ATOM 0 HB2 LYS A 39 -12.543 -1.918 11.812 1.00 23.23 H new ATOM 0 HB3 LYS A 39 -12.861 -2.202 10.112 1.00 23.23 H new ATOM 0 HG2 LYS A 39 -13.940 -4.026 11.054 1.00 32.41 H new ATOM 0 HG3 LYS A 39 -12.376 -4.736 10.705 1.00 32.41 H new ATOM 0 HD2 LYS A 39 -11.677 -4.269 13.101 1.00 74.41 H new ATOM 0 HD3 LYS A 39 -13.293 -3.676 13.426 1.00 74.41 H new ATOM 0 HE2 LYS A 39 -14.222 -5.925 12.821 1.00 41.32 H new ATOM 0 HE3 LYS A 39 -12.593 -6.510 12.548 1.00 41.32 H new ATOM 0 HZ1 LYS A 39 -13.372 -7.083 14.750 1.00 31.14 H new ATOM 0 HZ2 LYS A 39 -12.057 -6.015 14.859 1.00 31.14 H new ATOM 0 HZ3 LYS A 39 -13.635 -5.448 15.124 1.00 31.14 H new ATOM 660 N LYS A 40 -9.437 -4.104 11.939 1.00 74.14 N ATOM 661 CA LYS A 40 -8.432 -4.594 12.906 1.00 50.50 C ATOM 662 C LYS A 40 -7.149 -3.760 12.828 1.00 10.30 C ATOM 663 O LYS A 40 -6.559 -3.408 13.856 1.00 2.04 O ATOM 664 CB LYS A 40 -8.114 -6.094 12.617 1.00 55.41 C ATOM 665 CG LYS A 40 -9.231 -7.090 13.040 1.00 70.32 C ATOM 666 CD LYS A 40 -9.178 -7.462 14.535 1.00 75.31 C ATOM 667 CE LYS A 40 -7.906 -8.263 14.881 1.00 72.00 C ATOM 668 NZ LYS A 40 -7.792 -9.505 14.063 1.00 52.55 N ATOM 0 H LYS A 40 -9.764 -4.828 11.300 1.00 74.14 H new ATOM 0 HA LYS A 40 -8.840 -4.497 13.912 1.00 50.50 H new ATOM 0 HB2 LYS A 40 -7.926 -6.212 11.550 1.00 55.41 H new ATOM 0 HB3 LYS A 40 -7.193 -6.362 13.134 1.00 55.41 H new ATOM 0 HG2 LYS A 40 -10.204 -6.652 12.815 1.00 70.32 H new ATOM 0 HG3 LYS A 40 -9.145 -7.998 12.443 1.00 70.32 H new ATOM 0 HD2 LYS A 40 -9.211 -6.554 15.137 1.00 75.31 H new ATOM 0 HD3 LYS A 40 -10.059 -8.049 14.795 1.00 75.31 H new ATOM 0 HE2 LYS A 40 -7.028 -7.638 14.717 1.00 72.00 H new ATOM 0 HE3 LYS A 40 -7.918 -8.525 15.939 1.00 72.00 H new ATOM 0 HZ1 LYS A 40 -7.070 -10.128 14.477 1.00 52.55 H new ATOM 0 HZ2 LYS A 40 -8.708 -9.997 14.050 1.00 52.55 H new ATOM 0 HZ3 LYS A 40 -7.518 -9.257 13.091 1.00 52.55 H new ATOM 682 N GLU A 41 -6.729 -3.455 11.591 1.00 30.03 N ATOM 683 CA GLU A 41 -5.529 -2.661 11.334 1.00 50.13 C ATOM 684 C GLU A 41 -5.786 -1.167 11.482 1.00 63.42 C ATOM 685 O GLU A 41 -4.860 -0.426 11.773 1.00 71.13 O ATOM 686 CB GLU A 41 -4.931 -2.998 9.948 1.00 34.42 C ATOM 687 CG GLU A 41 -4.419 -4.446 9.856 1.00 53.11 C ATOM 688 CD GLU A 41 -3.513 -4.826 11.049 1.00 62.41 C ATOM 689 OE1 GLU A 41 -2.384 -4.297 11.142 1.00 22.15 O ATOM 690 OE2 GLU A 41 -3.927 -5.649 11.904 1.00 61.11 O ATOM 0 H GLU A 41 -7.214 -3.754 10.745 1.00 30.03 H new ATOM 0 HA GLU A 41 -4.794 -2.929 12.093 1.00 50.13 H new ATOM 0 HB2 GLU A 41 -5.689 -2.836 9.181 1.00 34.42 H new ATOM 0 HB3 GLU A 41 -4.110 -2.313 9.735 1.00 34.42 H new ATOM 0 HG2 GLU A 41 -5.269 -5.127 9.817 1.00 53.11 H new ATOM 0 HG3 GLU A 41 -3.864 -4.574 8.926 1.00 53.11 H new ATOM 697 N MET A 42 -7.046 -0.727 11.308 1.00 31.22 N ATOM 698 CA MET A 42 -7.417 0.684 11.538 1.00 64.24 C ATOM 699 C MET A 42 -7.296 1.041 13.034 1.00 1.23 C ATOM 700 O MET A 42 -7.075 2.204 13.376 1.00 50.33 O ATOM 701 CB MET A 42 -8.835 1.006 11.006 1.00 52.53 C ATOM 702 CG MET A 42 -9.009 0.772 9.493 1.00 51.33 C ATOM 703 SD MET A 42 -7.693 1.510 8.488 1.00 5.40 S ATOM 704 CE MET A 42 -7.779 3.245 8.930 1.00 74.11 C ATOM 0 H MET A 42 -7.820 -1.322 11.011 1.00 31.22 H new ATOM 0 HA MET A 42 -6.716 1.301 10.976 1.00 64.24 H new ATOM 0 HB2 MET A 42 -9.560 0.394 11.543 1.00 52.53 H new ATOM 0 HB3 MET A 42 -9.068 2.047 11.231 1.00 52.53 H new ATOM 0 HG2 MET A 42 -9.043 -0.300 9.301 1.00 51.33 H new ATOM 0 HG3 MET A 42 -9.968 1.183 9.178 1.00 51.33 H new ATOM 0 HE1 MET A 42 -7.669 3.855 8.033 1.00 74.11 H new ATOM 0 HE2 MET A 42 -8.742 3.455 9.395 1.00 74.11 H new ATOM 0 HE3 MET A 42 -6.978 3.482 9.631 1.00 74.11 H new ATOM 714 N LYS A 43 -7.468 0.028 13.911 1.00 65.42 N ATOM 715 CA LYS A 43 -7.132 0.143 15.351 1.00 63.41 C ATOM 716 C LYS A 43 -5.613 0.350 15.516 1.00 53.33 C ATOM 717 O LYS A 43 -5.164 1.244 16.242 1.00 75.51 O ATOM 718 CB LYS A 43 -7.632 -1.119 16.140 1.00 24.23 C ATOM 719 CG LYS A 43 -9.059 -1.033 16.765 1.00 13.12 C ATOM 720 CD LYS A 43 -10.239 -0.908 15.749 1.00 72.44 C ATOM 721 CE LYS A 43 -10.478 0.523 15.230 1.00 61.52 C ATOM 722 NZ LYS A 43 -11.621 0.608 14.303 1.00 35.11 N ATOM 0 H LYS A 43 -7.840 -0.884 13.647 1.00 65.42 H new ATOM 0 HA LYS A 43 -7.643 1.010 15.770 1.00 63.41 H new ATOM 0 HB2 LYS A 43 -7.607 -1.975 15.465 1.00 24.23 H new ATOM 0 HB3 LYS A 43 -6.921 -1.324 16.941 1.00 24.23 H new ATOM 0 HG2 LYS A 43 -9.222 -1.921 17.375 1.00 13.12 H new ATOM 0 HG3 LYS A 43 -9.090 -0.175 17.437 1.00 13.12 H new ATOM 0 HD2 LYS A 43 -10.043 -1.562 14.900 1.00 72.44 H new ATOM 0 HD3 LYS A 43 -11.152 -1.267 16.224 1.00 72.44 H new ATOM 0 HE2 LYS A 43 -10.651 1.188 16.076 1.00 61.52 H new ATOM 0 HE3 LYS A 43 -9.579 0.877 14.725 1.00 61.52 H new ATOM 0 HZ1 LYS A 43 -11.737 1.591 13.984 1.00 35.11 H new ATOM 0 HZ2 LYS A 43 -11.447 -0.004 13.480 1.00 35.11 H new ATOM 0 HZ3 LYS A 43 -12.486 0.297 14.789 1.00 35.11 H new ATOM 736 N LYS A 44 -4.843 -0.464 14.784 1.00 63.32 N ATOM 737 CA LYS A 44 -3.368 -0.424 14.795 1.00 32.11 C ATOM 738 C LYS A 44 -2.825 0.905 14.229 1.00 1.31 C ATOM 739 O LYS A 44 -1.666 1.228 14.447 1.00 43.15 O ATOM 740 CB LYS A 44 -2.811 -1.622 13.967 1.00 71.54 C ATOM 741 CG LYS A 44 -3.233 -3.032 14.483 1.00 55.52 C ATOM 742 CD LYS A 44 -2.239 -3.639 15.500 1.00 62.13 C ATOM 743 CE LYS A 44 -0.892 -3.999 14.852 1.00 60.12 C ATOM 744 NZ LYS A 44 -1.061 -4.975 13.738 1.00 74.31 N ATOM 0 H LYS A 44 -5.225 -1.176 14.161 1.00 63.32 H new ATOM 0 HA LYS A 44 -3.036 -0.499 15.830 1.00 32.11 H new ATOM 0 HB2 LYS A 44 -3.142 -1.516 12.934 1.00 71.54 H new ATOM 0 HB3 LYS A 44 -1.723 -1.565 13.960 1.00 71.54 H new ATOM 0 HG2 LYS A 44 -4.217 -2.961 14.947 1.00 55.52 H new ATOM 0 HG3 LYS A 44 -3.329 -3.708 13.633 1.00 55.52 H new ATOM 0 HD2 LYS A 44 -2.072 -2.929 16.310 1.00 62.13 H new ATOM 0 HD3 LYS A 44 -2.677 -4.533 15.944 1.00 62.13 H new ATOM 0 HE2 LYS A 44 -0.416 -3.094 14.474 1.00 60.12 H new ATOM 0 HE3 LYS A 44 -0.226 -4.419 15.606 1.00 60.12 H new ATOM 0 HZ1 LYS A 44 -0.138 -5.387 13.494 1.00 74.31 H new ATOM 0 HZ2 LYS A 44 -1.710 -5.732 14.035 1.00 74.31 H new ATOM 0 HZ3 LYS A 44 -1.454 -4.489 12.907 1.00 74.31 H new ATOM 758 N LEU A 45 -3.641 1.620 13.425 1.00 4.55 N ATOM 759 CA LEU A 45 -3.277 2.946 12.883 1.00 41.44 C ATOM 760 C LEU A 45 -3.697 4.110 13.809 1.00 44.41 C ATOM 761 O LEU A 45 -2.917 5.045 14.025 1.00 51.03 O ATOM 762 CB LEU A 45 -3.901 3.129 11.475 1.00 2.11 C ATOM 763 CG LEU A 45 -3.545 2.028 10.426 1.00 72.35 C ATOM 764 CD1 LEU A 45 -4.175 2.315 9.054 1.00 3.44 C ATOM 765 CD2 LEU A 45 -2.020 1.807 10.325 1.00 32.21 C ATOM 0 H LEU A 45 -4.564 1.297 13.135 1.00 4.55 H new ATOM 0 HA LEU A 45 -2.190 2.977 12.814 1.00 41.44 H new ATOM 0 HB2 LEU A 45 -4.985 3.167 11.581 1.00 2.11 H new ATOM 0 HB3 LEU A 45 -3.586 4.095 11.081 1.00 2.11 H new ATOM 0 HG LEU A 45 -3.981 1.095 10.783 1.00 72.35 H new ATOM 0 HD11 LEU A 45 -3.901 1.524 8.355 1.00 3.44 H new ATOM 0 HD12 LEU A 45 -5.260 2.353 9.153 1.00 3.44 H new ATOM 0 HD13 LEU A 45 -3.811 3.272 8.680 1.00 3.44 H new ATOM 0 HD21 LEU A 45 -1.813 1.034 9.585 1.00 32.21 H new ATOM 0 HD22 LEU A 45 -1.537 2.736 10.024 1.00 32.21 H new ATOM 0 HD23 LEU A 45 -1.633 1.494 11.295 1.00 32.21 H new ATOM 777 N ALA A 46 -4.951 4.056 14.311 1.00 11.03 N ATOM 778 CA ALA A 46 -5.626 5.223 14.928 1.00 4.13 C ATOM 779 C ALA A 46 -5.462 5.323 16.463 1.00 3.21 C ATOM 780 O ALA A 46 -5.372 6.447 16.987 1.00 64.42 O ATOM 781 CB ALA A 46 -7.110 5.230 14.533 1.00 73.34 C ATOM 0 H ALA A 46 -5.521 3.210 14.301 1.00 11.03 H new ATOM 0 HA ALA A 46 -5.126 6.108 14.535 1.00 4.13 H new ATOM 0 HB1 ALA A 46 -7.604 6.089 14.988 1.00 73.34 H new ATOM 0 HB2 ALA A 46 -7.198 5.294 13.448 1.00 73.34 H new ATOM 0 HB3 ALA A 46 -7.584 4.312 14.882 1.00 73.34 H new ATOM 787 N GLU A 47 -5.466 4.161 17.181 1.00 42.54 N ATOM 788 CA GLU A 47 -5.342 4.133 18.673 1.00 50.10 C ATOM 789 C GLU A 47 -4.059 4.832 19.134 1.00 3.04 C ATOM 790 O GLU A 47 -4.061 5.589 20.112 1.00 12.53 O ATOM 791 CB GLU A 47 -5.386 2.683 19.231 1.00 13.40 C ATOM 792 CG GLU A 47 -6.721 1.947 18.992 1.00 4.10 C ATOM 793 CD GLU A 47 -6.714 0.503 19.526 1.00 55.45 C ATOM 794 OE1 GLU A 47 -5.902 -0.309 19.044 1.00 20.23 O ATOM 795 OE2 GLU A 47 -7.498 0.179 20.442 1.00 15.54 O ATOM 0 H GLU A 47 -5.553 3.238 16.756 1.00 42.54 H new ATOM 0 HA GLU A 47 -6.200 4.674 19.071 1.00 50.10 H new ATOM 0 HB2 GLU A 47 -4.581 2.107 18.775 1.00 13.40 H new ATOM 0 HB3 GLU A 47 -5.189 2.713 20.303 1.00 13.40 H new ATOM 0 HG2 GLU A 47 -7.527 2.502 19.472 1.00 4.10 H new ATOM 0 HG3 GLU A 47 -6.936 1.933 17.923 1.00 4.10 H new ATOM 802 N GLU A 48 -2.968 4.550 18.424 1.00 62.10 N ATOM 803 CA GLU A 48 -1.720 5.312 18.516 1.00 31.12 C ATOM 804 C GLU A 48 -1.251 5.652 17.089 1.00 32.54 C ATOM 805 O GLU A 48 -1.320 4.828 16.188 1.00 51.25 O ATOM 806 CB GLU A 48 -0.629 4.543 19.354 1.00 21.35 C ATOM 807 CG GLU A 48 -0.650 2.991 19.263 1.00 33.41 C ATOM 808 CD GLU A 48 -0.460 2.449 17.842 1.00 21.12 C ATOM 809 OE1 GLU A 48 0.664 2.547 17.309 1.00 54.41 O ATOM 810 OE2 GLU A 48 -1.443 1.973 17.231 1.00 65.02 O ATOM 0 H GLU A 48 -2.923 3.777 17.760 1.00 62.10 H new ATOM 0 HA GLU A 48 -1.891 6.243 19.057 1.00 31.12 H new ATOM 0 HB2 GLU A 48 0.354 4.890 19.035 1.00 21.35 H new ATOM 0 HB3 GLU A 48 -0.742 4.825 20.401 1.00 21.35 H new ATOM 0 HG2 GLU A 48 0.136 2.589 19.903 1.00 33.41 H new ATOM 0 HG3 GLU A 48 -1.599 2.627 19.656 1.00 33.41 H new ATOM 817 N LYS A 49 -0.798 6.884 16.896 1.00 74.15 N ATOM 818 CA LYS A 49 -0.341 7.396 15.590 1.00 54.22 C ATOM 819 C LYS A 49 1.208 7.504 15.616 1.00 24.32 C ATOM 820 O LYS A 49 1.829 8.228 14.826 1.00 42.43 O ATOM 821 CB LYS A 49 -1.053 8.759 15.362 1.00 60.23 C ATOM 822 CG LYS A 49 -0.842 9.448 13.987 1.00 62.12 C ATOM 823 CD LYS A 49 -1.581 10.811 13.895 1.00 52.34 C ATOM 824 CE LYS A 49 -1.235 11.751 15.072 1.00 12.54 C ATOM 825 NZ LYS A 49 -1.953 13.044 15.008 1.00 62.13 N ATOM 0 H LYS A 49 -0.733 7.573 17.646 1.00 74.15 H new ATOM 0 HA LYS A 49 -0.594 6.737 14.759 1.00 54.22 H new ATOM 0 HB2 LYS A 49 -2.123 8.609 15.504 1.00 60.23 H new ATOM 0 HB3 LYS A 49 -0.722 9.448 16.139 1.00 60.23 H new ATOM 0 HG2 LYS A 49 0.224 9.602 13.820 1.00 62.12 H new ATOM 0 HG3 LYS A 49 -1.197 8.790 13.194 1.00 62.12 H new ATOM 0 HD2 LYS A 49 -1.321 11.299 12.956 1.00 52.34 H new ATOM 0 HD3 LYS A 49 -2.657 10.637 13.877 1.00 52.34 H new ATOM 0 HE2 LYS A 49 -1.477 11.253 16.011 1.00 12.54 H new ATOM 0 HE3 LYS A 49 -0.161 11.938 15.078 1.00 12.54 H new ATOM 0 HZ1 LYS A 49 -1.682 13.632 15.822 1.00 62.13 H new ATOM 0 HZ2 LYS A 49 -1.704 13.536 14.126 1.00 62.13 H new ATOM 0 HZ3 LYS A 49 -2.979 12.873 15.031 1.00 62.13 H new ATOM 839 N ASN A 50 1.815 6.716 16.532 1.00 22.45 N ATOM 840 CA ASN A 50 3.268 6.691 16.801 1.00 61.10 C ATOM 841 C ASN A 50 4.045 6.109 15.597 1.00 4.45 C ATOM 842 O ASN A 50 3.495 5.320 14.831 1.00 43.34 O ATOM 843 CB ASN A 50 3.512 5.854 18.092 1.00 34.54 C ATOM 844 CG ASN A 50 4.975 5.760 18.555 1.00 31.11 C ATOM 845 OD1 ASN A 50 5.758 6.821 18.392 1.00 4.41 O flip ATOM 846 ND2 ASN A 50 5.389 4.742 19.118 1.00 43.43 N flip ATOM 0 H ASN A 50 1.294 6.064 17.118 1.00 22.45 H new ATOM 0 HA ASN A 50 3.635 7.706 16.950 1.00 61.10 H new ATOM 0 HB2 ASN A 50 2.921 6.285 18.900 1.00 34.54 H new ATOM 0 HB3 ASN A 50 3.137 4.844 17.925 1.00 34.54 H new ATOM 0 HD21 ASN A 50 4.773 3.937 19.234 1.00 43.43 H new ATOM 0 HD22 ASN A 50 6.347 4.706 19.467 1.00 43.43 H new ATOM 853 N PHE A 51 5.324 6.509 15.444 1.00 