USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 534 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 14 CYS SG : rot -88:sc= 0.12 USER MOD Set 1.3: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 56 GLN : amide:sc= -1.27 K(o=-8.1,f=-6.6) USER MOD Set 2.2: A 59 ASN : amide:sc= -6.82! C(o=-8.1!,f=-9!) USER MOD Single : A 2 GLN : amide:sc= -2.05 X(o=-2,f=-2.1) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.0123 (180deg=-0.218) USER MOD Single : A 9 MET CE :methyl -163:sc= -0.122 (180deg=-0.636) USER MOD Single : A 11 CYS SG : rot -52:sc= -4.5! USER MOD Single : A 12 ASN : amide:sc= -8.2! C(o=-8.2!,f=-21!) USER MOD Single : A 13 HIS : no HD1:sc= -4.06! C(o=-4.1!,f=-5.2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00969) USER MOD Single : A 34 GLN : amide:sc= -0.408 K(o=-0.41,f=-4.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.00307 X(o=-0.0031,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0708 K(o=-0.071,f=-0.99) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -140:sc= -6.45! USER MOD Single : A 64 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -7.023 -3.849 -4.997 1.00 0.00 N ATOM 12 CA GLN A 2 -7.476 -3.220 -3.768 1.00 0.00 C ATOM 13 C GLN A 2 -6.564 -2.047 -3.405 1.00 0.00 C ATOM 14 O GLN A 2 -5.370 -2.233 -3.173 1.00 0.00 O ATOM 15 CB GLN A 2 -7.545 -4.235 -2.625 1.00 0.00 C ATOM 16 CG GLN A 2 -8.712 -3.925 -1.686 1.00 0.00 C ATOM 17 CD GLN A 2 -10.041 -3.919 -2.445 1.00 0.00 C ATOM 18 OE1 GLN A 2 -10.175 -4.485 -3.517 1.00 0.00 O ATOM 19 NE2 GLN A 2 -11.011 -3.248 -1.831 1.00 0.00 N ATOM 0 HA GLN A 2 -8.483 -2.836 -3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.658 -5.240 -3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.610 -4.222 -2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.748 -4.667 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.555 -2.956 -1.213 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.830 -2.797 -0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.936 -3.184 -2.257 1.00 0.00 H new ATOM 28 N GLU A 3 -7.160 -0.864 -3.366 1.00 0.00 N ATOM 29 CA GLU A 3 -6.416 0.339 -3.035 1.00 0.00 C ATOM 30 C GLU A 3 -6.748 0.793 -1.612 1.00 0.00 C ATOM 31 O GLU A 3 -7.732 0.345 -1.027 1.00 0.00 O ATOM 32 CB GLU A 3 -6.696 1.452 -4.046 1.00 0.00 C ATOM 33 CG GLU A 3 -8.081 2.063 -3.819 1.00 0.00 C ATOM 34 CD GLU A 3 -8.332 3.225 -4.782 1.00 0.00 C ATOM 35 OE1 GLU A 3 -7.330 3.859 -5.180 1.00 0.00 O ATOM 36 OE2 GLU A 3 -9.519 3.454 -5.099 1.00 0.00 O ATOM 0 H GLU A 3 -8.150 -0.713 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.351 0.110 -3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.934 2.227 -3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.632 1.053 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.846 1.299 -3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.163 2.414 -2.790 1.00 0.00 H new ATOM 43 N PHE A 4 -5.907 1.678 -1.097 1.00 0.00 N ATOM 44 CA PHE A 4 -6.099 2.199 0.246 1.00 0.00 C ATOM 45 C PHE A 4 -5.934 3.720 0.274 1.00 0.00 C ATOM 46 O PHE A 4 -4.948 4.250 -0.236 1.00 0.00 O ATOM 47 CB PHE A 4 -5.023 1.565 1.130 1.00 0.00 C ATOM 48 CG PHE A 4 -4.576 0.176 0.667 1.00 0.00 C ATOM 49 CD1 PHE A 4 -5.502 -0.790 0.425 1.00 0.00 C ATOM 50 CD2 PHE A 4 -3.254 -0.091 0.497 1.00 0.00 C ATOM 51 CE1 PHE A 4 -5.088 -2.079 -0.005 1.00 0.00 C ATOM 52 CE2 PHE A 4 -2.839 -1.380 0.068 1.00 0.00 C ATOM 53 CZ PHE A 4 -3.765 -2.346 -0.174 1.00 0.00 C ATOM 0 H PHE A 4 -5.091 2.047 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.104 1.963 0.596 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.155 2.224 1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.401 1.493 2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.552 -0.577 0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.519 0.677 0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.823 -2.846 -0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.789 -1.593 -0.066 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.450 -3.326 -0.501 1.00 0.00 H new ATOM 63 N SER A 5 -6.914 4.379 0.875 1.00 0.00 N ATOM 64 CA SER A 5 -6.889 5.828 0.976 1.00 0.00 C ATOM 65 C SER A 5 -5.963 6.258 2.115 1.00 0.00 C ATOM 66 O SER A 5 -6.090 5.775 3.239 1.00 0.00 O ATOM 67 CB SER A 5 -8.296 6.389 1.195 1.00 0.00 C ATOM 68 OG SER A 5 -8.267 7.687 1.783 1.00 0.00 O ATOM 0 H SER A 5 -7.730 3.936 1.297 1.00 0.00 H new ATOM 0 HA SER A 5 -6.509 6.230 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.821 6.435 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.860 5.713 1.837 1.00 0.00 H new ATOM 0 HG SER A 5 -9.184 8.011 1.905 1.00 0.00 H new ATOM 74 N VAL A 6 -5.051 7.161 1.784 1.00 0.00 N ATOM 75 CA VAL A 6 -4.104 7.661 2.766 1.00 0.00 C ATOM 76 C VAL A 6 -4.475 9.097 3.141 1.00 0.00 C ATOM 77 O VAL A 6 -4.439 9.992 2.298 1.00 0.00 O ATOM 78 CB VAL A 6 -2.677 7.533 2.228 1.00 0.00 C ATOM 79 CG1 VAL A 6 -1.651 7.904 3.301 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.419 6.126 1.686 1.00 0.00 C ATOM 0 H VAL A 6 -4.948 7.559 0.850 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.148 7.065 3.678 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.567 8.235 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.645 7.805 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.813 8.934 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.763 7.238 4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.398 6.063 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.558 5.397 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.118 5.914 0.876 1.00 0.00 H new ATOM 90 N LYS A 7 -4.823 9.273 4.407 1.00 0.00 N ATOM 91 CA LYS A 7 -5.200 10.585 4.904 1.00 0.00 C ATOM 92 C LYS A 7 -4.149 11.068 5.905 1.00 0.00 C ATOM 93 O LYS A 7 -4.487 11.499 7.007 1.00 0.00 O ATOM 94 CB LYS A 7 -6.621 10.555 5.472 1.00 0.00 C ATOM 95 CG LYS A 7 -7.652 10.358 4.358 1.00 0.00 C ATOM 96 CD LYS A 7 -8.575 11.573 4.245 1.00 0.00 C ATOM 97 CE LYS A 7 -9.749 11.283 3.308 1.00 0.00 C ATOM 98 NZ LYS A 7 -10.700 10.344 3.944 1.00 0.00 N ATOM 0 H LYS A 7 -4.852 8.529 5.104 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.222 11.309 4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.709 9.749 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.825 11.486 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.141 10.195 