USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 704 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 7 TYR OH : rot 30:sc= -0.0833 USER MOD Set 1.2: A 37 MET CE :methyl 142:sc= -0.793 (180deg=-3.43!) USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.0148) USER MOD Single : A 1 MET N :NH3+ 141:sc= -3.89! (180deg=-6.69!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00306 USER MOD Single : A 10 ASN : amide:sc=-0.00637 X(o=-0.0064,f=-0.02) USER MOD Single : A 12 HIS : no HD1:sc= -0.772 K(o=-0.77,f=-0.098) USER MOD Single : A 13 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.728) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.9!) USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00113) USER MOD Single : A 25 THR OG1 : rot 79:sc= 0.527 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0531) USER MOD Single : A 29 GLN : amide:sc= -3.21 X(o=-3.2,f=-3!) USER MOD Single : A 35 ASN : amide:sc= 0.138 K(o=0.14,f=-1.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.054) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 60 GLN : amide:sc= -0.0005 X(o=-0.0005,f=0.002) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -5.76! C(o=-5.8!,f=-7.6!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.829 USER MOD Single : A 75 HIS : no HE2:sc= -3.07 K(o=-3.1,f=-4.6!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.823 0.988 -5.320 1.00 0.00 N ATOM 2 CA MET A 1 -10.707 0.005 -5.313 1.00 0.00 C ATOM 3 C MET A 1 -9.527 0.500 -4.484 1.00 0.00 C ATOM 4 O MET A 1 -9.017 1.595 -4.707 1.00 0.00 O ATOM 5 CB MET A 1 -10.292 -0.227 -6.765 1.00 0.00 C ATOM 6 CG MET A 1 -9.018 -1.029 -6.961 1.00 0.00 C ATOM 7 SD MET A 1 -9.332 -2.660 -7.666 1.00 0.00 S ATOM 8 CE MET A 1 -9.658 -2.236 -9.375 1.00 0.00 C ATOM 0 H1 MET A 1 -12.252 1.020 -6.267 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.541 0.703 -4.624 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.458 1.930 -5.073 1.00 0.00 H new ATOM 0 HA MET A 1 -11.037 -0.927 -4.853 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.105 -0.739 -7.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.168 0.742 -7.248 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.342 -0.478 -7.615 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.512 -1.142 -6.002 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.818 -3.147 -9.952 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.549 -1.610 -9.431 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.806 -1.692 -9.784 1.00 0.00 H new ATOM 20 N PHE A 2 -9.096 -0.312 -3.523 1.00 0.00 N ATOM 21 CA PHE A 2 -7.979 0.063 -2.669 1.00 0.00 C ATOM 22 C PHE A 2 -6.684 0.082 -3.463 1.00 0.00 C ATOM 23 O PHE A 2 -6.510 -0.686 -4.409 1.00 0.00 O ATOM 24 CB PHE A 2 -7.848 -0.897 -1.483 1.00 0.00 C ATOM 25 CG PHE A 2 -8.951 -0.774 -0.472 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.145 -1.453 -0.644 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.790 0.015 0.654 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.158 -1.348 0.287 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.800 0.125 1.590 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.986 -0.559 1.406 1.00 0.00 C ATOM 0 H PHE A 2 -9.501 -1.226 -3.319 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.175 1.064 -2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.825 -1.920 -1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.894 -0.718 -0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.285 -2.072 -1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.864 0.551 0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.085 -1.883 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.663 0.745 2.464 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.777 -0.476 2.137 1.00 0.00 H new ATOM 40 N LYS A 3 -5.779 0.964 -3.070 1.00 0.00 N ATOM 41 CA LYS A 3 -4.497 1.090 -3.740 1.00 0.00 C ATOM 42 C LYS A 3 -3.365 0.823 -2.760 1.00 0.00 C ATOM 43 O LYS A 3 -3.216 1.529 -1.765 1.00 0.00 O ATOM 44 CB LYS A 3 -4.355 2.487 -4.342 1.00 0.00 C ATOM 45 CG LYS A 3 -4.982 2.621 -5.720 1.00 0.00 C ATOM 46 CD LYS A 3 -6.472 2.916 -5.625 1.00 0.00 C ATOM 47 CE LYS A 3 -6.820 4.257 -6.252 1.00 0.00 C ATOM 48 NZ LYS A 3 -7.752 5.044 -5.397 1.00 0.00 N ATOM 0 H LYS A 3 -5.910 1.605 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.445 0.355 -4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.815 3.212 -3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.297 2.740 -4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.486 3.420 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.827 1.701 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.032 2.125 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.778 2.913 -4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.907 4.829 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.274 4.094 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.965 5.951 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.634 4.509 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.309 5.222 -4.473 1.00 0.00 H new ATOM 62 N VAL A 4 -2.574 -0.205 -3.034 1.00 0.00 N ATOM 63 CA VAL A 4 -1.468 -0.549 -2.155 1.00 0.00 C ATOM 64 C VAL A 4 -0.127 -0.146 -2.746 1.00 0.00 C ATOM 65 O VAL A 4 0.251 -0.583 -3.833 1.00 0.00 O ATOM 66 CB VAL A 4 -1.455 -2.055 -1.812 1.00 0.00 C ATOM 67 CG1 VAL A 4 -0.076 -2.507 -1.349 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.485 -2.351 -0.740 1.00 0.00 C ATOM 0 H VAL A 4 -2.676 -0.809 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.623 0.015 -1.235 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.704 -2.609 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.101 -3.571 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.651 -2.326 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.211 -1.947 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.469 -3.415 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.252 -1.777 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.476 -2.074 -1.101 1.00 0.00 H new ATOM 78 N TYR A 5 0.599 0.671 -1.995 1.00 0.00 N ATOM 79 CA TYR A 5 1.914 1.125 -2.404 1.00 0.00 C ATOM 80 C TYR A 5 2.968 0.295 -1.686 1.00 0.00 C ATOM 81 O TYR A 5 3.263 0.543 -0.520 1.00 0.00 O ATOM 82 CB TYR A 5 2.108 2.606 -2.054 1.00 0.00 C ATOM 83 CG TYR A 5 1.323 3.577 -2.915 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.084 3.240 -3.451 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.827 4.842 -3.184 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.623 4.137 -4.231 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.125 5.744 -3.963 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.098 5.385 -4.484 1.00 0.00 C ATOM 89 OH TYR A 5 -0.800 6.279 -5.259 1.00 0.00 O ATOM 0 H TYR A 5 0.293 1.034 -1.092 1.00 0.00 H new ATOM 0 HA TYR A 5 2.010 1.008 -3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.825 2.757 -1.012 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.168 2.847 -2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.332 2.263 -3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.786 5.128 -2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.583 3.860 -4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.534 6.724 -4.161 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.291 7.113 -5.339 1.00 0.00 H new ATOM 99 N GLY A 6 3.522 -0.705 -2.362 1.00 0.00 N ATOM 100 CA GLY A 6 4.518 -1.542 -1.720 1.00 0.00 C ATOM 101 C GLY A 6 5.347 -2.350 -2.700 1.00 0.00 C ATOM 102 O GLY A 6 5.782 -1.836 -3.731 1.00 0.00 O ATOM 0 H GLY A 6 3.304 -0.949 -3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.181 -0.914 -1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.020 -2.222 -1.029 1.00 0.00 H new ATOM 106 N TYR A 7 5.590 -3.611 -2.354 1.00 0.00 N ATOM 107 CA TYR A 7 6.394 -4.494 -3.177 1.00 0.00 C ATOM 108 C TYR A 7 5.711 -5.840 -3.407 1.00 0.00 C ATOM 109 O TYR A 7 5.707 -6.695 -2.524 1.00 0.00 O ATOM 110 CB TYR A 7 7.728 -4.728 -2.487 1.00 0.00 C ATOM 111 CG TYR A 7 8.640 -3.532 -2.530 1.00 0.00 C ATOM 112 CD1 TYR A 7 8.579 -2.558 -1.541 1.00 0.00 C ATOM 113 CD2 TYR A 7 9.555 -3.368 -3.560 1.00 0.00 C ATOM 114 CE1 TYR A 7 9.407 -1.455 -1.577 1.00 0.00 C ATOM 115 CE2 TYR A 7 10.384 -2.271 -3.600 1.00 0.00 C ATOM 116 CZ TYR A 7 10.309 -1.315 -2.609 1.00 0.00 C ATOM 117 OH TYR A 7 11.138 -0.218 -2.651 1.00 0.00 O ATOM 0 H TYR A 7 5.236 -4.042 -1.500 1.00 0.00 H new ATOM 0 HA TYR A 7 6.532 -4.018 -4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.548 -5.001 -1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.228 -5.575 -2.957 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.872 -2.666 -0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.617 -4.112 -4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.348 -0.706 -0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 7 11.093 -2.159 -4.407 1.00 0.00 H new ATOM 0 HH TYR A 7 11.324 0.087 -1.738 1.00 0.00 H new ATOM 127 N ASP A 8 5.160 -6.041 -4.598 1.00 0.00 N ATOM 128 CA ASP A 8 4.511 -7.308 -4.926 1.00 0.00 C ATOM 129 C ASP A 8 5.349 -8.092 -5.927 1.00 0.00 C ATOM 130 O ASP A 8 4.828 -8.936 -6.655 1.00 0.00 O ATOM 131 CB ASP A 8 3.110 -7.098 -5.509 1.00 0.00 C ATOM 132 CG ASP A 8 2.987 -5.829 -6.334 1.00 0.00 C ATOM 133 OD1 ASP A 8 4.007 -5.133 -6.519 1.00 0.00 O ATOM 134 OD2 ASP A 8 1.870 -5.538 -6.807 1.00 0.00 O ATOM 0 H ASP A 8 5.148 -5.350 -5.348 1.00 0.00 H new ATOM 0 HA ASP A 8 4.419 -7.868 -3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.851 -7.954 -6.132 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.386 -7.065 -4.695 1.00 0.00 H new ATOM 139 N SER A 9 6.644 -7.798 -5.975 1.00 0.00 N ATOM 140 CA SER A 9 7.541 -8.470 -6.908 1.00 0.00 C ATOM 141 C SER A 9 8.601 -9.290 -6.182 1.00 0.00 C ATOM 142 O SER A 9 8.708 -9.259 -4.957 1.00 0.00 O ATOM 143 CB SER A 9 8.217 -7.442 -7.819 1.00 0.00 C ATOM 144 OG SER A 9 8.610 -8.030 -9.048 1.00 0.00 O ATOM 0 H SER A 9 7.095 -7.102 -5.381 1.00 0.00 H new ATOM 0 HA SER A 9 6.940 -9.154 -7.508 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.533 -6.615 -8.010 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.089 -7.024 -7.317 1.00 0.00 H new ATOM 0 HG SER A 9 9.038 -7.353 -9.613 1.00 0.00 H new ATOM 150 N ASN A 10 9.391 -10.010 -6.969 1.00 0.00 N ATOM 151 CA ASN A 10 10.471 -10.838 -6.457 1.00 0.00 C ATOM 152 C ASN A 10 11.747 -10.014 -6.319 1.00 0.00 C ATOM 153 O ASN A 10 12.819 -10.547 -6.035 1.00 0.00 O ATOM 154 CB ASN A 10 10.707 -12.033 -7.383 1.00 0.00 C ATOM 155 CG ASN A 10 11.381 -13.192 -6.675 1.00 0.00 C ATOM 156 OD1 ASN A 10 10.817 -13.789 -5.757 1.00 0.00 O ATOM 157 ND2 ASN A 10 12.597 -13.518 -7.099 1.00 0.00 N ATOM 0 H ASN A 10 9.298 -10.035 -7.984 1.00 0.00 H new ATOM 0 HA ASN A 10 10.189 -11.211 -5.472 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.753 -12.366 -7.791 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.322 -11.719 -8.226 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.100 -14.289 -6.661 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.028 -12.997 -7.863 1.00 0.00 H new ATOM 164 N ILE A 11 11.614 -8.704 -6.511 1.00 0.00 N ATOM 165 CA ILE A 11 12.737 -7.789 -6.399 1.00 0.00 C ATOM 166 C ILE A 11 12.880 -7.341 -4.955 1.00 0.00 C ATOM 167 O ILE A 11 13.923 -6.825 -4.550 1.00 0.00 O ATOM 168 CB ILE A 11 12.533 -6.546 -7.286 1.00 0.00 C ATOM 169 CG1 ILE A 11 12.243 -6.961 -8.728 1.00 0.00 C ATOM 170 CG2 ILE A 11 13.748 -5.633 -7.218 1.00 0.00 C ATOM 171 CD1 ILE A 11 13.396 -7.676 -9.401 1.00 0.00 C ATOM 0 H ILE A 11 10.730 -8.253 -6.747 1.00 0.00 H new ATOM 0 HA ILE A 11 13.635 -8.312 -6.729 1.00 0.00 H new ATOM 0 HB ILE A 11 11.673 -5.991 -6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.368 -7.611 -8.740 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.990 -6.074 -9.308 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.584 -4.761 -7.851 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.903 -5.310 -6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 11 14.629 -6.173 -7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.115 -7.939 -10.421 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.268 -7.022 -9.422 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.636 -8.583 -8.845 1.00 0.00 H new ATOM 183 N HIS A 12 11.827 -7.560 -4.178 1.00 0.00 N ATOM 184 CA HIS A 12 11.845 -7.193 -2.772 1.00 0.00 C ATOM 185 C HIS A 12 10.889 -8.073 -1.980 1.00 0.00 C ATOM 186 O HIS A 12 9.837 -8.475 -2.478 1.00 0.00 O ATOM 187 CB HIS A 12 11.493 -5.719 -2.595 1.00 0.00 C ATOM 188 CG HIS A 12 11.983 -5.132 -1.305 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.253 -5.331 -0.806 1.00 0.00 N ATOM 190 CD2 HIS A 12 11.355 -4.321 -0.418 1.00 0.00 C ATOM 191 CE1 HIS A 12 13.353 -4.652 0.346 1.00 0.00 C ATOM 192 NE2 HIS A 12 12.227 -4.022 0.626 1.00 0.00 N ATOM 0 H HIS A 12 10.957 -7.987 -4.496 1.00 0.00 H new ATOM 0 HA HIS A 12 12.853 -7.350 -2.389 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.914 -5.152 -3.425 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.410 -5.604 -2.648 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.340 -3.964 -0.507 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.238 -4.624 0.964 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.035 -3.437 1.439 1.00 0.00 H new ATOM 200 N LYS A 13 11.276 -8.380 -0.753 1.00 0.00 N ATOM 201 CA LYS A 13 10.470 -9.234 0.116 1.00 0.00 C ATOM 202 C LYS A 13 9.328 -8.465 0.776 1.00 0.00 C ATOM 203 O LYS A 13 9.297 -7.234 0.758 1.00 0.00 O ATOM 204 CB LYS A 13 11.353 -9.879 1.186 1.00 0.00 C ATOM 205 CG LYS A 13 10.848 -11.234 1.655 1.00 0.00 C ATOM 206 CD LYS A 13 10.261 -11.157 3.058 1.00 0.00 C ATOM 207 CE LYS A 13 10.488 -12.445 3.831 1.00 0.00 C ATOM 208 NZ LYS A 13 9.358 -13.404 3.668 1.00 0.00 N ATOM 0 H LYS A 13 12.145 -8.052 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 13 10.027 -10.010 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.363 -9.993 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.420 -9.209 2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.090 -11.601 0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.667 -11.953 1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.713 -10.324 3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.192 -10.953 2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.412 -12.913 3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.618 -12.215 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.162 -13.867 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.511 -12.891 3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.612 -14.123 2.961 1.00 0.00 H new ATOM 222 N CYS A 14 8.390 -9.213 1.360 1.00 0.00 N ATOM 223 CA CYS A 14 7.236 -8.625 2.035 1.00 0.00 C ATOM 224 C CYS A 14 6.320 -9.713 2.592 1.00 0.00 C ATOM 225 O CYS A 14 5.756 -10.506 1.839 1.00 0.00 O ATOM 226 CB CYS A 14 6.447 -7.737 1.073 1.00 0.00 C ATOM 227 SG CYS A 14 5.887 -8.592 -0.434 1.00 0.00 S ATOM 0 H CYS A 14 8.409 -10.233 1.378 1.00 0.00 H new ATOM 0 HA CYS A 14 7.606 -8.018 2.861 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.578 -7.336 1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.067 -6.888 0.787 1.00 0.00 H new ATOM 232 N VAL A 15 6.172 -9.746 3.911 1.00 0.00 N ATOM 233 CA VAL A 15 5.317 -10.738 4.561 1.00 0.00 C ATOM 234 C VAL A 15 3.894 -10.216 4.722 1.00 0.00 C ATOM 235 O VAL A 15 2.928 -10.972 4.616 1.00 0.00 O ATOM 236 CB VAL A 15 5.864 -11.139 5.944 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.060 -12.066 5.797 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.231 -9.906 6.756 1.00 0.00 C ATOM 0 H VAL A 15 6.631 -9.099 4.553 1.00 0.00 H new ATOM 0 HA VAL A 15 5.310 -11.616 3.916 1.00 0.00 H new ATOM 0 HB VAL A 15 5.081 -11.675 6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.433 -12.338 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.759 -12.966 5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.847 -11.559 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.615 -10.212 7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.995 -9.336 6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.346 -9.285 6.894 1.00 0.00 H new ATOM 248 N TYR A 16 3.773 -8.919 4.986 1.00 0.00 N ATOM 249 CA TYR A 16 2.470 -8.292 5.171 1.00 0.00 C ATOM 250 C TYR A 16 1.770 -8.054 3.837 1.00 0.00 C ATOM 251 O TYR A 16 0.555 -7.864 3.791 1.00 0.00 O ATOM 252 CB TYR A 16 2.624 -6.968 5.918 1.00 0.00 C ATOM 253 CG TYR A 16 2.883 -7.136 7.396 1.00 0.00 C ATOM 254 CD1 TYR A 16 4.178 -7.259 7.884 1.00 0.00 C ATOM 255 CD2 TYR A 16 1.833 -7.177 8.303 1.00 0.00 C ATOM 256 CE1 TYR A 16 4.419 -7.418 9.235 1.00 0.00 C ATOM 257 CE2 TYR A 16 2.066 -7.334 9.656 1.00 0.00 C ATOM 258 CZ TYR A 16 3.360 -7.454 10.116 1.00 0.00 C ATOM 259 OH TYR A 16 3.596 -7.611 11.463 1.00 0.00 O ATOM 0 H TYR A 16 4.564 -8.281 5.077 1.00 0.00 H new ATOM 0 HA TYR A 16 1.855 -8.972 5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.445 -6.404 5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.719 -6.375 5.781 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.010 -7.230 7.196 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.818 -7.085 7.946 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.431 -7.514 9.599 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.239 -7.363 10.350 1.00 0.00 H new ATOM 0 HH TYR A 16 2.743 -7.615 11.946 1.00 0.00 H new ATOM 269 N CYS A 17 2.540 -8.056 2.754 1.00 0.00 N ATOM 270 CA CYS A 17 1.980 -7.835 1.428 1.00 0.00 C ATOM 271 C CYS A 17 1.048 -8.980 1.040 1.00 0.00 C ATOM 272 O CYS A 17 -0.041 -8.754 0.514 1.00 0.00 O ATOM 273 CB CYS A 17 3.099 -7.675 0.390 1.00 0.00 C ATOM 274 SG CYS A 17 4.005 -9.213 0.014 1.00 0.00 S ATOM 0 H CYS A 17 3.549 -8.208 2.769 1.00 0.00 H new ATOM 0 HA CYS A 17 1.399 -6.913 1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.669 -7.287 -0.533 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.808 -6.929 0.750 1.00 0.00 H new ATOM 279 N ASP A 18 1.476 -10.208 1.316 1.00 0.00 N ATOM 280 CA ASP A 18 0.676 -11.389 1.000 1.00 0.00 C ATOM 281 C ASP A 18 -0.491 -11.531 1.973 1.00 0.00 C ATOM 282 O ASP A 18 -1.592 -11.927 1.587 1.00 0.00 O ATOM 283 CB ASP A 18 1.551 -12.643 1.050 1.00 0.00 C ATOM 284 CG ASP A 18 1.318 -13.553 -0.140 1.00 0.00 C ATOM 285 OD1 ASP A 18 1.836 -13.244 -1.233 1.00 0.00 O ATOM 286 OD2 ASP A 18 0.615 -14.573 0.020 1.00 0.00 O ATOM 0 H ASP A 18 2.372 -10.412 1.758 1.00 0.00 H new ATOM 0 HA ASP A 18 0.273 -11.271 -0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.601 -12.350 1.081 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.345 -13.191 1.970 1.00 0.00 H new ATOM 291 N ASN A 19 -0.236 -11.214 3.238 1.00 0.00 N ATOM 292 CA ASN A 19 -1.257 -11.315 4.277 1.00 0.00 C ATOM 293 C ASN A 19 -2.353 -10.271 4.085 1.00 0.00 C ATOM 294 O ASN A 19 -3.534 -10.557 4.276 1.00 0.00 O ATOM 295 CB ASN A 19 -0.623 -11.159 5.661 1.00 0.00 C ATOM 296 CG ASN A 19 0.393 -12.247 5.954 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.805 -12.984 5.059 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.801 -12.352 7.213 1.00 0.00 N ATOM 0 H ASN A 19 0.670 -10.884 3.570 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.713 -12.302 4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.139 -10.185 5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.404 -11.180 6.421 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.483 -13.066 7.470 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.432 -11.719 7.923 1.00 0.00 H new ATOM 305 N ALA A 20 -1.959 -9.052 3.725 1.00 0.00 N ATOM 306 CA ALA A 20 -2.923 -7.980 3.522 1.00 0.00 C ATOM 307 C ALA A 20 -3.813 -8.251 2.316 1.00 0.00 C ATOM 308 O ALA A 20 -5.017 -8.000 2.353 1.00 0.00 O ATOM 309 CB ALA A 20 -2.212 -6.643 3.375 1.00 0.00 C ATOM 0 H ALA A 20 -0.987 -8.786 3.570 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.564 -7.938 4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.949 -5.854 3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.637 -6.435 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.540 -6.681 2.518 1.00 0.00 H new ATOM 315 N LYS A 21 -3.227 -8.776 1.248 1.00 0.00 N ATOM 316 CA LYS A 21 -3.988 -9.080 0.041 1.00 0.00 C ATOM 317 C LYS A 21 -5.135 -10.037 0.359 1.00 0.00 C ATOM 318 O LYS A 21 -6.278 -9.804 -0.033 1.00 0.00 O ATOM 319 CB LYS A 21 -3.071 -9.691 -1.023 1.00 0.00 C ATOM 320 CG LYS A 21 -3.792 -10.088 -2.303 1.00 0.00 C ATOM 321 CD LYS A 21 -3.574 -9.066 -3.408 1.00 0.00 C ATOM 322 CE LYS A 21 -2.607 -9.580 -4.461 1.00 0.00 C ATOM 323 NZ LYS A 21 -1.190 -9.308 -4.095 1.00 0.00 N ATOM 0 H LYS A 21 -2.233 -8.999 1.191 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.408 -8.152 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.286 -8.975 -1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.582 -10.571 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.437 -11.064 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.859 -10.188 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.529 -8.826 -3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.188 -8.142 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.749 -10.653 -4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.831 -9.111 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.561 -9.704 -4.