12.41 N ATOM 854 CA PHE A 51 6.133 6.157 14.270 1.00 32.22 C ATOM 855 C PHE A 51 6.365 4.631 14.133 1.00 32.01 C ATOM 856 O PHE A 51 6.761 3.960 15.098 1.00 51.14 O ATOM 857 CB PHE A 51 7.486 6.916 14.271 1.00 24.21 C ATOM 858 CG PHE A 51 8.391 6.510 13.110 1.00 5.24 C ATOM 859 CD1 PHE A 51 8.054 6.851 11.800 1.00 54.33 C ATOM 860 CD2 PHE A 51 9.521 5.707 13.315 1.00 74.43 C ATOM 861 CE1 PHE A 51 8.831 6.433 10.745 1.00 52.21 C ATOM 862 CE2 PHE A 51 10.284 5.283 12.251 1.00 34.43 C ATOM 863 CZ PHE A 51 9.933 5.637 10.970 1.00 71.13 C ATOM 0 H PHE A 51 5.818 7.081 16.129 1.00 12.41 H new ATOM 0 HA PHE A 51 5.557 6.470 13.399 1.00 32.22 H new ATOM 0 HB2 PHE A 51 7.296 7.988 14.221 1.00 24.21 H new ATOM 0 HB3 PHE A 51 8.003 6.728 15.212 1.00 24.21 H new ATOM 0 HD1 PHE A 51 7.174 7.449 11.612 1.00 54.33 H new ATOM 0 HD2 PHE A 51 9.796 5.418 14.319 1.00 74.43 H new ATOM 0 HE1 PHE A 51 8.577 6.729 9.738 1.00 52.21 H new ATOM 0 HE2 PHE A 51 11.158 4.672 12.422 1.00 34.43 H new ATOM 0 HZ PHE A 51 10.524 5.289 10.136 1.00 71.13 H new ATOM 873 N GLU A 52 6.110 4.129 12.905 1.00 62.34 N ATOM 874 CA GLU A 52 6.408 2.753 12.484 1.00 53.22 C ATOM 875 C GLU A 52 6.181 2.624 10.966 1.00 73.32 C ATOM 876 O GLU A 52 5.304 3.290 10.405 1.00 32.34 O ATOM 877 CB GLU A 52 5.522 1.730 13.242 1.00 61.53 C ATOM 878 CG GLU A 52 5.821 0.242 12.916 1.00 71.22 C ATOM 879 CD GLU A 52 4.964 -0.754 13.708 1.00 24.22 C ATOM 880 OE1 GLU A 52 3.732 -0.571 13.760 1.00 40.12 O ATOM 881 OE2 GLU A 52 5.509 -1.735 14.264 1.00 12.00 O ATOM 0 H GLU A 52 5.681 4.686 12.166 1.00 62.34 H new ATOM 0 HA GLU A 52 7.449 2.535 12.722 1.00 53.22 H new ATOM 0 HB2 GLU A 52 5.648 1.885 14.314 1.00 61.53 H new ATOM 0 HB3 GLU A 52 4.477 1.935 13.011 1.00 61.53 H new ATOM 0 HG2 GLU A 52 5.663 0.075 11.851 1.00 71.22 H new ATOM 0 HG3 GLU A 52 6.873 0.041 13.117 1.00 71.22 H new ATOM 888 N LYS A 53 6.997 1.780 10.318 1.00 21.11 N ATOM 889 CA LYS A 53 6.819 1.387 8.913 1.00 62.23 C ATOM 890 C LYS A 53 5.955 0.108 8.870 1.00 65.01 C ATOM 891 O LYS A 53 6.340 -0.911 9.450 1.00 31.32 O ATOM 892 CB LYS A 53 8.191 1.092 8.256 1.00 21.35 C ATOM 893 CG LYS A 53 9.233 2.228 8.325 1.00 42.11 C ATOM 894 CD LYS A 53 10.587 1.790 7.704 1.00 35.44 C ATOM 895 CE LYS A 53 11.718 2.793 7.925 1.00 33.30 C ATOM 896 NZ LYS A 53 12.036 2.961 9.367 1.00 10.13 N ATOM 0 H LYS A 53 7.808 1.347 10.760 1.00 21.11 H new ATOM 0 HA LYS A 53 6.336 2.199 8.369 1.00 62.23 H new ATOM 0 HB2 LYS A 53 8.616 0.207 8.730 1.00 21.35 H new ATOM 0 HB3 LYS A 53 8.024 0.843 7.208 1.00 21.35 H new ATOM 0 HG2 LYS A 53 8.855 3.104 7.797 1.00 42.11 H new ATOM 0 HG3 LYS A 53 9.385 2.522 9.363 1.00 42.11 H new ATOM 0 HD2 LYS A 53 10.877 0.829 8.129 1.00 35.44 H new ATOM 0 HD3 LYS A 53 10.453 1.637 6.633 1.00 35.44 H new ATOM 0 HE2 LYS A 53 12.609 2.459 7.393 1.00 33.30 H new ATOM 0 HE3 LYS A 53 11.437 3.757 7.501 1.00 33.30 H new ATOM 0 HZ1 LYS A 53 11.843 3.942 9.653 1.00 10.13 H new ATOM 0 HZ2 LYS A 53 11.448 2.314 9.930 1.00 10.13 H new ATOM 0 HZ3 LYS A 53 13.040 2.745 9.528 1.00 10.13 H new ATOM 910 N ILE A 54 4.796 0.170 8.198 1.00 3.13 N ATOM 911 CA ILE A 54 3.865 -0.973 8.066 1.00 4.53 C ATOM 912 C ILE A 54 3.553 -1.223 6.575 1.00 62.31 C ATOM 913 O ILE A 54 3.099 -0.310 5.881 1.00 5.20 O ATOM 914 CB ILE A 54 2.501 -0.737 8.840 1.00 11.43 C ATOM 915 CG1 ILE A 54 2.740 -0.405 10.350 1.00 34.31 C ATOM 916 CG2 ILE A 54 1.565 -1.970 8.699 1.00 42.22 C ATOM 917 CD1 ILE A 54 1.469 -0.183 11.169 1.00 32.41 C ATOM 0 H ILE A 54 4.472 1.015 7.727 1.00 3.13 H new ATOM 0 HA ILE A 54 4.359 -1.838 8.509 1.00 4.53 H new ATOM 0 HB ILE A 54 2.016 0.126 8.383 1.00 11.43 H new ATOM 0 HG12 ILE A 54 3.308 -1.219 10.801 1.00 34.31 H new ATOM 0 HG13 ILE A 54 3.359 0.490 10.417 1.00 34.31 H new ATOM 0 HG21 ILE A 54 0.636 -1.785 9.238 1.00 42.22 H new ATOM 0 HG22 ILE A 54 1.345 -2.141 7.645 1.00 42.22 H new ATOM 0 HG23 ILE A 54 2.057 -2.849 9.115 1.00 42.22 H new ATOM 0 HD11 ILE A 54 1.736 0.041 12.202 1.00 32.41 H new ATOM 0 HD12 ILE A 54 0.907 0.652 10.750 1.00 32.41 H new ATOM 0 HD13 ILE A 54 0.856 -1.084 11.140 1.00 32.41 H new ATOM 929 N LEU A 55 3.818 -2.448 6.089 1.00 42.04 N ATOM 930 CA LEU A 55 3.343 -2.898 4.769 1.00 43.33 C ATOM 931 C LEU A 55 1.974 -3.574 4.961 1.00 32.10 C ATOM 932 O LEU A 55 1.879 -4.597 5.640 1.00 72.22 O ATOM 933 CB LEU A 55 4.323 -3.917 4.117 1.00 53.11 C ATOM 934 CG LEU A 55 3.980 -4.316 2.630 1.00 73.45 C ATOM 935 CD1 LEU A 55 4.370 -3.194 1.660 1.00 21.53 C ATOM 936 CD2 LEU A 55 4.611 -5.660 2.208 1.00 21.13 C ATOM 0 H LEU A 55 4.362 -3.148 6.594 1.00 42.04 H new ATOM 0 HA LEU A 55 3.275 -2.033 4.109 1.00 43.33 H new ATOM 0 HB2 LEU A 55 5.329 -3.497 4.142 1.00 53.11 H new ATOM 0 HB3 LEU A 55 4.340 -4.822 4.725 1.00 53.11 H new ATOM 0 HG LEU A 55 2.900 -4.456 2.585 1.00 73.45 H new ATOM 0 HD11 LEU A 55 4.124 -3.492 0.641 1.00 21.53 H new ATOM 0 HD12 LEU A 55 3.823 -2.286 1.915 1.00 21.53 H new ATOM 0 HD13 LEU A 55 5.441 -3.005 1.734 1.00 21.53 H new ATOM 0 HD21 LEU A 55 4.340 -5.881 1.176 1.00 21.13 H new ATOM 0 HD22 LEU A 55 5.696 -5.595 2.292 1.00 21.13 H new ATOM 0 HD23 LEU A 55 4.244 -6.454 2.858 1.00 21.13 H new ATOM 948 N ILE A 56 0.916 -2.978 4.411 1.00 53.10 N ATOM 949 CA ILE A 56 -0.424 -3.588 4.394 1.00 35.32 C ATOM 950 C ILE A 56 -0.704 -4.096 2.977 1.00 55.23 C ATOM 951 O ILE A 56 -0.631 -3.321 2.017 1.00 3.41 O ATOM 952 CB ILE A 56 -1.543 -2.579 4.844 1.00 22.44 C ATOM 953 CG1 ILE A 56 -1.385 -2.177 6.348 1.00 43.34 C ATOM 954 CG2 ILE A 56 -2.963 -3.148 4.576 1.00 54.52 C ATOM 955 CD1 ILE A 56 -1.591 -3.318 7.339 1.00 75.22 C ATOM 0 H ILE A 56 0.958 -2.062 3.965 1.00 53.10 H new ATOM 0 HA ILE A 56 -0.442 -4.412 5.108 1.00 35.32 H new ATOM 0 HB ILE A 56 -1.421 -1.679 4.242 1.00 22.44 H new ATOM 0 HG12 ILE A 56 -0.388 -1.761 6.496 1.00 43.34 H new ATOM 0 HG13 ILE A 56 -2.098 -1.384 6.575 1.00 43.34 H new ATOM 0 HG21 ILE A 56 -3.712 -2.425 4.899 1.00 54.52 H new ATOM 0 HG22 ILE A 56 -3.082 -3.342 3.510 1.00 54.52 H new ATOM 0 HG23 ILE A 56 -3.093 -4.077 5.131 1.00 54.52 H new ATOM 0 HD11 ILE A 56 -1.462 -2.945 8.355 1.00 75.22 H new ATOM 0 HD12 ILE A 56 -2.597 -3.721 7.226 1.00 75.22 H new ATOM 0 HD13 ILE A 56 -0.861 -4.104 7.146 1.00 75.22 H new ATOM 967 N LYS A 57 -1.004 -5.399 2.850 1.00 70.15 N ATOM 968 CA LYS A 57 -1.358 -6.009 1.560 1.00 32.24 C ATOM 969 C LYS A 57 -2.848 -6.371 1.562 1.00 51.13 C ATOM 970 O LYS A 57 -3.417 -6.688 2.614 1.00 42.24 O ATOM 971 CB LYS A 57 -0.467 -7.255 1.272 1.00 21.32 C ATOM 972 CG LYS A 57 -0.870 -8.592 1.981 1.00 72.03 C ATOM 973 CD LYS A 57 -1.692 -9.548 1.061 1.00 12.10 C ATOM 974 CE LYS A 57 -2.007 -10.908 1.704 1.00 2.01 C ATOM 975 NZ LYS A 57 -2.639 -11.859 0.749 1.00 23.21 N ATOM 0 H LYS A 57 -1.008 -6.054 3.632 1.00 70.15 H new ATOM 0 HA LYS A 57 -1.174 -5.293 0.759 1.00 32.24 H new ATOM 0 HB2 LYS A 57 -0.464 -7.429 0.196 1.00 21.32 H new ATOM 0 HB3 LYS A 57 0.557 -7.014 1.559 1.00 21.32 H new ATOM 0 HG2 LYS A 57 0.032 -9.105 2.315 1.00 72.03 H new ATOM 0 HG3 LYS A 57 -1.455 -8.362 2.872 1.00 72.03 H new ATOM 0 HD2 LYS A 57 -2.628 -9.060 0.789 1.00 12.10 H new ATOM 0 HD3 LYS A 57 -1.138 -9.713 0.137 1.00 12.10 H new ATOM 0 HE2 LYS A 57 -1.086 -11.345 2.091 1.00 2.01 H new ATOM 0 HE3 LYS A 57 -2.671 -10.758 2.555 1.00 2.01 H new ATOM 0 HZ1 LYS A 57 -2.831 -12.760 1.232 1.00 23.21 H new ATOM 0 HZ2 LYS A 57 -3.532 -11.457 0.398 1.00 23.21 H new ATOM 0 HZ3 LYS A 57 -1.996 -12.025 -0.052 1.00 23.21 H new ATOM 989 N SER A 58 -3.448 -6.329 0.375 1.00 11.22 N ATOM 990 CA SER A 58 -4.830 -6.740 0.132 1.00 73.24 C ATOM 991 C SER A 58 -5.074 -6.763 -1.385 1.00 3.00 C ATOM 992 O SER A 58 -4.914 -5.736 -2.062 1.00 71.53 O ATOM 993 CB SER A 58 -5.853 -5.819 0.845 1.00 44.43 C ATOM 994 OG SER A 58 -7.191 -6.189 0.555 1.00 15.12 O ATOM 0 H SER A 58 -2.975 -6.000 -0.467 1.00 11.22 H new ATOM 0 HA SER A 58 -4.976 -7.736 0.550 1.00 73.24 H new ATOM 0 HB2 SER A 58 -5.690 -5.861 1.922 1.00 44.43 H new ATOM 0 HB3 SER A 58 -5.687 -4.786 0.538 1.00 44.43 H new ATOM 0 HG SER A 58 -7.550 -5.599 -0.140 1.00 15.12 H new ATOM 1000 N ASN A 59 -5.442 -7.950 -1.899 1.00 44.41 N ATOM 1001 CA ASN A 59 -5.781 -8.167 -3.320 1.00 25.44 C ATOM 1002 C ASN A 59 -7.064 -7.397 -3.700 1.00 51.13 C ATOM 1003 O ASN A 59 -7.254 -7.036 -4.864 1.00 53.32 O ATOM 1004 CB ASN A 59 -5.940 -9.691 -3.602 1.00 53.41 C ATOM 1005 CG ASN A 59 -7.093 -10.365 -2.830 1.00 45.12 C ATOM 1006 OD1 ASN A 59 -7.456 -9.953 -1.730 1.00 70.55 O ATOM 1007 ND2 ASN A 59 -7.664 -11.419 -3.391 1.00 32.41 N ATOM 0 H ASN A 59 -5.514 -8.796 -1.334 1.00 44.41 H new ATOM 0 HA ASN A 59 -4.969 -7.783 -3.938 1.00 25.44 H new ATOM 0 HB2 ASN A 59 -6.101 -9.836 -4.670 1.00 53.41 H new ATOM 0 HB3 ASN A 59 -5.007 -10.194 -3.349 1.00 53.41 H new ATOM 0 HD21 ASN A 59 -8.420 -11.906 -2.910 1.00 32.41 H new ATOM 0 HD22 ASN A 59 -7.348 -11.745 -4.304 1.00 32.41 H new ATOM 1014 N ASP A 60 -7.928 -7.149 -2.697 1.00 65.23 N ATOM 1015 CA ASP A 60 -9.169 -6.372 -2.848 1.00 60.31 C ATOM 1016 C ASP A 60 -8.837 -4.870 -2.744 1.00 54.20 C ATOM 1017 O ASP A 60 -8.418 -4.417 -1.678 1.00 2.34 O ATOM 1018 CB ASP A 60 -10.171 -6.789 -1.733 1.00 21.32 C ATOM 1019 CG ASP A 60 -11.574 -6.161 -1.889 1.00 41.14 C ATOM 1020 OD1 ASP A 60 -11.771 -4.974 -1.543 1.00 31.31 O ATOM 1021 OD2 ASP A 60 -12.492 -6.858 -2.370 1.00 11.40 O ATOM 0 H ASP A 60 -7.780 -7.488 -1.747 1.00 65.23 H new ATOM 0 HA ASP A 60 -9.623 -6.567 -3.819 1.00 60.31 H new ATOM 0 HB2 ASP A 60 -10.267 -7.875 -1.731 1.00 21.32 H new ATOM 0 HB3 ASP A 60 -9.761 -6.504 -0.764 1.00 21.32 H new ATOM 1026 N LYS A 61 -9.039 -4.110 -3.843 1.00 12.52 N ATOM 1027 CA LYS A 61 -8.643 -2.680 -3.924 1.00 55.04 C ATOM 1028 C LYS A 61 -9.602 -1.752 -3.153 1.00 32.04 C ATOM 1029 O LYS A 61 -9.205 -0.646 -2.762 1.00 20.33 O ATOM 1030 CB LYS A 61 -8.535 -2.209 -5.406 1.00 31.02 C ATOM 1031 CG LYS A 61 -9.850 -2.276 -6.224 1.00 72.14 C ATOM 1032 CD LYS A 61 -9.735 -1.591 -7.610 1.00 11.11 C ATOM 1033 CE LYS A 61 -8.667 -2.226 -8.522 1.00 22.25 C ATOM 1034 NZ LYS A 61 -9.007 -3.615 -8.926 1.00 41.43 N ATOM 0 H LYS A 61 -9.477 -4.463 -4.694 1.00 12.52 H new ATOM 0 HA LYS A 61 -7.664 -2.611 -3.451 1.00 55.04 H new ATOM 0 HB2 LYS A 61 -8.173 -1.181 -5.417 1.00 31.02 H new ATOM 0 HB3 LYS A 61 -7.783 -2.817 -5.909 1.00 31.02 H new ATOM 0 HG2 LYS A 61 -10.133 -3.320 -6.363 1.00 72.14 H new ATOM 0 HG3 LYS A 61 -10.650 -1.802 -5.655 1.00 72.14 H new ATOM 0 HD2 LYS A 61 -10.702 -1.636 -8.110 1.00 11.11 H new ATOM 0 HD3 LYS A 61 -9.499 -0.536 -7.467 1.00 11.11 H new ATOM 0 HE2 LYS A 61 -8.546 -1.612 -9.415 1.00 22.25 H new ATOM 0 HE3 LYS A 61 -7.708 -2.228 -8.004 1.00 22.25 H new ATOM 0 HZ1 LYS A 61 -8.204 -4.034 -9.437 1.00 41.43 H new ATOM 0 HZ2 LYS A 61 -9.212 -4.183 -8.079 1.00 41.43 H new ATOM 0 HZ3 LYS A 61 -9.843 -3.602 -9.545 1.00 41.43 H new ATOM 1048 N GLN A 62 -10.853 -2.211 -2.925 1.00 72.41 N ATOM 1049 CA GLN A 62 -11.897 -1.374 -2.304 1.00 75.11 C ATOM 1050 C GLN A 62 -11.595 -1.163 -0.807 1.00 40.13 C ATOM 1051 O GLN A 62 -11.875 -0.092 -0.261 1.00 44.23 O ATOM 1052 CB GLN A 62 -13.311 -1.985 -2.505 1.00 70.42 C ATOM 1053 CG GLN A 62 -13.727 -2.227 -3.977 1.00 11.20 C ATOM 1054 CD GLN A 62 -13.700 -0.973 -4.860 1.00 31.14 C ATOM 1055 OE1 GLN A 62 -12.701 -0.669 -5.516 1.00 22.11 O ATOM 1056 NE2 GLN A 62 -14.791 -0.225 -4.867 1.00 34.31 N ATOM 0 H GLN A 62 -11.161 -3.154 -3.162 1.00 72.41 H new ATOM 0 HA GLN A 62 -11.889 -0.403 -2.800 1.00 75.11 H new ATOM 0 HB2 GLN A 62 -13.357 -2.934 -1.971 