3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.243 9.465 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.951 11.842 5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.012 12.429 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.260 12.213 3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.380 10.859 2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.610 10.378 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.316 9.378 3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.843 10.615 4.938 1.00 0.00 H new ATOM 112 N GLY A 8 -2.895 10.980 5.486 1.00 0.00 N ATOM 113 CA GLY A 8 -1.792 11.403 6.332 1.00 0.00 C ATOM 114 C GLY A 8 -0.520 11.617 5.509 1.00 0.00 C ATOM 115 O GLY A 8 0.588 11.527 6.036 1.00 0.00 O ATOM 0 H GLY A 8 -2.618 10.622 4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.057 12.327 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.610 10.652 7.101 1.00 0.00 H new ATOM 119 N MET A 9 -0.722 11.896 4.229 1.00 0.00 N ATOM 120 CA MET A 9 0.395 12.124 3.328 1.00 0.00 C ATOM 121 C MET A 9 1.013 13.504 3.559 1.00 0.00 C ATOM 122 O MET A 9 0.362 14.398 4.098 1.00 0.00 O ATOM 123 CB MET A 9 -0.088 12.016 1.880 1.00 0.00 C ATOM 124 CG MET A 9 0.713 10.962 1.112 1.00 0.00 C ATOM 125 SD MET A 9 0.926 11.474 -0.584 1.00 0.00 S ATOM 126 CE MET A 9 -0.150 10.304 -1.398 1.00 0.00 C ATOM 0 H MET A 9 -1.642 11.969 3.795 1.00 0.00 H new ATOM 0 HA MET A 9 1.156 11.369 3.524 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.146 11.756 1.864 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.010 12.983 1.387 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.686 10.819 1.582 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.197 10.003 1.149 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.084 10.274 -2.462 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.004 9.314 -0.966 1.00 0.00 H new ATOM 0 HE3 MET A 9 -1.188 10.609 -1.263 1.00 0.00 H new ATOM 136 N SER A 10 2.263 13.636 3.139 1.00 0.00 N ATOM 137 CA SER A 10 2.976 14.892 3.293 1.00 0.00 C ATOM 138 C SER A 10 3.251 15.509 1.920 1.00 0.00 C ATOM 139 O SER A 10 3.446 16.718 1.807 1.00 0.00 O ATOM 140 CB SER A 10 4.286 14.691 4.057 1.00 0.00 C ATOM 141 OG SER A 10 4.072 14.565 5.460 1.00 0.00 O ATOM 0 H SER A 10 2.800 12.893 2.692 1.00 0.00 H new ATOM 0 HA SER A 10 2.351 15.572 3.871 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.789 13.798 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.950 15.534 3.866 1.00 0.00 H new ATOM 0 HG SER A 10 4.932 14.436 5.912 1.00 0.00 H new ATOM 147 N CYS A 11 3.259 14.650 0.911 1.00 0.00 N ATOM 148 CA CYS A 11 3.507 15.096 -0.449 1.00 0.00 C ATOM 149 C CYS A 11 4.965 15.549 -0.548 1.00 0.00 C ATOM 150 O CYS A 11 5.240 16.733 -0.735 1.00 0.00 O ATOM 151 CB CYS A 11 2.537 16.202 -0.868 1.00 0.00 C ATOM 152 SG CYS A 11 3.051 16.911 -2.475 1.00 0.00 S ATOM 0 H CYS A 11 3.098 13.648 1.008 1.00 0.00 H new ATOM 0 HA CYS A 11 3.336 14.271 -1.141 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.527 15.801 -0.945 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.513 16.983 -0.108 1.00 0.00 H new ATOM 0 HG CYS A 11 4.304 17.253 -2.417 1.00 0.00 H new ATOM 158 N ASN A 12 5.862 14.582 -0.418 1.00 0.00 N ATOM 159 CA ASN A 12 7.285 14.867 -0.490 1.00 0.00 C ATOM 160 C ASN A 12 8.056 13.554 -0.642 1.00 0.00 C ATOM 161 O ASN A 12 8.526 13.228 -1.731 1.00 0.00 O ATOM 162 CB ASN A 12 7.774 15.557 0.785 1.00 0.00 C ATOM 163 CG ASN A 12 6.645 15.678 1.811 1.00 0.00 C ATOM 164 OD1 ASN A 12 5.898 14.747 2.062 1.00 0.00 O ATOM 165 ND2 ASN A 12 6.564 16.873 2.387 1.00 0.00 N ATOM 0 H ASN A 12 5.631 13.601 -0.263 1.00 0.00 H new ATOM 0 HA ASN A 12 7.455 15.524 -1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.601 14.992 1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.157 16.548 0.542 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.844 17.054 3.086 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.222 17.609 2.130 1.00 0.00 H new ATOM 172 N HIS A 13 8.162 12.835 0.466 1.00 0.00 N ATOM 173 CA HIS A 13 8.868 11.565 0.469 1.00 0.00 C ATOM 174 C HIS A 13 7.926 10.456 0.943 1.00 0.00 C ATOM 175 O HIS A 13 8.313 9.289 0.996 1.00 0.00 O ATOM 176 CB HIS A 13 10.145 11.656 1.307 1.00 0.00 C ATOM 177 CG HIS A 13 10.053 10.961 2.645 1.00 0.00 C ATOM 178 ND1 HIS A 13 8.908 10.979 3.421 1.00 0.00 N ATOM 179 CD2 HIS A 13 10.974 10.229 3.334 1.00 0.00 C ATOM 180 CE1 HIS A 13 9.141 10.287 4.526 1.00 0.00 C ATOM 181 NE2 HIS A 13 10.422 9.823 4.471 1.00 0.00 N ATOM 0 H HIS A 13 7.771 13.108 1.368 1.00 0.00 H new ATOM 0 HA HIS A 13 9.184 11.318 -0.544 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.970 11.224 0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.386 12.706 1.471 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.982 10.016 3.010 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.439 10.120 5.330 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.880 9.257 5.185 1.00 0.00 H new ATOM 189 N CYS A 14 6.709 10.859 1.274 1.00 0.00 N ATOM 190 CA CYS A 14 5.709 9.914 1.741 1.00 0.00 C ATOM 191 C CYS A 14 5.350 8.982 0.582 1.00 0.00 C ATOM 192 O CYS A 14 5.515 7.767 0.683 1.00 0.00 O ATOM 193 CB CYS A 14 4.477 10.625 2.304 1.00 0.00 C ATOM 194 SG CYS A 14 4.792 11.155 4.027 1.00 0.00 S ATOM 0 H CYS A 14 6.392 11.827 1.228 1.00 0.00 H new ATOM 0 HA CYS A 14 6.116 9.328 2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.233 11.490 1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.616 9.958 2.272 1.00 0.00 H new ATOM 0 HG CYS A 14 4.473 10.193 4.842 1.00 0.00 H new ATOM 200 N VAL A 15 4.866 9.586 -0.493 1.00 0.00 N ATOM 201 CA VAL A 15 4.483 8.826 -1.671 1.00 0.00 C ATOM 202 C VAL A 15 5.462 7.667 -1.865 1.00 0.00 C ATOM 203 O VAL A 15 5.048 6.521 -2.037 1.00 0.00 O ATOM 204 CB VAL A 15 4.402 9.750 -2.887 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.625 8.970 -4.184 1.00 0.00 C ATOM 206 CG2 VAL A 15 3.068 10.499 -2.919 1.00 0.00 C ATOM 0 H VAL A 15 4.730 10.594 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 15 3.490 8.395 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 15 5.198 10.489 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.562 9.650 -5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.610 8.505 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.861 8.198 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.037 