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.039 -8.281 -4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.978 -9.749 -3.177 1.00 0.00 H new ATOM 337 N ARG A 22 -4.823 -11.114 1.079 1.00 0.00 N ATOM 338 CA ARG A 22 -5.831 -12.099 1.455 1.00 0.00 C ATOM 339 C ARG A 22 -6.861 -11.478 2.393 1.00 0.00 C ATOM 340 O ARG A 22 -8.041 -11.824 2.356 1.00 0.00 O ATOM 341 CB ARG A 22 -5.176 -13.312 2.121 1.00 0.00 C ATOM 342 CG ARG A 22 -4.297 -12.956 3.309 1.00 0.00 C ATOM 343 CD ARG A 22 -3.767 -14.201 4.003 1.00 0.00 C ATOM 344 NE ARG A 22 -3.198 -13.896 5.314 1.00 0.00 N ATOM 345 CZ ARG A 22 -3.925 -13.709 6.413 1.00 0.00 C ATOM 346 NH1 ARG A 22 -5.249 -13.793 6.364 1.00 0.00 N ATOM 347 NH2 ARG A 22 -3.327 -13.435 7.565 1.00 0.00 N ATOM 0 H ARG A 22 -3.882 -11.324 1.412 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.338 -12.431 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.955 -14.000 2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.575 -13.841 1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.461 -12.342 2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.868 -12.358 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.575 -14.924 4.118 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.007 -14.669 3.378 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.184 -13.822 5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.714 -14.002 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.801 -13.649 7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.310 -13.368 7.608 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.884 -13.292 8.407 1.00 0.00 H new ATOM 361 N LEU A 23 -6.403 -10.545 3.225 1.00 0.00 N ATOM 362 CA LEU A 23 -7.278 -9.855 4.167 1.00 0.00 C ATOM 363 C LEU A 23 -8.445 -9.207 3.429 1.00 0.00 C ATOM 364 O LEU A 23 -9.606 -9.389 3.798 1.00 0.00 O ATOM 365 CB LEU A 23 -6.471 -8.807 4.949 1.00 0.00 C ATOM 366 CG LEU A 23 -7.270 -7.667 5.594 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.627 -6.609 4.561 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.523 -8.197 6.272 1.00 0.00 C ATOM 0 H LEU A 23 -5.428 -10.250 3.265 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.688 -10.577 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.916 -9.321 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.736 -8.369 4.273 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.642 -7.205 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.193 -5.810 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.714 -6.199 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.230 -7.059 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.071 -7.369 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.154 -8.692 5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.243 -8.910 7.047 1.00 0.00 H new ATOM 380 N LEU A 24 -8.129 -8.466 2.375 1.00 0.00 N ATOM 381 CA LEU A 24 -9.150 -7.806 1.575 1.00 0.00 C ATOM 382 C LEU A 24 -10.041 -8.836 0.895 1.00 0.00 C ATOM 383 O LEU A 24 -11.267 -8.738 0.938 1.00 0.00 O ATOM 384 CB LEU A 24 -8.502 -6.904 0.527 1.00 0.00 C ATOM 385 CG LEU A 24 -7.880 -5.622 1.082 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.437 -5.490 0.634 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.681 -4.410 0.645 1.00 0.00 C ATOM 0 H LEU A 24 -7.174 -8.307 2.055 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.763 -7.194 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.729 -7.471 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.253 -6.635 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.899 -5.677 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.013 -4.571 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.864 -6.344 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.395 -5.459 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.224 -3.507 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.693 -4.355 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.703 -4.496 1.015 1.00 0.00 H new ATOM 399 N THR A 25 -9.415 -9.835 0.276 1.00 0.00 N ATOM 400 CA THR A 25 -10.152 -10.894 -0.401 1.00 0.00 C ATOM 401 C THR A 25 -11.153 -11.529 0.559 1.00 0.00 C ATOM 402 O THR A 25 -12.268 -11.882 0.173 1.00 0.00 O ATOM 403 CB THR A 25 -9.191 -11.957 -0.936 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.150 -11.358 -1.686 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.864 -12.983 -1.822 1.00 0.00 C ATOM 0 H THR A 25 -8.401 -9.931 0.231 1.00 0.00 H new ATOM 0 HA THR A 25 -10.692 -10.459 -1.242 1.00 0.00 H new ATOM 0 HB THR A 25 -8.802 -12.464 -0.053 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.477 -10.991 -1.076 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.125 -13.707 -2.167 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.641 -13.498 -1.257 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.312 -12.484 -2.682 1.00 0.00 H new ATOM 413 N VAL A 26 -10.742 -11.650 1.817 1.00 0.00 N ATOM 414 CA VAL A 26 -11.590 -12.222 2.855 1.00 0.00 C ATOM 415 C VAL A 26 -12.631 -11.204 3.313 1.00 0.00 C ATOM 416 O VAL A 26 -13.719 -11.568 3.760 1.00 0.00 O ATOM 417 CB VAL A 26 -10.752 -12.673 4.068 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.634 -13.308 5.133 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.658 -13.635 3.632 1.00 0.00 C ATOM 0 H VAL A 26 -9.821 -11.357 2.143 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.093 -13.091 2.431 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.282 -11.791 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.019 -13.617 5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.376 -12.584 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.140 -14.178 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.077 -13.943 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.109 -14.512 3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.003 -13.141 2.914 1.00 0.00 H new ATOM 429 N LYS A 27 -12.285 -9.925 3.194 1.00 0.00 N ATOM 430 CA LYS A 27 -13.180 -8.844 3.587 1.00 0.00 C ATOM 431 C LYS A 27 -14.180 -8.525 2.474 1.00 0.00 C ATOM 432 O LYS A 27 -15.147 -7.795 2.690 1.00 0.00 O ATOM 433 CB LYS A 27 -12.367 -7.595 3.937 1.00 0.00 C ATOM 434 CG LYS A 27 -12.924 -6.808 5.115 1.00 0.00 C ATOM 435 CD LYS A 27 -12.084 -7.005 6.369 1.00 0.00 C ATOM 436 CE LYS A 27 -12.921 -7.505 7.537 1.00 0.00 C ATOM 437 NZ LYS A 27 -12.497 -8.861 7.983 1.00 0.00 N ATOM 0 H LYS A 27 -11.386 -9.612 2.827 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.741 -9.167 4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.343 -7.891 4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.326 -6.944 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.958 -5.748 4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.949 -7.122 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.285 -7.717 6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.609 -6.062 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.837 -6.806 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.971 -7.530 7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.091 -9.166 8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.601 -9.533 7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.502 -8.832 8.284 1.00 0.00 H new ATOM 451 N LYS A 28 -13.941 -9.077 1.283 1.00 0.00 N ATOM 452 CA LYS A 28 -14.820 -8.854 0.136 1.00 0.00 C ATOM 453 C LYS A 28 -14.707 -7.421 -0.377 1.00 0.00 C ATOM 454 O LYS A 28 -15.697 -6.693 -0.442 1.00 0.00 O ATOM 455 CB LYS A 28 -16.274 -9.168 0.505 1.00 0.00 C ATOM 456 CG LYS A 28 -16.452 -10.513 1.191 1.00 0.00 C ATOM 457 CD LYS A 28 -15.865 -11.644 0.363 1.00 0.00 C ATOM 458 CE LYS A 28 -16.575 -11.784 -0.975 1.00 0.00 C ATOM 459 NZ LYS A 28 -17.971 -12.277 -0.814 1.00 0.00 N ATOM 0 H LYS A 28 -13.144 -9.683 1.088 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.504 -9.527 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.651 -8.383 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.882 -9.148 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.972 -10.490 2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.513 -10.698 1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.804 -11.460 0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.943 -12.580 0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.587 -10.819 -1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.018 -12.472 -1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.375 -12.488 -1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.969 -13.141 -0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.545 -11.547 -0.346 1.00 0.00 H new ATOM 473 N GLN A 29 -13.493 -7.023 -0.744 1.00 0.00 N ATOM 474 CA GLN A 29 -13.253 -5.680 -1.253 1.00 0.00 C ATOM 475 C GLN A 29 -12.355 -5.712 -2.487 1.00 0.00 C ATOM 476 O GLN A 29 -11.363 -6.439 -2.520 1.00 0.00 O ATOM 477 CB GLN A 29 -12.611 -4.808 -0.170 1.00 0.00 C ATOM 478 CG GLN A 29 -13.611 -3.953 0.592 1.00 0.00 C ATOM 479 CD GLN A 29 -14.487 -4.766 1.527 1.00 0.00 C ATOM 480 OE1 GLN A 29 -15.685 -4.926 1.293 1.00 0.00 O ATOM 481 NE2 GLN A 29 -13.892 -5.282 2.595 1.00 0.00 N ATOM 0 H GLN A 29 -12.662 -7.612 -0.698 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.215 -5.253 -1.537 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.082 -5.449 0.535 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.867 -4.159 -0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.074 -3.200 1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.243 -3.420 -0.119 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.896 -5.124 2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.430 -5.836 3.261 1.00 0.00 H new ATOM 490 N PRO A 30 -12.678 -4.908 -3.517 1.00 0.00 N ATOM 491 CA PRO A 30 -11.882 -4.839 -4.743 1.00 0.00 C ATOM 492 C PRO A 30 -10.670 -3.942 -4.559 1.00 0.00 C ATOM 493 O PRO A 30 -10.789 -2.846 -4.015 1.00 0.00 O ATOM 494 CB PRO A 30 -12.852 -4.205 -5.730 1.00 0.00 C ATOM 495 CG PRO A 30 -13.626 -3.261 -4.881 1.00 0.00 C ATOM 496 CD PRO A 30 -13.831 -3.982 -3.571 1.00 0.00 C ATOM 0 HA PRO A 30 -11.495 -5.808 -5.057 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.329 -3.688 -6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.497 -4.950 -6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.083 -2.327 -4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.580 -3.007 -5.344 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.835 -3.292 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.780 -4.517 -3.549 1.00 0.00 H new ATOM 504 N PHE A 31 -9.507 -4.391 -5.006 1.00 0.00 N ATOM 505 CA PHE A 31 -8.309 -3.583 -4.860 1.00 0.00 C ATOM 506 C PHE A 31 -7.208 -3.990 -5.831 1.00 0.00 C ATOM 507 O PHE A 31 -7.297 -5.019 -6.500 1.00 0.00 O ATOM 508 CB PHE A 31 -7.801 -3.655 -3.439 1.00 0.00 C ATOM 509 CG PHE A 31 -7.221 -4.988 -3.116 1.00 0.00 C ATOM 510 CD1 PHE A 31 -8.049 -6.049 -2.821 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.857 -5.185 -3.141 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.528 -7.294 -2.553 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.324 -6.425 -2.870 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.161 -7.486 -2.575 1.00 0.00 C ATOM 0 H PHE A 31 -9.369 -5.292 -5.464 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.585 -2.556 -5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.045 -2.885 -3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.619 -3.440 -2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.119 -5.902 -2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.201 -4.360 -3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.187 -8.119 -2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.254 -6.569 -2.888 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.747 -8.461 -2.363 1.00 0.00 H new ATOM 524 N GLU A 32 -6.165 -3.165 -5.900 1.00 0.00 N ATOM 525 CA GLU A 32 -5.038 -3.427 -6.787 1.00 0.00 C ATOM 526 C GLU A 32 -3.722 -2.977 -6.158 1.00 0.00 C ATOM 527 O GLU A 32 -3.663 -1.955 -5.474 1.00 0.00 O ATOM 528 CB GLU A 32 -5.244 -2.724 -8.130 1.00 0.00 C ATOM 529 CG GLU A 32 -4.894 -3.591 -9.329 1.00 0.00 C ATOM 530 CD GLU A 32 -5.478 -3.061 -10.623 1.00 0.00 C ATOM 531 OE1 GLU A 32 -6.426 -2.250 -10.559 1.00 0.00 O ATOM 532 OE2 GLU A 32 -4.987 -3.455 -11.702 1.00 0.00 O ATOM 0 H GLU A 32 -6.079 -2.310 -5.351 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.986 -4.503 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.285 -2.410 -8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.635 -1.820 -8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.810 -3.654 -9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.258 -4.604 -9.159 1.00 0.00 H new ATOM 539 N PHE A 33 -2.672 -3.756 -6.396 1.00 0.00 N ATOM 540 CA PHE A 33 -1.352 -3.464 -5.867 1.00 0.00 C ATOM 541 C PHE A 33 -0.555 -2.589 -6.832 1.00 0.00 C ATOM 542 O PHE A 33 -0.501 -2.861 -8.031 1.00 0.00 O ATOM 543 CB PHE A 33 -0.617 -4.782 -5.635 1.00 0.00 C ATOM 544 CG PHE A 33 0.468 -4.723 -4.600 1.00 0.00 C ATOM 545 CD1 PHE A 33 1.358 -3.667 -4.555 1.00 0.00 C ATOM 546 CD2 PHE A 33 0.600 -5.740 -3.682 1.00 0.00 C ATOM 547 CE1 PHE A 33 2.360 -3.628 -3.608 1.00 0.00 C ATOM 548 CE2 PHE A 33 1.598 -5.710 -2.731 1.00 0.00 C ATOM 549 CZ PHE A 33 2.482 -4.653 -2.694 1.00 0.00 C ATOM 0 H PHE A 33 -2.716 -4.605 -6.960 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.456 -2.918 -4.929 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.343 -5.539 -5.338 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.182 -5.110 -6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.268 -2.863 -5.270 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.087 -6.573 -3.707 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.048 -2.796 -3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.687 -6.514 -2.016 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.267 -4.628 -1.952 1.00 0.00 H new ATOM 559 N ILE A 34 0.081 -1.553 -6.294 1.00 0.00 N ATOM 560 CA ILE A 34 0.899 -0.645 -7.091 1.00 0.00 C ATOM 561 C ILE A 34 2.356 -0.737 -6.663 1.00 0.00 C ATOM 562 O ILE A 34 2.728 -0.307 -5.570 1.00 0.00 O ATOM 563 CB ILE A 34 0.440 0.811 -6.950 1.00 0.00 C ATOM 564 CG1 ILE A 34 -1.086 0.902 -7.005 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.070 1.668 -8.036 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.638 2.173 -6.404 1.00 0.00 C ATOM 0 H ILE A 34 0.045 -1.320 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 34 0.788 -0.947 -8.132 1.00 0.00 H new ATOM 0 HB ILE A 34 0.767 1.187 -5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.409 0.831 -8.044 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.512 0.047 -6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.736 2.700 -7.925 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.156 1.627 -7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.771 1.293 -9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.725 2.168 -6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.346 2.237 -5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.241 3.033 -6.944 1.00 0.00 H new ATOM 578 N ASN A 35 3.167 -1.305 -7.533 1.00 0.00 N ATOM 579 CA ASN A 35 4.592 -1.473 -7.270 1.00 0.00 C ATOM 580 C ASN A 35 5.331 -0.145 -7.389 1.00 0.00 C ATOM 581 O ASN A 35 5.122 0.610 -8.339 1.00 0.00 O ATOM 582 CB ASN A 35 5.196 -2.495 -8.237 1.00 0.00 C ATOM 583 CG ASN A 35 5.023 -2.089 -9.688 1.00 0.00 C ATOM 584 OD1 ASN A 35 3.925 -2.166 -10.240 1.00 0.00 O ATOM 585 ND2 ASN A 35 6.111 -1.661 -10.317 1.00 0.00 N ATOM 0 H ASN A 35 2.864 -1.663 -8.439 1.00 0.00 H new ATOM 0 HA ASN A 35 4.704 -1.839 -6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.257 -2.614 -8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.727 -3.466 -8.076 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.057 -1.380 -11.296 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.001 -1.613 -9.821 1.00 0.00 H new ATOM 592 N ILE A 36 6.192 0.134 -6.417 1.00 0.00 N ATOM 593 CA ILE A 36 6.960 1.375 -6.408 1.00 0.00 C ATOM 594 C ILE A 36 8.389 1.168 -6.914 1.00 0.00 C ATOM 595 O ILE A 36 9.135 2.130 -7.085 1.00 0.00 O ATOM 596 CB ILE A 36 7.016 1.984 -4.994 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.697 1.019 -4.021 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.615 2.328 -4.512 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.024 1.643 -2.682 1.00 0.00 C ATOM 0 H ILE A 36 6.376 -0.482 -5.625 1.00 0.00 H new ATOM 0 HA ILE A 36 6.445 2.060 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 36 7.604 2.901 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.049 0.157 -3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.616 0.647 -4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.670 2.757 -3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.163 3.050 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.007 1.424 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.505 0.902 -2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.698 2.487 -2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.106 1.990 -2.208 1.00 0.00 H new ATOM 611 N MET A 37 8.771 -0.087 -7.145 1.00 0.00 N ATOM 612 CA MET A 37 10.116 -0.390 -7.621 1.00 0.00 C ATOM 613 C MET A 37 10.086 -1.167 -8.935 1.00 0.00 C ATOM 614 O MET A 37 9.968 -2.392 -8.937 1.00 0.00 O ATOM 615 CB MET A 37 10.888 -1.187 -6.568 1.00 0.00 C ATOM 616 CG MET A 37 12.377 -1.290 -6.856 1.00 0.00 C ATOM 617 SD MET A 37 13.190 -2.582 -5.894 1.00 0.00 S ATOM 618 CE MET A 37 13.554 -1.701 -4.376 1.00 0.00 C ATOM 0 H MET A 37 8.173 -0.902 -7.011 1.00 0.00 H new ATOM 0 HA MET A 37 10.621 0.560 -7.799 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.746 -0.719 -5.594 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.468 -2.191 -6.504 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.524 -1.488 -7.918 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.851 -0.332 -6.642 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.408 -2.366 -3.525 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.588 -1.357 -4.394 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.888 -0.843 -4.284 1.00 0.00 H new ATOM 628 N PRO A 38 10.200 -0.462 -10.074 1.00 0.00 N ATOM 629 CA PRO A 38 10.196 -1.096 -11.396 1.00 0.00 C ATOM 630 C PRO A 38 11.499 -1.839 -11.673 1.00 0.00 C ATOM 631 O PRO A 38 11.538 -2.771 -12.478 1.00 0.00 O ATOM 632 CB PRO A 38 10.038 0.085 -12.353 1.00 0.00 C ATOM 633 CG PRO A 38 10.631 1.241 -11.625 1.00 0.00 C ATOM 634 CD PRO A 38 10.349 1.004 -10.166 1.00 0.00 C ATOM 0 HA PRO A 38 9.410 -1.845 -11.494 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.554 -0.097 -13.296 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.990 0.263 -12.593 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.703 1.309 -11.809 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.190 2.180 -11.960 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.163 1.364 -9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.444 1.520 -9.844 1.00 0.00 H new ATOM 642 N GLU A 39 12.566 -1.418 -10.999 1.00 0.00 N ATOM 643 CA GLU A 39 13.874 -2.038 -11.165 1.00 0.00 C ATOM 644 C GLU A 39 14.594 -2.141 -9.825 1.00 0.00 C ATOM 645 O GLU A 39 14.428 -1.287 -8.955 1.00 0.00 O ATOM 646 CB GLU A 39 14.724 -1.238 -12.155 1.00 0.00 C ATOM 647 CG GLU A 39 14.680 0.262 -11.921 1.00 0.00 C ATOM 648 CD GLU A 39 15.870 0.981 -12.526 1.00 0.00 C ATOM 649 OE1 GLU A 39 15.894 1.154 -13.763 1.00 0.00 O ATOM 650 OE2 GLU A 39 16.779 1.371 -11.763 1.00 0.00 O ATOM 0 H GLU A 39 12.548 -0.647 -10.331 1.00 0.00 H new ATOM 0 HA GLU A 39 13.726 -3.043 -11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.758 -1.577 -12.090 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.382 -1.449 -13.168 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.761 0.666 -12.347 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.648 0.458 -10.849 1.00 0.00 H new ATOM 657 N LYS A 40 15.401 -3.186 -9.665 1.00 0.00 N ATOM 658 CA LYS A 40 16.146 -3.394 -8.426 1.00 0.00 C ATOM 659 C LYS A 40 17.161 -2.288 -8.185 1.00 0.00 C ATOM 660 O LYS A 40 17.770 -2.201 -7.118 1.00 0.00 O ATOM 661 CB LYS A 40 16.837 -4.759 -8.431 1.00 0.00 C ATOM 662 CG LYS A 40 17.292 -5.222 -7.056 1.00 0.00 C ATOM 663 CD LYS A 40 18.400 -6.259 -7.154 1.00 0.00 C ATOM 664 CE LYS A 40 18.258 -7.331 -6.084 1.00 0.00 C ATOM 665 NZ LYS A 40 19.371 -8.319 -6.136 1.00 0.00 N ATOM 0 H LYS A 40 15.556 -3.901 -10.376 1.00 0.00 H new ATOM 0 HA LYS A 40 15.427 -3.368 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.154 -5.500 -8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.701 -4.716 -9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.644 -4.366 -6.481 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.445 -5.643 -6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.379 -6.723 -8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 40 19.368 -5.769 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.235 -6.861 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.307 -7.848 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.237 -9.032 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.378 -8.786 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 20.277 -7.830 -5.988 1.00 0.00 H new ATOM 679 N GLY A 41 17.324 -1.449 -9.181 1.00 0.00 N ATOM 680 CA GLY A 41 18.257 -0.342 -9.094 1.00 0.00 C ATOM 681 C GLY A 41 17.685 0.845 -8.343 1.00 0.00 C ATOM 682 O GLY A 41 18.268 1.303 -7.361 1.00 0.00 O ATOM 0 H GLY A 41 16.822 -1.510 -10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.167 -0.677 -8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.539 -0.030 -10.099 1.00 0.00 H new ATOM 686 N VAL A 42 16.543 1.346 -8.805 1.00 0.00 N ATOM 687 CA VAL A 42 15.910 2.492 -8.164 1.00 0.00 C ATOM 688 C VAL A 42 14.389 2.433 -8.271 1.00 0.00 C ATOM 689 O VAL A 42 13.842 1.977 -9.274 1.00 0.00 O ATOM 690 CB VAL A 42 16.400 3.817 -8.774 1.00 0.00 C ATOM 691 CG1 VAL A 42 15.893 5.000 -7.965 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.920 3.832 -8.862 1.00 0.00 C ATOM 0 H VAL A 42 16.041 0.980 -9.614 1.00 0.00 H new ATOM 0 HA VAL A 42 16.193 2.450 -7.112 1.00 0.00 H new ATOM 0 HB VAL A 42 15.998 3.902 -9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.251 5.927 -8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.803 4.997 -7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.261 4.926 -6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.250 4.776 -9.296 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.343 3.724 -7.863 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.256 