1.00 70.42 H new ATOM 0 HB3 GLN A 62 -14.043 -1.323 -2.042 1.00 70.42 H new ATOM 0 HG2 GLN A 62 -13.064 -2.975 -4.410 1.00 11.20 H new ATOM 0 HG3 GLN A 62 -14.733 -2.646 -3.993 1.00 11.20 H new ATOM 0 HE21 GLN A 62 -15.602 -0.502 -4.314 1.00 34.31 H new ATOM 0 HE22 GLN A 62 -14.821 0.628 -5.425 1.00 34.31 H new ATOM 1065 N LEU A 63 -10.989 -2.194 -0.168 1.00 10.14 N ATOM 1066 CA LEU A 63 -10.540 -2.121 1.241 1.00 15.43 C ATOM 1067 C LEU A 63 -9.525 -0.977 1.446 1.00 45.31 C ATOM 1068 O LEU A 63 -9.550 -0.295 2.476 1.00 52.15 O ATOM 1069 CB LEU A 63 -9.905 -3.468 1.708 1.00 45.44 C ATOM 1070 CG LEU A 63 -10.842 -4.717 1.703 1.00 3.43 C ATOM 1071 CD1 LEU A 63 -10.117 -5.968 2.244 1.00 75.21 C ATOM 1072 CD2 LEU A 63 -12.154 -4.447 2.471 1.00 54.25 C ATOM 0 H LEU A 63 -10.800 -3.092 -0.613 1.00 10.14 H new ATOM 0 HA LEU A 63 -11.425 -1.922 1.845 1.00 15.43 H new ATOM 0 HB2 LEU A 63 -9.048 -3.681 1.069 1.00 45.44 H new ATOM 0 HB3 LEU A 63 -9.522 -3.332 2.719 1.00 45.44 H new ATOM 0 HG LEU A 63 -11.110 -4.917 0.666 1.00 3.43 H new ATOM 0 HD11 LEU A 63 -10.798 -6.819 2.227 1.00 75.21 H new ATOM 0 HD12 LEU A 63 -9.250 -6.184 1.620 1.00 75.21 H new ATOM 0 HD13 LEU A 63 -9.791 -5.785 3.268 1.00 75.21 H new ATOM 0 HD21 LEU A 63 -12.780 -5.339 2.446 1.00 54.25 H new ATOM 0 HD22 LEU A 63 -11.924 -4.194 3.506 1.00 54.25 H new ATOM 0 HD23 LEU A 63 -12.685 -3.617 2.004 1.00 54.25 H new ATOM 1084 N LEU A 64 -8.650 -0.771 0.439 1.00 72.42 N ATOM 1085 CA LEU A 64 -7.604 0.271 0.468 1.00 34.34 C ATOM 1086 C LEU A 64 -8.234 1.672 0.361 1.00 50.11 C ATOM 1087 O LEU A 64 -7.743 2.615 0.981 1.00 64.32 O ATOM 1088 CB LEU A 64 -6.552 0.064 -0.663 1.00 61.12 C ATOM 1089 CG LEU A 64 -5.582 -1.160 -0.492 1.00 21.42 C ATOM 1090 CD1 LEU A 64 -6.313 -2.502 -0.559 1.00 64.15 C ATOM 1091 CD2 LEU A 64 -4.452 -1.120 -1.523 1.00 2.23 C ATOM 0 H LEU A 64 -8.650 -1.324 -0.418 1.00 72.42 H new ATOM 0 HA LEU A 64 -7.085 0.187 1.423 1.00 34.34 H new ATOM 0 HB2 LEU A 64 -7.083 -0.049 -1.608 1.00 61.12 H new ATOM 0 HB3 LEU A 64 -5.950 0.970 -0.741 1.00 61.12 H new ATOM 0 HG LEU A 64 -5.151 -1.073 0.506 1.00 21.42 H new ATOM 0 HD11 LEU A 64 -5.596 -3.314 -0.435 1.00 64.15 H new ATOM 0 HD12 LEU A 64 -7.057 -2.551 0.236 1.00 64.15 H new ATOM 0 HD13 LEU A 64 -6.807 -2.599 -1.526 1.00 64.15 H new ATOM 0 HD21 LEU A 64 -3.798 -1.980 -1.379 1.00 2.23 H new ATOM 0 HD22 LEU A 64 -4.875 -1.150 -2.527 1.00 2.23 H new ATOM 0 HD23 LEU A 64 -3.878 -0.202 -1.398 1.00 2.23 H new ATOM 1103 N LYS A 65 -9.330 1.790 -0.433 1.00 30.34 N ATOM 1104 CA LYS A 65 -10.087 3.054 -0.582 1.00 40.35 C ATOM 1105 C LYS A 65 -10.634 3.499 0.780 1.00 73.42 C ATOM 1106 O LYS A 65 -10.326 4.588 1.271 1.00 25.23 O ATOM 1107 CB LYS A 65 -11.278 2.870 -1.568 1.00 34.42 C ATOM 1108 CG LYS A 65 -10.892 2.305 -2.938 1.00 31.13 C ATOM 1109 CD LYS A 65 -12.074 2.150 -3.929 1.00 0.55 C ATOM 1110 CE LYS A 65 -12.673 3.487 -4.419 1.00 13.25 C ATOM 1111 NZ LYS A 65 -13.551 4.144 -3.411 1.00 12.33 N ATOM 0 H LYS A 65 -9.708 1.018 -0.982 1.00 30.34 H new ATOM 0 HA LYS A 65 -9.409 3.811 -0.977 1.00 40.35 H new ATOM 0 HB2 LYS A 65 -12.012 2.207 -1.110 1.00 34.42 H new ATOM 0 HB3 LYS A 65 -11.765 3.834 -1.712 1.00 34.42 H new ATOM 0 HG2 LYS A 65 -10.142 2.956 -3.387 1.00 31.13 H new ATOM 0 HG3 LYS A 65 -10.424 1.331 -2.796 1.00 31.13 H new ATOM 0 HD2 LYS A 65 -11.735 1.579 -4.793 1.00 0.55 H new ATOM 0 HD3 LYS A 65 -12.860 1.567 -3.450 1.00 0.55 H new ATOM 0 HE2 LYS A 65 -11.862 4.166 -4.682 1.00 13.25 H new ATOM 0 HE3 LYS A 65 -13.246 3.309 -5.329 1.00 13.25 H new ATOM 0 HZ1 LYS A 65 -14.420 4.479 -3.874 1.00 12.33 H new ATOM 0 HZ2 LYS A 65 -13.797 3.461 -2.667 1.00 12.33 H new ATOM 0 HZ3 LYS A 65 -13.050 4.951 -2.988 1.00 12.33 H new ATOM 1125 N GLU A 66 -11.402 2.580 1.385 1.00 52.33 N ATOM 1126 CA GLU A 66 -12.121 2.791 2.652 1.00 43.14 C ATOM 1127 C GLU A 66 -11.151 2.973 3.831 1.00 14.02 C ATOM 1128 O GLU A 66 -11.488 3.628 4.824 1.00 43.34 O ATOM 1129 CB GLU A 66 -13.073 1.591 2.876 1.00 14.22 C ATOM 1130 CG GLU A 66 -14.041 1.363 1.694 1.00 42.20 C ATOM 1131 CD GLU A 66 -14.877 0.087 1.830 1.00 72.33 C ATOM 1132 OE1 GLU A 66 -15.970 0.146 2.436 1.00 3.45 O ATOM 1133 OE2 GLU A 66 -14.435 -0.978 1.348 1.00 62.34 O ATOM 0 H GLU A 66 -11.544 1.647 0.998 1.00 52.33 H new ATOM 0 HA GLU A 66 -12.701 3.712 2.594 1.00 43.14 H new ATOM 0 HB2 GLU A 66 -12.482 0.689 3.034 1.00 14.22 H new ATOM 0 HB3 GLU A 66 -13.651 1.757 3.785 1.00 14.22 H new ATOM 0 HG2 GLU A 66 -14.710 2.220 1.611 1.00 42.20 H new ATOM 0 HG3 GLU A 66 -13.468 1.316 0.768 1.00 42.20 H new ATOM 1140 N MET A 67 -9.943 2.393 3.691 1.00 55.11 N ATOM 1141 CA MET A 67 -8.841 2.568 4.648 1.00 10.10 C ATOM 1142 C MET A 67 -8.387 4.035 4.642 1.00 4.11 C ATOM 1143 O MET A 67 -8.346 4.681 5.690 1.00 20.51 O ATOM 1144 CB MET A 67 -7.647 1.662 4.262 1.00 12.21 C ATOM 1145 CG MET A 67 -6.509 1.614 5.295 1.00 23.24 C ATOM 1146 SD MET A 67 -5.004 0.862 4.648 1.00 33.35 S ATOM 1147 CE MET A 67 -5.607 -0.693 3.997 1.00 74.23 C ATOM 0 H MET A 67 -9.706 1.787 2.905 1.00 55.11 H new ATOM 0 HA MET A 67 -9.190 2.292 5.643 1.00 10.10 H new ATOM 0 HB2 MET A 67 -8.016 0.649 4.102 1.00 12.21 H new ATOM 0 HB3 MET A 67 -7.241 2.007 3.311 1.00 12.21 H new ATOM 0 HG2 MET A 67 -6.287 2.627 5.631 1.00 23.24 H new ATOM 0 HG3 MET A 67 -6.842 1.054 6.169 1.00 23.24 H new ATOM 0 HE1 MET A 67 -4.804 -1.198 3.460 1.00 74.23 H new ATOM 0 HE2 MET A 67 -5.947 -1.324 4.818 1.00 74.23 H new ATOM 0 HE3 MET A 67 -6.437 -0.505 3.316 1.00 74.23 H new ATOM 1157 N LEU A 68 -8.094 4.543 3.420 1.00 71.50 N ATOM 1158 CA LEU A 68 -7.583 5.907 3.194 1.00 42.01 C ATOM 1159 C LEU A 68 -8.600 6.977 3.622 1.00 71.13 C ATOM 1160 O LEU A 68 -8.206 8.050 4.082 1.00 54.34 O ATOM 1161 CB LEU A 68 -7.172 6.090 1.704 1.00 65.15 C ATOM 1162 CG LEU A 68 -5.946 5.238 1.239 1.00 2.23 C ATOM 1163 CD1 LEU A 68 -5.717 5.344 -0.280 1.00 23.14 C ATOM 1164 CD2 LEU A 68 -4.675 5.629 2.016 1.00 4.21 C ATOM 0 H LEU A 68 -8.209 4.008 2.559 1.00 71.50 H new ATOM 0 HA LEU A 68 -6.699 6.040 3.818 1.00 42.01 H new ATOM 0 HB2 LEU A 68 -8.027 5.840 1.075 1.00 65.15 H new ATOM 0 HB3 LEU A 68 -6.948 7.143 1.533 1.00 65.15 H new ATOM 0 HG LEU A 68 -6.174 4.196 1.461 1.00 2.23 H new ATOM 0 HD11 LEU A 68 -4.856 4.737 -0.561 1.00 23.14 H new ATOM 0 HD12 LEU A 68 -6.601 4.986 -0.807 1.00 23.14 H new ATOM 0 HD13 LEU A 68 -5.531 6.384 -0.548 1.00 23.14 H new ATOM 0 HD21 LEU A 68 -3.838 5.021 1.673 1.00 4.21 H new ATOM 0 HD22 LEU A 68 -4.453 6.682 1.844 1.00 4.21 H new ATOM 0 HD23 LEU A 68 -4.833 5.460 3.081 1.00 4.21 H new ATOM 1176 N GLU A 69 -9.907 6.660 3.480 1.00 41.44 N ATOM 1177 CA GLU A 69 -11.004 7.553 3.910 1.00 1.13 C ATOM 1178 C GLU A 69 -10.954 7.807 5.428 1.00 21.21 C ATOM 1179 O GLU A 69 -11.321 8.884 5.897 1.00 13.24 O ATOM 1180 CB GLU A 69 -12.382 6.963 3.498 1.00 31.51 C ATOM 1181 CG GLU A 69 -12.586 6.818 1.974 1.00 40.11 C ATOM 1182 CD GLU A 69 -12.516 8.160 1.212 1.00 33.12 C ATOM 1183 OE1 GLU A 69 -13.540 8.870 1.151 1.00 50.33 O ATOM 1184 OE2 GLU A 69 -11.439 8.515 0.675 1.00 0.53 O ATOM 0 H GLU A 69 -10.228 5.784 3.067 1.00 41.44 H new ATOM 0 HA GLU A 69 -10.873 8.511 3.407 1.00 1.13 H new ATOM 0 HB2 GLU A 69 -12.497 5.984 3.962 1.00 31.51 H new ATOM 0 HB3 GLU A 69 -13.170 7.600 3.898 1.00 31.51 H new ATOM 0 HG2 GLU A 69 -11.827 6.144 1.577 1.00 40.11 H new ATOM 0 HG3 GLU A 69 -13.554 6.354 1.788 1.00 40.11 H new ATOM 1191 N LEU A 70 -10.511 6.792 6.184 1.00 71.44 N ATOM 1192 CA LEU A 70 -10.313 6.901 7.641 1.00 32.03 C ATOM 1193 C LEU A 70 -8.909 7.474 7.971 1.00 13.15 C ATOM 1194 O LEU A 70 -8.730 8.152 8.990 1.00 52.11 O ATOM 1195 CB LEU A 70 -10.521 5.512 8.287 1.00 72.53 C ATOM 1196 CG LEU A 70 -11.893 4.819 7.997 1.00 11.44 C ATOM 1197 CD1 LEU A 70 -11.964 3.418 8.641 1.00 42.52 C ATOM 1198 CD2 LEU A 70 -13.084 5.704 8.435 1.00 11.25 C ATOM 0 H LEU A 70 -10.280 5.873 5.806 1.00 71.44 H new ATOM 0 HA LEU A 70 -11.045 7.596 8.053 1.00 32.03 H new ATOM 0 HB2 LEU A 70 -9.724 4.852 7.946 1.00 72.53 H new ATOM 0 HB3 LEU A 70 -10.410 5.615 9.366 1.00 72.53 H new ATOM 0 HG LEU A 70 -11.968 4.688 6.917 1.00 11.44 H new ATOM 0 HD11 LEU A 70 -12.930 2.965 8.420 1.00 42.52 H new ATOM 0 HD12 LEU A 70 -11.168 2.791 8.238 1.00 42.52 H new ATOM 0 HD13 LEU A 70 -11.843 3.507 9.721 1.00 42.52 H new ATOM 0 HD21 LEU A 70 -14.020 5.189 8.217 1.00 11.25 H new ATOM 0 HD22 LEU A 70 -13.018 5.899 9.505 1.00 11.25 H new ATOM 0 HD23 LEU A 70 -13.055 6.648 7.891 1.00 11.25 H new ATOM 1210 N ILE A 71 -7.919 7.193 7.089 1.00 43.15 N ATOM 1211 CA ILE A 71 -6.516 7.673 7.232 1.00 42.14 C ATOM 1212 C ILE A 71 -6.428 9.206 7.058 1.00 43.04 C ATOM 1213 O ILE A 71 -5.553 9.841 7.653 1.00 43.11 O ATOM 1214 CB ILE A 71 -5.544 6.933 6.212 1.00 1.44 C ATOM 1215 CG1 ILE A 71 -5.304 5.450 6.654 1.00 22.22 C ATOM 1216 CG2 ILE A 71 -4.193 7.675 6.003 1.00 41.15 C ATOM 1217 CD1 ILE A 71 -4.385 4.651 5.740 1.00 71.12 C ATOM 0 H ILE A 71 -8.068 6.626 6.255 1.00 43.15 H new ATOM 0 HA ILE A 71 -6.190 7.429 8.243 1.00 42.14 H new ATOM 0 HB ILE A 71 -6.048 6.939 5.245 1.00 1.44 H new ATOM 0 HG12 ILE A 71 -4.883 5.449 7.659 1.00 22.22 H new ATOM 0 HG13 ILE A 71 -6.267 4.942 6.711 1.00 22.22 H new ATOM 0 HG21 ILE A 71 -3.577 7.118 5.297 1.00 41.15 H new ATOM 0 HG22 ILE A 71 -4.383 8.674 5.610 1.00 41.15 H new ATOM 0 HG23 ILE A 71 -3.670 7.754 6.956 1.00 41.15 H new ATOM 0 HD11 ILE A 71 -4.279 3.637 6.127 1.00 71.12 H new ATOM 0 HD12 ILE A 71 -4.811 4.614 4.737 1.00 71.12 H new ATOM 0 HD13 ILE A 71 -3.406 5.129 5.701 1.00 71.12 H new ATOM 1229 N SER A 72 -7.359 9.791 6.273 1.00 61.42 N ATOM 1230 CA SER A 72 -7.412 11.252 6.017 1.00 10.34 C ATOM 1231 C SER A 72 -7.558 12.067 7.324 1.00 44.14 C ATOM 1232 O SER A 72 -7.205 13.251 7.370 1.00 25.22 O ATOM 1233 CB SER A 72 -8.569 11.569 5.047 1.00 24.12 C ATOM 1234 OG SER A 72 -9.816 11.176 5.595 1.00 63.12 O ATOM 0 H SER A 72 -8.095 9.267 5.799 1.00 61.42 H new ATOM 0 HA SER A 72 -6.466 11.547 5.563 1.00 10.34 H new ATOM 0 HB2 SER A 72 -8.584 12.637 4.830 1.00 24.12 H new ATOM 0 HB3 SER A 72 -8.406 11.054 4.100 1.00 24.12 H new ATOM 0 HG SER A 72 -9.941 10.213 5.466 1.00 63.12 H new ATOM 1240 N LYS A 73 -8.087 11.406 8.375 1.00 24.41 N ATOM 1241 CA LYS A 73 -8.209 11.973 9.726 1.00 64.25 C ATOM 1242 C LYS A 73 -6.820 12.082 10.400 1.00 14.21 C ATOM 1243 O LYS A 73 -6.511 13.082 11.061 1.00 61.03 O ATOM 1244 CB LYS A 73 -9.143 11.076 10.581 1.00 32.34 C ATOM 1245 CG LYS A 73 -10.543 10.839 9.970 1.00 14.55 C ATOM 1246 CD LYS A 73 -11.429 9.939 10.865 1.00 40.22 C ATOM 1247 CE LYS A 73 -12.826 9.697 10.280 1.00 24.12 C ATOM 1248 NZ LYS A 73 -13.682 8.903 11.199 1.00 60.14 N ATOM 0 H LYS A 73 -8.444 10.453 8.304 1.00 24.41 H new ATOM 0 HA LYS A 73 -8.633 12.974 9.650 1.00 64.25 H new ATOM 0 HB2 LYS A 73 -8.659 10.111 10.733 1.00 32.34 H new ATOM 0 HB3 LYS A 73 -9.262 11.531 11.564 1.00 32.34 H new ATOM 0 HG2 LYS A 73 -11.038 11.798 9.819 1.00 14.55 H new ATOM 0 HG3 LYS A 73 -10.435 10.378 8.988 1.00 14.55 H new ATOM 0 HD2 LYS A 73 -10.932 8.980 11.011 1.00 40.22 H new ATOM 0 HD3 LYS A 73 -11.528 10.400 11.848 1.00 40.22 H new ATOM 0 HE2 LYS A 73 -13.304 10.655 10.075 1.00 24.12 H new ATOM 0 HE3 LYS A 73 -12.735 9.175 9.327 1.00 24.12 H new ATOM 0 HZ1 LYS A 73 -14.617 8.761 10.767 1.00 60.14 H new ATOM 0 HZ2 LYS A 73 -13.238 7.979 11.375 1.00 60.14 H new ATOM 0 HZ3 LYS A 73 -13.790 9.412 12.099 1.00 60.14 H new ATOM 1262 N LEU A 74 -5.997 11.030 10.219 1.00 42.01 N ATOM 1263 CA LEU A 74 -4.651 10.919 