USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 626 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 72 THR OG1 : rot -93:sc= 0.0903 USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 54 GLN :FLIP amide:sc= -1.43 F(o=-4.7,f=-3.8) USER MOD Set 2.2: A 56 THR OG1 : rot -170:sc= -2.4 USER MOD Set 3.1: A 42 SER OG : rot 107:sc= -2.84! USER MOD Set 3.2: A 59 HIS :FLIP no HD1:sc= -5.05! C(o=-11!,f=-7.9!) USER MOD Set 4.1: A 2 SER OG : rot -150:sc= 0.0145 USER MOD Set 4.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 6 THR OG1 : rot -40:sc= 0.143 USER MOD Set 5.2: A 15 ASN : amide:sc= -6.56! C(o=-6.3!,f=-18!) USER MOD Set 5.3: A 17 HIS : no HD1:sc= 0.118 K(o=-6.3,f=-12!) USER MOD Set 6.1: A 14 ASN : amide:sc= -7.77! C(o=-8!,f=-14!) USER MOD Set 6.2: A 63 SER OG : rot -120:sc= -0.225 USER MOD Single : A 1 GLY N :NH3+ -171:sc= -0.0346 (180deg=-0.174) USER MOD Single : A 8 CYS SG : rot -37:sc= 0.195 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -10:sc= -1.55! USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= -0.341 (180deg=-1.21!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.463 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.275 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -57:sc= 1.14 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -17! C(o=-17!,f=-20!) USER MOD Single : A 67 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.96) USER MOD Single : A 71 LYS NZ :NH3+ -128:sc= 0.305 (180deg=-0.994) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -49:sc= 0.912 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.574 18.233 0.058 1.00 0.00 N ATOM 2 CA GLY A 1 5.537 18.289 1.191 1.00 0.00 C ATOM 3 C GLY A 1 5.139 17.376 2.333 1.00 0.00 C ATOM 4 O GLY A 1 5.991 16.899 3.083 1.00 0.00 O ATOM 0 H1 GLY A 1 4.964 18.752 -0.755 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.411 17.242 -0.210 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.674 18.666 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.529 18.010 0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.606 19.314 1.556 1.00 0.00 H new ATOM 10 N SER A 2 3.840 17.129 2.463 1.00 0.00 N ATOM 11 CA SER A 2 3.330 16.264 3.520 1.00 0.00 C ATOM 12 C SER A 2 3.893 14.852 3.381 1.00 0.00 C ATOM 13 O SER A 2 4.487 14.511 2.358 1.00 0.00 O ATOM 14 CB SER A 2 1.801 16.223 3.480 1.00 0.00 C ATOM 15 OG SER A 2 1.312 16.627 2.214 1.00 0.00 O ATOM 0 H SER A 2 3.122 17.515 1.850 1.00 0.00 H new ATOM 0 HA SER A 2 3.650 16.672 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.456 15.213 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.396 16.875 4.254 1.00 0.00 H new ATOM 0 HG SER A 2 0.432 17.045 2.321 1.00 0.00 H new ATOM 21 N PRO A 3 3.715 14.010 4.413 1.00 0.00 N ATOM 22 CA PRO A 3 4.212 12.631 4.398 1.00 0.00 C ATOM 23 C PRO A 3 3.380 11.716 3.499 1.00 0.00 C ATOM 24 O PRO A 3 2.849 10.703 3.955 1.00 0.00 O ATOM 25 CB PRO A 3 4.084 12.201 5.860 1.00 0.00 C ATOM 26 CG PRO A 3 2.960 13.018 6.396 1.00 0.00 C ATOM 27 CD PRO A 3 3.022 14.337 5.675 1.00 0.00 C ATOM 0 HA PRO A 3 5.225 12.567 4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.873 11.135 5.942 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.007 12.387 6.410 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.003 12.525 6.224 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.058 13.157 7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.026 14.741 5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.569 15.084 6.251 1.00 0.00 H new ATOM 35 N GLY A 4 3.275 12.072 2.219 1.00 0.00 N ATOM 36 CA GLY A 4 2.510 11.261 1.287 1.00 0.00 C ATOM 37 C GLY A 4 3.413 10.562 0.274 1.00 0.00 C ATOM 38 O GLY A 4 4.623 10.759 0.311 1.00 0.00 O ATOM 0 H GLY A 4 3.704 12.904 1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.937 10.516 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.792 11.890 0.761 1.00 0.00 H new ATOM 42 N PHE A 5 2.844 9.747 -0.636 1.00 0.00 N ATOM 43 CA PHE A 5 3.657 9.042 -1.634 1.00 0.00 C ATOM 44 C PHE A 5 2.840 8.557 -2.855 1.00 0.00 C ATOM 45 O PHE A 5 3.276 8.723 -3.988 1.00 0.00 O ATOM 46 CB PHE A 5 4.353 7.846 -0.984 1.00 0.00 C ATOM 47 CG PHE A 5 5.480 8.206 -0.053 1.00 0.00 C ATOM 48 CD1 PHE A 5 6.427 9.158 -0.403 1.00 0.00 C ATOM 49 CD2 PHE A 5 5.590 7.582 1.179 1.00 0.00 C ATOM 50 CE1 PHE A 5 7.458 9.480 0.459 1.00 0.00 C ATOM 51 CE2 PHE A 5 6.619 7.901 2.045 1.00 0.00 C ATOM 52 CZ PHE A 5 7.553 8.850 1.685 1.00 0.00 C ATOM 0 H PHE A 5 1.842 9.566 -0.697 1.00 0.00 H new ATOM 0 HA PHE A 5 4.389 9.761 -2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.613 7.268 -0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.741 7.197 -1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.357 9.653 -1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.863 6.837 1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.188 10.223 0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.692 7.408 3.003 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.358 9.100 2.361 1.00 0.00 H new ATOM 62 N THR A 6 1.668 7.955 -2.597 1.00 0.00 N ATOM 63 CA THR A 6 0.750 7.407 -3.641 1.00 0.00 C ATOM 64 C THR A 6 0.543 5.889 -3.451 1.00 0.00 C ATOM 65 O THR A 6 1.471 5.104 -3.640 1.00 0.00 O ATOM 66 CB THR A 6 1.256 7.681 -5.064 1.00 0.00 C ATOM 67 OG1 THR A 6 1.315 9.075 -5.317 1.00 0.00 O ATOM 68 CG2 THR A 6 0.388 7.062 -6.138 1.00 0.00 C ATOM 0 H THR A 6 1.315 7.827 -1.648 1.00 0.00 H new ATOM 0 HA THR A 6 -0.203 7.922 -3.517 1.00 0.00 H new ATOM 0 HB THR A 6 2.246 7.227 -5.109 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.529 9.512 -4.927 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.802 7.294 -7.119 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.358 5.981 -6.003 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.622 7.465 -6.066 1.00 0.00 H new ATOM 76 N CYS A 7 -0.686 5.487 -3.059 1.00 0.00 N ATOM 77 CA CYS A 7 -1.009 4.071 -2.828 1.00 0.00 C ATOM 78 C CYS A 7 -1.375 3.406 -4.143 1.00 0.00 C ATOM 79 O CYS A 7 -1.873 2.281 -4.158 1.00 0.00 O ATOM 80 CB CYS A 7 -2.176 3.871 -1.803 1.00 0.00 C ATOM 81 SG CYS A 7 -2.726 2.139 -1.686 1.00 0.00 S ATOM 0 H CYS A 7 -1.465 6.125 -2.898 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.119 3.610 -2.400 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.852 4.211 -0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.020 4.496 -2.094 1.00 0.00 H new ATOM 86 N CYS A 8 -1.161 4.097 -5.262 1.00 0.00 N ATOM 87 CA CYS A 8 -1.532 3.521 -6.536 1.00 0.00 C ATOM 88 C CYS A 8 -3.006 3.122 -6.429 1.00 0.00 C ATOM 89 O CYS A 8 -3.481 2.175 -7.049 1.00 0.00 O ATOM 90 CB CYS A 8 -0.622 2.323 -6.824 1.00 0.00 C ATOM 91 SG CYS A 8 -1.104 1.318 -8.248 1.00 0.00 S ATOM 0 H CYS A 8 -0.745 5.027 -5.306 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.410 4.220 -7.363 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.393 2.687 -6.983 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.597 1.685 -5.941 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.401 1.250 -8.312 1.00 0.00 H new ATOM 97 N VAL A 9 -3.690 3.883 -5.568 1.00 0.00 N ATOM 98 CA VAL A 9 -5.100 3.706 -5.241 1.00 0.00 C ATOM 99 C VAL A 9 -5.995 4.197 -6.373 1.00 0.00 C ATOM 100 O VAL A 9 -6.217 5.398 -6.523 1.00 0.00 O ATOM 101 CB VAL A 9 -5.408 4.488 -3.925 1.00 0.00 C ATOM 102 CG1 VAL A 9 -4.660 5.800 -3.924 1.00 0.00 C ATOM 103 CG2 VAL A 9 -6.891 4.756 -3.687 1.00 0.00 C ATOM 0 H VAL A 9 -3.261 4.661 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.305 2.645 -5.102 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.076 3.843 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.878 6.342 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.589 5.608 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.973 6.398 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.017 5.303 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.290 5.348 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.427 3.809 -3.628 1.00 0.00 H new ATOM 113 N PRO A 10 -6.549 3.268 -7.174 1.00 0.00 N ATOM 114 CA PRO A 10 -7.445 3.619 -8.267 1.00 0.00 C ATOM 115 C PRO A 10 -8.827 3.932 -7.725 1.00 0.00 C ATOM 116 O PRO A 10 -9.586 4.705 -8.310 1.00 0.00 O ATOM 117 CB PRO A 10 -7.471 2.350 -9.115 1.00 0.00 C ATOM 118 CG PRO A 10 -7.277 1.249 -8.132 1.00 0.00 C ATOM 119 CD PRO A 10 -6.376 1.804 -7.056 1.00 0.00 C ATOM 0 HA PRO A 10 -7.128 4.498 -8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.416 2.246 -9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.681 2.357 -9.866 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.231 0.927 -7.714 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.826 0.377 -8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.664 1.445 -6.068 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.338 1.510 -7.212 1.00 0.00 H new ATOM 127 N GLY A 11 -9.132 3.319 -6.586 1.00 0.00 N ATOM 128 CA GLY A 11 -10.405 3.529 -5.947 1.00 0.00 C ATOM 129 C GLY A 11 -10.411 3.119 -4.481 1.00 0.00 C ATOM 130 O GLY A 11 -11.460 3.171 -3.840 1.00 0.00 O ATOM 0 H GLY A 11 -8.510 2.676 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.675 4.582 -6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.170 2.964 -6.479 1.00 0.00 H new ATOM 134 N CYS A 12 -9.257 2.706 -3.931 1.00 0.00 N ATOM 135 CA CYS A 12 -9.232 2.303 -2.527 1.00 0.00 C ATOM 136 C CYS A 12 -9.272 3.513 -1.583 1.00 0.00 C ATOM 137 O CYS A 12 -8.427 4.401 -1.629 1.00 0.00 O ATOM 138 CB CYS A 12 -8.073 1.330 -2.164 1.00 0.00 C ATOM 139 SG CYS A 12 -6.400 1.727 -2.761 1.00 0.00 S ATOM 0 H CYS A 12 -8.364 2.645 -4.420 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.148 1.730 -2.380 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.030 