3.007 -9.490 1.00 0.00 H new ATOM 702 N PHE A 43 13.715 2.911 -7.229 1.00 0.00 N ATOM 703 CA PHE A 43 12.255 2.927 -7.204 1.00 0.00 C ATOM 704 C PHE A 43 11.712 3.920 -8.229 1.00 0.00 C ATOM 705 O PHE A 43 12.466 4.697 -8.814 1.00 0.00 O ATOM 706 CB PHE A 43 11.719 3.291 -5.810 1.00 0.00 C ATOM 707 CG PHE A 43 12.672 3.026 -4.676 1.00 0.00 C ATOM 708 CD1 PHE A 43 13.409 1.853 -4.625 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.825 3.952 -3.659 1.00 0.00 C ATOM 710 CE1 PHE A 43 14.282 1.613 -3.580 1.00 0.00 C ATOM 711 CE2 PHE A 43 13.695 3.718 -2.612 1.00 0.00 C ATOM 712 CZ PHE A 43 14.425 2.546 -2.573 1.00 0.00 C ATOM 0 H PHE A 43 14.155 3.292 -6.392 1.00 0.00 H new ATOM 0 HA PHE A 43 11.916 1.922 -7.455 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.454 4.348 -5.803 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.801 2.731 -5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.300 1.119 -5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.257 4.870 -3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.852 0.696 -3.552 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.804 4.450 -1.825 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.106 2.360 -1.756 1.00 0.00 H new ATOM 722 N ASP A 44 10.401 3.889 -8.439 1.00 0.00 N ATOM 723 CA ASP A 44 9.755 4.788 -9.391 1.00 0.00 C ATOM 724 C ASP A 44 9.564 6.177 -8.784 1.00 0.00 C ATOM 725 O ASP A 44 8.494 6.495 -8.265 1.00 0.00 O ATOM 726 CB ASP A 44 8.403 4.219 -9.824 1.00 0.00 C ATOM 727 CG ASP A 44 8.111 4.476 -11.290 1.00 0.00 C ATOM 728 OD1 ASP A 44 7.842 5.643 -11.644 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.153 3.512 -12.082 1.00 0.00 O ATOM 0 H ASP A 44 9.763 3.251 -7.963 1.00 0.00 H new ATOM 0 HA ASP A 44 10.401 4.878 -10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.386 3.146 -9.636 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.614 4.662 -9.216 1.00 0.00 H new ATOM 734 N ASP A 45 10.605 7.002 -8.858 1.00 0.00 N ATOM 735 CA ASP A 45 10.553 8.360 -8.318 1.00 0.00 C ATOM 736 C ASP A 45 9.317 9.108 -8.812 1.00 0.00 C ATOM 737 O ASP A 45 8.814 10.004 -8.135 1.00 0.00 O ATOM 738 CB ASP A 45 11.814 9.135 -8.705 1.00 0.00 C ATOM 739 CG ASP A 45 12.258 10.093 -7.618 1.00 0.00 C ATOM 740 OD1 ASP A 45 12.835 9.625 -6.613 1.00 0.00 O ATOM 741 OD2 ASP A 45 12.030 11.312 -7.770 1.00 0.00 O ATOM 0 H ASP A 45 11.497 6.754 -9.287 1.00 0.00 H new ATOM 0 HA ASP A 45 10.495 8.282 -7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.619 8.431 -8.917 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.628 9.692 -9.623 1.00 0.00 H new ATOM 746 N GLU A 46 8.832 8.737 -9.994 1.00 0.00 N ATOM 747 CA GLU A 46 7.654 9.377 -10.568 1.00 0.00 C ATOM 748 C GLU A 46 6.470 9.275 -9.613 1.00 0.00 C ATOM 749 O GLU A 46 5.814 10.272 -9.309 1.00 0.00 O ATOM 750 CB GLU A 46 7.300 8.739 -11.912 1.00 0.00 C ATOM 751 CG GLU A 46 6.184 9.459 -12.652 1.00 0.00 C ATOM 752 CD GLU A 46 5.937 8.887 -14.034 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.874 8.290 -14.606 1.00 0.00 O ATOM 754 OE2 GLU A 46 4.808 9.037 -14.545 1.00 0.00 O ATOM 0 H GLU A 46 9.236 7.999 -10.571 1.00 0.00 H new ATOM 0 HA GLU A 46 7.883 10.430 -10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.190 8.721 -12.542 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.005 7.703 -11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.266 9.396 -12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.434 10.516 -12.740 1.00 0.00 H new ATOM 761 N LYS A 47 6.210 8.063 -9.136 1.00 0.00 N ATOM 762 CA LYS A 47 5.115 7.829 -8.203 1.00 0.00 C ATOM 763 C LYS A 47 5.472 8.372 -6.825 1.00 0.00 C ATOM 764 O LYS A 47 4.638 8.965 -6.144 1.00 0.00 O ATOM 765 CB LYS A 47 4.799 6.335 -8.114 1.00 0.00 C ATOM 766 CG LYS A 47 4.682 5.655 -9.469 1.00 0.00 C ATOM 767 CD LYS A 47 3.301 5.850 -10.072 1.00 0.00 C ATOM 768 CE LYS A 47 3.290 6.987 -11.082 1.00 0.00 C ATOM 769 NZ LYS A 47 3.411 6.488 -12.479 1.00 0.00 N ATOM 0 H LYS A 47 6.742 7.228 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 47 4.231 8.351 -8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.580 5.841 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.865 6.202 -7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.436 6.057 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.886 4.590 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.981 4.928 -10.557 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.583 6.059 -9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.366 7.556 -10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.111 7.671 -10.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.400 7.293 -13.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.304 5.966 -12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.613 5.855 -12.692 1.00 0.00 H new ATOM 783 N ILE A 48 6.727 8.176 -6.430 1.00 0.00 N ATOM 784 CA ILE A 48 7.212 8.649 -5.138 1.00 0.00 C ATOM 785 C ILE A 48 6.904 10.132 -4.952 1.00 0.00 C ATOM 786 O ILE A 48 6.450 10.555 -3.889 1.00 0.00 O ATOM 787 CB ILE A 48 8.733 8.419 -5.002 1.00 0.00 C ATOM 788 CG1 ILE A 48 9.057 6.926 -5.082 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.259 9.007 -3.701 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.299 6.086 -4.078 1.00 0.00 C ATOM 0 H ILE A 48 7.429 7.691 -6.989 1.00 0.00 H new ATOM 0 HA ILE A 48 6.697 8.079 -4.365 1.00 0.00 H new ATOM 0 HB ILE A 48 9.228 8.929 -5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.832 6.567 -6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.127 6.786 -4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.332 8.831 -3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.065 10.079 -3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.757 8.532 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.580 5.039 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.543 6.417 -3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.228 6.195 -4.247 1.00 0.00 H new ATOM 802 N ALA A 49 7.155 10.916 -5.995 1.00 0.00 N ATOM 803 CA ALA A 49 6.902 12.351 -5.948 1.00 0.00 C ATOM 804 C ALA A 49 5.412 12.627 -5.786 1.00 0.00 C ATOM 805 O ALA A 49 4.989 13.291 -4.838 1.00 0.00 O ATOM 806 CB ALA A 49 7.434 13.024 -7.203 1.00 0.00 C ATOM 0 H ALA A 49 7.533 10.582 -6.882 1.00 0.00 H new ATOM 0 HA ALA A 49 7.424 12.765 -5.085 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.237 14.095 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.508 12.855 -7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.938 12.605 -8.079 1.00 0.00 H new ATOM 812 N GLU A 50 4.619 12.102 -6.714 1.00 0.00 N ATOM 813 CA GLU A 50 3.173 12.280 -6.673 1.00 0.00 C ATOM 814 C GLU A 50 2.610 11.748 -5.359 1.00 0.00 C ATOM 815 O GLU A 50 1.659 12.302 -4.808 1.00 0.00 O ATOM 816 CB GLU A 50 2.519 11.562 -7.859 1.00 0.00 C ATOM 817 CG GLU A 50 1.009 11.414 -7.736 1.00 0.00 C ATOM 818 CD GLU A 50 0.272 11.882 -8.976 1.00 0.00 C ATOM 819 OE1 GLU A 50 0.896 11.923 -10.057 1.00 0.00 O ATOM 820 OE2 GLU A 50 -0.928 12.208 -8.866 1.00 0.00 O ATOM 0 H GLU A 50 4.954 11.550 -7.504 1.00 0.00 H new ATOM 0 HA GLU A 50 2.950 13.345 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.747 12.110 -8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.964 10.572 -7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.765 10.369 -7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.661 11.984 -6.875 1.00 0.00 H new ATOM 827 N LEU A 51 3.216 10.677 -4.857 1.00 0.00 N ATOM 828 CA LEU A 51 2.784 10.069 -3.610 1.00 0.00 C ATOM 829 C LEU A 51 2.886 11.074 -2.471 1.00 0.00 C ATOM 830 O LEU A 51 1.895 11.366 -1.807 1.00 0.00 O ATOM 831 CB LEU A 51 3.637 8.832 -3.313 1.00 0.00 C ATOM 832 CG LEU A 51 3.090 7.871 -2.249 1.00 0.00 C ATOM 833 CD1 LEU A 51 3.932 7.942 -0.989 1.00 0.00 C ATOM 834 CD2 LEU A 51 1.627 8.154 -1.934 1.00 0.00 C ATOM 0 H LEU A 51 4.010 10.213 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 51 1.742 9.763 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.769 8.276 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.626 9.165 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 51 3.148 6.861 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.531 7.255 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.960 7.665 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.911 8.958 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.276 7.453 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.526 9.173 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.031 8.039 -2.839 1.00 0.00 H new ATOM 846 N LEU A 52 4.087 11.618 -2.270 1.00 0.00 N ATOM 847 CA LEU A 52 4.327 12.607 -1.230 1.00 0.00 C ATOM 848 C LEU A 52 3.208 13.633 -1.190 1.00 0.00 C ATOM 849 O LEU A 52 2.684 13.969 -0.128 1.00 0.00 O ATOM 850 CB LEU A 52 5.649 13.275 -1.480 1.00 0.00 C ATOM 851 CG LEU A 52 6.824 12.377 -1.152 1.00 0.00 C ATOM 852 CD1 LEU A 52 8.091 13.053 -1.557 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.836 12.034 0.328 1.00 0.00 C ATOM 0 H LEU A 52 4.913 11.385 -2.822 1.00 0.00 H new ATOM 0 HA LEU A 52 4.352 12.108 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.708 13.577 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.712 14.184 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 52 6.731 11.443 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.938 12.409 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.072 13.250 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.190 13.994 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.687 11.388 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.917 12.950 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.913 11.517 0.589 1.00 0.00 H new ATOM 865 N THR A 53 2.834 14.105 -2.372 1.00 0.00 N ATOM 866 CA THR A 53 1.757 15.077 -2.504 1.00 0.00 C ATOM 867 C THR A 53 0.416 14.421 -2.194 1.00 0.00 C ATOM 868 O THR A 53 -0.491 15.053 -1.654 1.00 0.00 O ATOM 869 CB THR A 53 1.744 15.661 -3.919 1.00 0.00 C ATOM 870 OG1 THR A 53 2.977 16.291 -4.212 1.00 0.00 O ATOM 871 CG2 THR A 53 0.646 16.679 -4.139 1.00 0.00 C ATOM 0 H THR A 53 3.262 13.829 -3.256 1.00 0.00 H new ATOM 0 HA THR A 53 1.925 15.885 -1.792 1.00 0.00 H new ATOM 0 HB THR A 53 1.566 14.812 -4.579 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.950 16.656 -5.121 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.695 17.052 -5.162 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.324 16.211 -3.970 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.775 17.509 -3.444 1.00 0.00 H new ATOM 879 N LYS A 54 0.307 13.140 -2.541 1.00 0.00 N ATOM 880 CA LYS A 54 -0.914 12.377 -2.307 1.00 0.00 C ATOM 881 C LYS A 54 -1.202 12.235 -0.814 1.00 0.00 C ATOM 882 O LYS A 54 -2.355 12.315 -0.388 1.00 0.00 O ATOM 883 CB LYS A 54 -0.803 10.989 -2.954 1.00 0.00 C ATOM 884 CG LYS A 54 -1.940 10.676 -3.913 1.00 0.00 C ATOM 885 CD LYS A 54 -2.322 9.206 -3.864 1.00 0.00 C ATOM 886 CE LYS A 54 -2.870 8.728 -5.199 