11.149 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.249 9.782 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.967 11.101 -2.016 1.00 0.00 H new ATOM 216 N ALA A 16 6.743 8.004 -1.831 1.00 0.00 N ATOM 217 CA ALA A 16 7.785 7.005 -2.001 1.00 0.00 C ATOM 218 C ALA A 16 7.758 6.039 -0.814 1.00 0.00 C ATOM 219 O ALA A 16 7.558 4.839 -0.991 1.00 0.00 O ATOM 220 CB ALA A 16 9.139 7.700 -2.156 1.00 0.00 C ATOM 0 H ALA A 16 7.083 8.955 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 16 7.613 6.421 -2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.920 6.951 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.116 8.352 -3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.347 8.293 -1.266 1.00 0.00 H new ATOM 226 N ARG A 17 7.962 6.600 0.369 1.00 0.00 N ATOM 227 CA ARG A 17 7.963 5.804 1.584 1.00 0.00 C ATOM 228 C ARG A 17 6.785 4.828 1.581 1.00 0.00 C ATOM 229 O ARG A 17 6.948 3.651 1.901 1.00 0.00 O ATOM 230 CB ARG A 17 7.876 6.693 2.826 1.00 0.00 C ATOM 231 CG ARG A 17 9.157 6.599 3.659 1.00 0.00 C ATOM 232 CD ARG A 17 10.392 6.864 2.796 1.00 0.00 C ATOM 233 NE ARG A 17 11.370 5.765 2.961 1.00 0.00 N ATOM 234 CZ ARG A 17 12.116 5.582 4.059 1.00 0.00 C ATOM 235 NH1 ARG A 17 12.001 6.423 5.096 1.00 0.00 N ATOM 236 NH2 ARG A 17 12.977 4.557 4.120 1.00 0.00 N ATOM 0 H ARG A 17 8.128 7.596 0.512 1.00 0.00 H new ATOM 0 HA ARG A 17 8.900 5.248 1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.708 7.727 2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.021 6.394 3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.118 7.320 4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.230 5.610 4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.102 6.950 1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.847 7.813 3.080 1.00 0.00 H new ATOM 0 HE ARG A 17 11.483 5.106 2.191 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.345 7.203 5.050 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.569 6.283 5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.064 3.917 3.331 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.545 4.417 4.956 1.00 0.00 H new ATOM 250 N ILE A 18 5.624 5.352 1.215 1.00 0.00 N ATOM 251 CA ILE A 18 4.419 4.542 1.166 1.00 0.00 C ATOM 252 C ILE A 18 4.618 3.400 0.168 1.00 0.00 C ATOM 253 O ILE A 18 4.517 2.229 0.531 1.00 0.00 O ATOM 254 CB ILE A 18 3.199 5.415 0.867 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.059 6.535 1.899 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.929 4.567 0.766 1.00 0.00 C ATOM 257 CD1 ILE A 18 2.079 7.607 1.417 1.00 0.00 C ATOM 0 H ILE A 18 5.493 6.328 0.950 1.00 0.00 H new ATOM 0 HA ILE A 18 4.226 4.087 2.137 1.00 0.00 H new ATOM 0 HB ILE A 18 3.348 5.889 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.713 6.120 2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.034 6.986 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.077 5.212 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.041 3.838 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.763 4.046 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.998 8.391 2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.440 8.037 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.099 7.158 1.255 1.00 0.00 H new ATOM 269 N GLU A 19 4.898 3.780 -1.070 1.00 0.00 N ATOM 270 CA GLU A 19 5.112 2.803 -2.123 1.00 0.00 C ATOM 271 C GLU A 19 6.215 1.822 -1.721 1.00 0.00 C ATOM 272 O GLU A 19 6.079 0.615 -1.916 1.00 0.00 O ATOM 273 CB GLU A 19 5.446 3.489 -3.449 1.00 0.00 C ATOM 274 CG GLU A 19 5.080 2.596 -4.636 1.00 0.00 C ATOM 275 CD GLU A 19 6.266 1.721 -5.050 1.00 0.00 C ATOM 276 OE1 GLU A 19 6.831 1.067 -4.148 1.00 0.00 O ATOM 277 OE2 GLU A 19 6.580 1.728 -6.260 1.00 0.00 O ATOM 0 H GLU A 19 4.982 4.752 -1.367 1.00 0.00 H new ATOM 0 HA GLU A 19 4.188 2.243 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.906 4.433 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.509 3.726 -3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.232 1.964 -4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.768 3.214 -5.478 1.00 0.00 H new ATOM 284 N GLU A 20 7.283 2.377 -1.166 1.00 0.00 N ATOM 285 CA GLU A 20 8.409 1.566 -0.734 1.00 0.00 C ATOM 286 C GLU A 20 7.992 0.651 0.419 1.00 0.00 C ATOM 287 O GLU A 20 8.281 -0.545 0.403 1.00 0.00 O ATOM 288 CB GLU A 20 9.596 2.444 -0.336 1.00 0.00 C ATOM 289 CG GLU A 20 10.920 1.707 -0.552 1.00 0.00 C ATOM 290 CD GLU A 20 12.006 2.249 0.380 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.651 2.592 1.528 1.00 0.00 O ATOM 292 OE2 GLU A 20 13.168 2.308 -0.078 1.00 0.00 O ATOM 0 H GLU A 20 7.392 3.378 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 20 8.725 0.943 -1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.587 3.362 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.504 2.734 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.781 0.641 -0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.237 1.817 -1.589 1.00 0.00 H new ATOM 299 N ALA A 21 7.321 1.247 1.393 1.00 0.00 N ATOM 300 CA ALA A 21 6.862 0.501 2.552 1.00 0.00 C ATOM 301 C ALA A 21 5.826 -0.534 2.109 1.00 0.00 C ATOM 302 O ALA A 21 5.988 -1.727 2.361 1.00 0.00 O ATOM 303 CB ALA A 21 6.307 1.471 3.597 1.00 0.00 C ATOM 0 H ALA A 21 7.084 2.239 1.403 1.00 0.00 H new ATOM 0 HA ALA A 21 7.689 -0.037 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.963 0.911 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.090 2.166 3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.473 2.027 3.170 1.00 0.00 H new ATOM 309 N VAL A 22 4.784 -0.040 1.457 1.00 0.00 N ATOM 310 CA VAL A 22 3.721 -0.907 0.977 1.00 0.00 C ATOM 311 C VAL A 22 4.325 -2.014 0.110 1.00 0.00 C ATOM 312 O VAL A 22 3.824 -3.137 0.095 1.00 0.00 O ATOM 313 CB VAL A 22 2.664 -0.081 0.241 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.644 -0.987 -0.451 1.00 0.00 C ATOM 315 CG2 VAL A 22 1.972 0.898 1.192 1.00 0.00 C ATOM 0 H VAL A 22 4.653 0.950 1.250 1.00 0.00 H new ATOM 0 HA VAL A 22 3.214 -1.388 1.813 1.00 0.00 H new ATOM 0 HB VAL A 22 3.171 0.502 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.904 -0.375 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.154 -1.624 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.146 -1.609 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.226 1.472 