10.829 1.00 43.31 C ATOM 1264 C LEU A 74 -3.619 11.799 10.084 1.00 61.23 C ATOM 1265 O LEU A 74 -2.741 12.404 10.714 1.00 35.13 O ATOM 1266 CB LEU A 74 -4.209 9.427 10.840 1.00 73.22 C ATOM 1267 CG LEU A 74 -5.142 8.443 11.626 1.00 52.23 C ATOM 1268 CD1 LEU A 74 -4.703 6.975 11.443 1.00 24.23 C ATOM 1269 CD2 LEU A 74 -5.213 8.818 13.126 1.00 62.43 C ATOM 0 H LEU A 74 -6.246 10.227 9.642 1.00 42.01 H new ATOM 0 HA LEU A 74 -4.700 11.284 11.855 1.00 43.31 H new ATOM 0 HB2 LEU A 74 -4.136 9.082 9.809 1.00 73.22 H new ATOM 0 HB3 LEU A 74 -3.208 9.368 11.268 1.00 73.22 H new ATOM 0 HG LEU A 74 -6.143 8.541 11.207 1.00 52.23 H new ATOM 0 HD11 LEU A 74 -5.373 6.322 12.002 1.00 24.23 H new ATOM 0 HD12 LEU A 74 -4.740 6.713 10.386 1.00 24.23 H new ATOM 0 HD13 LEU A 74 -3.685 6.851 11.812 1.00 24.23 H new ATOM 0 HD21 LEU A 74 -5.867 8.118 13.645 1.00 62.43 H new ATOM 0 HD22 LEU A 74 -4.214 8.772 13.560 1.00 62.43 H new ATOM 0 HD23 LEU A 74 -5.607 9.829 13.230 1.00 62.43 H new ATOM 1281 N GLY A 75 -3.735 11.838 8.738 1.00 54.22 N ATOM 1282 CA GLY A 75 -2.910 12.693 7.880 1.00 3.34 C ATOM 1283 C GLY A 75 -1.429 12.310 7.863 1.00 4.10 C ATOM 1284 O GLY A 75 -0.633 12.892 8.603 1.00 32.03 O ATOM 0 H GLY A 75 -4.409 11.272 8.222 1.00 54.22 H new ATOM 0 HA2 GLY A 75 -3.298 12.651 6.862 1.00 3.34 H new ATOM 0 HA3 GLY A 75 -3.004 13.726 8.215 1.00 3.34 H new ATOM 1288 N TYR A 76 -1.057 11.324 7.018 1.00 62.13 N ATOM 1289 CA TYR A 76 0.356 10.914 6.835 1.00 10.02 C ATOM 1290 C TYR A 76 0.608 10.326 5.429 1.00 72.43 C ATOM 1291 O TYR A 76 -0.332 10.071 4.662 1.00 14.31 O ATOM 1292 CB TYR A 76 0.825 9.926 7.957 1.00 44.04 C ATOM 1293 CG TYR A 76 -0.083 8.707 8.253 1.00 13.25 C ATOM 1294 CD1 TYR A 76 -0.355 7.736 7.282 1.00 25.41 C ATOM 1295 CD2 TYR A 76 -0.627 8.509 9.528 1.00 33.15 C ATOM 1296 CE1 TYR A 76 -1.139 6.634 7.569 1.00 4.12 C ATOM 1297 CE2 TYR A 76 -1.405 7.401 9.813 1.00 44.23 C ATOM 1298 CZ TYR A 76 -1.655 6.468 8.831 1.00 65.05 C ATOM 1299 OH TYR A 76 -2.432 5.365 9.116 1.00 23.05 O ATOM 0 H TYR A 76 -1.717 10.794 6.449 1.00 62.13 H new ATOM 0 HA TYR A 76 0.959 11.818 6.922 1.00 10.02 H new ATOM 0 HB2 TYR A 76 1.813 9.553 7.687 1.00 44.04 H new ATOM 0 HB3 TYR A 76 0.940 10.494 8.880 1.00 44.04 H new ATOM 0 HD1 TYR A 76 0.055 7.850 6.290 1.00 25.41 H new ATOM 0 HD2 TYR A 76 -0.436 9.235 10.304 1.00 33.15 H new ATOM 0 HE1 TYR A 76 -1.346 5.904 6.801 1.00 4.12 H new ATOM 0 HE2 TYR A 76 -1.815 7.268 10.803 1.00 44.23 H new ATOM 0 HH TYR A 76 -1.972 4.554 8.814 1.00 23.05 H new ATOM 1309 N LYS A 77 1.905 10.108 5.122 1.00 31.24 N ATOM 1310 CA LYS A 77 2.362 9.535 3.843 1.00 34.04 C ATOM 1311 C LYS A 77 2.017 8.044 3.757 1.00 64.42 C ATOM 1312 O LYS A 77 2.558 7.221 4.511 1.00 61.13 O ATOM 1313 CB LYS A 77 3.892 9.717 3.679 1.00 32.03 C ATOM 1314 CG LYS A 77 4.360 11.166 3.449 1.00 5.12 C ATOM 1315 CD LYS A 77 3.994 11.698 2.040 1.00 21.53 C ATOM 1316 CE LYS A 77 4.456 13.148 1.822 1.00 2.31 C ATOM 1317 NZ LYS A 77 4.081 13.648 0.480 1.00 13.52 N ATOM 0 H LYS A 77 2.668 10.327 5.762 1.00 31.24 H new ATOM 0 HA LYS A 77 1.848 10.065 3.041 1.00 34.04 H new ATOM 0 HB2 LYS A 77 4.385 9.330 4.571 1.00 32.03 H new ATOM 0 HB3 LYS A 77 4.226 9.107 2.840 1.00 32.03 H new ATOM 0 HG2 LYS A 77 3.912 11.812 4.204 1.00 5.12 H new ATOM 0 HG3 LYS A 77 5.440 11.220 3.584 1.00 5.12 H new ATOM 0 HD2 LYS A 77 4.448 11.058 1.284 1.00 21.53 H new ATOM 0 HD3 LYS A 77 2.914 11.639 1.902 1.00 21.53 H new ATOM 0 HE2 LYS A 77 4.015 13.789 2.585 1.00 2.31 H new ATOM 0 HE3 LYS A 77 5.538 13.207 1.943 1.00 2.31 H new ATOM 0 HZ1 LYS A 77 4.410 14.629 0.371 1.00 13.52 H new ATOM 0 HZ2 LYS A 77 4.523 13.052 -0.249 1.00 13.52 H new ATOM 0 HZ3 LYS A 77 3.047 13.615 0.374 1.00 13.52 H new ATOM 1331 N VAL A 78 1.088 7.731 2.857 1.00 0.22 N ATOM 1332 CA VAL A 78 0.762 6.362 2.457 1.00 40.21 C ATOM 1333 C VAL A 78 1.249 6.163 1.012 1.00 23.22 C ATOM 1334 O VAL A 78 0.995 7.020 0.156 1.00 3.23 O ATOM 1335 CB VAL A 78 -0.778 6.085 2.539 1.00 44.12 C ATOM 1336 CG1 VAL A 78 -1.088 4.610 2.207 1.00 12.33 C ATOM 1337 CG2 VAL A 78 -1.341 6.471 3.924 1.00 41.35 C ATOM 0 H VAL A 78 0.529 8.435 2.375 1.00 0.22 H new ATOM 0 HA VAL A 78 1.253 5.665 3.137 1.00 40.21 H new ATOM 0 HB VAL A 78 -1.271 6.710 1.795 1.00 44.12 H new ATOM 0 HG11 VAL A 78 -2.163 4.441 2.270 1.00 12.33 H new ATOM 0 HG12 VAL A 78 -0.744 4.384 1.198 1.00 12.33 H new ATOM 0 HG13 VAL A 78 -0.576 3.962 2.918 1.00 12.33 H new ATOM 0 HG21 VAL A 78 -2.412 6.268 3.951 1.00 41.35 H new ATOM 0 HG22 VAL A 78 -0.841 5.886 4.696 1.00 41.35 H new ATOM 0 HG23 VAL A 78 -1.169 7.532 4.104 1.00 41.35 H new ATOM 1347 N PHE A 79 1.947 5.047 0.761 1.00 13.15 N ATOM 1348 CA PHE A 79 2.520 4.725 -0.550 1.00 51.33 C ATOM 1349 C PHE A 79 1.712 3.570 -1.162 1.00 33.20 C ATOM 1350 O PHE A 79 1.825 2.437 -0.723 1.00 43.21 O ATOM 1351 CB PHE A 79 4.009 4.316 -0.370 1.00 51.01 C ATOM 1352 CG PHE A 79 4.885 5.380 0.303 1.00 53.10 C ATOM 1353 CD1 PHE A 79 4.951 5.495 1.694 1.00 30.15 C ATOM 1354 CD2 PHE A 79 5.637 6.270 -0.457 1.00 61.41 C ATOM 1355 CE1 PHE A 79 5.739 6.459 2.289 1.00 12.51 C ATOM 1356 CE2 PHE A 79 6.423 7.232 0.141 1.00 1.14 C ATOM 1357 CZ PHE A 79 6.472 7.327 1.510 1.00 15.12 C ATOM 0 H PHE A 79 2.131 4.337 1.470 1.00 13.15 H new ATOM 0 HA PHE A 79 2.475 5.588 -1.214 1.00 51.33 H new ATOM 0 HB2 PHE A 79 4.052 3.401 0.221 1.00 51.01 H new ATOM 0 HB3 PHE A 79 4.429 4.083 -1.348 1.00 51.01 H new ATOM 0 HD1 PHE A 79 4.377 4.820 2.312 1.00 30.15 H new ATOM 0 HD2 PHE A 79 5.605 6.206 -1.535 1.00 61.41 H new ATOM 0 HE1 PHE A 79 5.781 6.533 3.366 1.00 12.51 H new ATOM 0 HE2 PHE A 79 7.001 7.912 -0.468 1.00 1.14 H new ATOM 0 HZ PHE A 79 7.086 8.083 1.977 1.00 15.12 H new ATOM 1367 N LEU A 80 0.913 3.863 -2.184 1.00 53.05 N ATOM 1368 CA LEU A 80 -0.005 2.896 -2.802 1.00 42.15 C ATOM 1369 C LEU A 80 0.593 2.401 -4.122 1.00 4.31 C ATOM 1370 O LEU A 80 1.175 3.180 -4.880 1.00 31.03 O ATOM 1371 CB LEU A 80 -1.404 3.548 -3.014 1.00 75.11 C ATOM 1372 CG LEU A 80 -2.464 2.704 -3.819 1.00 4.14 C ATOM 1373 CD1 LEU A 80 -2.676 1.314 -3.204 1.00 35.44 C ATOM 1374 CD2 LEU A 80 -3.807 3.452 -3.954 1.00 74.43 C ATOM 0 H LEU A 80 0.880 4.787 -2.615 1.00 53.05 H new ATOM 0 HA LEU A 80 -0.139 2.038 -2.144 1.00 42.15 H new ATOM 0 HB2 LEU A 80 -1.824 3.777 -2.035 1.00 75.11 H new ATOM 0 HB3 LEU A 80 -1.262 4.497 -3.530 1.00 75.11 H new ATOM 0 HG LEU A 80 -2.056 2.565 -4.820 1.00 4.14 H new ATOM 0 HD11 LEU A 80 -3.414 0.766 -3.790 1.00 35.44 H new ATOM 0 HD12 LEU A 80 -1.733 0.768 -3.206 1.00 35.44 H new ATOM 0 HD13 LEU A 80 -3.032 1.420 -2.179 1.00 35.44 H new ATOM 0 HD21 LEU A 80 -4.511 2.837 -4.515 1.00 74.43 H new ATOM 0 HD22 LEU A 80 -4.212 3.654 -2.962 1.00 74.43 H new ATOM 0 HD23 LEU A 80 -3.648 4.393 -4.480 1.00 74.43 H new ATOM 1386 N LEU A 81 0.447 1.097 -4.375 1.00 21.42 N ATOM 1387 CA LEU A 81 0.917 0.453 -5.604 1.00 51.24 C ATOM 1388 C LEU A 81 -0.177 -0.479 -6.137 1.00 20.42 C ATOM 1389 O LEU A 81 -0.759 -1.260 -5.378 1.00 43.43 O ATOM 1390 CB LEU A 81 2.214 -0.335 -5.335 1.00 2.44 C ATOM 1391 CG LEU A 81 2.915 -0.939 -6.594 1.00 52.00 C ATOM 1392 CD1 LEU A 81 3.292 0.160 -7.615 1.00 73.55 C ATOM 1393 CD2 LEU A 81 4.138 -1.768 -6.186 1.00 63.11 C ATOM 0 H LEU A 81 -0.005 0.453 -3.726 1.00 21.42 H new ATOM 0 HA LEU A 81 1.134 1.216 -6.351 1.00 51.24 H new ATOM 0 HB2 LEU A 81 2.920 0.325 -4.831 1.00 2.44 H new ATOM 0 HB3 LEU A 81 1.987 -1.147 -4.644 1.00 2.44 H new ATOM 0 HG LEU A 81 2.206 -1.604 -7.087 1.00 52.00 H new ATOM 0 HD11 LEU A 81 3.778 -0.296 -8.478 1.00 73.55 H new ATOM 0 HD12 LEU A 81 2.391 0.680 -7.939 1.00 73.55 H new ATOM 0 HD13 LEU A 81 3.974 0.871 -7.149 1.00 73.55 H new ATOM 0 HD21 LEU A 81 4.612 -2.180 -7.077 1.00 63.11 H new ATOM 0 HD22 LEU A 81 4.849 -1.132 -5.658 1.00 63.11 H new ATOM 0 HD23 LEU A 81 3.824 -2.582 -5.533 1.00 63.11 H new ATOM 1405 N LEU A 82 -0.446 -0.374 -7.447 1.00 63.35 N ATOM 1406 CA LEU A 82 -1.520 -1.114 -8.131 1.00 51.22 C ATOM 1407 C LEU A 82 -0.912 -1.972 -9.249 1.00 15.23 C ATOM 1408 O LEU A 82 -0.362 -1.424 -10.191 1.00 22.54 O ATOM 1409 CB LEU A 82 -2.525 -0.085 -8.709 1.00 41.11 C ATOM 1410 CG LEU A 82 -3.166 0.881 -7.663 1.00 33.42 C ATOM 1411 CD1 LEU A 82 -4.041 1.949 -8.333 1.00 13.21 C ATOM 1412 CD2 LEU A 82 -3.949 0.086 -6.593 1.00 1.01 C ATOM 0 H LEU A 82 0.083 0.235 -8.071 1.00 63.35 H new ATOM 0 HA LEU A 82 -2.040 -1.775 -7.438 1.00 51.22 H new ATOM 0 HB2 LEU A 82 -2.015 0.512 -9.465 1.00 41.11 H new ATOM 0 HB3 LEU A 82 -3.323 -0.627 -9.216 1.00 41.11 H new ATOM 0 HG LEU A 82 -2.357 1.411 -7.160 1.00 33.42 H new ATOM 0 HD11 LEU A 82 -4.468 2.600 -7.570 1.00 13.21 H new ATOM 0 HD12 LEU A 82 -3.433 2.541 -9.017 1.00 13.21 H new ATOM 0 HD13 LEU A 82 -4.845 1.465 -8.888 1.00 13.21 H new ATOM 0 HD21 LEU A 82 -4.388 0.778 -5.874 1.00 1.01 H new ATOM 0 HD22 LEU A 82 -4.741 -0.488 -7.074 1.00 1.01 H new ATOM 0 HD23 LEU A 82 -3.271 -0.593 -6.076 1.00 1.01 H new ATOM 1424 N ALA A 83 -1.014 -3.317 -9.146 1.00 52.31 N ATOM 1425 CA ALA A 83 -0.349 -4.244 -10.091 1.00 72.44 C ATOM 1426 C ALA A 83 -1.320 -5.315 -10.632 1.00 72.03 C ATOM 1427 O ALA A 83 -1.758 -6.224 -9.897 1.00 62.04 O ATOM 1428 CB ALA A 83 0.871 -4.904 -9.429 1.00 42.23 C ATOM 0 H ALA A 83 -1.552 -3.785 -8.417 1.00 52.31 H new ATOM 0 HA ALA A 83 -0.012 -3.654 -10.943 1.00 72.44 H new ATOM 0 HB1 ALA A 83 1.347 -5.582 -10.138 1.00 42.23 H new ATOM 0 HB2 ALA A 83 1.582 -4.135 -9.128 1.00 42.23 H new ATOM 0 HB3 ALA A 83 0.550 -5.464 -8.551 1.00 42.23 H new ATOM 1434 N ASP A 84 -1.639 -5.163 -11.929 1.00 73.11 N ATOM 1435 CA ASP A 84 -2.394 -6.133 -12.742 1.00 31.52 C ATOM 1436 C ASP A 84 -2.541 -5.539 -14.172 1.00 51.32 C ATOM 1437 O ASP A 84 -2.212 -4.365 -14.404 1.00 25.41 O ATOM 1438 CB ASP A 84 -3.792 -6.469 -12.121 1.00 74.11 C ATOM 1439 CG ASP A 84 -4.549 -7.595 -12.861 1.00 13.42 C ATOM 1440 OD1 ASP A 84 -4.214 -8.774 -12.676 1.00 43.20 O ATOM 1441 OD2 ASP A 84 -5.449 -7.304 -13.671 1.00 52.14 O ATOM 0 H ASP A 84 -1.369 -4.334 -12.458 1.00 73.11 H new ATOM 0 HA ASP A 84 -1.851 -7.077 -12.775 1.00 31.52 H new ATOM 0 HB2 ASP A 84 -3.656 -6.759 -11.079 1.00 74.11 H new ATOM 0 HB3 ASP A 84 -4.406 -5.569 -12.124 1.00 74.11 H new ATOM 1446 N GLN A 85 -3.023 -6.358 -15.120 1.00 43.21 N ATOM 1447 CA GLN A 85 -3.240 -5.943 -16.515 1.00 2.01 C ATOM 1448 C GLN A 85 -4.609 -5.228 -16.693 1.00 45.14 C ATOM 1449 O GLN A 85 -4.949 -4.826 -17.817 1.00 10.33 O ATOM 1450 CB GLN A 85 -3.124 -7.184 -17.445 1.00 64.14 C ATOM 1451 CG GLN A 85 -1.806 -7.993 -17.272 1.00 35.11 C ATOM 1452 CD GLN A 85 -0.531 -7.301 -17.792 1.00 74.15 C ATOM 1453 OE1 GLN A 85 -0.437 -6.074 -17.856 1.00 22.31 O ATOM 1454 NE2 GLN A 85 0.476 -8.098 -18.130 1.00 71.02 N ATOM 0 H GLN A 85 -3.274 -7.330 -14.940 1.00 43.21 H new ATOM 0 HA GLN A 85 -2.472 -5.220 -16.790 1.00 2.01 H new ATOM 0 HB2 GLN A 85 -3.970 -7.845 -17.256 1.00 64.14 H new ATOM 0 HB3 GLN A 85 -3.201 -6.855 -18.481 1.00 64.14 H new ATOM 0 HG2 GLN A 85 -1.672 -8.215 -16.213 1.00 35.11 H new ATOM 0 HG3 GLN A 85 -1.916 -8.948 -17.786 1.00 35.11 H new ATOM 0 HE21 GLN A 85 0.369 -9.110 -18.067 1.00 71.02 H new ATOM 0 HE22 GLN A 85 1.357 -7.698 -18.453 1.00 71.02 H new ATOM 1463 N ASP A 86 -5.387 -5.035 -15.581 1.00 11.42 N ATOM 1464 CA ASP A 86 -6.672 -4.267 -15.596 1.00 31.22 C ATOM 1465 C ASP A 86 -6.382 -2.759 -15.387 1.00 61.41 C ATOM 1466 O ASP A 86 -7.174 -2.013 -14.786 1.00 52.32 O ATOM 1467 CB ASP A 86 -7.684 -4.835 -14.534 1.00 64.11 C ATOM 1468 CG ASP A 86 -7.475 -4.350 -13.069 