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.058 9.517 -5.626 1.00 0.00 N ATOM 0 H LYS A 54 1.054 12.608 -2.987 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.742 12.921 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.144 10.921 -3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.780 10.232 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.807 11.287 -3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.645 10.943 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.450 8.611 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.069 9.049 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.092 8.803 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.141 7.675 -5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.493 9.068 -6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.749 9.551 -4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.763 10.484 -5.870 1.00 0.00 H new ATOM 901 N LEU A 55 -0.155 12.014 -0.021 1.00 0.00 N ATOM 902 CA LEU A 55 -0.317 11.857 1.421 1.00 0.00 C ATOM 903 C LEU A 55 -0.941 13.101 2.041 1.00 0.00 C ATOM 904 O LEU A 55 -2.072 13.066 2.527 1.00 0.00 O ATOM 905 CB LEU A 55 1.023 11.561 2.087 1.00 0.00 C ATOM 906 CG LEU A 55 1.688 10.272 1.614 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.722 10.581 0.556 1.00 0.00 C ATOM 908 CD2 LEU A 55 2.321 9.529 2.774 1.00 0.00 C ATOM 0 H LEU A 55 0.807 11.940 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.987 11.014 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.700 12.395 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.875 11.505 3.165 1.00 0.00 H new ATOM 0 HG LEU A 55 0.922 9.628 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.191 9.655 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.240 11.068 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.481 11.244 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.788 8.614 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.077 10.160 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.554 9.278 3.507 1.00 0.00 H new ATOM 920 N GLY A 56 -0.196 14.202 2.016 1.00 0.00 N ATOM 921 CA GLY A 56 -0.688 15.446 2.578 1.00 0.00 C ATOM 922 C GLY A 56 0.433 16.403 2.933 1.00 0.00 C ATOM 923 O GLY A 56 0.287 17.618 2.804 1.00 0.00 O ATOM 0 H GLY A 56 0.741 14.254 1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.358 15.924 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.275 15.231 3.471 1.00 0.00 H new ATOM 927 N ARG A 57 1.556 15.851 3.382 1.00 0.00 N ATOM 928 CA ARG A 57 2.712 16.659 3.762 1.00 0.00 C ATOM 929 C ARG A 57 3.841 16.507 2.745 1.00 0.00 C ATOM 930 O ARG A 57 3.626 16.025 1.632 1.00 0.00 O ATOM 931 CB ARG A 57 3.201 16.251 5.155 1.00 0.00 C ATOM 932 CG ARG A 57 3.390 17.426 6.101 1.00 0.00 C ATOM 933 CD ARG A 57 2.192 17.599 7.020 1.00 0.00 C ATOM 934 NE ARG A 57 2.047 18.978 7.477 1.00 0.00 N ATOM 935 CZ ARG A 57 1.516 19.952 6.738 1.00 0.00 C ATOM 936 NH1 ARG A 57 1.079 19.700 5.510 1.00 0.00 N ATOM 937 NH2 ARG A 57 1.421 21.179 7.229 1.00 0.00 N ATOM 0 H ARG A 57 1.691 14.846 3.492 1.00 0.00 H new ATOM 0 HA ARG A 57 2.408 17.706 3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.486 15.554 5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.147 15.718 5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.289 17.273 6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.542 18.338 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.286 17.294 6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.299 16.941 7.882 1.00 0.00 H new ATOM 0 HE ARG A 57 2.371 19.210 8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.149 18.757 5.127 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.674 20.449 4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.754 21.378 8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.015 21.924 6.664 1.00 0.00 H new ATOM 951 N ASP A 58 5.043 16.922 3.133 1.00 0.00 N ATOM 952 CA ASP A 58 6.204 16.831 2.254 1.00 0.00 C ATOM 953 C ASP A 58 7.053 15.613 2.603 1.00 0.00 C ATOM 954 O ASP A 58 7.665 14.998 1.728 1.00 0.00 O ATOM 955 CB ASP A 58 7.049 18.103 2.357 1.00 0.00 C ATOM 956 CG ASP A 58 6.467 19.249 1.553 1.00 0.00 C ATOM 957 OD1 ASP A 58 6.809 19.370 0.358 1.00 0.00 O ATOM 958 OD2 ASP A 58 5.671 20.028 2.120 1.00 0.00 O ATOM 0 H ASP A 58 5.238 17.324 4.050 1.00 0.00 H new ATOM 0 HA ASP A 58 5.847 16.723 1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.128 18.400 3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.060 17.894 2.007 1.00 0.00 H new ATOM 963 N THR A 59 7.085 15.270 3.886 1.00 0.00 N ATOM 964 CA THR A 59 7.857 14.125 4.353 1.00 0.00 C ATOM 965 C THR A 59 6.950 13.094 5.016 1.00 0.00 C ATOM 966 O THR A 59 5.774 13.359 5.267 1.00 0.00 O ATOM 967 CB THR A 59 8.938 14.577 5.336 1.00 0.00 C ATOM 968 OG1 THR A 59 9.672 13.467 5.822 1.00 0.00 O ATOM 969 CG2 THR A 59 8.385 15.321 6.532 1.00 0.00 C ATOM 0 H THR A 59 6.585 15.769 4.622 1.00 0.00 H new ATOM 0 HA THR A 59 8.334 13.663 3.489 1.00 0.00 H new ATOM 0 HB THR A 59 9.577 15.255 4.770 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.359 13.778 6.448 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.204 15.613 7.189 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.856 16.212 6.194 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.696 14.675 7.076 1.00 0.00 H new ATOM 977 N GLN A 60 7.503 11.918 5.300 1.00 0.00 N ATOM 978 CA GLN A 60 6.743 10.848 5.937 1.00 0.00 C ATOM 979 C GLN A 60 7.266 10.571 7.341 1.00 0.00 C ATOM 980 O GLN A 60 8.270 9.881 7.519 1.00 0.00 O ATOM 981 CB GLN A 60 6.809 9.572 5.099 1.00 0.00 C ATOM 982 CG GLN A 60 8.222 9.058 4.872 1.00 0.00 C ATOM 983 CD GLN A 60 8.330 8.189 3.634 1.00 0.00 C ATOM 984 OE1 GLN A 60 8.474 6.970 3.728 1.00 0.00 O ATOM 985 NE2 GLN A 60 8.258 8.814 2.465 1.00 0.00 N ATOM 0 H GLN A 60 8.475 11.682 5.099 1.00 0.00 H new ATOM 0 HA GLN A 60 5.705 11.172 6.010 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.225 8.795 5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.341 9.759 4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.903 9.904 4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.542 8.486 5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.138 9.826 2.435 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.322 8.282 1.597 1.00 0.00 H new ATOM 994 N ILE A 61 6.574 11.113 8.332 1.00 0.00 N ATOM 995 CA ILE A 61 6.958 10.934 9.729 1.00 0.00 C ATOM 996 C ILE A 61 6.502 9.580 10.262 1.00 0.00 C ATOM 997 O ILE A 61 5.479 9.482 10.941 1.00 0.00 O ATOM 998 CB ILE A 61 6.367 12.046 10.618 1.00 0.00 C ATOM 999 CG1 ILE A 61 6.637 13.420 10.003 1.00 0.00 C ATOM 1000 CG2 ILE A 61 6.946 11.966 12.023 1.00 0.00 C ATOM 1001 CD1 ILE A 61 6.063 14.566 10.809 1.00 0.00 C ATOM 0 H ILE A 61 5.739 11.683 8.196 1.00 0.00 H new ATOM 0 HA ILE A 61 8.046 10.985 9.764 1.00 0.00 H new ATOM 0 HB ILE A 61 5.288 11.903 10.682 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.713 13.560 9.904 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.218 13.448 8.997 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.519 12.758 12.638 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.706 10.997 12.461 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.028 12.086 11.978 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.292 15.510 10.314 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.982 14.450 10.887 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.501 14.564 11.807 1.00 0.00 H new ATOM 1013 N GLY A 62 7.269 8.538 9.958 1.00 0.00 N ATOM 1014 CA GLY A 62 6.926 7.207 10.423 1.00 0.00 C ATOM 1015 C GLY A 62 6.210 6.381 9.370 1.00 0.00 C ATOM 1016 O GLY A 62 6.152 5.156 9.470 1.00 0.00 O ATOM 0 H GLY A 62 8.120 8.591 9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.835 6.689 10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.293 7.288 11.307 1.00 0.00 H new ATOM 1020 N LEU A 63 5.660 7.050 8.361 1.00 0.00 N ATOM 1021 CA LEU A 63 4.946 6.361 7.292 1.00 0.00 C ATOM 1022 C LEU A 63 5.860 5.370 6.577 1.00 0.00 C ATOM 1023 O LEU A 63 7.014 5.678 6.279 1.00 0.00 O ATOM 1024 CB LEU A 63 4.376 7.371 6.294 1.00 0.00 C ATOM 1025 CG LEU A 63 2.891 7.194 5.972 1.00 0.00 C ATOM 1026 CD1 LEU A 63 2.602 5.760 5.557 1.00 0.00 C ATOM 1027 CD2 LEU A 63 2.038 7.588 7.167 1.00 0.00 C ATOM 0 H LEU A 63 5.695 8.065 8.262 1.00 0.00 H new ATOM 0 HA LEU A 63 4.122 5.805 7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.530 8.375 6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.944 7.303 5.366 1.00 0.00 H new ATOM 0 HG LEU A 63 2.638 7.849 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.541 5.653 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.188 5.512 4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.870 5.085 6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.984 7.456 6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.293 6.959 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.224 8.632 7.418 1.00 0.00 H new ATOM 1039 N THR A 64 5.337 4.177 6.313 1.00 0.00 N ATOM 1040 CA THR A 64 6.110 3.139 5.645 1.00 0.00 C ATOM 1041 C THR A 64 5.241 2.329 4.686 1.00 0.00 C ATOM 1042 O THR A 64 4.018 2.470 4.664 1.00 0.00 O ATOM 1043 CB THR A 64 6.749 2.208 6.677 1.00 0.00 C ATOM 1044 OG1 THR A 64 7.029 2.909 7.877 1.00 0.00 O ATOM 1045 CG2 THR A 64 8.041 1.583 6.198 1.00 0.00 C ATOM 0 H THR A 64 4.383 3.906 6.551 1.00 0.00 H new ATOM 0 HA THR A 64 6.893 3.628 5.065 1.00 0.00 H new ATOM 0 HB THR A 64 6.020 1.415 6.843 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.436 2.297 8.526 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.442 0.934 6.977 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.850 0.996 5.300 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.763 2.368 5.972 1.00 0.00 H new ATOM 1053 N MET A 65 5.888 1.477 3.897 1.00 0.00 N ATOM 1054 CA MET A 65 5.185 0.633 2.940 1.00 0.00 C ATOM 1055 C MET A 65 4.785 -0.690 3.585 1.00 0.00 C ATOM 1056 O MET A 65 5.428 -1.145 4.530 1.00 0.00 O ATOM 1057 CB MET A 65 6.064 0.374 1.715 1.00 0.00 C ATOM 1058 CG MET A 65 6.584 1.643 1.059 1.00 0.00 C ATOM 1059 SD MET A 65 8.292 2.006 1.506 1.00 0.00 S ATOM 1060 CE MET A 65 8.249 3.795 1.588 1.00 0.00 C ATOM 0 H MET A 65 6.900 1.353 3.903 1.00 0.00 H new ATOM 0 HA MET A 65 4.281 1.153 2.623 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.911 -0.245 2.010 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.493 -0.196 0.982 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.509 1.544 -0.024 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.951 2.482 1.347 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.237 4.171 1.855 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.958 4.197 0.617 1.00 0.00 H new ATOM 0 HE3 MET A 65 7.526 4.107 2.341 1.00 0.00 H new ATOM 1070 N PRO A 66 3.711 -1.328 3.088 1.00 0.00 N ATOM 1071 CA PRO A 66 2.911 -0.829 1.964 1.00 0.00 C ATOM 1072 C PRO A 66 1.965 0.302 2.362 1.00 0.00 C ATOM 1073 