1.254 -1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.336 0.342 -2.542 1.00 0.00 H new ATOM 144 N TYR A 13 -10.302 3.506 -0.740 1.00 0.00 N ATOM 145 CA TYR A 13 -10.604 4.533 0.257 1.00 0.00 C ATOM 146 C TYR A 13 -9.671 5.752 0.294 1.00 0.00 C ATOM 147 O TYR A 13 -10.122 6.887 0.138 1.00 0.00 O ATOM 148 CB TYR A 13 -10.652 3.877 1.640 1.00 0.00 C ATOM 149 CG TYR A 13 -11.730 4.429 2.561 1.00 0.00 C ATOM 150 CD1 TYR A 13 -12.920 4.949 2.058 1.00 0.00 C ATOM 151 CD2 TYR A 13 -11.556 4.425 3.941 1.00 0.00 C ATOM 152 CE1 TYR A 13 -13.896 5.445 2.900 1.00 0.00 C ATOM 153 CE2 TYR A 13 -12.529 4.918 4.787 1.00 0.00 C ATOM 154 CZ TYR A 13 -13.696 5.428 4.264 1.00 0.00 C ATOM 155 OH TYR A 13 -14.667 5.920 5.106 1.00 0.00 O ATOM 0 H TYR A 13 -10.983 2.747 -0.733 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.566 4.947 -0.045 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -10.811 2.806 1.515 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.682 4.001 2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.083 4.965 0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -10.642 4.029 4.359 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.812 5.845 2.491 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.375 4.904 5.856 1.00 0.00 H new ATOM 0 HH TYR A 13 -14.369 5.833 6.035 1.00 0.00 H new ATOM 165 N ASN A 14 -8.410 5.525 0.583 1.00 0.00 N ATOM 166 CA ASN A 14 -7.430 6.606 0.746 1.00 0.00 C ATOM 167 C ASN A 14 -6.216 6.477 -0.190 1.00 0.00 C ATOM 168 O ASN A 14 -5.933 5.393 -0.677 1.00 0.00 O ATOM 169 CB ASN A 14 -6.950 6.693 2.180 1.00 0.00 C ATOM 170 CG ASN A 14 -7.442 5.549 3.040 1.00 0.00 C ATOM 171 OD1 ASN A 14 -6.664 4.702 3.480 1.00 0.00 O ATOM 172 ND2 ASN A 14 -8.746 5.524 3.280 1.00 0.00 N ATOM 0 H ASN A 14 -8.022 4.591 0.714 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.956 7.521 0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.860 6.706 2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.285 7.636 2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.145 4.780 3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.350 6.249 2.893 1.00 0.00 H new ATOM 179 N ASN A 15 -5.494 7.574 -0.471 1.00 0.00 N ATOM 180 CA ASN A 15 -4.333 7.475 -1.346 1.00 0.00 C ATOM 181 C ASN A 15 -3.049 7.638 -0.491 1.00 0.00 C ATOM 182 O ASN A 15 -3.143 8.101 0.645 1.00 0.00 O ATOM 183 CB ASN A 15 -4.394 8.556 -2.434 1.00 0.00 C ATOM 184 CG ASN A 15 -3.200 8.525 -3.370 1.00 0.00 C ATOM 185 OD1 ASN A 15 -2.074 8.809 -2.963 1.00 0.00 O ATOM 186 ND2 ASN A 15 -3.442 8.198 -4.636 1.00 0.00 N ATOM 0 H ASN A 15 -5.691 8.509 -0.114 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.323 6.502 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.307 8.427 -3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.452 9.536 -1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.678 8.176 -5.312 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.391 7.969 -4.931 1.00 0.00 H new ATOM 193 N SER A 16 -1.859 7.222 -0.989 1.00 0.00 N ATOM 194 CA SER A 16 -0.648 7.310 -0.200 1.00 0.00 C ATOM 195 C SER A 16 -0.080 8.752 -0.176 1.00 0.00 C ATOM 196 O SER A 16 0.826 9.031 0.607 1.00 0.00 O ATOM 197 CB SER A 16 0.402 6.273 -0.715 1.00 0.00 C ATOM 198 OG SER A 16 1.682 6.530 -0.171 1.00 0.00 O ATOM 0 H SER A 16 -1.732 6.830 -1.922 1.00 0.00 H new ATOM 0 HA SER A 16 -0.891 7.062 0.833 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.085 5.266 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.452 6.311 -1.803 1.00 0.00 H new ATOM 0 HG SER A 16 1.675 7.396 0.287 1.00 0.00 H new ATOM 204 N HIS A 17 -0.606 9.676 -1.023 1.00 0.00 N ATOM 205 CA HIS A 17 -0.105 11.065 -1.044 1.00 0.00 C ATOM 206 C HIS A 17 -1.190 12.109 -1.372 1.00 0.00 C ATOM 207 O HIS A 17 -0.879 13.296 -1.482 1.00 0.00 O ATOM 208 CB HIS A 17 1.037 11.218 -2.069 1.00 0.00 C ATOM 209 CG HIS A 17 0.616 11.840 -3.369 1.00 0.00 C ATOM 210 ND1 HIS A 17 0.018 11.130 -4.387 1.00 0.00 N ATOM 211 CD2 HIS A 17 0.705 13.119 -3.806 1.00 0.00 C ATOM 212 CE1 HIS A 17 -0.240 11.944 -5.396 1.00 0.00 C ATOM 213 NE2 HIS A 17 0.166 13.158 -5.068 1.00 0.00 N ATOM 0 H HIS A 17 -1.359 9.485 -1.684 1.00 0.00 H new ATOM 0 HA HIS A 17 0.250 11.257 -0.032 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.828 11.825 -1.628 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.464 10.235 -2.270 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.123 13.954 -3.262 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.704 11.664 -6.330 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.091 13.988 -5.656 1.00 0.00 H new ATOM 222 N ARG A 18 -2.434 11.689 -1.568 1.00 0.00 N ATOM 223 CA ARG A 18 -3.496 12.637 -1.926 1.00 0.00 C ATOM 224 C ARG A 18 -4.455 12.918 -0.771 1.00 0.00 C ATOM 225 O ARG A 18 -5.549 13.439 -0.988 1.00 0.00 O ATOM 226 CB ARG A 18 -4.283 12.099 -3.122 1.00 0.00 C ATOM 227 CG ARG A 18 -5.234 13.109 -3.750 1.00 0.00 C ATOM 228 CD ARG A 18 -6.618 12.511 -3.967 1.00 0.00 C ATOM 229 NE ARG A 18 -7.105 12.728 -5.329 1.00 0.00 N ATOM 230 CZ ARG A 18 -8.054 11.988 -5.904 1.00 0.00 C ATOM 231 NH1 ARG A 18 -8.614 10.981 -5.245 1.00 0.00 N ATOM 232 NH2 ARG A 18 -8.444 12.256 -7.144 1.00 0.00 N ATOM 0 H ARG A 18 -2.735 10.718 -1.488 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.011 13.580 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.580 11.758 -3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.855 11.228 -2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.312 13.986 -3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.829 13.448 -4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.586 11.441 -3.760 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.318 12.952 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.695 13.489 -5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.319 10.769 -4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.339 10.420 -5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.018 13.028 -7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.170 11.690 -7.584 1.00 0.00 H new ATOM 246 N ASP A 19 -4.050 12.579 0.448 1.00 0.00 N ATOM 247 CA ASP A 19 -4.902 12.802 1.621 1.00 0.00 C ATOM 248 C ASP A 19 -4.124 12.712 2.929 1.00 0.00 C ATOM 249 O ASP A 19 -3.949 13.711 3.626 1.00 0.00 O ATOM 250 CB ASP A 19 -6.079 11.819 1.644 1.00 0.00 C ATOM 251 CG ASP A 19 -6.784 11.669 0.305 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.703 12.466 0.027 1.00 0.00 O ATOM 253 OD2 ASP A 19 -6.421 10.750 -0.461 1.00 0.00 O ATOM 0 H ASP A 19 -3.147 12.152 0.654 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.288 13.818 1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.717 10.842 1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.802 12.151 2.389 1.00 0.00 H new ATOM 258 N LYS A 20 -3.679 11.514 3.263 1.00 0.00 N ATOM 259 CA LYS A 20 -2.934 11.276 4.495 1.00 0.00 C ATOM 260 C LYS A 20 -3.800 11.506 5.738 1.00 0.00 C ATOM 261 O LYS A 20 -3.283 11.573 6.854 1.00 0.00 O ATOM 262 CB LYS A 20 -1.674 12.162 4.532 1.00 0.00 C ATOM 263 CG LYS A 20 -1.777 13.391 5.429 1.00 0.00 C ATOM 264 CD LYS A 20 -0.844 14.501 4.962 1.00 0.00 C ATOM 265 CE LYS A 20 -1.195 14.987 3.561 1.00 0.00 C ATOM 266 NZ LYS A 20 -1.751 16.369 3.571 1.00 0.00 N ATOM 0 H LYS A 20 -3.821 10.680 2.694 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.630 10.229 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.832 11.556 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.448 12.489 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.804 13.755 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.532 13.116 6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.896 15.337 5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.184 14.140 4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.304 14.960 2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.921 14.308 3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.976 16.660 2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.616 16.391 4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.050 17.022 3.974 1.00 0.00 H new ATOM 280 N ALA A 21 -5.118 11.618 5.551 1.00 0.00 N ATOM 281 CA ALA A 21 -6.024 11.825 6.679 1.00 0.00 C ATOM 282 C ALA A 21 -6.919 10.605 6.962 1.00 0.00 C ATOM 283 O ALA A 21 -7.936 10.734 7.642 1.00 0.00 O ATOM 284 CB ALA A 21 -6.888 13.049 6.421 1.00 0.00 C ATOM 0 H ALA A 21 -5.575 11.569 4.640 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.405 11.976 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.563 13.202 7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.251 13.926 6.303 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.470 12.898 5.512 1.00 0.00 H new ATOM 290 N LEU A 22 -6.559 9.423 6.437 1.00 0.00 N ATOM 291 CA LEU A 22 -7.375 8.216 6.654 1.00 0.00 C ATOM 292 C LEU A 22 -6.551 7.109 7.416 1.00 0.00 C ATOM 293 O LEU A 22 -6.087 7.421 8.515 1.00 0.00 O ATOM 294 CB LEU A 22 -8.071 7.820 5.312 1.00 0.00 C ATOM 295 CG LEU A 22 -8.976 8.910 4.721 1.00 0.00 C ATOM 296 CD1 LEU A 22 -10.105 9.266 5.677 1.00 0.00 C ATOM 297 CD2 LEU A 22 -8.186 10.143 4.372 1.00 0.00 C ATOM 0 H LEU A 22 -5.724 9.277 5.869 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.203 8.395 7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.304 7.566 4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.665 6.921 5.477 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.412 8.509 3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.729 10.040 5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.710 8.380 5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.686 9.633 6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.854 10.897 