1.00 23.51 C ATOM 1469 OD1 ASP A 86 -6.466 -4.707 -12.450 1.00 13.31 O ATOM 1470 OD2 ASP A 86 -8.351 -3.626 -12.523 1.00 3.22 O ATOM 0 H ASP A 86 -5.143 -5.403 -14.662 1.00 11.42 H new ATOM 0 HA ASP A 86 -7.149 -4.384 -16.569 1.00 31.22 H new ATOM 0 HB2 ASP A 86 -8.694 -4.568 -14.844 1.00 64.11 H new ATOM 0 HB3 ASP A 86 -7.623 -5.923 -14.548 1.00 64.11 H new ATOM 1475 N GLU A 87 -5.287 -2.314 -16.044 1.00 22.45 N ATOM 1476 CA GLU A 87 -4.632 -1.018 -15.816 1.00 65.40 C ATOM 1477 C GLU A 87 -5.575 0.185 -16.004 1.00 33.54 C ATOM 1478 O GLU A 87 -5.285 1.249 -15.495 1.00 14.14 O ATOM 1479 CB GLU A 87 -3.412 -0.862 -16.762 1.00 72.31 C ATOM 1480 CG GLU A 87 -3.764 -0.821 -18.266 1.00 65.41 C ATOM 1481 CD GLU A 87 -2.580 -0.395 -19.154 1.00 31.12 C ATOM 1482 OE1 GLU A 87 -1.790 -1.269 -19.573 1.00 71.33 O ATOM 1483 OE2 GLU A 87 -2.433 0.819 -19.422 1.00 5.01 O ATOM 0 H GLU A 87 -4.826 -2.867 -16.767 1.00 22.45 H new ATOM 0 HA GLU A 87 -4.313 -1.018 -14.774 1.00 65.40 H new ATOM 0 HB2 GLU A 87 -2.882 0.054 -16.501 1.00 72.31 H new ATOM 0 HB3 GLU A 87 -2.724 -1.689 -16.586 1.00 72.31 H new ATOM 0 HG2 GLU A 87 -4.109 -1.807 -18.579 1.00 65.41 H new ATOM 0 HG3 GLU A 87 -4.593 -0.130 -18.420 1.00 65.41 H new ATOM 1490 N ASN A 88 -6.683 -0.004 -16.758 1.00 51.51 N ATOM 1491 CA ASN A 88 -7.701 1.037 -17.000 1.00 22.40 C ATOM 1492 C ASN A 88 -8.348 1.476 -15.668 1.00 23.32 C ATOM 1493 O ASN A 88 -8.397 2.671 -15.353 1.00 13.30 O ATOM 1494 CB ASN A 88 -8.784 0.506 -17.977 1.00 62.43 C ATOM 1495 CG ASN A 88 -9.837 1.554 -18.349 1.00 2.32 C ATOM 1496 OD1 ASN A 88 -9.683 2.277 -19.332 1.00 5.41 O ATOM 1497 ND2 ASN A 88 -10.906 1.654 -17.566 1.00 72.22 N ATOM 0 H ASN A 88 -6.894 -0.890 -17.217 1.00 51.51 H new ATOM 0 HA ASN A 88 -7.216 1.903 -17.451 1.00 22.40 H new ATOM 0 HB2 ASN A 88 -8.299 0.151 -18.886 1.00 62.43 H new ATOM 0 HB3 ASN A 88 -9.281 -0.352 -17.525 1.00 62.43 H new ATOM 0 HD21 ASN A 88 -11.627 2.345 -17.773 1.00 72.22 H new ATOM 0 HD22 ASN A 88 -11.005 1.040 -16.758 1.00 72.22 H new ATOM 1504 N GLU A 89 -8.813 0.477 -14.892 1.00 45.13 N ATOM 1505 CA GLU A 89 -9.449 0.693 -13.582 1.00 24.42 C ATOM 1506 C GLU A 89 -8.417 1.201 -12.569 1.00 74.25 C ATOM 1507 O GLU A 89 -8.708 2.116 -11.799 1.00 14.11 O ATOM 1508 CB GLU A 89 -10.108 -0.615 -13.083 1.00 31.33 C ATOM 1509 CG GLU A 89 -10.789 -0.509 -11.700 1.00 73.41 C ATOM 1510 CD GLU A 89 -11.619 -1.750 -11.336 1.00 73.43 C ATOM 1511 OE1 GLU A 89 -11.042 -2.743 -10.850 1.00 63.23 O ATOM 1512 OE2 GLU A 89 -12.855 -1.744 -11.545 1.00 33.31 O ATOM 0 H GLU A 89 -8.757 -0.506 -15.160 1.00 45.13 H new ATOM 0 HA GLU A 89 -10.227 1.449 -13.689 1.00 24.42 H new ATOM 0 HB2 GLU A 89 -10.850 -0.934 -13.815 1.00 31.33 H new ATOM 0 HB3 GLU A 89 -9.348 -1.395 -13.040 1.00 31.33 H new ATOM 0 HG2 GLU A 89 -10.026 -0.354 -10.937 1.00 73.41 H new ATOM 0 HG3 GLU A 89 -11.435 0.369 -11.687 1.00 73.41 H new ATOM 1519 N LEU A 90 -7.210 0.597 -12.601 1.00 4.31 N ATOM 1520 CA LEU A 90 -6.080 0.989 -11.739 1.00 53.12 C ATOM 1521 C LEU A 90 -5.625 2.445 -12.024 1.00 42.13 C ATOM 1522 O LEU A 90 -5.165 3.141 -11.121 1.00 11.34 O ATOM 1523 CB LEU A 90 -4.881 0.018 -11.942 1.00 54.04 C ATOM 1524 CG LEU A 90 -5.135 -1.497 -11.677 1.00 30.43 C ATOM 1525 CD1 LEU A 90 -3.877 -2.342 -11.991 1.00 24.10 C ATOM 1526 CD2 LEU A 90 -5.622 -1.748 -10.236 1.00 62.14 C ATOM 0 H LEU A 90 -6.994 -0.178 -13.228 1.00 4.31 H new ATOM 0 HA LEU A 90 -6.422 0.933 -10.705 1.00 53.12 H new ATOM 0 HB2 LEU A 90 -4.529 0.127 -12.968 1.00 54.04 H new ATOM 0 HB3 LEU A 90 -4.070 0.343 -11.291 1.00 54.04 H new ATOM 0 HG LEU A 90 -5.929 -1.814 -12.353 1.00 30.43 H new ATOM 0 HD11 LEU A 90 -4.087 -3.394 -11.796 1.00 24.10 H new ATOM 0 HD12 LEU A 90 -3.605 -2.215 -13.039 1.00 24.10 H new ATOM 0 HD13 LEU A 90 -3.051 -2.014 -11.360 1.00 24.10 H new ATOM 0 HD21 LEU A 90 -5.788 -2.815 -10.089 1.00 62.14 H new ATOM 0 HD22 LEU A 90 -4.868 -1.398 -9.531 1.00 62.14 H new ATOM 0 HD23 LEU A 90 -6.554 -1.209 -10.068 1.00 62.14 H new ATOM 1538 N GLU A 91 -5.765 2.872 -13.297 1.00 44.11 N ATOM 1539 CA GLU A 91 -5.355 4.211 -13.768 1.00 22.25 C ATOM 1540 C GLU A 91 -6.290 5.279 -13.192 1.00 65.21 C ATOM 1541 O GLU A 91 -5.837 6.286 -12.644 1.00 14.24 O ATOM 1542 CB GLU A 91 -5.368 4.261 -15.325 1.00 32.23 C ATOM 1543 CG GLU A 91 -4.909 5.590 -15.955 1.00 53.34 C ATOM 1544 CD GLU A 91 -3.466 5.985 -15.581 1.00 14.10 C ATOM 1545 OE1 GLU A 91 -2.522 5.281 -15.999 1.00 15.33 O ATOM 1546 OE2 GLU A 91 -3.265 6.995 -14.862 1.00 1.25 O ATOM 0 H GLU A 91 -6.169 2.292 -14.032 1.00 44.11 H new ATOM 0 HA GLU A 91 -4.341 4.411 -13.423 1.00 22.25 H new ATOM 0 HB2 GLU A 91 -4.729 3.462 -15.701 1.00 32.23 H new ATOM 0 HB3 GLU A 91 -6.380 4.048 -15.669 1.00 32.23 H new ATOM 0 HG2 GLU A 91 -4.986 5.514 -17.040 1.00 53.34 H new ATOM 0 HG3 GLU A 91 -5.587 6.384 -15.642 1.00 53.34 H new ATOM 1553 N GLU A 92 -7.599 5.029 -13.310 1.00 23.21 N ATOM 1554 CA GLU A 92 -8.638 5.925 -12.787 1.00 4.41 C ATOM 1555 C GLU A 92 -8.570 5.990 -11.249 1.00 53.42 C ATOM 1556 O GLU A 92 -8.652 7.073 -10.668 1.00 71.33 O ATOM 1557 CB GLU A 92 -10.024 5.439 -13.258 1.00 53.34 C ATOM 1558 CG GLU A 92 -10.205 5.457 -14.787 1.00 40.32 C ATOM 1559 CD GLU A 92 -11.587 4.951 -15.215 1.00 24.34 C ATOM 1560 OE1 GLU A 92 -12.575 5.701 -15.046 1.00 62.22 O ATOM 1561 OE2 GLU A 92 -11.699 3.811 -15.719 1.00 1.32 O ATOM 0 H GLU A 92 -7.969 4.198 -13.772 1.00 23.21 H new ATOM 0 HA GLU A 92 -8.471 6.931 -13.171 1.00 4.41 H new ATOM 0 HB2 GLU A 92 -10.185 4.424 -12.895 1.00 53.34 H new ATOM 0 HB3 GLU A 92 -10.792 6.066 -12.804 1.00 53.34 H new ATOM 0 HG2 GLU A 92 -10.062 6.473 -15.156 1.00 40.32 H new ATOM 0 HG3 GLU A 92 -9.435 4.839 -15.249 1.00 40.32 H new ATOM 1568 N PHE A 93 -8.363 4.812 -10.632 1.00 23.25 N ATOM 1569 CA PHE A 93 -8.264 4.647 -9.172 1.00 34.11 C ATOM 1570 C PHE A 93 -7.097 5.481 -8.607 1.00 2.11 C ATOM 1571 O PHE A 93 -7.301 6.265 -7.667 1.00 75.33 O ATOM 1572 CB PHE A 93 -8.115 3.128 -8.832 1.00 60.05 C ATOM 1573 CG PHE A 93 -7.968 2.751 -7.350 1.00 65.14 C ATOM 1574 CD1 PHE A 93 -8.492 3.544 -6.329 1.00 31.14 C ATOM 1575 CD2 PHE A 93 -7.306 1.580 -6.983 1.00 31.53 C ATOM 1576 CE1 PHE A 93 -8.338 3.189 -5.007 1.00 13.23 C ATOM 1577 CE2 PHE A 93 -7.159 1.230 -5.652 1.00 14.13 C ATOM 1578 CZ PHE A 93 -7.677 2.031 -4.668 1.00 71.20 C ATOM 0 H PHE A 93 -8.258 3.935 -11.143 1.00 23.25 H new ATOM 0 HA PHE A 93 -9.174 5.016 -8.700 1.00 34.11 H new ATOM 0 HB2 PHE A 93 -8.986 2.606 -9.228 1.00 60.05 H new ATOM 0 HB3 PHE A 93 -7.245 2.746 -9.366 1.00 60.05 H new ATOM 0 HD1 PHE A 93 -9.026 4.449 -6.579 1.00 31.14 H new ATOM 0 HD2 PHE A 93 -6.901 0.936 -7.750 1.00 31.53 H new ATOM 0 HE1 PHE A 93 -8.739 3.824 -4.231 1.00 13.23 H new ATOM 0 HE2 PHE A 93 -6.635 0.323 -5.388 1.00 14.13 H new ATOM 0 HZ PHE A 93 -7.567 1.754 -3.630 1.00 71.20 H new ATOM 1588 N LYS A 94 -5.889 5.350 -9.213 1.00 74.04 N ATOM 1589 CA LYS A 94 -4.694 6.063 -8.728 1.00 0.04 C ATOM 1590 C LYS A 94 -4.860 7.591 -8.851 1.00 23.50 C ATOM 1591 O LYS A 94 -4.264 8.329 -8.078 1.00 34.50 O ATOM 1592 CB LYS A 94 -3.376 5.544 -9.410 1.00 31.35 C ATOM 1593 CG LYS A 94 -3.207 5.729 -10.943 1.00 24.23 C ATOM 1594 CD LYS A 94 -2.764 7.149 -11.393 1.00 4.20 C ATOM 1595 CE LYS A 94 -1.436 7.603 -10.763 1.00 3.31 C ATOM 1596 NZ LYS A 94 -1.005 8.922 -11.289 1.00 3.34 N ATOM 0 H LYS A 94 -5.724 4.762 -10.030 1.00 74.04 H new ATOM 0 HA LYS A 94 -4.593 5.840 -7.666 1.00 0.04 H new ATOM 0 HB2 LYS A 94 -2.535 6.038 -8.923 1.00 31.35 H new ATOM 0 HB3 LYS A 94 -3.289 4.479 -9.194 1.00 31.35 H new ATOM 0 HG2 LYS A 94 -2.474 5.006 -11.301 1.00 24.23 H new ATOM 0 HG3 LYS A 94 -4.153 5.490 -11.428 1.00 24.23 H new ATOM 0 HD2 LYS A 94 -2.667 7.164 -12.479 1.00 4.20 H new ATOM 0 HD3 LYS A 94 -3.544 7.864 -11.133 1.00 4.20 H new ATOM 0 HE2 LYS A 94 -1.547 7.661 -9.680 1.00 3.31 H new ATOM 0 HE3 LYS A 94 -0.664 6.860 -10.965 1.00 3.31 H new ATOM 0 HZ1 LYS A 94 -0.418 9.404 -10.579 1.00 3.34 H new ATOM 0 HZ2 LYS A 94 -0.453 8.785 -12.159 1.00 3.34 H new ATOM 0 HZ3 LYS A 94 -1.842 9.503 -11.498 1.00 3.34 H new ATOM 1610 N ARG A 95 -5.685 8.045 -9.822 1.00 73.11 N ATOM 1611 CA ARG A 95 -5.953 9.481 -10.046 1.00 33.14 C ATOM 1612 C ARG A 95 -6.778 10.093 -8.895 1.00 41.03 C ATOM 1613 O ARG A 95 -6.540 11.246 -8.522 1.00 15.14 O ATOM 1614 CB ARG A 95 -6.643 9.693 -11.426 1.00 43.25 C ATOM 1615 CG ARG A 95 -5.702 9.402 -12.611 1.00 10.40 C ATOM 1616 CD ARG A 95 -6.374 9.459 -13.992 1.00 15.54 C ATOM 1617 NE ARG A 95 -5.415 9.103 -15.056 1.00 61.13 N ATOM 1618 CZ ARG A 95 -5.679 9.066 -16.373 1.00 24.32 C ATOM 1619 NH1 ARG A 95 -6.877 9.363 -16.839 1.00 11.21 N ATOM 1620 NH2 ARG A 95 -4.714 8.721 -17.210 1.00 64.01 N ATOM 0 H ARG A 95 -6.180 7.430 -10.467 1.00 73.11 H new ATOM 0 HA ARG A 95 -4.998 10.007 -10.060 1.00 33.14 H new ATOM 0 HB2 ARG A 95 -7.517 9.046 -11.494 1.00 43.25 H new ATOM 0 HB3 ARG A 95 -7.001 10.720 -11.495 1.00 43.25 H new ATOM 0 HG2 ARG A 95 -4.882 10.120 -12.591 1.00 10.40 H new ATOM 0 HG3 ARG A 95 -5.264 8.413 -12.475 1.00 10.40 H new ATOM 0 HD2 ARG A 95 -7.222 8.775 -14.017 1.00 15.54 H new ATOM 0 HD3 ARG A 95 -6.766 10.460 -14.170 1.00 15.54 H new ATOM 0 HE ARG A 95 -4.467 8.864 -14.766 1.00 61.13 H new ATOM 0 HH11 ARG A 95 -7.623 9.627 -16.196 1.00 11.21 H new ATOM 0 HH12 ARG A 95 -7.057 9.329 -17.842 1.00 11.21 H new ATOM 0 HH21 ARG A 95 -3.788 8.488 -16.852 1.00 64.01 H new ATOM 0 HH22 ARG A 95 -4.897 8.688 -18.213 1.00 64.01 H new ATOM 1634 N LYS A 96 -7.730 9.307 -8.335 1.00 44.41 N ATOM 1635 CA LYS A 96 -8.546 9.724 -7.162 1.00 63.35 C ATOM 1636 C LYS A 96 -7.659 9.873 -5.904 1.00 22.32 C ATOM 1637 O LYS A 96 -7.780 10.844 -5.147 1.00 31.34 O ATOM 1638 CB LYS A 96 -9.710 8.709 -6.875 1.00 53.23 C ATOM 1639 CG LYS A 96 -11.057 8.936 -7.623 1.00 5.14 C ATOM 1640 CD LYS A 96 -11.078 8.493 -9.117 1.00 54.44 C ATOM 1641 CE LYS A 96 -10.611 9.579 -10.101 1.00 63.44 C ATOM 1642 NZ LYS A 96 -10.688 9.118 -11.509 1.00 10.51 N ATOM 0 H LYS A 96 -7.955 8.373 -8.678 1.00 44.41 H new ATOM 0 HA LYS A 96 -8.989 10.690 -7.404 1.00 63.35 H new ATOM 0 HB2 LYS A 96 -9.353 7.709 -7.120 1.00 53.23 H new ATOM 0 HB3 LYS A 96 -9.913 8.722 -5.804 1.00 53.23 H new ATOM 0 HG2 LYS A 96 -11.842 8.399 -7.092 1.00 5.14 H new ATOM 0 HG3 LYS A 96 -11.306 9.996 -7.573 1.00 5.14 H new ATOM 0 HD2 LYS A 96 -10.443 7.615 -9.233 1.00 54.44 H new ATOM 0 HD3 LYS A 96 -12.091 8.190 -9.381 1.00 54.44 H new ATOM 0 HE2 LYS A 96 -11.226 10.471 -9.977 1.00 63.44 H new ATOM 0 HE3 LYS A 96 -9.585 9.864 -9.868 1.00 63.44 H new ATOM 0 HZ1 LYS A 96 -10.413 9.895 -12.144 1.00 10.51 H new ATOM 0 HZ2 LYS A 96 -10.043 8.314 -11.647 1.00 10.51 H new ATOM 0 HZ3 LYS A 96 -11.661 8.822 -11.725 1.00 10.51 H new ATOM 1656 N ILE A 97 -6.774 8.889 -5.714 1.00 13.32 N ATOM 1657 CA ILE A 97 -5.897 8.785 -4.531 1.00 54.52 C ATOM 1658 C ILE A 97 -4.810 9.890 -4.556 1.00 25.24 C ATOM 1659 O ILE A 97 -4.488 10.504 -3.528 1.00 13.23 O ATOM 1660 CB ILE A 97 -5.256 7.341 -4.479 1.00 44.51 C ATOM 1661 CG1 ILE A 97 -6.378 6.245 -4.491 1.00 44.23 C ATOM 1662 CG2 ILE A 97 -4.314 7.159 -3.272 1.00 55.45 C ATOM 1663 CD1 ILE A 97 -7.454 6.398 -3.418 1.00 34.31 C ATOM 0 H ILE A 97 -6.641 8.130 -6.383 1.00 13.32 H new ATOM 0 HA ILE A 97 -6.488 8.935 -3.627 1.00 54.52 H new ATOM 0 HB ILE A 97 -4.642 7.225 -5.372 1.00 44.51 H new ATOM 0 HG12 ILE A 97 -6.860 6.253 -5.469 1.00 44.23 H new ATOM 0 HG13 ILE A 97 -5.909 5.268 -4.375 1.00 44.23 H new ATOM 0 HG21 ILE A 97 -3.900 6.151 -3.282 1.00 