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.485 0.343 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.712 1.577 1.617 1.00 0.00 H new ATOM 325 N GLY A 23 5.391 -1.658 -0.591 1.00 0.00 N ATOM 326 CA GLY A 23 6.068 -2.607 -1.458 1.00 0.00 C ATOM 327 C GLY A 23 6.905 -3.595 -0.642 1.00 0.00 C ATOM 328 O GLY A 23 7.256 -4.667 -1.130 1.00 0.00 O ATOM 0 H GLY A 23 5.803 -0.725 -0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.333 -3.151 -2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.710 -2.072 -2.158 1.00 0.00 H new ATOM 332 N ARG A 24 7.199 -3.197 0.587 1.00 0.00 N ATOM 333 CA ARG A 24 7.988 -4.034 1.476 1.00 0.00 C ATOM 334 C ARG A 24 7.137 -5.187 2.013 1.00 0.00 C ATOM 335 O ARG A 24 7.659 -6.109 2.639 1.00 0.00 O ATOM 336 CB ARG A 24 8.538 -3.224 2.651 1.00 0.00 C ATOM 337 CG ARG A 24 9.930 -3.717 3.053 1.00 0.00 C ATOM 338 CD ARG A 24 9.993 -4.017 4.552 1.00 0.00 C ATOM 339 NE ARG A 24 9.550 -5.405 4.810 1.00 0.00 N ATOM 340 CZ ARG A 24 9.700 -6.036 5.982 1.00 0.00 C ATOM 341 NH1 ARG A 24 10.282 -5.407 7.012 1.00 0.00 N ATOM 342 NH2 ARG A 24 9.267 -7.296 6.125 1.00 0.00 N ATOM 0 H ARG A 24 6.905 -2.306 0.988 1.00 0.00 H new ATOM 0 HA ARG A 24 8.824 -4.432 0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.586 -2.169 2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.860 -3.304 3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.179 -4.615 2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.675 -2.963 2.798 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.011 -3.878 4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.360 -3.317 5.098 1.00 0.00 H new ATOM 0 HE ARG A 24 9.102 -5.913 4.047 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.611 -4.448 6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.396 -5.888 7.904 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.823 -7.775 5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.381 -7.776 7.018 1.00 0.00 H new ATOM 356 N ILE A 25 5.842 -5.098 1.749 1.00 0.00 N ATOM 357 CA ILE A 25 4.914 -6.122 2.198 1.00 0.00 C ATOM 358 C ILE A 25 5.204 -7.427 1.455 1.00 0.00 C ATOM 359 O ILE A 25 5.017 -7.510 0.242 1.00 0.00 O ATOM 360 CB ILE A 25 3.470 -5.638 2.052 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.260 -4.310 2.783 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.483 -6.710 2.517 1.00 0.00 C ATOM 363 CD1 ILE A 25 3.743 -4.399 4.232 1.00 0.00 C ATOM 0 H ILE A 25 5.413 -4.332 1.230 1.00 0.00 H new ATOM 0 HA ILE A 25 5.052 -6.322 3.261 1.00 0.00 H new ATOM 0 HB ILE A 25 3.276 -5.458 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.798 -3.516 2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.203 -4.043 2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.464 -6.340 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.612 -7.609 1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.668 -6.945 3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.582 -3.442 4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.186 -5.177 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.806 -4.642 4.247 1.00 0.00 H new ATOM 375 N SER A 26 5.654 -8.415 2.214 1.00 0.00 N ATOM 376 CA SER A 26 5.971 -9.713 1.643 1.00 0.00 C ATOM 377 C SER A 26 4.700 -10.373 1.105 1.00 0.00 C ATOM 378 O SER A 26 3.954 -10.998 1.859 1.00 0.00 O ATOM 379 CB SER A 26 6.644 -10.620 2.675 1.00 0.00 C ATOM 380 OG SER A 26 6.711 -11.973 2.234 1.00 0.00 O ATOM 0 H SER A 26 5.807 -8.343 3.220 1.00 0.00 H new ATOM 0 HA SER A 26 6.671 -9.563 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.651 -10.254 2.877 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.093 -10.572 3.614 1.00 0.00 H new ATOM 0 HG SER A 26 7.149 -12.519 2.920 1.00 0.00 H new ATOM 386 N GLY A 27 4.491 -10.212 -0.193 1.00 0.00 N ATOM 387 CA GLY A 27 3.322 -10.784 -0.840 1.00 0.00 C ATOM 388 C GLY A 27 2.760 -9.832 -1.897 1.00 0.00 C ATOM 389 O GLY A 27 1.930 -10.227 -2.715 1.00 0.00 O ATOM 0 H GLY A 27 5.111 -9.693 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.587 -11.734 -1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.557 -10.997 -0.094 1.00 0.00 H new ATOM 393 N VAL A 28 3.234 -8.596 -1.847 1.00 0.00 N ATOM 394 CA VAL A 28 2.789 -7.584 -2.790 1.00 0.00 C ATOM 395 C VAL A 28 3.627 -7.679 -4.067 1.00 0.00 C ATOM 396 O VAL A 28 4.853 -7.602 -4.015 1.00 0.00 O ATOM 397 CB VAL A 28 2.845 -6.201 -2.139 1.00 0.00 C ATOM 398 CG1 VAL A 28 2.869 -5.097 -3.199 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.679 -6.003 -1.169 1.00 0.00 C ATOM 0 H VAL A 28 3.922 -8.272 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 28 1.749 -7.754 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 28 3.771 -6.138 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.909 -4.124 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.747 -5.221 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.968 -5.159 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.743 -5.012 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.737 -6.097 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.725 -6.759 -0.386 1.00 0.00 H new ATOM 409 N LYS A 29 2.932 -7.845 -5.182 1.00 0.00 N ATOM 410 CA LYS A 29 3.596 -7.951 -6.470 1.00 0.00 C ATOM 411 C LYS A 29 3.836 -6.549 -7.032 1.00 0.00 C ATOM 412 O LYS A 29 4.948 -6.224 -7.446 1.00 0.00 O ATOM 413 CB LYS A 29 2.804 -8.863 -7.408 1.00 0.00 C ATOM 414 CG LYS A 29 3.741 -9.744 -8.237 1.00 0.00 C ATOM 415 CD LYS A 29 3.454 -11.228 -7.996 1.00 0.00 C ATOM 416 CE LYS A 29 4.313 -11.774 -6.854 1.00 0.00 C ATOM 417 NZ LYS A 29 5.219 -12.835 -7.349 1.00 0.00 N ATOM 0 H LYS A 29 1.915 -7.909 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 29 4.573 -8.421 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.129 -9.491 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.185 -8.259 -8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.621 -9.514 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.777 -9.524 -7.979 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.399 -11.364 -7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.652 -11.793 -8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.896 -10.967 -6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.672 -12.172 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.795 -13.195 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.657 -13.612 -7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.843 -12.444 -8.084 1.00 0.00 H new ATOM 431 N LYS A 30 2.775 -5.755 -7.029 1.00 0.00 N ATOM 432 CA LYS A 30 2.857 -4.395 -7.534 1.00 0.00 C ATOM 433 C LYS A 30 2.205 -3.443 -6.529 1.00 0.00 C ATOM 434 O LYS A 30 1.259 -3.817 -5.838 1.00 0.00 O ATOM 435 CB LYS A 30 2.260 -4.309 -8.940 1.00 0.00 C ATOM 436 CG LYS A 30 2.696 -5.500 -9.795 1.00 0.00 C ATOM 437 CD LYS A 30 4.034 -5.221 -10.483 1.00 0.00 C ATOM 438 CE LYS A 30 4.049 -5.786 -11.904 1.00 0.00 C ATOM 439 NZ LYS A 30 4.779 -4.878 -12.816 1.00 0.00 N ATOM 0 H LYS A 30 1.854 -6.028 -6.685 1.00 0.00 H new ATOM 0 HA LYS A 30 3.898 -4.088 -7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.172 -4.282 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.575 -3.380 -9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.783 -6.389 -9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.934 -5.712 -10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.214 -4.146 -10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.844 -5.664 -9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.521 -6.769 -11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.027 -5.922 -12.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.779 -5.277 -13.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.312 -3.949 -12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.759 -4.769 -12.486 1.00 0.00 H new ATOM 453 N VAL A 31 2.736 -2.230 -6.481 1.00 0.00 N ATOM 454 CA VAL A 31 2.218 -1.222 -5.572 1.00 0.00 C ATOM 455 C VAL A 31 2.551 0.169 -6.117 1.00 0.00 C ATOM 456 O VAL A 31 3.639 0.386 -6.648 1.00 0.00 O ATOM 457 CB VAL A 31 2.762 -1.458 -4.162 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.253 -1.799 -4.200 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.498 -0.249 -3.263 1.00 0.00 C ATOM 0 H VAL A 31 3.520 -1.923 -7.057 1.00 0.00 H new ATOM 0 HA VAL A 31 1.133 -1.293 -5.502 1.00 0.00 H new ATOM 0 HB VAL A 31 2.234 -2.312 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.615 -1.962 -3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.404 -2.704 -4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.803 -0.975 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.895 -0.443 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.986 0.630 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.425 -0.071 -3.198 1.00 0.00 H new ATOM 469 N LYS A 32 1.596 1.074 -5.965 1.00 0.00 N ATOM 470 CA LYS A 32 1.775 2.437 -6.435 1.00 0.00 C ATOM 471 C LYS A 32 0.859 3.370 -5.639 1.00 0.00 C ATOM 472 O LYS A 32 -0.069 2.915 -4.973 1.00 0.00 O ATOM 473 CB LYS A 32 1.566 2.514 -7.948 1.00 0.00 C ATOM 474 CG LYS A 32 2.293 3.722 -8.542 1.00 0.00 C ATOM 475 CD LYS A 32 1.299 4.735 -9.112 1.00 0.00 C ATOM 476 CE LYS A 32 1.320 4.723 -10.642 1.00 0.00 C ATOM 477 NZ LYS A 32 0.823 3.427 -11.156 1.00 0.00 N ATOM 0 H LYS A 32 0.695 0.890 -5.523 1.00 0.00 H new ATOM 0 HA LYS A 32 2.799 2.769 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.931 1.600 -8.416 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.501 2.582 -8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.902 4.198 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.972 3.392 -9.328 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.295 4.504 -8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.543 5.733 -8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.702 5.535 -11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.335 4.898 -10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.796 3.453 -12.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.458 2.664 -10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.134 3.252 -10.789 1.00 0.00 H new ATOM 491 N VAL A 33 1.154 4.658 -5.735 1.00 0.00 N ATOM 492 CA VAL A 33 0.369 5.659 -5.033 1.00 0.00 C ATOM 493 C VAL A 33 0.156 6.868 -5.947 1.00 0.00 C ATOM 494 O VAL A 33 1.051 7.244 -6.703 1.00 0.00 O ATOM 495 CB VAL A 33 1.047 6.022 -3.710 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.243 6.947 -3.942 1.00 0.00 C ATOM 497 CG2 VAL A 33 0.048 6.651 -2.736 1.00 0.00 C ATOM 0 H VAL A 33 1.925 5.031 -6.288 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.615 5.265 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 33 1.418 5.101 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.706 7.189 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.971 6.447 -4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.905 7.864 -4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.556 6.899 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.367 7.558 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.757 5.944 -2.534 1.00 0.00 H new ATOM 507 N GLN A 34 -1.033 7.443 -5.847 1.00 0.00 N ATOM 508 CA GLN A 34 -1.375 8.601 -6.655 1.00 0.00 C ATOM 509 C GLN A 34 -1.499 9.845 -5.774 1.00 0.00 C ATOM 510 O GLN A 34 -2.467 9.988 -5.028 1.00 0.00 O ATOM 511 CB GLN A 34 -2.662 8.358 -7.446 1.00 0.00 C ATOM 512 CG GLN A 34 -3.369 7.089 -6.965 1.00 0.00 C ATOM 513 CD GLN A 34 -4.560 6.751 -7.864 1.00 0.00 C ATOM 514 OE1 GLN A 34 -5.511 7.506 -7.988 1.00 0.00 O ATOM 515 NE2 GLN A 34 -4.456 5.578 -8.482 1.00 0.00 N ATOM 0 H GLN A 34 -1.772 7.128 -5.218 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.573 8.767 -7.374 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.328 9.214 -7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.430 8.269 -8.507 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.665 6.256 -6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.710 7.225 -5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.632 4.995 -8.334 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.200 5.262 -9.104 1.00 0.00 H new ATOM 524 N LEU A 35 -0.506 10.714 -5.888 1.00 0.00 N ATOM 525 CA LEU A 35 -0.492 11.942 -5.111 1.00 0.00 C ATOM 526 C LEU A 35 -1.693 12.804 -5.506 1.00 0.00 C ATOM 527 O LEU A 35 -2.218 12.674 -6.611 1.00 0.00 O ATOM 528 CB LEU A 35 0.853 12.655 -5.260 1.00 0.00 C ATOM 529 CG LEU A 35 1.061 13.886 -4.375 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.945 13.522 -2.894 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.391 14.573 -4.694 1.00 0.00 C ATOM 0 H LEU A 35 0.295 10.592 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.593 11.722 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.647 11.940 