3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.710 10.536 5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.422 9.890 3.637 1.00 0.00 H new ATOM 309 N HIS A 23 -6.345 5.845 6.939 1.00 0.00 N ATOM 310 CA HIS A 23 -5.584 4.874 7.724 1.00 0.00 C ATOM 311 C HIS A 23 -4.428 4.287 6.884 1.00 0.00 C ATOM 312 O HIS A 23 -4.613 4.054 5.690 1.00 0.00 O ATOM 313 CB HIS A 23 -6.519 3.744 8.167 1.00 0.00 C ATOM 314 CG HIS A 23 -6.380 3.370 9.612 1.00 0.00 C ATOM 315 ND1 HIS A 23 -7.412 3.476 10.521 1.00 0.00 N ATOM 316 CD2 HIS A 23 -5.324 2.877 10.303 1.00 0.00 C ATOM 317 CE1 HIS A 23 -6.997 3.065 11.705 1.00 0.00 C ATOM 318 NE2 HIS A 23 -5.735 2.696 11.601 1.00 0.00 N ATOM 0 H HIS A 23 -6.690 5.500 6.043 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.163 5.374 8.596 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.550 4.043 7.977 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.325 2.864 7.554 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.342 2.666 9.907 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.591 3.036 12.607 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.158 2.335 12.361 1.00 0.00 H new ATOM 327 N PHE A 24 -3.238 4.039 7.474 1.00 0.00 N ATOM 328 CA PHE A 24 -2.136 3.485 6.695 1.00 0.00 C ATOM 329 C PHE A 24 -1.490 2.243 7.374 1.00 0.00 C ATOM 330 O PHE A 24 -1.024 2.352 8.507 1.00 0.00 O ATOM 331 CB PHE A 24 -1.068 4.558 6.469 1.00 0.00 C ATOM 332 CG PHE A 24 -1.565 5.742 5.679 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.262 6.768 6.300 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.337 5.830 4.311 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.719 7.851 5.571 1.00 0.00 C ATOM 336 CE2 PHE A 24 -1.792 6.905 3.586 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.481 7.914 4.210 1.00 0.00 C ATOM 0 H PHE A 24 -3.030 4.211 8.458 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.550 3.158 5.741 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.701 4.904 7.435 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.221 4.113 5.947 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.450 6.721 7.363 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.794 5.042 3.810 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.260 8.645 6.063 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.607 6.956 2.523 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.838 8.758 3.638 1.00 0.00 H new ATOM 347 N TYR A 25 -1.413 1.074 6.686 1.00 0.00 N ATOM 348 CA TYR A 25 -0.770 -0.111 7.266 1.00 0.00 C ATOM 349 C TYR A 25 0.746 -0.029 7.003 1.00 0.00 C ATOM 350 O TYR A 25 1.158 0.676 6.088 1.00 0.00 O ATOM 351 CB TYR A 25 -1.338 -1.407 6.676 1.00 0.00 C ATOM 352 CG TYR A 25 -2.799 -1.636 6.998 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.774 -0.739 6.579 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.200 -2.754 7.717 1.00 0.00 C ATOM 355 CE1 TYR A 25 -5.109 -0.951 6.871 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.533 -2.972 8.014 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.483 -2.067 7.588 1.00 0.00 C ATOM 358 OH TYR A 25 -6.810 -2.281 7.879 1.00 0.00 O ATOM 0 H TYR A 25 -1.784 0.938 5.746 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.968 -0.128 8.338 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.213 -1.388 5.593 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.757 -2.250 7.049 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.485 0.137 6.017 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.459 -3.465 8.050 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.855 -0.245 6.539 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.828 -3.846 8.576 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.903 -3.113 8.389 1.00 0.00 H new ATOM 368 N THR A 26 1.589 -0.702 7.806 1.00 0.00 N ATOM 369 CA THR A 26 3.040 -0.598 7.616 1.00 0.00 C ATOM 370 C THR A 26 3.638 -1.847 6.952 1.00 0.00 C ATOM 371 O THR A 26 2.930 -2.814 6.668 1.00 0.00 O ATOM 372 CB THR A 26 3.749 -0.304 8.949 1.00 0.00 C ATOM 373 OG1 THR A 26 4.531 -1.411 9.364 1.00 0.00 O ATOM 374 CG2 THR A 26 2.801 0.032 10.083 1.00 0.00 C ATOM 0 H THR A 26 1.298 -1.308 8.573 1.00 0.00 H new ATOM 0 HA THR A 26 3.207 0.238 6.936 1.00 0.00 H new ATOM 0 HB THR A 26 4.370 0.568 8.746 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.973 -1.199 10.213 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.373 0.227 10.990 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.221 0.917 9.822 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.126 -0.807 10.253 1.00 0.00 H new ATOM 382 N PHE A 27 4.938 -1.769 6.618 1.00 0.00 N ATOM 383 CA PHE A 27 5.627 -2.827 5.889 1.00 0.00 C ATOM 384 C PHE A 27 6.252 -3.957 6.753 1.00 0.00 C ATOM 385 O PHE A 27 7.009 -3.667 7.680 1.00 0.00 O ATOM 386 CB PHE A 27 6.749 -2.158 5.101 1.00 0.00 C ATOM 387 CG PHE A 27 6.681 -2.316 3.608 1.00 0.00 C ATOM 388 CD1 PHE A 27 5.539 -2.798 3.006 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.758 -1.960 2.807 1.00 0.00 C ATOM 390 CE1 PHE A 27 5.462 -2.933 1.643 1.00 0.00 C ATOM 391 CE2 PHE A 27 7.690 -2.098 1.437 1.00 0.00 C ATOM 392 CZ PHE A 27 6.536 -2.587 0.852 1.00 0.00 C ATOM 0 H PHE A 27 5.531 -0.971 6.848 1.00 0.00 H new ATOM 0 HA PHE A 27 4.873 -3.322 5.277 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.748 -1.094 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.701 -2.560 5.447 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.692 -3.074 3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.657 -1.571 3.262 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.558 -3.311 1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.535 -1.825 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.477 -2.697 -0.221 1.00 0.00 H new ATOM 402 N PRO A 28 5.966 -5.267 6.455 1.00 0.00 N ATOM 403 CA PRO A 28 6.534 -6.412 7.205 1.00 0.00 C ATOM 404 C PRO A 28 8.037 -6.248 7.497 1.00 0.00 C ATOM 405 O PRO A 28 8.665 -5.301 7.018 1.00 0.00 O ATOM 406 CB PRO A 28 6.319 -7.552 6.189 1.00 0.00 C ATOM 407 CG PRO A 28 4.983 -7.237 5.667 1.00 0.00 C ATOM 408 CD PRO A 28 5.024 -5.758 5.411 1.00 0.00 C ATOM 0 HA PRO A 28 6.078 -6.553 8.185 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.076 -7.550 5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.353 -8.534 6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.771 -7.793 4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.204 -7.495 6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.380 -5.531 4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.038 -5.303 5.510 1.00 0.00 H new ATOM 416 N LYS A 29 8.615 -7.168 8.283 1.00 0.00 N ATOM 417 CA LYS A 29 10.038 -7.095 8.626 1.00 0.00 C ATOM 418 C LYS A 29 10.901 -7.676 7.513 1.00 0.00 C ATOM 419 O LYS A 29 12.068 -7.313 7.362 1.00 0.00 O ATOM 420 CB LYS A 29 10.332 -7.836 9.938 1.00 0.00 C ATOM 421 CG LYS A 29 9.323 -8.919 10.294 1.00 0.00 C ATOM 422 CD LYS A 29 9.902 -9.917 11.284 1.00 0.00 C ATOM 423 CE LYS A 29 10.755 -10.966 10.587 1.00 0.00 C ATOM 424 NZ LYS A 29 10.429 -12.343 11.048 1.00 0.00 N ATOM 0 H LYS A 29 8.122 -7.964 8.689 1.00 0.00 H new ATOM 0 HA LYS A 29 10.284 -6.041 8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.322 -8.288 9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.368 -7.110 10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.430 -8.460 10.719 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.013 -9.441 9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.505 -9.389 12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.092 -10.406 11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.604 -10.899 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.809 -10.760 10.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.032 -13.028 10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.597 -12.415 12.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.430 -12.549 10.846 1.00 0.00 H new ATOM 438 N ASP A 30 10.317 -8.576 6.740 1.00 0.00 N ATOM 439 CA ASP A 30 11.027 -9.213 5.633 1.00 0.00 C ATOM 440 C ASP A 30 10.998 -8.290 4.409 1.00 0.00 C ATOM 441 O ASP A 30 9.930 -8.004 3.871 1.00 0.00 O ATOM 442 CB ASP A 30 10.374 -10.571 5.289 1.00 0.00 C ATOM 443 CG ASP A 30 9.237 -10.948 6.224 1.00 0.00 C ATOM 444 OD1 ASP A 30 8.244 -10.192 6.285 1.00 0.00 O ATOM 445 OD2 ASP A 30 9.340 -11.997 6.893 1.00 0.00 O ATOM 0 H ASP A 30 9.352 -8.885 6.855 1.00 0.00 H new ATOM 0 HA ASP A 30 12.062 -9.391 5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.997 -10.536 4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.135 -11.350 5.322 1.00 0.00 H new ATOM 450 N ALA A 31 12.170 -7.798 3.988 1.00 0.00 N ATOM 451 CA ALA A 31 12.252 -6.885 2.859 1.00 0.00 C ATOM 452 C ALA A 31 11.417 -7.347 1.630 1.00 0.00 C ATOM 453 O ALA A 31 10.504 -6.642 1.198 1.00 0.00 O ATOM 454 CB ALA A 31 13.723 -6.618 2.513 1.00 0.00 C ATOM 0 H ALA A 31 13.068 -8.021 4.416 1.00 0.00 H new ATOM 0 HA ALA A 31 11.793 -5.943 3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.779 -5.934 1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.224 -6.174 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.212 -7.557 2.253 1.00 0.00 H new ATOM 460 N GLU A 32 11.700 -8.510 1.054 1.00 0.00 N ATOM 461 CA GLU A 32 10.942 -8.957 -0.124 1.00 0.00 C ATOM 462 C GLU A 32 9.453 -8.995 0.089 1.00 0.00 C ATOM 463 O GLU A 32 8.746 -8.300 -0.638 1.00 0.00 O ATOM 464 CB GLU A 32 11.474 -10.300 -0.643 1.00 0.00 C ATOM 465 CG GLU A 32 10.696 -10.868 -1.820 1.00 0.00 C ATOM 466 CD GLU A 32 9.737 -11.968 -1.407 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.323 -11.982 -0.229 1.00 0.00 O ATOM 468 OE2 GLU A 32 9.401 -12.814 -2.262 1.00 0.00 O ATOM 0 H GLU A 32 