55.45 H new ATOM 0 HG22 ILE A 97 -3.503 7.885 -3.331 1.00 55.45 H new ATOM 0 HG23 ILE A 97 -4.872 7.312 -2.348 1.00 55.45 H new ATOM 0 HD11 ILE A 97 -8.180 5.591 -3.514 1.00 34.31 H new ATOM 0 HD12 ILE A 97 -6.993 6.356 -2.431 1.00 34.31 H new ATOM 0 HD13 ILE A 97 -7.958 7.356 -3.542 1.00 34.31 H new ATOM 1675 N GLU A 98 -4.304 10.147 -5.768 1.00 75.31 N ATOM 1676 CA GLU A 98 -3.317 11.202 -6.062 1.00 60.05 C ATOM 1677 C GLU A 98 -3.939 12.601 -5.901 1.00 64.43 C ATOM 1678 O GLU A 98 -3.261 13.550 -5.487 1.00 42.55 O ATOM 1679 CB GLU A 98 -2.797 10.985 -7.501 1.00 32.24 C ATOM 1680 CG GLU A 98 -1.669 11.918 -7.960 1.00 21.30 C ATOM 1681 CD GLU A 98 -1.122 11.506 -9.335 1.00 31.41 C ATOM 1682 OE1 GLU A 98 -1.783 11.796 -10.355 1.00 12.42 O ATOM 1683 OE2 GLU A 98 -0.047 10.862 -9.403 1.00 42.14 O ATOM 0 H GLU A 98 -4.574 9.615 -6.595 1.00 75.31 H new ATOM 0 HA GLU A 98 -2.488 11.143 -5.357 1.00 60.05 H new ATOM 0 HB2 GLU A 98 -2.448 9.956 -7.588 1.00 32.24 H new ATOM 0 HB3 GLU A 98 -3.635 11.096 -8.189 1.00 32.24 H new ATOM 0 HG2 GLU A 98 -2.039 12.942 -8.006 1.00 21.30 H new ATOM 0 HG3 GLU A 98 -0.862 11.903 -7.227 1.00 21.30 H new ATOM 1690 N SER A 99 -5.248 12.702 -6.214 1.00 73.04 N ATOM 1691 CA SER A 99 -6.024 13.948 -6.073 1.00 72.35 C ATOM 1692 C SER A 99 -6.213 14.320 -4.586 1.00 31.03 C ATOM 1693 O SER A 99 -6.467 15.482 -4.263 1.00 12.21 O ATOM 1694 CB SER A 99 -7.396 13.799 -6.773 1.00 24.33 C ATOM 1695 OG SER A 99 -8.115 15.022 -6.804 1.00 34.32 O ATOM 0 H SER A 99 -5.796 11.919 -6.572 1.00 73.04 H new ATOM 0 HA SER A 99 -5.468 14.755 -6.551 1.00 72.35 H new ATOM 0 HB2 SER A 99 -7.246 13.441 -7.792 1.00 24.33 H new ATOM 0 HB3 SER A 99 -7.987 13.044 -6.254 1.00 24.33 H new ATOM 0 HG SER A 99 -8.974 14.885 -7.255 1.00 34.32 H new ATOM 1701 N GLN A 100 -6.097 13.313 -3.695 1.00 75.15 N ATOM 1702 CA GLN A 100 -6.159 13.507 -2.230 1.00 5.11 C ATOM 1703 C GLN A 100 -4.742 13.623 -1.620 1.00 41.12 C ATOM 1704 O GLN A 100 -4.586 13.600 -0.395 1.00 25.10 O ATOM 1705 CB GLN A 100 -6.952 12.340 -1.580 1.00 53.03 C ATOM 1706 CG GLN A 100 -8.407 12.226 -2.060 1.00 74.43 C ATOM 1707 CD GLN A 100 -9.180 11.103 -1.378 1.00 51.54 C ATOM 1708 OE1 GLN A 100 -9.794 11.307 -0.332 1.00 43.34 O ATOM 1709 NE2 GLN A 100 -9.147 9.909 -1.950 1.00 40.10 N ATOM 0 H GLN A 100 -5.958 12.341 -3.971 1.00 75.15 H new ATOM 0 HA GLN A 100 -6.678 14.443 -2.024 1.00 5.11 H new ATOM 0 HB2 GLN A 100 -6.437 11.403 -1.791 1.00 53.03 H new ATOM 0 HB3 GLN A 100 -6.947 12.470 -0.498 1.00 53.03 H new ATOM 0 HG2 GLN A 100 -8.918 13.172 -1.878 1.00 74.43 H new ATOM 0 HG3 GLN A 100 -8.415 12.061 -3.137 1.00 74.43 H new ATOM 0 HE21 GLN A 100 -8.628 9.773 -2.818 1.00 40.10 H new ATOM 0 HE22 GLN A 100 -9.640 9.125 -1.523 1.00 40.10 H new ATOM 1718 N GLY A 101 -3.714 13.728 -2.489 1.00 61.13 N ATOM 1719 CA GLY A 101 -2.336 14.007 -2.065 1.00 43.23 C ATOM 1720 C GLY A 101 -1.534 12.780 -1.646 1.00 75.12 C ATOM 1721 O GLY A 101 -0.339 12.911 -1.348 1.00 55.43 O ATOM 0 H GLY A 101 -3.821 13.621 -3.498 1.00 61.13 H new ATOM 0 HA2 GLY A 101 -1.813 14.503 -2.882 1.00 43.23 H new ATOM 0 HA3 GLY A 101 -2.363 14.708 -1.231 1.00 43.23 H new ATOM 1725 N TYR A 102 -2.173 11.593 -1.617 1.00 61.22 N ATOM 1726 CA TYR A 102 -1.485 10.333 -1.260 1.00 63.42 C ATOM 1727 C TYR A 102 -0.495 9.936 -2.365 1.00 13.30 C ATOM 1728 O TYR A 102 -0.782 10.114 -3.558 1.00 52.22 O ATOM 1729 CB TYR A 102 -2.492 9.179 -1.045 1.00 62.22 C ATOM 1730 CG TYR A 102 -3.444 9.362 0.143 1.00 14.43 C ATOM 1731 CD1 TYR A 102 -3.039 9.041 1.439 1.00 2.42 C ATOM 1732 CD2 TYR A 102 -4.746 9.838 -0.033 1.00 22.04 C ATOM 1733 CE1 TYR A 102 -3.893 9.200 2.513 1.00 31.32 C ATOM 1734 CE2 TYR A 102 -5.600 9.996 1.039 1.00 61.12 C ATOM 1735 CZ TYR A 102 -5.172 9.672 2.308 1.00 14.41 C ATOM 1736 OH TYR A 102 -6.024 9.822 3.379 1.00 70.35 O ATOM 0 H TYR A 102 -3.163 11.479 -1.836 1.00 61.22 H new ATOM 0 HA TYR A 102 -0.949 10.507 -0.327 1.00 63.42 H new ATOM 0 HB2 TYR A 102 -3.085 9.061 -1.952 1.00 62.22 H new ATOM 0 HB3 TYR A 102 -1.935 8.252 -0.906 1.00 62.22 H new ATOM 0 HD1 TYR A 102 -2.041 8.662 1.605 1.00 2.42 H new ATOM 0 HD2 TYR A 102 -5.090 10.087 -1.026 1.00 22.04 H new ATOM 0 HE1 TYR A 102 -3.560 8.955 3.511 1.00 31.32 H new ATOM 0 HE2 TYR A 102 -6.600 10.372 0.884 1.00 61.12 H new ATOM 0 HH TYR A 102 -6.671 9.086 3.388 1.00 70.35 H new ATOM 1746 N GLU A 103 0.661 9.393 -1.950 1.00 10.10 N ATOM 1747 CA GLU A 103 1.674 8.871 -2.868 1.00 34.23 C ATOM 1748 C GLU A 103 1.152 7.571 -3.475 1.00 73.11 C ATOM 1749 O GLU A 103 0.821 6.652 -2.736 1.00 72.50 O ATOM 1750 CB GLU A 103 3.008 8.619 -2.116 1.00 43.21 C ATOM 1751 CG GLU A 103 4.181 8.163 -3.016 1.00 22.50 C ATOM 1752 CD GLU A 103 4.521 9.170 -4.126 1.00 60.24 C ATOM 1753 OE1 GLU A 103 4.636 10.384 -3.822 1.00 32.03 O ATOM 1754 OE2 GLU A 103 4.660 8.769 -5.306 1.00 31.22 O ATOM 0 H GLU A 103 0.915 9.306 -0.966 1.00 10.10 H new ATOM 0 HA GLU A 103 1.867 9.597 -3.657 1.00 34.23 H new ATOM 0 HB2 GLU A 103 3.298 9.535 -1.601 1.00 43.21 H new ATOM 0 HB3 GLU A 103 2.840 7.862 -1.350 1.00 43.21 H new ATOM 0 HG2 GLU A 103 5.064 8.003 -2.397 1.00 22.50 H new ATOM 0 HG3 GLU A 103 3.931 7.204 -3.469 1.00 22.50 H new ATOM 1761 N VAL A 104 0.999 7.544 -4.803 1.00 4.04 N ATOM 1762 CA VAL A 104 0.532 6.361 -5.536 1.00 52.43 C ATOM 1763 C VAL A 104 1.283 6.208 -6.876 1.00 10.54 C ATOM 1764 O VAL A 104 1.626 7.201 -7.530 1.00 31.23 O ATOM 1765 CB VAL A 104 -1.022 6.422 -5.778 1.00 24.25 C ATOM 1766 CG1 VAL A 104 -1.433 7.685 -6.572 1.00 13.33 C ATOM 1767 CG2 VAL A 104 -1.545 5.129 -6.455 1.00 11.11 C ATOM 0 H VAL A 104 1.196 8.345 -5.403 1.00 4.04 H new ATOM 0 HA VAL A 104 0.746 5.486 -4.923 1.00 52.43 H new ATOM 0 HB VAL A 104 -1.495 6.492 -4.798 1.00 24.25 H new ATOM 0 HG11 VAL A 104 -2.513 7.688 -6.717 1.00 13.33 H new ATOM 0 HG12 VAL A 104 -1.139 8.576 -6.017 1.00 13.33 H new ATOM 0 HG13 VAL A 104 -0.937 7.682 -7.542 1.00 13.33 H new ATOM 0 HG21 VAL A 104 -2.622 5.207 -6.606 1.00 11.11 H new ATOM 0 HG22 VAL A 104 -1.052 4.998 -7.418 1.00 11.11 H new ATOM 0 HG23 VAL A 104 -1.330 4.272 -5.817 1.00 11.11 H new ATOM 1777 N ARG A 105 1.531 4.946 -7.255 1.00 14.23 N ATOM 1778 CA ARG A 105 2.034 4.557 -8.583 1.00 13.45 C ATOM 1779 C ARG A 105 1.222 3.355 -9.081 1.00 51.24 C ATOM 1780 O ARG A 105 0.679 2.577 -8.285 1.00 24.32 O ATOM 1781 CB ARG A 105 3.548 4.198 -8.533 1.00 2.32 C ATOM 1782 CG ARG A 105 4.499 5.407 -8.359 1.00 52.35 C ATOM 1783 CD ARG A 105 4.560 6.315 -9.604 1.00 41.54 C ATOM 1784 NE ARG A 105 5.071 5.590 -10.788 1.00 61.10 N ATOM 1785 CZ ARG A 105 5.216 6.103 -12.026 1.00 53.32 C ATOM 1786 NH1 ARG A 105 4.909 7.367 -12.288 1.00 73.10 N ATOM 1787 NH2 ARG A 105 5.656 5.326 -13.005 1.00 35.32 N ATOM 0 H ARG A 105 1.385 4.150 -6.635 1.00 14.23 H new ATOM 0 HA ARG A 105 1.920 5.398 -9.266 1.00 13.45 H new ATOM 0 HB2 ARG A 105 3.715 3.502 -7.711 1.00 2.32 H new ATOM 0 HB3 ARG A 105 3.813 3.675 -9.452 1.00 2.32 H new ATOM 0 HG2 ARG A 105 4.173 5.997 -7.502 1.00 52.35 H new ATOM 0 HG3 ARG A 105 5.501 5.043 -8.133 1.00 52.35 H new ATOM 0 HD2 ARG A 105 3.565 6.705 -9.818 1.00 41.54 H new ATOM 0 HD3 ARG A 105 5.201 7.172 -9.398 1.00 41.54 H new ATOM 0 HE ARG A 105 5.338 4.614 -10.656 1.00 61.10 H new ATOM 0 HH11 ARG A 105 4.556 7.970 -11.545 1.00 73.10 H new ATOM 0 HH12 ARG A 105 5.026 7.735 -13.232 1.00 73.10 H new ATOM 0 HH21 ARG A 105 5.882 4.349 -12.818 1.00 35.32 H new ATOM 0 HH22 ARG A 105 5.769 5.705 -13.945 1.00 35.32 H new ATOM 1801 N LYS A 106 1.139 3.224 -10.410 1.00 34.30 N ATOM 1802 CA LYS A 106 0.500 2.081 -11.073 1.00 62.30 C ATOM 1803 C LYS A 106 1.545 1.349 -11.922 1.00 43.31 C ATOM 1804 O LYS A 106 2.388 1.978 -12.571 1.00 3.24 O ATOM 1805 CB LYS A 106 -0.669 2.540 -11.978 1.00 50.25 C ATOM 1806 CG LYS A 106 -1.466 1.370 -12.619 1.00 1.54 C ATOM 1807 CD LYS A 106 -2.393 1.804 -13.779 1.00 44.13 C ATOM 1808 CE LYS A 106 -1.669 1.997 -15.125 1.00 64.23 C ATOM 1809 NZ LYS A 106 -0.754 3.164 -15.143 1.00 61.10 N ATOM 0 H LYS A 106 1.516 3.913 -11.061 1.00 34.30 H new ATOM 0 HA LYS A 106 0.097 1.416 -10.309 1.00 62.30 H new ATOM 0 HB2 LYS A 106 -1.352 3.153 -11.390 1.00 50.25 H new ATOM 0 HB3 LYS A 106 -0.274 3.175 -12.771 1.00 50.25 H new ATOM 0 HG2 LYS A 106 -0.763 0.624 -12.989 1.00 1.54 H new ATOM 0 HG3 LYS A 106 -2.067 0.887 -11.848 1.00 1.54 H new ATOM 0 HD2 LYS A 106 -3.176 1.056 -13.904 1.00 44.13 H new ATOM 0 HD3 LYS A 106 -2.885 2.738 -13.506 1.00 44.13 H new ATOM 0 HE2 LYS A 106 -1.100 1.096 -15.355 1.00 64.23 H new ATOM 0 HE3 LYS A 106 -2.412 2.115 -15.914 1.00 64.23 H new ATOM 0 HZ1 LYS A 106 -0.673 3.527 -16.114 1.00 61.10 H new ATOM 0 HZ2 LYS A 106 -1.131 3.911 -14.525 1.00 61.10 H new ATOM 0 HZ3 LYS A 106 0.185 2.874 -14.802 1.00 61.10 H new ATOM 1823 N VAL A 107 1.473 0.022 -11.907 1.00 54.20 N ATOM 1824 CA VAL A 107 2.321 -0.876 -12.697 1.00 74.50 C ATOM 1825 C VAL A 107 1.439 -1.957 -13.339 1.00 62.44 C ATOM 1826 O VAL A 107 0.294 -2.181 -12.918 1.00 61.42 O ATOM 1827 CB VAL A 107 3.446 -1.545 -11.819 1.00 62.01 C ATOM 1828 CG1 VAL A 107 4.448 -0.503 -11.291 1.00 1.21 C ATOM 1829 CG2 VAL A 107 2.836 -2.332 -10.657 1.00 32.32 C ATOM 0 H VAL A 107 0.801 -0.479 -11.326 1.00 54.20 H new ATOM 0 HA VAL A 107 2.820 -0.289 -13.468 1.00 74.50 H new ATOM 0 HB VAL A 107 3.990 -2.237 -12.462 1.00 62.01 H new ATOM 0 HG11 VAL A 107 5.209 -1.002 -10.690 1.00 1.21 H new ATOM 0 HG12 VAL A 107 4.923 0.003 -12.131 1.00 1.21 H new ATOM 0 HG13 VAL A 107 3.923 0.229 -10.677 1.00 1.21 H new ATOM 0 HG21 VAL A 107 3.632 -2.784 -10.066 1.00 32.32 H new ATOM 0 HG22 VAL A 107 2.254 -1.659 -10.027 1.00 32.32 H new ATOM 0 HG23 VAL A 107 2.186 -3.114 -11.049 1.00 32.32 H new ATOM 1839 N THR A 108 1.979 -2.604 -14.367 1.00 12.53 N ATOM 1840 CA THR A 108 1.295 -3.669 -15.123 1.00 34.15 C ATOM 1841 C THR A 108 2.115 -4.971 -15.090 1.00 42.42 C ATOM 1842 O THR A 108 1.653 -6.019 -15.552 1.00 2.43 O ATOM 1843 CB THR A 108 1.067 -3.218 -16.604 1.00 34.22 C ATOM 1844 OG1 THR A 108 2.326 -2.834 -17.203 1.00 44.34 O ATOM 1845 CG2 THR A 108 0.076 -2.046 -16.704 1.00 60.22 C ATOM 0 H THR A 108 2.919 -2.406 -14.710 1.00 12.53 H new ATOM 0 HA THR A 108 0.329 -3.856 -14.655 1.00 34.15 H new ATOM 0 HB THR A 108 0.640 -4.066 -17.140 1.00 34.22 H new ATOM 0 HG1 THR A 108 2.951 -3.588 -17.163 1.00 44.34 H new ATOM 0 HG21 THR A 108 -0.052 -1.766 -17.750 1.00 60.22 H new ATOM 0 HG22 THR A 108 -0.886 -2.346 -16.288 1.00 60.22 H new ATOM 0 HG23 THR A 108 0.463 -1.194 -16.145 1.00 60.22 H new ATOM 1853 N ASP A 109 3.340 -4.888 -14.542 1.00 22.14 N ATOM 1854 CA ASP A 109 4.286 -6.017 -14.480 1.00 22.40 C ATOM 1855 C ASP A 109 4.681 -6.303 -13.028 1.00 21.25 C ATOM 1856 O ASP A 109 4.595 -5.424 -12.158 1.00 45.23 O ATOM 1857 CB ASP A 109 5.541 -5.717 -15.340 1.00 32.14 C ATOM 1858 CG ASP A 109 5.201 -5.469 -16.819 1.00 15.22 C ATOM 1859 OD1 ASP A 109 5.034 -6.450 -17.579 1.00 73.21 O ATOM 1860 OD2 ASP A 109 5.067 -4.294 -17.231 1.00 31.31 O ATOM 0 H ASP A 109 3.704 -4.030 -14.127 1.00 22.14 H new ATOM 0 HA ASP A 109 3.797 -6.904 -14.883 1.00 22.40 H new ATOM 0 HB2 ASP A 109 6.052 -4.842 -14.937 1.00 32.14 H new ATOM 0 HB3 ASP A 109 6.235 -6.554 -15.266 1.00 32.14 H new ATOM 1865 N ASP A 110 5.135 -7.543 -12.803 1.00 25.33 N ATOM 1866 CA ASP A 110 5.468 -8.082 -11.472 1.00 10.04 C ATOM 1867 C ASP A 110 6.753 -7.468 -10.908 1.00 72.10 C ATOM 1868 O ASP A 110 6.752 -6.859 -9.836 1.00 24.12 O ATOM 1869 CB ASP A 110 5.624 -9.625 -11.564 1.00 35.12 C ATOM 1870 CG ASP A 110 