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.969 12.957 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 35 0.269 14.602 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.097 14.415 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.046 13.113 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.701 12.779 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.514 15.445 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.211 13.876 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.397 14.888 -5.737 1.00 0.00 H new ATOM 543 N LYS A 36 -2.092 13.666 -4.582 1.00 0.00 N ATOM 544 CA LYS A 36 -3.220 14.549 -4.821 1.00 0.00 C ATOM 545 C LYS A 36 -4.487 13.712 -5.009 1.00 0.00 C ATOM 546 O LYS A 36 -5.529 14.236 -5.402 1.00 0.00 O ATOM 547 CB LYS A 36 -2.926 15.491 -5.990 1.00 0.00 C ATOM 548 CG LYS A 36 -4.041 16.527 -6.154 1.00 0.00 C ATOM 549 CD LYS A 36 -3.557 17.728 -6.968 1.00 0.00 C ATOM 550 CE LYS A 36 -3.121 18.873 -6.051 1.00 0.00 C ATOM 551 NZ LYS A 36 -2.905 20.110 -6.834 1.00 0.00 N ATOM 0 H LYS A 36 -1.654 13.771 -3.667 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.388 15.193 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.976 15.998 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.823 14.914 -6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.898 16.069 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.380 16.861 -5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.723 17.429 -7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.354 18.070 -7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.881 19.046 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.203 18.600 -5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.610 20.877 -6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.164 19.946 -7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.789 20.378 -7.311 1.00 0.00 H new ATOM 565 N LYS A 37 -4.356 12.426 -4.720 1.00 0.00 N ATOM 566 CA LYS A 37 -5.477 11.511 -4.853 1.00 0.00 C ATOM 567 C LYS A 37 -5.819 10.928 -3.481 1.00 0.00 C ATOM 568 O LYS A 37 -6.986 10.684 -3.179 1.00 0.00 O ATOM 569 CB LYS A 37 -5.180 10.451 -5.915 1.00 0.00 C ATOM 570 CG LYS A 37 -6.370 10.274 -6.861 1.00 0.00 C ATOM 571 CD LYS A 37 -6.014 10.722 -8.280 1.00 0.00 C ATOM 572 CE LYS A 37 -7.272 11.084 -9.072 1.00 0.00 C ATOM 573 NZ LYS A 37 -7.048 10.881 -10.521 1.00 0.00 N ATOM 0 H LYS A 37 -3.491 11.996 -4.394 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.362 12.041 -5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.297 10.740 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.951 9.501 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.678 9.228 -6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.219 10.852 -6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.347 11.583 -8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.474 9.926 -8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.109 10.470 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.543 12.123 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.911 11.131 -11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.263 11.485 -10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.812 9.884 -10.699 1.00 0.00 H new ATOM 587 N GLU A 38 -4.780 10.721 -2.685 1.00 0.00 N ATOM 588 CA GLU A 38 -4.955 10.171 -1.352 1.00 0.00 C ATOM 589 C GLU A 38 -5.399 8.709 -1.435 1.00 0.00 C ATOM 590 O GLU A 38 -6.186 8.248 -0.610 1.00 0.00 O ATOM 591 CB GLU A 38 -5.954 11.002 -0.543 1.00 0.00 C ATOM 592 CG GLU A 38 -5.231 12.017 0.344 1.00 0.00 C ATOM 593 CD GLU A 38 -6.058 12.345 1.589 1.00 0.00 C ATOM 594 OE1 GLU A 38 -7.277 12.070 1.549 1.00 0.00 O ATOM 595 OE2 GLU A 38 -5.452 12.862 2.552 1.00 0.00 O ATOM 0 H GLU A 38 -3.813 10.925 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.996 10.211 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.632 11.523 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.564 10.343 0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.261 11.619 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.041 12.929 -0.222 1.00 0.00 H new ATOM 602 N LYS A 39 -4.874 8.021 -2.438 1.00 0.00 N ATOM 603 CA LYS A 39 -5.206 6.621 -2.640 1.00 0.00 C ATOM 604 C LYS A 39 -3.971 5.877 -3.151 1.00 0.00 C ATOM 605 O LYS A 39 -3.179 6.430 -3.912 1.00 0.00 O ATOM 606 CB LYS A 39 -6.427 6.485 -3.553 1.00 0.00 C ATOM 607 CG LYS A 39 -7.049 7.853 -3.843 1.00 0.00 C ATOM 608 CD LYS A 39 -8.083 8.222 -2.777 1.00 0.00 C ATOM 609 CE LYS A 39 -9.345 8.805 -3.416 1.00 0.00 C ATOM 610 NZ LYS A 39 -10.099 9.612 -2.430 1.00 0.00 N ATOM 0 H LYS A 39 -4.221 8.407 -3.120 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.490 6.158 -1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.135 6.009 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.167 5.837 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.268 8.612 -3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.522 7.841 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.341 7.338 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.654 8.946 -2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.074 9.424 -4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.975 7.999 -3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.953 10.001 -2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.374 9.011 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.501 10.392 -2.090 1.00 0.00 H new ATOM 624 N ALA A 40 -3.845 4.633 -2.712 1.00 0.00 N ATOM 625 CA ALA A 40 -2.720 3.807 -3.115 1.00 0.00 C ATOM 626 C ALA A 40 -3.236 2.452 -3.602 1.00 0.00 C ATOM 627 O ALA A 40 -4.052 1.818 -2.934 1.00 0.00 O ATOM 628 CB ALA A 40 -1.740 3.673 -1.947 1.00 0.00 C ATOM 0 H ALA A 40 -4.504 4.177 -2.081 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.181 4.270 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.896 3.053 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.380 4.661 -1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.245 3.210 -1.100 1.00 0.00 H new ATOM 634 N VAL A 41 -2.738 2.046 -4.761 1.00 0.00 N ATOM 635 CA VAL A 41 -3.139 0.778 -5.345 1.00 0.00 C ATOM 636 C VAL A 41 -2.100 -0.290 -4.996 1.00 0.00 C ATOM 637 O VAL A 41 -0.907 0.001 -4.918 1.00 0.00 O ATOM 638 CB VAL A 41 -3.348 0.938 -6.852 1.00 0.00 C ATOM 639 CG1 VAL A 41 -3.802 -0.379 -7.486 1.00 0.00 