12.428 -9.151 1.368 1.00 0.00 H new ATOM 0 HA GLU A 32 11.104 -8.200 -0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.516 -10.176 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.457 -11.024 0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.137 -10.066 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.396 -11.259 -2.559 1.00 0.00 H new ATOM 475 N LEU A 33 8.929 -9.762 1.046 1.00 0.00 N ATOM 476 CA LEU A 33 7.497 -9.763 1.209 1.00 0.00 C ATOM 477 C LEU A 33 6.952 -8.362 0.997 1.00 0.00 C ATOM 478 O LEU A 33 5.937 -8.154 0.337 1.00 0.00 O ATOM 479 CB LEU A 33 7.097 -10.228 2.619 1.00 0.00 C ATOM 480 CG LEU A 33 5.619 -10.581 2.808 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.862 -10.595 1.490 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.484 -11.917 3.489 1.00 0.00 C ATOM 0 H LEU A 33 9.454 -10.359 1.685 1.00 0.00 H new ATOM 0 HA LEU A 33 7.082 -10.451 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.696 -11.101 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.357 -9.442 3.328 1.00 0.00 H new ATOM 0 HG LEU A 33 5.179 -9.805 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.818 -10.850 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.919 -9.610 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.305 -11.335 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.428 -12.155 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.958 -12.686 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.968 -11.879 4.465 1.00 0.00 H new ATOM 494 N ARG A 34 7.681 -7.391 1.509 1.00 0.00 N ATOM 495 CA ARG A 34 7.236 -6.010 1.388 1.00 0.00 C ATOM 496 C ARG A 34 7.389 -5.519 -0.004 1.00 0.00 C ATOM 497 O ARG A 34 6.452 -4.950 -0.571 1.00 0.00 O ATOM 498 CB ARG A 34 7.907 -5.054 2.385 1.00 0.00 C ATOM 499 CG ARG A 34 9.254 -5.480 2.911 1.00 0.00 C ATOM 500 CD ARG A 34 10.232 -4.308 2.927 1.00 0.00 C ATOM 501 NE ARG A 34 10.737 -4.019 4.268 1.00 0.00 N ATOM 502 CZ ARG A 34 11.345 -2.880 4.596 1.00 0.00 C ATOM 503 NH1 ARG A 34 11.525 -1.931 3.686 1.00 0.00 N ATOM 504 NH2 ARG A 34 11.776 -2.690 5.836 1.00 0.00 N ATOM 0 H ARG A 34 8.564 -7.522 2.002 1.00 0.00 H new ATOM 0 HA ARG A 34 6.177 -6.016 1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.018 -4.081 1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.236 -4.916 3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.145 -5.880 3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.653 -6.283 2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.070 -4.529 2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.738 -3.421 2.529 1.00 0.00 H new ATOM 0 HE ARG A 34 10.617 -4.728 4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.197 -2.072 2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.991 -1.061 3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.642 -3.416 6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.241 -1.818 6.086 1.00 0.00 H new ATOM 518 N ARG A 35 8.534 -5.771 -0.590 1.00 0.00 N ATOM 519 CA ARG A 35 8.721 -5.356 -1.941 1.00 0.00 C ATOM 520 C ARG A 35 7.569 -5.897 -2.758 1.00 0.00 C ATOM 521 O ARG A 35 7.053 -5.197 -3.626 1.00 0.00 O ATOM 522 CB ARG A 35 10.112 -5.742 -2.507 1.00 0.00 C ATOM 523 CG ARG A 35 10.257 -7.158 -3.059 1.00 0.00 C ATOM 524 CD ARG A 35 9.445 -7.365 -4.328 1.00 0.00 C ATOM 525 NE ARG A 35 10.133 -8.240 -5.275 1.00 0.00 N ATOM 526 CZ ARG A 35 9.515 -8.940 -6.225 1.00 0.00 C ATOM 527 NH1 ARG A 35 8.198 -8.859 -6.370 1.00 0.00 N ATOM 528 NH2 ARG A 35 10.219 -9.723 -7.032 1.00 0.00 N ATOM 0 H ARG A 35 9.326 -6.249 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 35 8.716 -4.267 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.363 -5.039 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.851 -5.607 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.308 -7.360 -3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.937 -7.875 -2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.476 -7.795 -4.074 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.252 -6.401 -4.798 1.00 0.00 H new ATOM 0 HE ARG A 35 11.147 -8.319 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.653 -8.258 -5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.731 -9.398 -7.100 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.231 -9.788 -6.924 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.748 -10.260 -7.760 1.00 0.00 H new ATOM 542 N LEU A 36 7.060 -7.097 -2.415 1.00 0.00 N ATOM 543 CA LEU A 36 5.906 -7.592 -3.167 1.00 0.00 C ATOM 544 C LEU A 36 4.766 -6.629 -3.005 1.00 0.00 C ATOM 545 O LEU A 36 4.160 -6.189 -3.989 1.00 0.00 O ATOM 546 CB LEU A 36 5.516 -9.037 -2.793 1.00 0.00 C ATOM 547 CG LEU A 36 6.587 -10.088 -3.095 1.00 0.00 C ATOM 548 CD1 LEU A 36 6.826 -10.975 -1.884 1.00 0.00 C ATOM 549 CD2 LEU A 36 6.188 -10.926 -4.302 1.00 0.00 C ATOM 0 H LEU A 36 7.406 -7.703 -1.671 1.00 0.00 H new ATOM 0 HA LEU A 36 6.179 -7.645 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.282 -9.072 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.605 -9.303 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 36 7.518 -9.571 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.591 -11.715 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.159 -10.364 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.900 -11.483 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.961 -11.668 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.244 -11.432 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.072 -10.279 -5.172 1.00 0.00 H new ATOM 561 N TRP A 37 4.535 -6.219 -1.781 1.00 0.00 N ATOM 562 CA TRP A 37 3.510 -5.261 -1.522 1.00 0.00 C ATOM 563 C TRP A 37 3.750 -4.018 -2.356 1.00 0.00 C ATOM 564 O TRP A 37 2.813 -3.519 -3.013 1.00 0.00 O ATOM 565 CB TRP A 37 3.504 -4.912 -0.047 1.00 0.00 C ATOM 566 CG TRP A 37 2.812 -5.937 0.764 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.771 -7.272 0.516 1.00 0.00 C ATOM 568 CD2 TRP A 37 2.066 -5.707 1.949 1.00 0.00 C ATOM 569 NE1 TRP A 37 2.013 -7.896 1.488 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.573 -6.946 2.383 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.769 -4.562 2.679 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.787 -7.065 3.531 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.999 -4.675 3.808 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.513 -5.915 4.231 1.00 0.00 C ATOM 0 H TRP A 37 5.046 -6.538 -0.957 1.00 0.00 H new ATOM 0 HA TRP A 37 2.541 -5.682 -1.790 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.530 -4.805 0.304 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.016 -3.948 0.095 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.255 -7.768 -0.312 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.812 -8.895 1.535 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.139 -3.598 2.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.409 -8.023 3.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.764 -3.790 4.380 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.090 -5.970 5.125 1.00 0.00 H new ATOM 585 N LEU A 38 5.029 -3.548 -2.382 1.00 0.00 N ATOM 586 CA LEU A 38 5.372 -2.375 -3.145 1.00 0.00 C ATOM 587 C LEU A 38 4.557 -2.376 -4.440 1.00 0.00 C ATOM 588 O LEU A 38 3.837 -1.416 -4.747 1.00 0.00 O ATOM 589 CB LEU A 38 6.884 -2.336 -3.438 1.00 0.00 C ATOM 590 CG LEU A 38 7.759 -2.029 -2.224 1.00 0.00 C ATOM 591 CD1 LEU A 38 9.218 -1.893 -2.634 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.277 -0.766 -1.529 1.00 0.00 C ATOM 0 H LEU A 38 5.809 -3.975 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 38 5.133 -1.480 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.185 -3.298 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.073 -1.585 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 38 7.679 -2.860 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.824 -1.674 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.557 -2.825 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.319 -1.082 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.911 -0.561 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.327 0.073 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.247 -0.903 -1.198 1.00 0.00 H new ATOM 604 N LYS A 39 4.622 -3.500 -5.178 1.00 0.00 N ATOM 605 CA LYS A 39 3.921 -3.630 -6.418 1.00 0.00 C ATOM 606 C LYS A 39 2.480 -3.116 -6.396 1.00 0.00 C ATOM 607 O LYS A 39 2.153 -2.132 -7.075 1.00 0.00 O ATOM 608 CB LYS A 39 3.992 -5.108 -6.855 1.00 0.00 C ATOM 609 CG LYS A 39 5.099 -5.426 -7.859 1.00 0.00 C ATOM 610 CD LYS A 39 6.336 -4.554 -7.668 1.00 0.00 C ATOM 611 CE LYS A 39 6.452 -3.506 -8.765 1.00 0.00 C ATOM 612 NZ LYS A 39 6.390 -4.114 -10.122 1.00 0.00 N ATOM 0 H LYS A 39 5.164 -4.323 -4.913 1.00 0.00 H new ATOM 0 HA LYS A 39 4.414 -2.984 -7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.135 -5.728 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.033 -5.390 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.381 -6.475 -7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.716 -5.290 -8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.290 -4.062 -6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.228 -5.181 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.649 -2.777 -8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.391 -2.965 -8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.001 -3.578 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.716 -5.101 -10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.410 -4.089 -10.469 1.00 0.00 H new ATOM 626 N ASN A 40 1.621 -3.765 -5.633 1.00 0.00 N ATOM 627 CA ASN A 40 0.210 -3.387 -5.623 1.00 0.00 C ATOM 628 C ASN A 40 -0.044 -2.006 -5.056 1.00 