4.289 -10.338 -11.824 1.00 13.44 C ATOM 1871 OD1 ASP A 110 3.918 -10.539 -13.005 1.00 64.50 O ATOM 1872 OD2 ASP A 110 3.620 -10.725 -10.841 1.00 22.52 O ATOM 0 H ASP A 110 5.285 -8.216 -13.555 1.00 25.33 H new ATOM 0 HA ASP A 110 4.654 -7.823 -10.795 1.00 10.04 H new ATOM 0 HB2 ASP A 110 6.324 -9.869 -12.363 1.00 35.12 H new ATOM 0 HB3 ASP A 110 6.057 -9.999 -10.636 1.00 35.12 H new ATOM 1877 N GLU A 111 7.842 -7.627 -11.662 1.00 63.31 N ATOM 1878 CA GLU A 111 9.198 -7.215 -11.236 1.00 35.21 C ATOM 1879 C GLU A 111 9.313 -5.689 -11.213 1.00 72.41 C ATOM 1880 O GLU A 111 10.116 -5.116 -10.466 1.00 20.01 O ATOM 1881 CB GLU A 111 10.244 -7.842 -12.180 1.00 33.31 C ATOM 1882 CG GLU A 111 10.028 -9.345 -12.386 1.00 54.54 C ATOM 1883 CD GLU A 111 11.067 -9.991 -13.305 1.00 32.14 C ATOM 1884 OE1 GLU A 111 11.005 -9.762 -14.527 1.00 73.35 O ATOM 1885 OE2 GLU A 111 11.960 -10.714 -12.805 1.00 13.51 O ATOM 0 H GLU A 111 7.817 -8.046 -12.591 1.00 63.31 H new ATOM 0 HA GLU A 111 9.384 -7.572 -10.223 1.00 35.21 H new ATOM 0 HB2 GLU A 111 10.205 -7.338 -13.146 1.00 33.31 H new ATOM 0 HB3 GLU A 111 11.241 -7.675 -11.773 1.00 33.31 H new ATOM 0 HG2 GLU A 111 10.052 -9.844 -11.417 1.00 54.54 H new ATOM 0 HG3 GLU A 111 9.034 -9.507 -12.804 1.00 54.54 H new ATOM 1892 N GLU A 112 8.488 -5.067 -12.058 1.00 44.54 N ATOM 1893 CA GLU A 112 8.297 -3.617 -12.106 1.00 4.33 C ATOM 1894 C GLU A 112 7.694 -3.116 -10.783 1.00 50.54 C ATOM 1895 O GLU A 112 8.148 -2.110 -10.238 1.00 20.52 O ATOM 1896 CB GLU A 112 7.385 -3.260 -13.297 1.00 50.31 C ATOM 1897 CG GLU A 112 7.069 -1.759 -13.457 1.00 15.12 C ATOM 1898 CD GLU A 112 6.103 -1.454 -14.611 1.00 44.24 C ATOM 1899 OE1 GLU A 112 5.105 -2.193 -14.776 1.00 44.30 O ATOM 1900 OE2 GLU A 112 6.337 -0.474 -15.356 1.00 4.32 O ATOM 0 H GLU A 112 7.922 -5.569 -12.742 1.00 44.54 H new ATOM 0 HA GLU A 112 9.261 -3.127 -12.242 1.00 4.33 H new ATOM 0 HB2 GLU A 112 7.856 -3.615 -14.214 1.00 50.31 H new ATOM 0 HB3 GLU A 112 6.446 -3.803 -13.190 1.00 50.31 H new ATOM 0 HG2 GLU A 112 6.640 -1.385 -12.527 1.00 15.12 H new ATOM 0 HG3 GLU A 112 8.000 -1.216 -13.620 1.00 15.12 H new ATOM 1907 N ALA A 113 6.683 -3.856 -10.265 1.00 72.54 N ATOM 1908 CA ALA A 113 6.046 -3.552 -8.971 1.00 3.10 C ATOM 1909 C ALA A 113 7.081 -3.570 -7.843 1.00 54.04 C ATOM 1910 O ALA A 113 7.179 -2.609 -7.083 1.00 0.15 O ATOM 1911 CB ALA A 113 4.908 -4.548 -8.674 1.00 1.14 C ATOM 0 H ALA A 113 6.292 -4.674 -10.733 1.00 72.54 H new ATOM 0 HA ALA A 113 5.618 -2.551 -9.031 1.00 3.10 H new ATOM 0 HB1 ALA A 113 4.452 -4.304 -7.714 1.00 1.14 H new ATOM 0 HB2 ALA A 113 4.155 -4.485 -9.460 1.00 1.14 H new ATOM 0 HB3 ALA A 113 5.311 -5.560 -8.638 1.00 1.14 H new ATOM 1917 N LEU A 114 7.869 -4.666 -7.796 1.00 73.15 N ATOM 1918 CA LEU A 114 8.976 -4.863 -6.834 1.00 64.02 C ATOM 1919 C LEU A 114 9.941 -3.657 -6.826 1.00 53.52 C ATOM 1920 O LEU A 114 10.363 -3.197 -5.769 1.00 22.12 O ATOM 1921 CB LEU A 114 9.757 -6.154 -7.209 1.00 60.34 C ATOM 1922 CG LEU A 114 8.953 -7.483 -7.124 1.00 54.31 C ATOM 1923 CD1 LEU A 114 9.719 -8.654 -7.771 1.00 22.25 C ATOM 1924 CD2 LEU A 114 8.589 -7.809 -5.664 1.00 21.41 C ATOM 0 H LEU A 114 7.752 -5.452 -8.436 1.00 73.15 H new ATOM 0 HA LEU A 114 8.549 -4.957 -5.836 1.00 64.02 H new ATOM 0 HB2 LEU A 114 10.135 -6.045 -8.226 1.00 60.34 H new ATOM 0 HB3 LEU A 114 10.624 -6.234 -6.554 1.00 60.34 H new ATOM 0 HG LEU A 114 8.030 -7.344 -7.687 1.00 54.31 H new ATOM 0 HD11 LEU A 114 9.126 -9.565 -7.692 1.00 22.25 H new ATOM 0 HD12 LEU A 114 9.904 -8.431 -8.822 1.00 22.25 H new ATOM 0 HD13 LEU A 114 10.670 -8.795 -7.257 1.00 22.25 H new ATOM 0 HD21 LEU A 114 8.027 -8.742 -5.629 1.00 21.41 H new ATOM 0 HD22 LEU A 114 9.501 -7.912 -5.076 1.00 21.41 H new ATOM 0 HD23 LEU A 114 7.981 -7.004 -5.252 1.00 21.41 H new ATOM 1936 N LYS A 115 10.245 -3.164 -8.035 1.00 55.34 N ATOM 1937 CA LYS A 115 11.163 -2.046 -8.275 1.00 64.15 C ATOM 1938 C LYS A 115 10.610 -0.727 -7.686 1.00 13.24 C ATOM 1939 O LYS A 115 11.362 0.061 -7.100 1.00 73.01 O ATOM 1940 CB LYS A 115 11.369 -1.948 -9.804 1.00 25.14 C ATOM 1941 CG LYS A 115 12.261 -0.801 -10.316 1.00 65.12 C ATOM 1942 CD LYS A 115 12.353 -0.817 -11.863 1.00 41.03 C ATOM 1943 CE LYS A 115 13.090 -2.060 -12.405 1.00 43.45 C ATOM 1944 NZ LYS A 115 13.043 -2.151 -13.887 1.00 4.13 N ATOM 0 H LYS A 115 9.848 -3.543 -8.894 1.00 55.34 H new ATOM 0 HA LYS A 115 12.117 -2.218 -7.776 1.00 64.15 H new ATOM 0 HB2 LYS A 115 11.796 -2.890 -10.150 1.00 25.14 H new ATOM 0 HB3 LYS A 115 10.390 -1.851 -10.273 1.00 25.14 H new ATOM 0 HG2 LYS A 115 11.858 0.155 -9.982 1.00 65.12 H new ATOM 0 HG3 LYS A 115 13.259 -0.893 -9.888 1.00 65.12 H new ATOM 0 HD2 LYS A 115 11.348 -0.785 -12.283 1.00 41.03 H new ATOM 0 HD3 LYS A 115 12.869 0.082 -12.201 1.00 41.03 H new ATOM 0 HE2 LYS A 115 14.130 -2.032 -12.079 1.00 43.45 H new ATOM 0 HE3 LYS A 115 12.645 -2.958 -11.975 1.00 43.45 H new ATOM 0 HZ1 LYS A 115 13.552 -3.003 -14.199 1.00 4.13 H new ATOM 0 HZ2 LYS A 115 12.053 -2.205 -14.200 1.00 4.13 H new ATOM 0 HZ3 LYS A 115 13.491 -1.309 -14.301 1.00 4.13 H new ATOM 1958 N ILE A 116 9.284 -0.515 -7.831 1.00 22.10 N ATOM 1959 CA ILE A 116 8.603 0.701 -7.338 1.00 23.02 C ATOM 1960 C ILE A 116 8.425 0.645 -5.798 1.00 33.42 C ATOM 1961 O ILE A 116 8.414 1.684 -5.134 1.00 41.04 O ATOM 1962 CB ILE A 116 7.214 0.921 -8.046 1.00 65.11 C ATOM 1963 CG1 ILE A 116 7.367 0.884 -9.602 1.00 61.52 C ATOM 1964 CG2 ILE A 116 6.551 2.246 -7.604 1.00 32.42 C ATOM 1965 CD1 ILE A 116 8.332 1.895 -10.197 1.00 55.44 C ATOM 0 H ILE A 116 8.659 -1.178 -8.290 1.00 22.10 H new ATOM 0 HA ILE A 116 9.238 1.552 -7.586 1.00 23.02 H new ATOM 0 HB ILE A 116 6.563 0.102 -7.740 1.00 65.11 H new ATOM 0 HG12 ILE A 116 7.693 -0.115 -9.892 1.00 61.52 H new ATOM 0 HG13 ILE A 116 6.385 1.041 -10.048 1.00 61.52 H new ATOM 0 HG21 ILE A 116 5.595 2.362 -8.114 1.00 32.42 H new ATOM 0 HG22 ILE A 116 6.388 2.229 -6.526 1.00 32.42 H new ATOM 0 HG23 ILE A 116 7.202 3.082 -7.860 1.00 32.42 H new ATOM 0 HD11 ILE A 116 8.359 1.779 -11.280 1.00 55.44 H new ATOM 0 HD12 ILE A 116 8.002 2.903 -9.948 1.00 55.44 H new ATOM 0 HD13 ILE A 116 9.329 1.729 -9.790 1.00 55.44 H new ATOM 1977 N VAL A 117 8.293 -0.584 -5.254 1.00 34.03 N ATOM 1978 CA VAL A 117 8.274 -0.828 -3.795 1.00 63.12 C ATOM 1979 C VAL A 117 9.585 -0.320 -3.163 1.00 3.11 C ATOM 1980 O VAL A 117 9.559 0.385 -2.152 1.00 43.32 O ATOM 1981 CB VAL A 117 8.075 -2.363 -3.468 1.00 51.54 C ATOM 1982 CG1 VAL A 117 8.247 -2.661 -1.960 1.00 61.33 C ATOM 1983 CG2 VAL A 117 6.699 -2.860 -3.958 1.00 70.22 C ATOM 0 H VAL A 117 8.197 -1.433 -5.812 1.00 34.03 H new ATOM 0 HA VAL A 117 7.430 -0.283 -3.372 1.00 63.12 H new ATOM 0 HB VAL A 117 8.854 -2.905 -4.004 1.00 51.54 H new ATOM 0 HG11 VAL A 117 8.102 -3.726 -1.781 1.00 61.33 H new ATOM 0 HG12 VAL A 117 9.250 -2.373 -1.644 1.00 61.33 H new ATOM 0 HG13 VAL A 117 7.511 -2.094 -1.391 1.00 61.33 H new ATOM 0 HG21 VAL A 117 6.589 -3.918 -3.720 1.00 70.22 H new ATOM 0 HG22 VAL A 117 5.910 -2.293 -3.464 1.00 70.22 H new ATOM 0 HG23 VAL A 117 6.625 -2.721 -5.036 1.00 70.22 H new ATOM 1993 N ARG A 118 10.716 -0.659 -3.819 1.00 64.03 N ATOM 1994 CA ARG A 118 12.068 -0.278 -3.364 1.00 11.31 C ATOM 1995 C ARG A 118 12.255 1.248 -3.416 1.00 65.14 C ATOM 1996 O ARG A 118 12.957 1.817 -2.575 1.00 52.33 O ATOM 1997 CB ARG A 118 13.148 -1.002 -4.207 1.00 50.03 C ATOM 1998 CG ARG A 118 13.038 -2.539 -4.158 1.00 24.53 C ATOM 1999 CD ARG A 118 14.104 -3.247 -5.000 1.00 30.31 C ATOM 2000 NE ARG A 118 15.459 -3.055 -4.450 1.00 50.41 N ATOM 2001 CZ ARG A 118 16.223 -4.022 -3.905 1.00 60.34 C ATOM 2002 NH1 ARG A 118 15.777 -5.272 -3.807 1.00 2.14 N ATOM 2003 NH2 ARG A 118 17.430 -3.725 -3.458 1.00 40.04 N ATOM 0 H ARG A 118 10.716 -1.205 -4.680 1.00 64.03 H new ATOM 0 HA ARG A 118 12.182 -0.591 -2.326 1.00 11.31 H new ATOM 0 HB2 ARG A 118 13.070 -0.673 -5.243 1.00 50.03 H new ATOM 0 HB3 ARG A 118 14.135 -0.705 -3.852 1.00 50.03 H new ATOM 0 HG2 ARG A 118 13.123 -2.870 -3.123 1.00 24.53 H new ATOM 0 HG3 ARG A 118 12.050 -2.838 -4.508 1.00 24.53 H new ATOM 0 HD2 ARG A 118 13.880 -4.313 -5.048 1.00 30.31 H new ATOM 0 HD3 ARG A 118 14.070 -2.868 -6.021 1.00 30.31 H new ATOM 0 HE ARG A 118 15.850 -2.113 -4.485 1.00 50.41 H new ATOM 0 HH11 ARG A 118 14.845 -5.509 -4.147 1.00 2.14 H new ATOM 0 HH12 ARG A 118 16.367 -5.993 -3.392 1.00 2.14 H new ATOM 0 HH21 ARG A 118 17.778 -2.769 -3.527 1.00 40.04 H new ATOM 0 HH22 ARG A 118 18.014 -4.452 -3.044 1.00 40.04 H new ATOM 2017 N GLU A 119 11.614 1.893 -4.416 1.00 31.34 N ATOM 2018 CA GLU A 119 11.552 3.361 -4.521 1.00 23.04 C ATOM 2019 C GLU A 119 10.787 3.953 -3.323 1.00 21.11 C ATOM 2020 O GLU A 119 11.286 4.859 -2.658 1.00 34.24 O ATOM 2021 CB GLU A 119 10.890 3.787 -5.863 1.00 42.12 C ATOM 2022 CG GLU A 119 11.769 3.559 -7.113 1.00 35.13 C ATOM 2023 CD GLU A 119 13.017 4.467 -7.136 1.00 73.02 C ATOM 2024 OE1 GLU A 119 12.864 5.688 -7.373 1.00 14.33 O ATOM 2025 OE2 GLU A 119 14.146 3.980 -6.911 1.00 34.13 O ATOM 0 H GLU A 119 11.127 1.408 -5.170 1.00 31.34 H new ATOM 0 HA GLU A 119 12.569 3.752 -4.506 1.00 23.04 H new ATOM 0 HB2 GLU A 119 9.958 3.235 -5.985 1.00 42.12 H new ATOM 0 HB3 GLU A 119 10.630 4.844 -5.806 1.00 42.12 H new ATOM 0 HG2 GLU A 119 12.083 2.516 -7.146 1.00 35.13 H new ATOM 0 HG3 GLU A 119 11.175 3.742 -8.008 1.00 35.13 H new ATOM 2032 N PHE A 120 9.586 3.395 -3.045 1.00 60.31 N ATOM 2033 CA PHE A 120 8.724 3.813 -1.914 1.00 53.31 C ATOM 2034 C PHE A 120 9.460 3.698 -0.565 1.00 73.11 C ATOM 2035 O PHE A 120 9.251 4.522 0.327 1.00 11.22 O ATOM 2036 CB PHE A 120 7.408 2.975 -1.877 1.00 51.14 C ATOM 2037 CG PHE A 120 6.391 3.281 -2.981 1.00 62.13 C ATOM 2038 CD1 PHE A 120 6.270 4.567 -3.526 1.00 32.13 C ATOM 2039 CD2 PHE A 120 5.522 2.290 -3.442 1.00 21.02 C ATOM 2040 CE1 PHE A 120 5.321 4.842 -4.490 1.00 41.13 C ATOM 2041 CE2 PHE A 120 4.571 2.575 -4.400 1.00 3.21 C ATOM 2042 CZ PHE A 120 4.472 3.846 -4.924 1.00 41.21 C ATOM 0 H PHE A 120 9.186 2.639 -3.601 1.00 60.31 H new ATOM 0 HA PHE A 120 8.471 4.861 -2.074 1.00 53.31 H new ATOM 0 HB2 PHE A 120 7.671 1.919 -1.934 1.00 51.14 H new ATOM 0 HB3 PHE A 120 6.926 3.132 -0.912 1.00 51.14 H new ATOM 0 HD1 PHE A 120 6.928 5.353 -3.187 1.00 32.13 H new ATOM 0 HD2 PHE A 120 5.595 1.289 -3.044 1.00 21.02 H new ATOM 0 HE1 PHE A 120 5.244 5.837 -4.904 1.00 41.13 H new ATOM 0 HE2 PHE A 120 3.901 1.799 -4.741 1.00 3.21 H new ATOM 0 HZ PHE A 120 3.728 4.062 -5.676 1.00 41.21 H new ATOM 2052 N MET A 121 10.333 2.676 -0.458 1.00 2.02 N ATOM 2053 CA MET A 121 11.173 2.435 0.727 1.00 35.32 C ATOM 2054 C MET A 121 12.175 3.594 0.949 1.00 1.04 C ATOM 2055 O MET A 121 12.420 3.987 2.091 1.00 63.03 O ATOM 2056 CB MET A 121 11.902 1.065 0.578 1.00 4.22 C ATOM 2057 CG MET A 121 10.957 -0.157 0.629 1.00 34.55 C ATOM 2058 SD MET A 121 11.650 -1.647 -0.135 1.00 44.25 S ATOM 2059 CE MET A 121 13.075 -1.973 0.889 1.00 32.23 C ATOM 0 H MET A 121 10.474 1.990 -1.200 1.00 2.02 H new ATOM 0 HA MET A 121 10.537 2.396 1.611 1.00 35.32 H new ATOM 0 HB2 MET A 121 12.443 1.054 -0.368 1.00 4.22 H new ATOM 0 HB3 MET A 121 12.644 0.971 1.371 1.00 4.22 H new ATOM 0 HG2 MET A 121 10.713 -0.373 1.669 1.00 34.55 H new ATOM 0 HG3 MET A 121 10.023 0.096 0.128 1.00 34.55 H new ATOM 0 HE1 MET A 121 13.516 -2.928 0.605 1.00 32.23 H new ATOM 0 HE2 MET A 121 13.810 -1.179 0.753 1.00 32.23 H new ATOM 0 HE3 MET A 121 12.770 -2.011 1.935 1.00 32.23 H new ATOM 2069 N GLN A 122 12.717 4.157 -0.157 1.00 3.10 N ATOM 2070 CA GLN A 122 