O PRO A 66 1.320 0.249 3.411 1.00 0.00 O ATOM 1074 CB PRO A 66 2.102 -2.059 1.517 1.00 0.00 C ATOM 1075 CG PRO A 66 2.618 -3.203 2.329 1.00 0.00 C ATOM 1076 CD PRO A 66 3.188 -2.603 3.578 1.00 0.00 C ATOM 0 HA PRO A 66 3.546 -0.407 1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.036 -1.909 1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.232 -2.246 0.451 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.819 -3.906 2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.379 -3.758 1.781 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.429 -2.464 4.348 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.971 -3.226 4.010 1.00 0.00 H new ATOM 1084 N GLN A 67 1.867 1.313 1.502 1.00 0.00 N ATOM 1085 CA GLN A 67 0.988 2.448 1.743 1.00 0.00 C ATOM 1086 C GLN A 67 -0.291 2.298 0.930 1.00 0.00 C ATOM 1087 O GLN A 67 -0.265 2.339 -0.298 1.00 0.00 O ATOM 1088 CB GLN A 67 1.694 3.755 1.378 1.00 0.00 C ATOM 1089 CG GLN A 67 2.284 4.483 2.575 1.00 0.00 C ATOM 1090 CD GLN A 67 3.401 5.432 2.188 1.00 0.00 C ATOM 1091 OE1 GLN A 67 3.221 6.309 1.343 1.00 0.00 O ATOM 1092 NE2 GLN A 67 4.562 5.263 2.809 1.00 0.00 N ATOM 0 H GLN A 67 2.390 1.366 0.628 1.00 0.00 H new ATOM 0 HA GLN A 67 0.733 2.475 2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.490 3.541 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.985 4.413 0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.496 5.042 3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.664 3.752 3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.666 4.523 3.503 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.350 5.873 2.592 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.409 2.104 1.616 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.685 1.931 0.939 1.00 0.00 C ATOM 1103 C VAL A 68 -3.407 3.260 0.746 1.00 0.00 C ATOM 1104 O VAL A 68 -3.079 4.261 1.385 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.608 0.955 1.702 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.710 0.438 0.790 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.812 -0.205 2.290 1.00 0.00 C ATOM 0 H VAL A 68 -1.458 2.063 2.634 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.457 1.509 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.068 1.501 2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.350 -0.248 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.305 1.276 0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.266 -0.085 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.486 -0.876 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.316 -0.750 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.064 0.181 2.983 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.397 3.257 -0.141 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.174 4.455 -0.432 1.00 0.00 C ATOM 1119 C PHE A 69 -6.641 4.096 -0.650 1.00 0.00 C ATOM 1120 O PHE A 69 -6.964 3.152 -1.373 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.615 5.157 -1.670 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.450 6.059 -1.376 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.658 7.368 -0.977 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -2.148 5.597 -1.501 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.590 8.203 -0.709 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -1.074 6.426 -1.233 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.296 7.733 -0.837 1.00 0.00 C ATOM 0 H PHE A 69 -4.680 2.434 -0.672 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.103 5.132 0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.307 4.405 -2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.408 5.742 -2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.666 7.741 -0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.971 4.578 -1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.766 9.223 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.065 6.054 -1.333 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.460 8.385 -0.628 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.521 4.843 0.006 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.961 4.609 -0.074 1.00 0.00 C ATOM 1139 C ALA A 70 -9.453 4.453 -1.514 1.00 0.00 C ATOM 1140 O ALA A 70 -8.898 5.046 -2.439 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.711 5.738 0.616 1.00 0.00 C ATOM 0 H ALA A 70 -7.260 5.625 0.606 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.162 3.667 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.784 5.555 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.413 5.786 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.474 6.684 0.128 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.519 3.653 -1.710 1.00 0.00 N ATOM 1148 CA PRO A 71 -11.116 3.420 -3.034 1.00 0.00 C ATOM 1149 C PRO A 71 -11.553 4.721 -3.697 1.00 0.00 C ATOM 1150 O PRO A 71 -11.566 4.833 -4.922 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.334 2.540 -2.723 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.006 1.890 -1.430 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.241 2.919 -0.653 1.00 0.00 C ATOM 0 HA PRO A 71 -10.413 2.963 -3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.244 3.135 -2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.500 1.801 -3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.910 1.589 -0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.411 0.989 -1.582 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.903 3.573 -0.086 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.557 2.461 0.061 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.906 5.703 -2.875 1.00 0.00 N ATOM 1162 CA ASP A 72 -12.341 7.002 -3.375 1.00 0.00 C ATOM 1163 C ASP A 72 -11.174 7.986 -3.433 1.00 0.00 C ATOM 1164 O ASP A 72 -11.207 8.959 -4.185 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.453 7.565 -2.486 1.00 0.00 C ATOM 1166 CG ASP A 72 -12.992 7.797 -1.061 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -12.322 8.822 -0.813 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -13.301 6.955 -0.192 1.00 0.00 O ATOM 0 H ASP A 72 -11.899 5.624 -1.858 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.724 6.864 -4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.810 8.505 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.297 6.875 -2.484 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.145 7.727 -2.630 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.987 8.601 -2.608 1.00 0.00 C ATOM 1175 C GLY A 73 -8.718 9.176 -1.231 1.00 0.00 C ATOM 1176 O GLY A 73 -9.058 10.326 -0.954 1.00 0.00 O ATOM 0 H GLY A 73 -10.093 6.929 -1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.111 8.046 -2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.138 9.416 -3.315 1.00 0.00 H new ATOM 1180 N SER A 74 -8.107 8.374 -0.364 1.00 0.00 N ATOM 1181 CA SER A 74 -7.791 8.810 0.992 1.00 0.00 C ATOM 1182 C SER A 74 -6.776 7.873 1.643 1.00 0.00 C ATOM 1183 O SER A 74 -7.035 6.682 1.812 1.00 0.00 O ATOM 1184 CB SER A 74 -9.063 8.869 1.841 1.00 0.00 C ATOM 1185 OG SER A 74 -10.222 8.905 1.026 1.00 0.00 O ATOM 0 H SER A 74 -7.821 7.418 -0.577 1.00 0.00 H new ATOM 0 HA SER A 74 -7.354 9.807 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.105 8.001 2.499 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.037 9.752 2.479 1.00 0.00 H new ATOM 0 HG SER A 74 -11.020 8.941 1.594 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.620 8.420 2.007 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.563 7.634 2.641 1.00 0.00 C ATOM 1193 C HIS A 75 -5.103 6.849 3.830 1.00 0.00 C ATOM 1194 O HIS A 75 -5.467 7.426 4.854 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.428 8.553 3.097 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.131 7.839 3.321 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.198 8.221 4.258 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.618 6.744 2.705 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.168 7.367 4.184 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.374 6.451 3.258 1.00 0.00 N ATOM 0 H HIS A 75 -5.390 9.405 1.874 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.181 6.925 1.907 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.280 9.332 2.349 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.723 9.050 4.021 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.277 9.013 4.895 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.098 6.189 1.913 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.716 7.422 4.802 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.150 5.527 3.689 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.647 4.665 4.756 1.00 0.00 C ATOM 1210 C ILE A 76 -4.523 4.269 5.706 1.00 0.00 C ATOM 1211 O ILE A 76 -4.650 4.400 6.923 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.298 3.386 4.193 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.350 3.739 3.141 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.917 2.565 5.316 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.693 2.584 2.225 1.00 0.00 C ATOM 0 H ILE A 76 -4.851 5.031 2.849 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.399 5.237 5.299 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.524 2.786 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.257 4.077 3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.988 4.574 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.372 1.666 4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.143 2.284 6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.680 3.157 5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.445 2.903 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.797 2.260 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.085 1.756 2.815 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.424 3.782 5.142 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.294 3.371 5.953 1.00 0.00 C ATOM 1229 C GLY A 77 -1.843 1.958 5.650 1.00 0.00 C ATOM 1230 O GLY A 77 -2.055 1.453 4.549 1.00 0.00 O ATOM 0 H GLY A 77 -3.295 3.664 4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.463 4.057 5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.562 3.445 7.007 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.217 1.322 6.631 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.743 -0.038 6.452 1.00 0.00 C ATOM 1236 C GLY A 78 -1.808 -1.066 6.781 1.00 0.00 C ATOM 1237 O GLY A 78 -2.990 -0.841 6.530 1.00 0.00 O ATOM 0 H GLY A 78 -1.028 1.724 7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.416 -0.174 5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.127 -0.204 7.087 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.394 -2.196 7.345 1.00 0.00 N ATOM 1242 CA PHE A 79 -2.331 -3.252 7.709 1.00 0.00 C ATOM 1243 C PHE A 79 -3.150 -2.853 8.930 1.00 0.00 C ATOM 1244 O PHE A 79 -4.350 -2.607 8.823 1.00 0.00 O ATOM 1245 CB PHE A 79 -1.592 -4.564 7.968 1.00 0.00 C ATOM 1246 CG PHE A 79 -2.422 -5.773 