0.00 C ATOM 629 O ASN A 40 -1.041 -1.366 -5.395 1.00 0.00 O ATOM 630 CB ASN A 40 -0.616 -4.452 -4.899 1.00 0.00 C ATOM 631 CG ASN A 40 -1.475 -5.261 -5.848 1.00 0.00 C ATOM 632 OD1 ASN A 40 -2.603 -4.886 -6.168 1.00 0.00 O ATOM 633 ND2 ASN A 40 -0.928 -6.392 -6.299 1.00 0.00 N ATOM 0 H ASN A 40 1.863 -4.544 -5.020 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.110 -3.334 -6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.053 -5.122 -4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.253 -3.971 -4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.449 -6.990 -6.940 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.011 -6.658 -6.003 1.00 0.00 H new ATOM 640 N VAL A 41 0.829 -1.553 -4.190 1.00 0.00 N ATOM 641 CA VAL A 41 0.656 -0.249 -3.580 1.00 0.00 C ATOM 642 C VAL A 41 1.085 0.929 -4.434 1.00 0.00 C ATOM 643 O VAL A 41 0.649 2.038 -4.160 1.00 0.00 O ATOM 644 CB VAL A 41 1.301 -0.109 -2.191 1.00 0.00 C ATOM 645 CG1 VAL A 41 2.575 0.730 -2.240 1.00 0.00 C ATOM 646 CG2 VAL A 41 0.297 0.542 -1.259 1.00 0.00 C ATOM 0 H VAL A 41 1.662 -2.060 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.428 -0.207 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 41 1.577 -1.101 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.000 0.805 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.297 0.257 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.339 1.728 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.737 0.650 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.027 1.525 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.596 -0.080 -1.194 1.00 0.00 H new ATOM 656 N SER A 42 1.977 0.736 -5.414 1.00 0.00 N ATOM 657 CA SER A 42 2.466 1.883 -6.198 1.00 0.00 C ATOM 658 C SER A 42 3.919 1.599 -6.687 1.00 0.00 C ATOM 659 O SER A 42 4.075 0.927 -7.708 1.00 0.00 O ATOM 660 CB SER A 42 2.351 3.227 -5.379 1.00 0.00 C ATOM 661 OG SER A 42 3.475 4.050 -5.593 1.00 0.00 O ATOM 0 H SER A 42 2.365 -0.169 -5.679 1.00 0.00 H new ATOM 0 HA SER A 42 1.837 2.013 -7.079 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.446 3.759 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.258 3.002 -4.316 1.00 0.00 H new ATOM 0 HG SER A 42 3.221 4.810 -6.158 1.00 0.00 H new ATOM 667 N ARG A 43 4.992 2.057 -5.983 1.00 0.00 N ATOM 668 CA ARG A 43 6.357 1.756 -6.428 1.00 0.00 C ATOM 669 C ARG A 43 6.621 2.224 -7.861 1.00 0.00 C ATOM 670 O ARG A 43 7.122 1.463 -8.689 1.00 0.00 O ATOM 671 CB ARG A 43 6.619 0.250 -6.321 1.00 0.00 C ATOM 672 CG ARG A 43 8.047 -0.157 -6.658 1.00 0.00 C ATOM 673 CD ARG A 43 8.337 -1.587 -6.223 1.00 0.00 C ATOM 674 NE ARG A 43 9.093 -2.327 -7.230 1.00 0.00 N ATOM 675 CZ ARG A 43 9.739 -3.464 -6.985 1.00 0.00 C ATOM 676 NH1 ARG A 43 9.740 -3.987 -5.765 1.00 0.00 N ATOM 677 NH2 ARG A 43 10.388 -4.083 -7.963 1.00 0.00 N ATOM 0 H ARG A 43 4.930 2.618 -5.133 1.00 0.00 H new ATOM 0 HA ARG A 43 7.037 2.303 -5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.389 -0.077 -5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.936 -0.275 -6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.210 -0.062 -7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.745 0.522 -6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.897 -1.574 -5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.397 -2.103 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 43 9.128 -1.950 -8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.243 -3.517 -5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.237 -4.859 -5.584 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.392 -3.687 -8.903 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.883 -4.955 -7.775 1.00 0.00 H new ATOM 691 N ALA A 44 6.300 3.476 -8.149 1.00 0.00 N ATOM 692 CA ALA A 44 6.523 4.034 -9.483 1.00 0.00 C ATOM 693 C ALA A 44 8.020 4.356 -9.709 1.00 0.00 C ATOM 694 O ALA A 44 8.380 5.532 -9.769 1.00 0.00 O ATOM 695 CB ALA A 44 5.673 5.297 -9.655 1.00 0.00 C ATOM 0 H ALA A 44 5.885 4.127 -7.482 1.00 0.00 H new ATOM 0 HA ALA A 44 6.227 3.294 -10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.838 5.714 -10.648 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.619 5.045 -9.538 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.956 6.032 -8.901 1.00 0.00 H new ATOM 701 N GLY A 45 8.905 3.333 -9.829 1.00 0.00 N ATOM 702 CA GLY A 45 10.318 3.623 -10.032 1.00 0.00 C ATOM 703 C GLY A 45 11.230 2.770 -9.154 1.00 0.00 C ATOM 704 O GLY A 45 11.801 3.271 -8.187 1.00 0.00 O ATOM 0 H GLY A 45 8.663 2.343 -9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.571 3.458 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.502 4.677 -9.822 1.00 0.00 H new ATOM 708 N VAL A 46 11.365 1.484 -9.478 1.00 0.00 N ATOM 709 CA VAL A 46 12.206 0.579 -8.700 1.00 0.00 C ATOM 710 C VAL A 46 13.700 0.891 -8.880 1.00 0.00 C ATOM 711 O VAL A 46 14.469 0.024 -9.295 1.00 0.00 O ATOM 712 CB VAL A 46 11.948 -0.888 -9.100 1.00 0.00 C ATOM 713 CG1 VAL A 46 12.274 -1.109 -10.571 1.00 0.00 C ATOM 714 CG2 VAL A 46 12.750 -1.838 -8.221 1.00 0.00 C ATOM 0 H VAL A 46 10.902 1.047 -10.275 1.00 0.00 H new ATOM 0 HA VAL A 46 11.942 0.727 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 46 10.890 -1.100 -8.949 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.085 -2.150 -10.833 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.647 -0.461 -11.184 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.323 -0.874 -10.750 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.552 -2.867 -8.522 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.813 -1.626 -8.332 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.460 -1.702 -7.179 1.00 0.00 H new ATOM 724 N SER A 47 14.115 2.123 -8.571 1.00 0.00 N ATOM 725 CA SER A 47 15.519 2.497 -8.713 1.00 0.00 C ATOM 726 C SER A 47 15.862 3.712 -7.821 1.00 0.00 C ATOM 727 O SER A 47 16.743 3.604 -6.967 1.00 0.00 O ATOM 728 CB SER A 47 15.831 2.820 -10.177 1.00 0.00 C ATOM 729 OG SER A 47 15.512 4.166 -10.484 1.00 0.00 O ATOM 0 H SER A 47 13.507 2.866 -8.226 1.00 0.00 H new ATOM 0 HA SER A 47 16.130 1.653 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.888 2.640 -10.375 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.267 2.152 -10.828 1.00 0.00 H new ATOM 0 HG SER A 47 15.723 4.346 -11.424 1.00 0.00 H new ATOM 735 N GLY A 48 15.178 4.882 -7.999 1.00 0.00 N ATOM 736 CA GLY A 48 15.496 6.028 -7.169 1.00 0.00 C ATOM 737 C GLY A 48 16.204 7.123 -7.940 1.00 0.00 C ATOM 738 O GLY A 48 17.306 6.920 -8.449 1.00 0.00 O ATOM 0 H GLY A 48 14.438 5.030 -8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.578 6.427 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 48 16.125 5.708 -6.338 1.00 0.00 H new ATOM 742 N CYS A 49 15.569 8.286 -8.027 1.00 0.00 N ATOM 743 CA CYS A 49 16.142 9.418 -8.744 1.00 0.00 C ATOM 744 C CYS A 49 15.924 10.718 -7.971 1.00 0.00 C ATOM 745 O CYS A 49 15.432 11.701 -8.521 1.00 0.00 O ATOM 746 CB CYS A 49 15.518 9.530 -10.137 1.00 0.00 C ATOM 747 SG CYS A 49 15.430 7.962 -11.033 1.00 0.00 S ATOM 0 H CYS A 49 14.657 8.470 -7.610 1.00 0.00 H new ATOM 0 HA CYS A 49 17.214 9.251 -8.844 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.512 9.939 -10.041 1.00 0.00 H new ATOM 0 HB3 CYS A 49 16.096 10.241 -10.727 1.00 0.00 H new ATOM 0 HG CYS A 49 14.887 8.158 -12.198 1.00 0.00 H new ATOM 753 N PHE A 50 16.290 10.709 -6.689 1.00 0.00 N ATOM 754 CA PHE A 50 16.132 11.883 -5.835 1.00 0.00 C ATOM 755 C PHE A 50 14.643 12.183 -5.597 1.00 0.00 C ATOM 756 O PHE A 50 14.175 12.104 -4.460 1.00 0.00 O ATOM 757 CB PHE A 50 16.818 13.102 -6.461 1.00 0.00 C ATOM 758 CG PHE A 50 16.711 14.347 -5.628 1.00 0.00 C ATOM 759 CD1 PHE A 50 17.666 14.636 -4.667 1.00 0.00 C ATOM 760 CD2 PHE A 50 15.657 15.228 -5.808 1.00 0.00 C ATOM 761 CE1 PHE A 50 17.573 15.782 -3.901 1.00 0.00 C ATOM 762 CE2 PHE A 50 15.557 16.376 -5.044 1.00 0.00 C ATOM 763 CZ PHE A 50 16.516 16.653 -4.089 1.00 0.00 C ATOM 0 H PHE A 50 16.698 9.900 -6.220 1.00 0.00 H new ATOM 0 HA PHE A 50 16.604 11.670 -4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 50 17.871 12.872 -6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.379 13.292 -7.441 1.00 0.00 H new ATOM 0 HD1 PHE A 50 18.493 13.958 -4.515 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.905 15.016 -6.554 1.00 0.00 H new ATOM 0 HE1 PHE A 50 18.325 15.997 -3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.731 17.055 -5.194 1.00 0.00 H new ATOM 0 HZ PHE A 50 16.440 17.549 -3.490 1.00 0.00 H new ATOM 773 N SER A 51 13.885 12.521 -6.664 1.00 0.00 N ATOM 774 CA SER A 51 12.465 12.810 -6.510 1.00 0.00 C ATOM 775 C SER A 51 11.673 11.514 -6.343 1.00 0.00 C ATOM 776 O SER A 51 12.217 10.501 -5.907 1.00 0.00 O ATOM 777 CB SER A 51 11.955 13.597 -7.721 1.00 0.00 C ATOM 778 OG SER A 51 11.073 14.632 -7.321 1.00 0.00 O ATOM 0 H SER A 51 14.236 12.596 -7.619 1.00 0.00 H new ATOM 0 HA SER A 51 12.325 13.416 -5.615 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.799 14.023 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.442 12.923 -8.407 1.00 0.00 H new ATOM 0 HG SER A 51 10.762 15.121 -8.112 1.00 0.00 H new ATOM 784 N THR A 52 10.386 11.549 -6.687 1.00 0.00 N ATOM 785 CA THR A 52 9.526 10.374 -6.573 1.00 0.00 C ATOM 786 C THR A 52 9.235 10.064 -5.098 1.00 0.00 C ATOM 787 O THR A 52 9.743 10.748 -4.209 1.00 0.00 O ATOM 788 CB THR A 52 10.173 9.159 -7.262 1.00 0.00 C ATOM 789 OG1 THR A 52 10.978 8.431 -6.352 1.00 0.00 O ATOM 790 CG2 THR A 52 11.046 9.525 -8.454 1.00 0.00 C ATOM 0 H THR A 52 9.917 12.380 -7.047 1.00 0.00 H new ATOM 0 HA THR A 52 8.582 10.589 -7.074 1.00 0.00 H new ATOM 0 HB THR A 52 9.335 8.560 -7.619 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.657 9.025 