13.687 5.284 -0.100 1.00 2.20 C ATOM 2071 C GLN A 122 12.987 6.568 0.365 1.00 20.15 C ATOM 2072 O GLN A 122 13.505 7.304 1.220 1.00 13.22 O ATOM 2073 CB GLN A 122 14.358 5.528 -1.486 1.00 0.42 C ATOM 2074 CG GLN A 122 14.983 4.284 -2.138 1.00 11.04 C ATOM 2075 CD GLN A 122 15.952 3.525 -1.224 1.00 71.31 C ATOM 2076 OE1 GLN A 122 17.139 3.832 -1.165 1.00 14.41 O ATOM 2077 NE2 GLN A 122 15.458 2.509 -0.526 1.00 31.54 N ATOM 0 H GLN A 122 12.499 3.849 -1.105 1.00 3.10 H new ATOM 0 HA GLN A 122 14.464 5.014 0.615 1.00 2.20 H new ATOM 0 HB2 GLN A 122 13.612 5.939 -2.166 1.00 0.42 H new ATOM 0 HB3 GLN A 122 15.133 6.285 -1.368 1.00 0.42 H new ATOM 0 HG2 GLN A 122 14.186 3.608 -2.447 1.00 11.04 H new ATOM 0 HG3 GLN A 122 15.512 4.586 -3.041 1.00 11.04 H new ATOM 0 HE21 GLN A 122 14.467 2.277 -0.595 1.00 31.54 H new ATOM 0 HE22 GLN A 122 16.069 1.961 0.079 1.00 31.54 H new ATOM 2086 N LYS A 123 11.803 6.826 -0.230 1.00 55.21 N ATOM 2087 CA LYS A 123 10.980 8.015 0.077 1.00 43.20 C ATOM 2088 C LYS A 123 10.494 7.968 1.532 1.00 72.23 C ATOM 2089 O LYS A 123 10.445 8.996 2.206 1.00 4.05 O ATOM 2090 CB LYS A 123 9.776 8.148 -0.913 1.00 11.20 C ATOM 2091 CG LYS A 123 10.115 8.740 -2.306 1.00 33.23 C ATOM 2092 CD LYS A 123 11.107 7.890 -3.128 1.00 43.52 C ATOM 2093 CE LYS A 123 11.369 8.456 -4.525 1.00 52.44 C ATOM 2094 NZ LYS A 123 12.303 7.599 -5.296 1.00 71.23 N ATOM 0 H LYS A 123 11.391 6.216 -0.936 1.00 55.21 H new ATOM 0 HA LYS A 123 11.604 8.899 -0.050 1.00 43.20 H new ATOM 0 HB2 LYS A 123 9.335 7.161 -1.055 1.00 11.20 H new ATOM 0 HB3 LYS A 123 9.014 8.774 -0.448 1.00 11.20 H new ATOM 0 HG2 LYS A 123 9.192 8.853 -2.875 1.00 33.23 H new ATOM 0 HG3 LYS A 123 10.532 9.738 -2.173 1.00 33.23 H new ATOM 0 HD2 LYS A 123 12.051 7.821 -2.588 1.00 43.52 H new ATOM 0 HD3 LYS A 123 10.718 6.876 -3.221 1.00 43.52 H new ATOM 0 HE2 LYS A 123 10.426 8.545 -5.065 1.00 52.44 H new ATOM 0 HE3 LYS A 123 11.783 9.461 -4.439 1.00 52.44 H new ATOM 0 HZ1 LYS A 123 13.013 8.195 -5.767 1.00 71.23 H new ATOM 0 HZ2 LYS A 123 12.780 6.937 -4.651 1.00 71.23 H new ATOM 0 HZ3 LYS A 123 11.772 7.063 -6.011 1.00 71.23 H new ATOM 2108 N ALA A 124 10.176 6.750 1.999 1.00 53.34 N ATOM 2109 CA ALA A 124 9.734 6.501 3.376 1.00 31.43 C ATOM 2110 C ALA A 124 10.895 6.680 4.370 1.00 34.43 C ATOM 2111 O ALA A 124 10.697 7.195 5.472 1.00 35.25 O ATOM 2112 CB ALA A 124 9.141 5.094 3.487 1.00 21.12 C ATOM 0 H ALA A 124 10.219 5.907 1.427 1.00 53.34 H new ATOM 0 HA ALA A 124 8.964 7.230 3.629 1.00 31.43 H new ATOM 0 HB1 ALA A 124 8.815 4.916 4.512 1.00 21.12 H new ATOM 0 HB2 ALA A 124 8.288 5.005 2.814 1.00 21.12 H new ATOM 0 HB3 ALA A 124 9.897 4.358 3.214 1.00 21.12 H new ATOM 2118 N GLY A 125 12.100 6.235 3.963 1.00 11.03 N ATOM 2119 CA GLY A 125 13.305 6.366 4.784 1.00 51.13 C ATOM 2120 C GLY A 125 13.659 7.821 5.058 1.00 30.40 C ATOM 2121 O GLY A 125 13.987 8.200 6.192 1.00 41.24 O ATOM 0 H GLY A 125 12.258 5.780 3.064 1.00 11.03 H new ATOM 0 HA2 GLY A 125 13.156 5.846 5.730 1.00 51.13 H new ATOM 0 HA3 GLY A 125 14.140 5.879 4.281 1.00 51.13 H new ATOM 2125 N SER A 126 13.546 8.648 4.011 1.00 55.55 N ATOM 2126 CA SER A 126 13.847 10.084 4.077 1.00 41.13 C ATOM 2127 C SER A 126 12.787 10.867 4.882 1.00 62.33 C ATOM 2128 O SER A 126 13.066 11.982 5.299 1.00 34.21 O ATOM 2129 CB SER A 126 14.026 10.659 2.650 1.00 51.23 C ATOM 2130 OG SER A 126 12.914 10.364 1.829 1.00 53.13 O ATOM 0 H SER A 126 13.241 8.338 3.088 1.00 55.55 H new ATOM 0 HA SER A 126 14.787 10.204 4.616 1.00 41.13 H new ATOM 0 HB2 SER A 126 14.162 11.739 2.706 1.00 51.23 H new ATOM 0 HB3 SER A 126 14.930 10.247 2.201 1.00 51.23 H new ATOM 0 HG SER A 126 12.211 9.945 2.368 1.00 53.13 H new ATOM 2136 N LEU A 127 11.579 10.284 5.091 1.00 31.42 N ATOM 2137 CA LEU A 127 10.518 10.915 5.922 1.00 21.31 C ATOM 2138 C LEU A 127 10.963 11.027 7.386 1.00 41.43 C ATOM 2139 O LEU A 127 10.689 12.036 8.053 1.00 32.31 O ATOM 2140 CB LEU A 127 9.202 10.099 5.864 1.00 72.14 C ATOM 2141 CG LEU A 127 8.482 10.059 4.493 1.00 44.04 C ATOM 2142 CD1 LEU A 127 7.295 9.086 4.528 1.00 31.32 C ATOM 2143 CD2 LEU A 127 8.047 11.473 4.052 1.00 74.15 C ATOM 0 H LEU A 127 11.315 9.381 4.697 1.00 31.42 H new ATOM 0 HA LEU A 127 10.343 11.911 5.515 1.00 21.31 H new ATOM 0 HB2 LEU A 127 9.420 9.075 6.166 1.00 72.14 H new ATOM 0 HB3 LEU A 127 8.512 10.509 6.602 1.00 72.14 H new ATOM 0 HG LEU A 127 9.188 9.691 3.749 1.00 44.04 H new ATOM 0 HD11 LEU A 127 6.805 9.075 3.554 1.00 31.32 H new ATOM 0 HD12 LEU A 127 7.653 8.084 4.766 1.00 31.32 H new ATOM 0 HD13 LEU A 127 6.583 9.407 5.289 1.00 31.32 H new ATOM 0 HD21 LEU A 127 7.544 11.414 3.087 1.00 74.15 H new ATOM 0 HD22 LEU A 127 7.364 11.891 4.792 1.00 74.15 H new ATOM 0 HD23 LEU A 127 8.925 12.113 3.966 1.00 74.15 H new ATOM 2155 N GLU A 128 11.630 9.953 7.870 1.00 51.14 N ATOM 2156 CA GLU A 128 12.113 9.849 9.260 1.00 34.22 C ATOM 2157 C GLU A 128 13.091 10.997 9.538 1.00 74.42 C ATOM 2158 O GLU A 128 12.789 11.969 10.242 1.00 0.21 O ATOM 2159 CB GLU A 128 12.855 8.496 9.489 1.00 50.04 C ATOM 2160 CG GLU A 128 12.212 7.252 8.868 1.00 33.10 C ATOM 2161 CD GLU A 128 13.112 6.017 9.034 1.00 13.14 C ATOM 2162 OE1 GLU A 128 13.160 5.455 10.148 1.00 41.41 O ATOM 2163 OE2 GLU A 128 13.798 5.620 8.070 1.00 62.20 O ATOM 0 H GLU A 128 11.847 9.134 7.303 1.00 51.14 H new ATOM 0 HA GLU A 128 11.255 9.902 9.930 1.00 34.22 H new ATOM 0 HB2 GLU A 128 13.867 8.590 9.095 1.00 50.04 H new ATOM 0 HB3 GLU A 128 12.945 8.334 10.563 1.00 50.04 H new ATOM 0 HG2 GLU A 128 11.246 7.066 9.337 1.00 33.10 H new ATOM 0 HG3 GLU A 128 12.023 7.428 7.809 1.00 33.10 H new ATOM 2170 N HIS A 129 14.245 10.885 8.872 1.00 53.41 N ATOM 2171 CA HIS A 129 15.382 11.781 9.028 1.00 1.24 C ATOM 2172 C HIS A 129 15.409 12.741 7.834 1.00 74.32 C ATOM 2173 O HIS A 129 16.285 12.667 6.961 1.00 13.32 O ATOM 2174 CB HIS A 129 16.689 10.938 9.196 1.00 21.31 C ATOM 2175 CG HIS A 129 16.874 9.801 8.207 1.00 22.53 C ATOM 2176 ND1 HIS A 129 16.411 8.521 8.449 1.00 22.31 N ATOM 2177 CD2 HIS A 129 17.497 9.740 7.004 1.00 4.21 C ATOM 2178 CE1 HIS A 129 16.741 7.738 7.442 1.00 73.32 C ATOM 2179 NE2 HIS A 129 17.398 8.452 6.553 1.00 41.33 N ATOM 0 H HIS A 129 14.413 10.145 8.191 1.00 53.41 H new ATOM 0 HA HIS A 129 15.299 12.391 9.928 1.00 1.24 H new ATOM 0 HB2 HIS A 129 17.544 11.609 9.114 1.00 21.31 H new ATOM 0 HB3 HIS A 129 16.704 10.524 10.204 1.00 21.31 H new ATOM 0 HD2 HIS A 129 17.983 10.559 6.495 1.00 4.21 H new ATOM 0 HE1 HIS A 129 16.511 6.686 7.360 1.00 73.32 H new ATOM 0 HE2 HIS A 129 17.773 8.102 5.671 1.00 41.33 H new ATOM 2188 N HIS A 130 14.396 13.634 7.803 1.00 61.23 N ATOM 2189 CA HIS A 130 14.160 14.552 6.675 1.00 13.32 C ATOM 2190 C HIS A 130 15.150 15.736 6.685 1.00 10.23 C ATOM 2191 O HIS A 130 14.827 16.853 7.106 1.00 71.33 O ATOM 2192 CB HIS A 130 12.662 14.982 6.593 1.00 51.01 C ATOM 2193 CG HIS A 130 12.054 15.512 7.867 1.00 10.54 C ATOM 2194 ND1 HIS A 130 11.607 14.690 8.883 1.00 12.25 N ATOM 2195 CD2 HIS A 130 11.787 16.778 8.273 1.00 4.02 C ATOM 2196 CE1 HIS A 130 11.104 15.429 9.850 1.00 73.10 C ATOM 2197 NE2 HIS A 130 11.200 16.696 9.505 1.00 0.32 N ATOM 0 H HIS A 130 13.721 13.736 8.561 1.00 61.23 H new ATOM 0 HA HIS A 130 14.363 14.013 5.750 1.00 13.32 H new ATOM 0 HB2 HIS A 130 12.566 15.747 5.823 1.00 51.01 H new ATOM 0 HB3 HIS A 130 12.076 14.124 6.264 1.00 51.01 H new ATOM 0 HD1 HIS A 130 11.658 13.671 8.884 1.00 12.25 H new ATOM 0 HD2 HIS A 130 11.999 17.684 7.724 1.00 4.02 H new ATOM 0 HE1 HIS A 130 10.683 15.058 10.773 1.00 73.10 H new ATOM 2206 N HIS A 131 16.382 15.409 6.235 1.00 15.53 N ATOM 2207 CA HIS A 131 17.555 16.306 6.126 1.00 25.03 C ATOM 2208 C HIS A 131 18.664 15.569 5.340 1.00 35.52 C ATOM 2209 O HIS A 131 19.373 16.174 4.535 1.00 13.35 O ATOM 2210 CB HIS A 131 18.137 16.755 7.519 1.00 22.22 C ATOM 2211 CG HIS A 131 17.451 17.928 8.188 1.00 12.12 C ATOM 2212 ND1 HIS A 131 17.229 17.996 9.548 1.00 52.13 N ATOM 2213 CD2 HIS A 131 16.987 19.098 7.684 1.00 44.31 C ATOM 2214 CE1 HIS A 131 16.654 19.144 9.840 1.00 25.03 C ATOM 2215 NE2 HIS A 131 16.500 19.827 8.728 1.00 63.20 N ATOM 0 H HIS A 131 16.596 14.462 5.921 1.00 15.53 H new ATOM 0 HA HIS A 131 17.221 17.210 5.616 1.00 25.03 H new ATOM 0 HB2 HIS A 131 18.096 15.903 8.197 1.00 22.22 H new ATOM 0 HB3 HIS A 131 19.189 17.005 7.385 1.00 22.22 H new ATOM 0 HD2 HIS A 131 17.001 19.397 6.646 1.00 44.31 H new ATOM 0 HE1 HIS A 131 16.359 19.469 10.827 1.00 25.03 H new ATOM 0 HE2 HIS A 131 16.083 20.755 8.657 1.00 63.20 H new ATOM 2224 N HIS A 132 18.800 14.246 5.604 1.00 3.43 N ATOM 2225 CA HIS A 132 19.884 13.396 5.042 1.00 54.24 C ATOM 2226 C HIS A 132 19.312 12.323 4.089 1.00 13.52 C ATOM 2227 O HIS A 132 18.253 11.748 4.358 1.00 4.44 O ATOM 2228 CB HIS A 132 20.678 12.721 6.198 1.00 34.02 C ATOM 2229 CG HIS A 132 21.448 13.691 7.064 1.00 40.52 C ATOM 2230 ND1 HIS A 132 21.287 13.792 8.430 1.00 33.44 N ATOM 2231 CD2 HIS A 132 22.400 14.595 6.738 1.00 25.03 C ATOM 2232 CE1 HIS A 132 22.104 14.711 8.900 1.00 41.44 C ATOM 2233 NE2 HIS A 132 22.789 15.216 7.894 1.00 41.42 N ATOM 0 H HIS A 132 18.161 13.736 6.214 1.00 3.43 H new ATOM 0 HA HIS A 132 20.557 14.032 4.467 1.00 54.24 H new ATOM 0 HB2 HIS A 132 19.983 12.163 6.825 1.00 34.02 H new ATOM 0 HB3 HIS A 132 21.374 11.998 5.773 1.00 34.02 H new ATOM 0 HD2 HIS A 132 22.783 14.791 5.747 1.00 25.03 H new ATOM 0 HE1 HIS A 132 22.197 15.002 9.936 1.00 41.44 H new ATOM 0 HE2 HIS A 132 23.494 15.950 7.965 1.00 41.42 H new ATOM 2242 N HIS A 133 20.035 12.082 2.973 1.00 75.43 N ATOM 2243 CA HIS A 133 19.696 11.068 1.932 1.00 1.23 C ATOM 2244 C HIS A 133 20.871 10.086 1.743 1.00 75.42 C ATOM 2245 O HIS A 133 22.010 10.399 2.124 1.00 61.23 O ATOM 2246 CB HIS A 133 19.372 11.752 0.567 1.00 32.04 C ATOM 2247 CG HIS A 133 18.006 12.380 0.455 1.00 32.23 C ATOM 2248 ND1 HIS A 133 17.379 12.580 -0.754 1.00 1.31 N ATOM 2249 CD2 HIS A 133 17.156 12.850 1.391 1.00 73.13 C ATOM 2250 CE1 HIS A 133 16.213 13.146 -0.551 1.00 71.41 C ATOM 2251 NE2 HIS A 133 16.055 13.321 0.741 1.00 15.04 N ATOM 0 H HIS A 133 20.891 12.595 2.760 1.00 75.43 H new ATOM 0 HA HIS A 133 18.814 10.524 2.270 1.00 1.23 H new ATOM 0 HB2 HIS A 133 20.121 12.522 0.381 1.00 32.04 H new ATOM 0 HB3 HIS A 133 19.475 11.009 -0.224 1.00 32.04 H new ATOM 0 HD2 HIS A 133 17.318 12.853 2.459 1.00 73.13 H new ATOM 0 HE1 HIS A 133 15.503 13.421 -1.317 1.00 71.41 H new ATOM 0 HE2 HIS A 133 15.239 13.742 1.186 1.00 15.04 H new ATOM 2260 N HIS A 134 20.584 8.911 1.130 1.00 22.03 N ATOM 2261 CA HIS A 134 21.609 7.878 0.850 1.00 11.24 C ATOM 2262 C HIS A 134 22.627 8.385 -0.212 1.00 63.14 C ATOM 2263 O HIS A 134 23.843 8.142 -0.059 1.00 73.05 O ATOM 2264 CB HIS A 134 20.963 6.511 0.430 1.00 13.01 C ATOM 2265 CG HIS A 134 20.323 6.433 -0.944 1.00 51.11 C ATOM 2266 ND1 HIS A 134 18.960 6.496 -1.150 1.00 74.11 N ATOM 2267 CD2 HIS A 134 20.865 6.228 -2.173 1.00 33.12 C ATOM 2268 CE1 HIS A 134 18.702 6.335 -2.434 1.00 42.34 C ATOM 2269 NE2 HIS A 134 19.840 6.171 -3.074 1.00 24.23 N ATOM 2270 OXT HIS A 134 22.202 9.055 -1.183 1.00 37.46 O ATOM 0 H HIS A 134 19.647 8.656 0.819 1.00 22.03 H new ATOM 0 HA HIS A 134 22.155 7.694 1.775 1.00 11.24 H new ATOM 0 HB2 HIS A 134 21.734 5.743 0.486 1.00 13.01 H new ATOM 0 HB3 HIS A 134 20.204 6.256 1.170 1.00 13.01 H new ATOM 0 HD2 HIS A 134 21.917 6.128 -2.397 1.00 33.12 H new ATOM 0 HE1 HIS A 134 17.720 6.337 -2.885 1.00 42.34 H new ATOM 0 HE2 HIS A 134 19.940 6.025 -4.079 1.00 24.23 H new TER 2279 HIS A 134