7.655 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -3.734 -5.850 8.090 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.899 -6.832 6.931 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -4.507 -6.957 7.815 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.668 -7.941 6.654 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.973 -8.005 7.097 1.00 0.00 C ATOM 0 H PHE A 79 -0.419 -2.403 7.559 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.014 -3.400 6.872 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.683 -4.588 7.367 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.284 -4.602 9.013 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.157 -5.031 8.653 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.878 -6.788 6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.529 -7.003 8.161 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.249 -8.761 6.090 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.575 -8.875 6.881 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.499 -2.775 10.088 1.00 0.00 N ATOM 1262 CA ASP A 80 -3.183 -2.393 11.323 1.00 0.00 C ATOM 1263 C ASP A 80 -4.049 -1.160 11.091 1.00 0.00 C ATOM 1264 O ASP A 80 -5.187 -1.083 11.558 1.00 0.00 O ATOM 1265 CB ASP A 80 -2.167 -2.117 12.432 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.825 -1.948 13.787 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.194 -2.972 14.399 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.972 -0.792 14.236 1.00 0.00 O ATOM 0 H ASP A 80 -1.504 -2.970 10.198 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.823 -3.220 11.631 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.451 -2.938 12.478 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.604 -1.216 12.189 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.498 -0.203 10.354 1.00 0.00 N ATOM 1274 CA GLN A 81 -4.210 1.028 10.040 1.00 0.00 C ATOM 1275 C GLN A 81 -5.439 0.728 9.189 1.00 0.00 C ATOM 1276 O GLN A 81 -6.502 1.316 9.385 1.00 0.00 O ATOM 1277 CB GLN A 81 -3.287 2.005 9.310 1.00 0.00 C ATOM 1278 CG GLN A 81 -3.369 3.429 9.836 1.00 0.00 C ATOM 1279 CD GLN A 81 -2.020 3.970 10.274 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -1.566 3.707 11.387 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -1.375 4.731 9.399 1.00 0.00 N ATOM 0 H GLN A 81 -2.558 -0.257 9.962 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.536 1.487 10.973 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.259 1.654 9.396 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.537 2.004 8.249 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.781 4.075 9.061 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.060 3.462 10.678 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.790 4.923 8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.465 5.124 9.638 1.00 0.00 H new ATOM 1290 N LEU A 82 -5.285 -0.197 8.247 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.383 -0.581 7.369 1.00 0.00 C ATOM 1292 C LEU A 82 -7.424 -1.405 8.112 1.00 0.00 C ATOM 1293 O LEU A 82 -8.621 -1.164 7.971 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.872 -1.342 6.164 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.889 -1.424 5.037 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.404 -0.685 3.806 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.194 -2.865 4.726 1.00 0.00 C ATOM 0 H LEU A 82 -4.411 -0.694 8.073 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.860 0.336 7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.967 -0.860 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.594 -2.351 6.469 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.809 -0.938 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.152 -0.761 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.242 0.364 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.468 -1.126 3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.923 -2.916 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.279 -3.373 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.601 -3.350 5.613 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.976 -2.358 8.926 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.901 -3.180 9.699 1.00 0.00 C ATOM 1311 C ARG A 83 -8.887 -2.278 10.429 1.00 0.00 C ATOM 1312 O ARG A 83 -10.056 -2.621 10.602 1.00 0.00 O ATOM 1313 CB ARG A 83 -7.140 -4.057 10.697 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.380 -5.545 10.504 1.00 0.00 C ATOM 1315 CD ARG A 83 -7.107 -6.325 11.780 1.00 0.00 C ATOM 1316 NE ARG A 83 -7.143 -7.768 11.557 1.00 0.00 N ATOM 1317 CZ ARG A 83 -6.150 -8.457 10.998 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -5.045 -7.838 10.602 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -6.265 -9.767 10.831 1.00 0.00 N ATOM 0 H ARG A 83 -5.990 -2.578 9.066 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.446 -3.837 9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.073 -3.855 10.606 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.432 -3.778 11.710 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.410 -5.710 10.189 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.739 -5.917 9.705 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.131 -6.043 12.175 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.846 -6.056 12.535 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.978 -8.278 11.846 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.953 -6.830 10.725 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.287 -8.371 10.174 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.114 -10.247 11.131 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.505 -10.295 10.403 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.403 -1.103 10.829 1.00 0.00 N ATOM 1334 CA GLU A 84 -9.243 -0.129 11.506 1.00 0.00 C ATOM 1335 C GLU A 84 -10.248 0.440 10.515 1.00 0.00 C ATOM 1336 O GLU A 84 -11.405 0.688 10.855 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.394 0.995 12.104 1.00 0.00 C ATOM 1338 CG GLU A 84 -8.966 1.575 13.387 1.00 0.00 C ATOM 1339 CD GLU A 84 -7.966 2.435 14.135 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -6.832 1.965 14.363 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -8.317 3.579 14.491 1.00 0.00 O ATOM 0 H GLU A 84 -7.436 -0.807 10.694 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.773 -0.621 12.321 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.392 0.615 12.302 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.293 1.793 11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.847 2.171 13.150 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.296 0.762 14.034 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.800 0.615 9.274 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.656 1.117 8.215 1.00 0.00 C ATOM 1350 C TYR A 85 -11.787 0.127 7.964 1.00 0.00 C ATOM 1351 O TYR A 85 -12.911 0.511 7.645 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.834 1.319 6.940 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.561 2.054 5.837 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.614 1.459 5.155 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.185 3.340 5.472 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.272 2.126 4.141 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.838 4.012 4.459 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.881 3.402 3.797 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.534 4.069 2.785 1.00 0.00 O ATOM 0 H TYR A 85 -8.844 0.414 8.981 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.083 2.075 8.512 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.927 1.870 7.190 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.522 0.344 6.566 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.923 0.459 5.422 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.368 3.822 5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.089 1.650 3.620 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.533 5.011 4.186 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.136 4.957 2.669 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.471 -1.157 8.132 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.440 -2.232 7.936 1.00 0.00 C ATOM 1371 C PHE A 86 -13.241 -2.487 9.210 1.00 0.00 C ATOM 1372 O PHE A 86 -14.433 -2.187 9.276 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.713 -3.514 7.508 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.370 -3.559 6.044 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.253 -3.073 5.090 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.156 -4.072 5.623 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -11.928 -3.098 3.749 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.829 -4.103 4.282 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.715 -3.613 3.344 1.00 0.00 C ATOM 0 H PHE A 86 -10.543 -1.478 8.406 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.135 -1.930 7.153 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.796 -3.612 8.089 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.338 -4.373 7.752 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.206 -2.670 5.401 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.456 -4.453 6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.624 -2.714 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.880 -4.511 3.967 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.459 -3.633 2.295 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.579 -3.046 10.218 1.00 0.00 N ATOM 1390 CA LYS A 87 -13.229 -3.345 11.490 1.00 0.00 C ATOM 1391 C LYS A 87 -14.398 -4.305 11.291 1.00 0.00 C ATOM 1392 O LYS A 87 -14.624 -4.730 10.139 1.00 0.00 O ATOM 1393 CB LYS A 87 -13.720 -2.054 12.150 1.00 0.00 C ATOM 1394 CG LYS A 87 -12.729 -1.463 13.139 1.00 0.00 C ATOM 1395 CD LYS A 87 -12.898 -2.067 14.524 1.00 0.00 C ATOM 1396 CE LYS A 87 -11.618 -1.958 15.338 1.00 0.00 C ATOM 1397 NZ LYS A 87 -11.645 -0.789 16.260 1.00 0.00 N ATOM 1398 OXT LYS A 87 -15.075 -4.626 12.290 1.00 0.00 O ATOM 0 H LYS A 87 -11.592 -3.301 10.179 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.497 -3.823 12.141 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.931 -1.317 11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.660 -2.253 12.665 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.713 -1.638 12.786 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.867 -0.383 13.192 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.708 -1.559 15.047 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.185 -3.115 14.433 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.475 -2.872 15.915 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.766 -1.870 14.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.755 -0.750 16.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.756 0.086 15.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.443 -0.886 16.920 1.00 0.00 H new