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.468 8.618 -8.888 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.443 10.039 -9.202 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.853 10.180 -8.126 1.00 0.00 H new ATOM 798 N PHE A 53 8.418 9.039 -4.837 1.00 0.00 N ATOM 799 CA PHE A 53 8.073 8.667 -3.470 1.00 0.00 C ATOM 800 C PHE A 53 8.833 7.406 -3.036 1.00 0.00 C ATOM 801 O PHE A 53 8.299 6.576 -2.303 1.00 0.00 O ATOM 802 CB PHE A 53 6.564 8.428 -3.356 1.00 0.00 C ATOM 803 CG PHE A 53 6.017 7.598 -4.474 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.229 6.234 -4.492 1.00 0.00 C ATOM 805 CD2 PHE A 53 5.289 8.177 -5.501 1.00 0.00 C ATOM 806 CE1 PHE A 53 5.725 5.458 -5.511 1.00 0.00 C ATOM 807 CE2 PHE A 53 4.777 7.404 -6.523 1.00 0.00 C ATOM 808 CZ PHE A 53 4.996 6.040 -6.527 1.00 0.00 C ATOM 0 H PHE A 53 7.987 8.456 -5.555 1.00 0.00 H new ATOM 0 HA PHE A 53 8.360 9.487 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.350 7.936 -2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.050 9.389 -3.339 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.796 5.771 -3.698 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.121 9.244 -5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.901 4.392 -5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.207 7.864 -7.317 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.597 5.430 -7.324 1.00 0.00 H new ATOM 818 N GLN A 54 10.082 7.284 -3.504 1.00 0.00 N ATOM 819 CA GLN A 54 10.966 6.141 -3.195 1.00 0.00 C ATOM 820 C GLN A 54 10.425 5.241 -2.067 1.00 0.00 C ATOM 821 O GLN A 54 10.160 5.723 -0.967 1.00 0.00 O ATOM 822 CB GLN A 54 12.351 6.673 -2.806 1.00 0.00 C ATOM 823 CG GLN A 54 13.409 5.596 -2.632 1.00 0.00 C ATOM 824 CD GLN A 54 14.558 6.044 -1.747 1.00 0.00 C ATOM 825 OE1 GLN A 54 14.261 6.311 -0.478 1.00 0.00 O flip ATOM 826 NE2 GLN A 54 15.698 6.151 -2.197 1.00 0.00 N flip ATOM 0 H GLN A 54 10.515 7.978 -4.113 1.00 0.00 H new ATOM 0 HA GLN A 54 11.019 5.522 -4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.686 7.374 -3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.264 7.234 -1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.949 4.706 -2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.798 5.312 -3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.882 5.936 -3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.459 6.455 -1.590 1.00 0.00 H new ATOM 835 N PRO A 55 10.257 3.919 -2.318 1.00 0.00 N ATOM 836 CA PRO A 55 9.747 2.985 -1.303 1.00 0.00 C ATOM 837 C PRO A 55 10.711 2.795 -0.142 1.00 0.00 C ATOM 838 O PRO A 55 10.286 2.556 0.987 1.00 0.00 O ATOM 839 CB PRO A 55 9.560 1.661 -2.053 1.00 0.00 C ATOM 840 CG PRO A 55 9.704 1.985 -3.505 1.00 0.00 C ATOM 841 CD PRO A 55 10.541 3.231 -3.591 1.00 0.00 C ATOM 0 HA PRO A 55 8.827 3.364 -0.857 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.304 0.928 -1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.581 1.230 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.179 1.162 -4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.728 2.142 -3.965 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.601 2.997 -3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.264 3.843 -4.449 1.00 0.00 H new ATOM 849 N THR A 56 12.008 2.906 -0.417 1.00 0.00 N ATOM 850 CA THR A 56 13.022 2.751 0.623 1.00 0.00 C ATOM 851 C THR A 56 12.619 3.545 1.879 1.00 0.00 C ATOM 852 O THR A 56 12.794 3.061 2.998 1.00 0.00 O ATOM 853 CB THR A 56 14.383 3.233 0.116 1.00 0.00 C ATOM 854 OG1 THR A 56 14.399 3.303 -1.298 1.00 0.00 O ATOM 855 CG2 THR A 56 15.529 2.339 0.543 1.00 0.00 C ATOM 0 H THR A 56 12.381 3.102 -1.346 1.00 0.00 H new ATOM 0 HA THR A 56 13.097 1.694 0.880 1.00 0.00 H new ATOM 0 HB THR A 56 14.523 4.219 0.560 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.316 3.459 -1.607 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.466 2.736 0.151 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.577 2.304 1.631 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.370 1.333 0.154 1.00 0.00 H new ATOM 863 N THR A 57 12.068 4.770 1.699 1.00 0.00 N ATOM 864 CA THR A 57 11.651 5.580 2.836 1.00 0.00 C ATOM 865 C THR A 57 10.683 4.812 3.730 1.00 0.00 C ATOM 866 O THR A 57 10.620 5.051 4.937 1.00 0.00 O ATOM 867 CB THR A 57 10.994 6.874 2.346 1.00 0.00 C ATOM 868 OG1 THR A 57 10.704 7.732 3.434 1.00 0.00 O ATOM 869 CG2 THR A 57 9.702 6.641 1.587 1.00 0.00 C ATOM 0 H THR A 57 11.910 5.201 0.788 1.00 0.00 H new ATOM 0 HA THR A 57 12.537 5.825 3.422 1.00 0.00 H new ATOM 0 HB THR A 57 11.718 7.326 1.668 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.286 8.553 3.101 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.289 7.598 1.269 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.901 6.022 0.712 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.986 6.135 2.234 1.00 0.00 H new ATOM 877 N GLY A 58 9.924 3.892 3.135 1.00 0.00 N ATOM 878 CA GLY A 58 8.971 3.116 3.908 1.00 0.00 C ATOM 879 C GLY A 58 7.536 3.228 3.367 1.00 0.00 C ATOM 880 O GLY A 58 6.764 4.028 3.896 1.00 0.00 O ATOM 0 H GLY A 58 9.953 3.673 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.275 2.069 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.991 3.452 4.945 1.00 0.00 H new ATOM 884 N HIS A 59 7.148 2.458 2.326 1.00 0.00 N ATOM 885 CA HIS A 59 5.786 2.568 1.808 1.00 0.00 C ATOM 886 C HIS A 59 4.811 1.778 2.677 1.00 0.00 C ATOM 887 O HIS A 59 5.088 0.661 3.110 1.00 0.00 O ATOM 888 CB HIS A 59 5.696 2.110 0.342 1.00 0.00 C ATOM 889 CG HIS A 59 5.498 3.242 -0.623 1.00 0.00 C ATOM 890 ND1 HIS A 59 4.674 3.388 -1.704 1.00 0.00 N flip ATOM 891 CD2 HIS A 59 6.209 4.418 -0.529 1.00 0.00 C flip ATOM 892 CE1 HIS A 59 4.914 4.638 -2.221 1.00 0.00 C flip ATOM 893 NE2 HIS A 59 5.840 5.236 -1.493 1.00 0.00 N flip ATOM 0 H HIS A 59 7.742 1.780 1.849 1.00 0.00 H new ATOM 0 HA HIS A 59 5.508 3.621 1.842 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.608 1.574 0.080 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.871 1.405 0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.955 4.636 0.221 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.424 5.064 -3.084 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.208 6.174 -1.651 1.00 0.00 H new ATOM 902 N ARG A 60 3.675 2.408 2.927 1.00 0.00 N ATOM 903 CA ARG A 60 2.599 1.863 3.747 1.00 0.00 C ATOM 904 C ARG A 60 1.388 1.583 2.832 1.00 0.00 C ATOM 905 O ARG A 60 1.406 1.983 1.668 1.00 0.00 O ATOM 906 CB ARG A 60 2.253 2.890 4.836 1.00 0.00 C ATOM 907 CG ARG A 60 1.546 4.120 4.296 1.00 0.00 C ATOM 908 CD ARG A 60 1.824 5.342 5.156 1.00 0.00 C ATOM 909 NE ARG A 60 2.637 6.328 4.452 1.00 0.00 N ATOM 910 CZ ARG A 60 3.250 7.347 5.050 1.00 0.00 C ATOM 911 NH1 ARG A 60 3.155 7.506 6.364 1.00 0.00 N ATOM 912 NH2 ARG A 60 3.964 8.204 4.334 1.00 0.00 N ATOM 0 H ARG A 60 3.468 3.336 2.557 1.00 0.00 H new ATOM 0 HA ARG A 60 2.894 0.931 4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.620 2.415 5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.169 3.198 5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.874 4.310 3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.472 3.937 4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.880 5.797 5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.335 5.035 6.069 1.00 0.00 H new ATOM 0 HE ARG A 60 2.742 6.231 3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.611 6.846 6.920 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.626 8.288 6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.044 8.083 3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.434 8.985 4.793 1.00 0.00 H new ATOM 926 N LEU A 61 0.350 0.892 3.317 1.00 0.00 N ATOM 927 CA LEU A 61 -0.813 0.583 2.470 1.00 0.00 C ATOM 928 C LEU A 61 -2.073 1.293 3.019 1.00 0.00 C ATOM 929 O LEU A 61 -2.082 1.681 4.187 1.00 0.00 O ATOM 930 CB LEU A 61 -1.060 -0.935 2.423 1.00 0.00 C ATOM 931 CG LEU A 61 -0.009 -1.775 1.681 1.00 0.00 C ATOM 932 CD1 LEU A 61 -0.621 -2.651 0.600 1.00 0.00 C ATOM 933 CD2 LEU A 61 1.086 -0.900 1.089 1.00 0.00 C ATOM 0 H LEU A 61 0.288 0.541 4.273 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.606 0.939 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.130 -1.302 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.029 -1.109 1.955 1.00 0.00 H new ATOM 0 HG LEU A 61 0.435 -2.434 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.165 -3.223 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.340 -3.335 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.127 -2.023 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.812 -1.527 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.647 -0.195 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.584 -0.351 1.888 1.00 0.00 H new ATOM 945 N CYS A 62 -3.120 1.527 2.185 1.00 0.00 N ATOM 946 CA CYS A 62 -4.291 2.252 2.652 1.00 0.00 C ATOM 947 C CYS A 62 -5.531 1.321 2.886 1.00 0.00 C ATOM 948 O CYS A 62 -5.426 0.100 2.770 1.00 0.00 O ATOM 949 CB CYS A 62 -4.436 3.539 1.784 1.00 0.00 C ATOM 950 SG CYS A 62 -5.581 3.535 0.412 1.00 0.00 S ATOM 0 H CYS A 62 -3.162 1.225 1.212 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.181 2.625 3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.722 4.354 2.449 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.450 3.782 1.389 1.00 0.00 H new ATOM 955 N SER A 63 -6.621 1.908 3.383 1.00 0.00 N ATOM 956 CA SER A 63 -7.835 1.240 3.855 1.00 0.00 C ATOM 957 C SER A 63 -8.380 -0.019 3.162 1.00 0.00 C ATOM 958 O SER A 63 -8.106 -1.150 3.566 1.00 0.00 O ATOM 959 CB SER A 63 -8.951 2.308 3.954 1.00 0.00 C ATOM 960 OG SER A 63 -9.257 2.598 5.309 1.00 0.00 O ATOM 0 H SER A 63 -6.684 2.922 3.472 1.00 0.00 H new ATOM 0 HA SER A 63 -7.507 0.805 4.799 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.634 3.219 3.446 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.846 1.953 3.443 1.00 0.00 H new ATOM 0 HG SER A 63 -10.200 2.394 5.482 1.00 0.00 H new ATOM 966 N VAL A 64 -9.303 0.231 2.272 1.00 0.00 N ATOM 967 CA VAL A 64 -10.144 -0.815 1.625 1.00 0.00 C ATOM 968 C VAL A 64 -9.477 -1.955 0.842 1.00 0.00 C ATOM 969 O VAL A 64 -10.137 -2.564 -0.003 1.00 0.00 O ATOM 970 CB VAL A 64 -11.170 -0.163 0.702 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.209 0.604 1.507 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.458 0.740 -0.269 1.00 0.00 C ATOM 0 H VAL A 64 -9.517 1.175 1.951 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.564 -1.312 2.500 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.698 -0.936 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.930 1.061 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.726 -0.080 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.716 1.382 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.186 1.209 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.918 1.511 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.754 0.155 -0.860 1.00 0.00 H new ATOM 982 N HIS A 65 -8.226 -2.278 1.092 1.00 0.00 N ATOM 983 CA HIS A 65 -7.601 -3.389 0.346 1.00 0.00 C ATOM 984 C HIS A 65 -7.752 -4.727 1.091 1.00 0.00 C ATOM 985 O HIS A 65 -8.285 -5.682 0.528 1.00 0.00 O ATOM 986 CB HIS A 65 -6.135 -3.098 0.007 1.00 0.00 C ATOM 987 CG HIS A 65 -5.831 -1.650 -0.029 1.00 0.00 C ATOM 988 ND1 HIS A 65 -6.820 -0.695 0.062 1.00 0.00 N ATOM 989 CD2 HIS A 65 -4.664 -0.992 0.044 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.275 0.470 0.227 1.00 0.00 C ATOM 991 NE2 HIS A 65 -4.979 0.314 0.227 1.00 0.00 N ATOM 0 H HIS A 65 -7.627 -1.817 1.777 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.137 -3.478 -0.599 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.494 -3.581 0.744 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.896 -3.539 -0.961 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.674 -1.417 -0.028 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.801 1.406 0.344 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.301 1.066 0.347 1.00 0.00 H new ATOM 999 N PHE A 66 -7.311 -4.806 2.352 1.00 0.00 N ATOM 1000 CA PHE A 66 -7.437 -6.032 3.119 1.00 0.00 C ATOM 1001 C PHE A 66 -8.929 -6.328 3.372 1.00 0.00 C ATOM 1002 O PHE A 66 -9.761 -5.448 3.158 1.00 0.00 O ATOM 1003 CB PHE A 66 -6.690 -5.871 4.450 1.00 0.00 C ATOM 1004 CG PHE A 66 -5.289 -5.360 4.287 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -5.012 -3.993 4.287 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -4.243 -6.255 4.127 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -3.711 -3.544 4.133 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -2.947 -5.807 3.971 1.00 0.00 C ATOM 1009 CZ PHE A 66 -2.680 -4.454 3.972 1.00 0.00 C ATOM 0 H PHE A 66 -6.868 -4.036 2.853 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.004 -6.865 2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.247 -5.187 5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.661 -6.833 4.961 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.816 -3.282 4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.445 -7.316 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.501 -2.485 4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.142 -6.516 3.848 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.666 -4.104 3.847 1.00 0.00 H new ATOM 1019 N GLN A 67 -9.289 -7.539 3.839 1.00 0.00 N ATOM 1020 CA GLN A 67 -10.685 -7.841 4.106 1.00 0.00 C ATOM 1021 C GLN A 67 -11.004 -7.519 5.601 1.00 0.00 C ATOM 1022 O GLN A 67 -10.563 -8.285 6.460 1.00 0.00 O ATOM 1023 CB GLN A 67 -10.930 -9.332 3.861 1.00 0.00 C ATOM 1024 CG GLN A 67 -12.397 -9.686 3.682 1.00 0.00 C ATOM 1025 CD GLN A 67 -12.981 -10.385 4.895 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -12.312 -11.187 5.547 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -14.238 -10.083 5.205 1.00 0.00 N ATOM 0 H GLN A 67 -8.639 -8.301 4.032 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.321 -7.244 3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.379 -9.641 2.973 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.527 -9.900 4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.965 -8.777 3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.508 -10.329 2.809 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.756 -9.413 4.637 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.684 -10.522 6.011 1.00 0.00 H new ATOM 1036 N GLY A 68 -11.736 -6.426 5.968 1.00 0.00 N ATOM 1037 CA GLY A 68 -11.980 -6.183 7.382 1.00 0.00 C ATOM 1038 C GLY A 68 -10.708 -5.808 8.143 1.00 0.00 C ATOM 1039 O GLY A 68 -10.553 -4.655 8.543 1.00 0.00 O ATOM 0 H GLY A 68 -12.140 -5.744 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.712 -5.382 7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.417 -7.075 7.830 1.00 0.00 H new ATOM 1043 N GLY A 69 -9.783 -6.765 8.343 1.00 0.00 N ATOM 1044 CA GLY A 69 -8.551 -6.457 9.052 1.00 0.00 C ATOM 1045 C GLY A 69 -8.111 -7.583 9.970 1.00 0.00 C ATOM 1046 O GLY A 69 -8.939 -8.167 10.666 1.00 0.00 O ATOM 0 H GLY A 69 -9.871 -7.731 8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.761 -6.252 8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.690 -5.548 9.638 1.00 0.00 H new ATOM 1050 N ARG A 70 -6.801 -7.877 9.964 1.00 0.00 N ATOM 1051 CA ARG A 70 -6.210 -8.938 10.792 1.00 0.00 C ATOM 1052 C ARG A 70 -5.269 -9.796 9.955 1.00 0.00 C ATOM 1053 O ARG A 70 -4.306 -10.361 10.470 1.00 0.00 O ATOM 1054 CB ARG A 70 -7.275 -9.829 11.451 1.00 0.00 C ATOM 1055 CG ARG A 70 -6.703 -11.002 12.235 1.00 0.00 C ATOM 1056 CD ARG A 70 -5.596 -10.566 13.187 1.00 0.00 C ATOM 1057 NE ARG A 70 -5.855 -9.251 13.772 1.00 0.00 N ATOM 1058 CZ ARG A 70 -4.907 -8.462 14.275 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -3.639 -8.852 14.279 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -5.227 -7.278 14.781 1.00 0.00 N ATOM 0 H ARG A 70 -6.122 -7.385 9.384 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.653 -8.447 11.590 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.881 -9.219 12.121 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.942 -10.212 10.679 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.500 -11.483 12.802 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.312 -11.746 11.541 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.494 -11.302 13.984 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.647 -10.543 12.651 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.819 -8.918 13.796 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.384 -9.762 13.895 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.919 -8.242 14.666 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.200 -6.971 14.785 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.500 -6.675 15.166 1.00 0.00 H new ATOM 1074 N LYS A 71 -5.546 -9.882 8.656 1.00 0.00 N ATOM 1075 CA LYS A 71 -4.713 -10.665 7.752 1.00 0.00 C ATOM 1076 C LYS A 71 -4.739 -12.139 8.134 1.00 0.00 C ATOM 1077 O LYS A 71 -3.843 -12.630 8.820 1.00 0.00 O ATOM 1078 CB LYS A 71 -3.278 -10.142 7.790 1.00 0.00 C ATOM 1079 CG LYS A 71 -2.446 -10.502 6.566 1.00 0.00 C ATOM 1080 CD LYS A 71 -1.508 -9.367 6.169 1.00 0.00 C ATOM 1081 CE LYS A 71 -0.931 -8.647 7.384 1.00 0.00 C ATOM 1082 NZ LYS A 71 0.011 -7.562 6.993 1.00 0.00 N ATOM 0 H LYS A 71 -6.338 -9.420 8.209 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.109 -10.565 6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.302 -9.057 7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.784 -10.535 8.679 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.864 -11.400 6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.108 -10.736 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.694 -9.765 5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.047 -8.652 5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.744 -8.226 7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.413 -9.366 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.909 -7.682 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.186 -7.606 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.403 -6.639 7.234 1.00 0.00 H new ATOM 1096 N THR A 72 -5.773 -12.838 7.686 1.00 0.00 N ATOM 1097 CA THR A 72 -5.920 -14.257 7.979 1.00 0.00 C ATOM 1098 C THR A 72 -4.737 -15.048 7.428 1.00 0.00 C ATOM 1099 O THR A 72 -3.764 -14.470 6.945 1.00 0.00 O ATOM 1100 CB THR A 72 -7.230 -14.783 7.390 1.00 0.00 C ATOM 1101 OG1 THR A 72 -7.601 -14.034 6.246 1.00 0.00 O ATOM 1102 CG2 THR A 72 -8.385 -14.733 8.365 1.00 0.00 C ATOM 0 H THR A 72 -6.523 -12.445 7.118 1.00 0.00 H new ATOM 0 HA THR A 72 -5.943 -14.385 9.061 1.00 0.00 H new ATOM 0 HB THR A 72 -7.035 -15.825 7.134 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.202 -13.307 6.512 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.284 -15.120 7.885 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.150 -15.341 9.239 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.555 -13.702 8.675 1.00 0.00 H new ATOM 1110 N TYR A 73 -4.830 -16.371 7.503 1.00 0.00 N ATOM 1111 CA TYR A 73 -3.765 -17.240 7.008 1.00 0.00 C ATOM 1112 C TYR A 73 -4.044 -17.656 5.565 1.00 0.00 C ATOM 1113 O TYR A 73 -3.946 -18.832 5.214 1.00 0.00 O ATOM 1114 CB TYR A 73 -3.608 -18.485 7.900 1.00 0.00 C ATOM 1115 CG TYR A 73 -4.578 -18.549 9.061 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -5.854 -19.075 8.895 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -4.220 -18.083 10.319 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -6.745 -19.132 9.950 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -5.106 -18.137 11.380 1.00 0.00 C ATOM 1120 CZ TYR A 73 -6.366 -18.662 11.189 1.00 0.00 C ATOM 1121 OH TYR A 73 -7.252 -18.719 12.241 1.00 0.00 O ATOM 0 H TYR A 73 -5.629 -16.865 7.900 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.831 -16.679 7.039 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.737 -19.376 7.285 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.591 -18.511 8.290 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.154 -19.445 7.926 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.233 -17.671 10.472 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.733 -19.543 9.804 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.812 -17.770 12.352 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.830 -18.349 13.044 1.00 0.00 H new ATOM 1131 N THR A 74 -4.396 -16.682 4.734 1.00 0.00 N ATOM 1132 CA THR A 74 -4.697 -16.944 3.332 1.00 0.00 C ATOM 1133 C THR A 74 -4.336 -15.745 2.456 1.00 0.00 C ATOM 1134 O THR A 74 -3.774 -15.905 1.372 1.00 0.00 O ATOM 1135 CB THR A 74 -6.179 -17.290 3.162 1.00 0.00 C ATOM 1136 OG1 THR A 74 -6.898 -17.027 4.354 1.00 0.00 O ATOM 1137 CG2 THR A 74 -6.416 -18.738 2.796 1.00 0.00 C ATOM 0 H THR A 74 -4.480 -15.703 5.007 1.00 0.00 H new ATOM 0 HA THR A 74 -4.093 -17.793 3.013 1.00 0.00 H new ATOM 0 HB THR A 74 -6.529 -16.661 2.343 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.842 -17.253 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.486 -18.916 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.916 -18.961 1.853 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.016 -19.381 3.580 1.00 0.00 H new ATOM 1145 N VAL A 75 -4.671 -14.547 2.928 1.00 0.00 N ATOM 1146 CA VAL A 75 -4.387 -13.328 2.178 1.00 0.00 C ATOM 1147 C VAL A 75 -2.923 -12.908 2.373 1.00 0.00 C ATOM 1148 O VAL A 75 -2.600 -12.201 3.328 1.00 0.00 O ATOM 1149 CB VAL A 75 -5.344 -12.196 2.674 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -5.092 -11.892 4.143 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -5.264 -10.908 1.846 1.00 0.00 C ATOM 0 H VAL A 75 -5.137 -14.395 3.822 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.550 -13.508 1.115 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.355 -12.581 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.767 -11.102 4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.268 -12.790 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.060 -11.567 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.957 -10.171 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.249 -10.512 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.529 -11.124 0.811 1.00 0.00 H new ATOM 1161 N ARG A 76 -2.028 -13.332 1.462 1.00 0.00 N ATOM 1162 CA ARG A 76 -0.622 -12.961 1.574 1.00 0.00 C ATOM 1163 C ARG A 76 -0.416 -11.536 1.072 1.00 0.00 C ATOM 1164 O ARG A 76 0.142 -10.698 1.778 1.00 0.00 O ATOM 1165 CB ARG A 76 0.262 -13.945 0.799 1.00 0.00 C ATOM 1166 CG ARG A 76 1.315 -14.624 1.659 1.00 0.00 C ATOM 1167 CD ARG A 76 2.152 -15.601 0.848 1.00 0.00 C ATOM 1168 NE ARG A 76 2.654 -14.999 -0.385 1.00 0.00 N ATOM 1169 CZ ARG A 76 3.656 -14.123 -0.428 1.00 0.00 C ATOM 1170 NH1 ARG A 76 4.267 -13.747 0.688 1.00 0.00 N ATOM 1171 NH2 ARG A 76 4.047 -13.622 -1.591 1.00 0.00 N ATOM 0 H ARG A 76 -2.255 -13.919 0.659 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.331 -13.005 2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.370 -14.707 0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.756 -13.414 -0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.964 -13.870 2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.830 -15.153 2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.992 -15.946 1.451 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.552 -16.478 0.605 1.00 0.00 H new ATOM 0 HE ARG A 76 2.211 -15.265 -1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.970 -14.129 1.586 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.034 -13.076 0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.581 -13.907 -2.452 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.814 -12.951 -1.625 1.00 0.00 H new ATOM 1185 N VAL A 77 -0.907 -11.249 -0.134 1.00 0.00 N ATOM 1186 CA VAL A 77 -0.801 -9.902 -0.681 1.00 0.00 C ATOM 1187 C VAL A 77 -2.196 -9.381 -1.035 1.00 0.00 C ATOM 1188 O VAL A 77 -2.939 -10.028 -1.772 1.00 0.00 O ATOM 1189 CB VAL A 77 0.132 -9.840 -1.933 1.00 0.00 C ATOM 1190 CG1 VAL A 77 0.269 -11.199 -2.602 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.345 -8.797 -2.946 1.00 0.00 C ATOM 0 H VAL A 77 -1.375 -11.922 -0.741 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.351 -9.269 0.084 1.00 0.00 H new ATOM 0 HB VAL A 77 1.115 -9.538 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.925 -11.114 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.693 -11.912 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.713 -11.547 -2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.330 -8.785 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.351 -9.049 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.355 -7.813 -2.478 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.575 -8.203 -0.503 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.893 -7.603 -0.757 1.00 0.00 C ATOM 1203 C PRO A 78 -4.153 -7.229 -2.188 1.00 0.00 C ATOM 1204 O PRO A 78 -4.149 -6.033 -2.488 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.845 -6.306 0.067 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.843 -6.575 1.121 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.779 -7.360 0.423 1.00 0.00 C ATOM 0 HA PRO A 78 -4.678 -8.315 -0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.555 -5.455 -0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.819 -6.072 0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.446 -5.650 1.539 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.276 -7.138 1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.080 -6.716 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.192 -7.960 1.118 1.00 0.00 H new ATOM 1215 N THR A 79 -4.465 -8.164 -3.104 1.00 0.00 N ATOM 1216 CA THR A 79 -4.778 -7.619 -4.389 1.00 0.00 C ATOM 1217 C THR A 79 -6.288 -7.605 -4.560 1.00 0.00 C ATOM 1218 O THR A 79 -6.946 -8.595 -4.877 1.00 0.00 O ATOM 1219 CB THR A 79 -4.110 -8.436 -5.533 1.00 0.00 C ATOM 1220 OG1 THR A 79 -5.086 -9.016 -6.384 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.215 -9.562 -5.055 1.00 0.00 C ATOM 0 H THR A 79 -4.501 -9.176 -2.985 1.00 0.00 H new ATOM 0 HA THR A 79 -4.387 -6.603 -4.447 1.00 0.00 H new ATOM 0 HB THR A 79 -3.496 -7.705 -6.059 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.760 -9.478 -5.842 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.790 -10.079 -5.915 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.410 -9.153 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.800 -10.265 -4.461 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.758 -6.384 -4.443 1.00 0.00 N ATOM 1230 CA ILE A 80 -8.116 -5.951 -4.653 1.00 0.00 C ATOM 1231 C ILE A 80 -7.976 -4.801 -5.637 1.00 0.00 C ATOM 1232 O ILE A 80 -6.973 -4.122 -5.543 1.00 0.00 O ATOM 1233 CB ILE A 80 -8.764 -5.535 -3.300 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -9.269 -6.778 -2.568 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -9.904 -4.530 -3.449 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -8.278 -7.350 -1.579 1.00 0.00 C ATOM 0 H ILE A 80 -6.150 -5.609 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.777 -6.724 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.984 -5.036 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.190 -6.529 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.519 -7.544 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.306 -4.287 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.529 -3.622 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.692 -4.962 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.708 -8.229 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.364 -7.632 -2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.046 -6.601 -0.822 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.870 -4.569 -6.585 1.00 0.00 N ATOM 1249 CA PHE A 81 -8.670 -3.438 -7.513 1.00 0.00 C ATOM 1250 C PHE A 81 -7.480 -3.700 -8.431 1.00 0.00 C ATOM 1251 O PHE A 81 -7.024 -4.862 -8.491 1.00 0.00 O ATOM 1252 CB PHE A 81 -8.465 -2.078 -6.760 1.00 0.00 C ATOM 1253 CG PHE A 81 -7.482 -2.110 -5.596 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -6.104 -2.143 -5.809 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -7.945 -2.170 -4.285 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -5.220 -2.248 -4.742 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -7.063 -2.262 -3.219 1.00 0.00 C ATOM 1258 CZ PHE A 81 -5.701 -2.310 -3.446 1.00 0.00 C ATOM 1259 OXT PHE A 81 -7.015 -2.742 -9.085 1.00 0.00 O ATOM 0 H PHE A 81 -9.715 -5.119 -6.740 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.580 -3.355 -8.108 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.124 -1.333 -7.479 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.432 -1.741 -6.386 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.719 -2.086 -6.816 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.008 -2.145 -4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.156 -2.281 -4.924 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.442 -2.296 -2.208 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.015 -2.395 -2.616 1.00 0.00 H new TER 1269 PHE A 81 HETATM 1270 ZN ZN A 82 -4.913 1.876 -0.988 1.00 0.00 ZN