C ATOM 640 CG2 VAL A 41 -4.342 2.062 -7.151 1.00 0.00 C ATOM 0 H VAL A 41 -2.060 2.573 -5.311 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.093 0.452 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.391 1.210 -7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.943 -0.237 -8.557 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.044 -1.144 -7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.743 -0.695 -7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.473 2.155 -8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.301 1.832 -6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.961 3.001 -6.749 1.00 0.00 H new ATOM 650 N VAL A 42 -2.591 -1.504 -4.794 1.00 0.00 N ATOM 651 CA VAL A 42 -1.720 -2.617 -4.455 1.00 0.00 C ATOM 652 C VAL A 42 -2.235 -3.887 -5.134 1.00 0.00 C ATOM 653 O VAL A 42 -3.443 -4.111 -5.205 1.00 0.00 O ATOM 654 CB VAL A 42 -1.613 -2.753 -2.935 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.826 -4.007 -2.551 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.987 -1.502 -2.315 1.00 0.00 C ATOM 0 H VAL A 42 -3.581 -1.741 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.710 -2.438 -4.824 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.622 -2.855 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.765 -4.080 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.331 -4.889 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.179 -3.948 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.923 -1.625 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.013 -1.355 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.605 -0.634 -2.545 1.00 0.00 H new ATOM 666 N LYS A 43 -1.294 -4.686 -5.616 1.00 0.00 N ATOM 667 CA LYS A 43 -1.638 -5.928 -6.287 1.00 0.00 C ATOM 668 C LYS A 43 -0.914 -7.089 -5.602 1.00 0.00 C ATOM 669 O LYS A 43 0.173 -7.483 -6.024 1.00 0.00 O ATOM 670 CB LYS A 43 -1.352 -5.824 -7.786 1.00 0.00 C ATOM 671 CG LYS A 43 -2.348 -6.660 -8.593 1.00 0.00 C ATOM 672 CD LYS A 43 -2.258 -6.331 -10.085 1.00 0.00 C ATOM 673 CE LYS A 43 -3.512 -6.799 -10.826 1.00 0.00 C ATOM 674 NZ LYS A 43 -3.194 -7.106 -12.239 1.00 0.00 N ATOM 0 H LYS A 43 -0.293 -4.497 -5.555 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.707 -6.124 -6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.409 -4.782 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.337 -6.164 -7.991 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.148 -7.720 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.360 -6.471 -8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.133 -5.256 -10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.378 -6.810 -10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.921 -7.684 -10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.279 -6.026 -10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.056 -7.422 -12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.825 -6.253 -12.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.478 -7.859 -12.278 1.00 0.00 H new ATOM 688 N PHE A 44 -1.545 -7.605 -4.558 1.00 0.00 N ATOM 689 CA PHE A 44 -0.975 -8.713 -3.811 1.00 0.00 C ATOM 690 C PHE A 44 -1.927 -9.911 -3.795 1.00 0.00 C ATOM 691 O PHE A 44 -3.014 -9.853 -4.369 1.00 0.00 O ATOM 692 CB PHE A 44 -0.764 -8.225 -2.377 1.00 0.00 C ATOM 693 CG PHE A 44 -2.048 -7.768 -1.680 1.00 0.00 C ATOM 694 CD1 PHE A 44 -2.628 -6.589 -2.029 1.00 0.00 C ATOM 695 CD2 PHE A 44 -2.607 -8.541 -0.711 1.00 0.00 C ATOM 696 CE1 PHE A 44 -3.819 -6.165 -1.382 1.00 0.00 C ATOM 697 CE2 PHE A 44 -3.798 -8.118 -0.064 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.379 -6.939 -0.413 1.00 0.00 C ATOM 0 H PHE A 44 -2.446 -7.276 -4.211 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.041 -9.032 -4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.312 -9.027 -1.794 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.054 -7.398 -2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.183 -5.975 -2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.145 -9.477 -0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.280 -5.228 -1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.242 -8.732 0.705 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.285 -6.617 0.079 1.00 0.00 H new ATOM 708 N ASP A 45 -1.486 -10.968 -3.130 1.00 0.00 N ATOM 709 CA ASP A 45 -2.285 -12.178 -3.031 1.00 0.00 C ATOM 710 C ASP A 45 -3.052 -12.170 -1.707 1.00 0.00 C ATOM 711 O ASP A 45 -2.473 -11.921 -0.651 1.00 0.00 O ATOM 712 CB ASP A 45 -1.401 -13.426 -3.057 1.00 0.00 C ATOM 713 CG ASP A 45 -2.135 -14.744 -2.801 1.00 0.00 C ATOM 714 OD1 ASP A 45 -3.250 -14.888 -3.347 1.00 0.00 O ATOM 715 OD2 ASP A 45 -1.565 -15.577 -2.063 1.00 0.00 O ATOM 0 H ASP A 45 -0.585 -11.012 -2.654 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.967 -12.202 -3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.909 -13.484 -4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.617 -13.313 -2.309 1.00 0.00 H new ATOM 720 N GLU A 46 -4.344 -12.445 -1.807 1.00 0.00 N ATOM 721 CA GLU A 46 -5.197 -12.473 -0.631 1.00 0.00 C ATOM 722 C GLU A 46 -4.951 -13.751 0.173 1.00 0.00 C ATOM 723 O GLU A 46 -5.223 -13.797 1.372 1.00 0.00 O ATOM 724 CB GLU A 46 -6.671 -12.345 -1.019 1.00 0.00 C ATOM 725 CG GLU A 46 -7.489 -11.742 0.125 1.00 0.00 C ATOM 726 CD GLU A 46 -8.372 -12.804 0.786 1.00 0.00 C ATOM 727 OE1 GLU A 46 -8.783 -13.733 0.059 1.00 0.00 O ATOM 728 OE2 GLU A 46 -8.614 -12.662 2.004 1.00 0.00 O ATOM 0 H GLU A 46 -4.821 -12.651 -2.685 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.945 -11.618 -0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.764 -11.719 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.069 -13.326 -1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.819 -11.308 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.111 -10.932 -0.255 1.00 0.00 H new ATOM 735 N ALA A 47 -4.439 -14.758 -0.519 1.00 0.00 N ATOM 736 CA ALA A 47 -4.153 -16.034 0.116 1.00 0.00 C ATOM 737 C ALA A 47 -2.755 -15.988 0.736 1.00 0.00 C ATOM 738 O ALA A 47 -2.199 -17.023 1.098 1.00 0.00 O ATOM 739 CB ALA A 47 -4.299 -17.159 -0.911 1.00 0.00 C ATOM 0 H ALA A 47 -4.215 -14.717 -1.513 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.863 -16.231 0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.085 -18.116 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.317 -17.167 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.599 -16.996 -1.731 1.00 0.00 H new ATOM 745 N ASN A 48 -2.228 -14.777 0.839 1.00 0.00 N ATOM 746 CA ASN A 48 -0.905 -14.583 1.409 1.00 0.00 C ATOM 747 C ASN A 48 -0.937 -13.388 2.364 1.00 0.00 C ATOM 748 O ASN A 48 -0.521 -13.499 3.517 1.00 0.00 O ATOM 749 CB ASN A 48 0.127 -14.289 0.318 1.00 0.00 C ATOM 750 CG ASN A 48 1.320 -15.240 0.422 1.00 0.00 C ATOM 751 OD1 ASN A 48 2.428 -14.854 0.756 1.00 0.00 O ATOM 752 ND2 ASN A 48 1.034 -16.503 0.117 1.00 0.00 N ATOM 0 H ASN A 48 -2.693 -13.920 0.538 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.626 -15.497 1.933 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.337 -14.388 -0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.470 -13.258 0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.764 -17.215 0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.085 -16.760 -0.155 1.00 0.00 H new ATOM 759 N VAL A 49 -1.434 -12.273 1.850 1.00 0.00 N ATOM 760 CA VAL A 49 -1.525 -11.059 2.643 1.00 0.00 C ATOM 761 C VAL A 49 -2.903 -10.424 2.440 1.00 0.00 C ATOM 762 O VAL A 49 -3.572 -10.691 1.443 1.00 0.00 O ATOM 763 CB VAL A 49 -0.374 -10.115 2.290 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.609 -8.721 2.875 1.00 0.00 C ATOM 765 CG2 VAL A 49 0.966 -10.687 2.755 1.00 0.00 C ATOM 0 H VAL A 49 -1.778 -12.185 0.894 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.426 -11.288 3.704 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.339 -10.020 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.224 -8.070 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.534 -8.309 2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.684 -8.790 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.767 -9.997 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.947 -10.826 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.140 -11.647 2.269 1.00 0.00 H new ATOM 775 N GLN A 50 -3.285 -9.597 3.402 1.00 0.00 N ATOM 776 CA GLN A 50 -4.571 -8.923 3.341 1.00 0.00 C ATOM 777 C GLN A 50 -4.372 -7.409 3.239 1.00 0.00 C ATOM 778 O GLN A 50 -3.446 -6.860 3.834 1.00 0.00 O ATOM 779 CB GLN A 50 -5.436 -9.281 4.551 1.00 0.00 C ATOM 780 CG GLN A 50 -5.402 -10.787 4.822 1.00 0.00 C ATOM 781 CD GLN A 50 -6.754 -11.280 5.341 1.00 0.00 C ATOM 782 OE1 GLN A 50 -7.580 -10.520 5.820 1.00 0.00 O ATOM 783 NE2 GLN A 50 -6.934 -12.593 5.220 1.00 0.00 N ATOM 0 H GLN A 50 -2.727 -9.378 4.227 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.095 -9.263 2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.081 -8.742 5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.463 -8.962 4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.144 -11.319 3.907 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.624 -11.012 5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.202 -13.172 4.810 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.804 -13.020 5.538 1.00 0.00 H new ATOM 792 N ALA A 51 -5.256 -6.778 2.480 1.00 0.00 N ATOM 793 CA ALA A 51 -5.189 -5.339 2.292 1.00 0.00 C ATOM 794 C ALA A 51 -5.240 -4.648 3.656 1.00 0.00 C ATOM 795 O ALA A 51 -4.485 -3.711 3.910 1.00 0.00 O ATOM 796 CB ALA A 51 -6.323 -4.891 1.368 1.00 0.00 C ATOM 0 H ALA A 51 -6.023 -7.237 1.988 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.250 -5.058 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.273 -3.811 1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.224 -5.388 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.282 -5.154 1.815 1.00 0.00 H new ATOM 802 N THR A 52 -6.138 -5.137 4.498 1.00 0.00 N ATOM 803 CA THR A 52 -6.298 -4.579 5.830 1.00 0.00 C ATOM 804 C THR A 52 -4.942 -4.467 6.528 1.00 0.00 C ATOM 805 O THR A 52 -4.668 -3.478 7.206 1.00 0.00 O ATOM 806 CB THR A 52 -7.303 -5.447 6.589 1.00 0.00 C ATOM 807 OG1 THR A 52 -8.468 -4.631 6.681 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.894 -5.678 8.045 1.00 0.00 C ATOM 0 H THR A 52 -6.763 -5.914 4.284 1.00 0.00 H new ATOM 0 HA THR A 52 -6.691 -3.563 5.788 1.00 0.00 H new ATOM 0 HB THR A 52 -7.407 -6.407 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.172 -5.118 7.158 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.641 -6.300 8.539 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.927 -6.179 8.076 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.823 -4.720 8.559 1.00 0.00 H new ATOM 816 N GLU A 53 -4.128 -5.496 6.338 1.00 0.00 N ATOM 817 CA GLU A 53 -2.806 -5.526 6.941 1.00 0.00 C ATOM 818 C GLU A 53 -1.931 -4.416 6.355 1.00 0.00 C ATOM 819 O GLU A 53 -1.244 -3.709 7.091 1.00 0.00 O ATOM 820 CB GLU A 53 -2.151 -6.896 6.757 1.00 0.00 C ATOM 821 CG GLU A 53 -1.630 -7.438 8.090 1.00 0.00 C ATOM 822 CD GLU A 53 -0.154 -7.828 7.984 1.00 0.00 C ATOM 823 OE1 GLU A 53 0.101 -8.965 7.531 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.685 -6.980 8.357 1.00 0.00 O ATOM 0 H GLU A 53 -4.359 -6.315 5.775 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.911 -5.352 8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.873 -7.594 6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.329 -6.817 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.756 -6.684 8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.218 -8.305 8.389 1.00 0.00 H new ATOM 831 N ILE A 54 -1.982 -4.299 5.037 1.00 0.00 N ATOM 832 CA ILE A 54 -1.202 -3.288 4.344 1.00 0.00 C ATOM 833 C ILE A 54 -1.595 -1.903 4.863 1.00 0.00 C ATOM 834 O ILE A 54 -0.745 -1.025 5.005 1.00 0.00 O ATOM 835 CB ILE A 54 -1.349 -3.442 2.829 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.758 -4.770 2.353 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.739 -2.246 2.095 1.00 0.00 C ATOM 838 CD1 ILE A 54 -1.218 -5.097 0.931 1.00 0.00 C ATOM 0 H ILE A 54 -2.552 -4.888 4.430 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.140 -3.417 4.552 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.412 -3.459 2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.330 -4.720 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.060 -5.570 3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.857 -2.380 1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.246 -1.332 2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.321 -2.172 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.783 -6.046 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.305 -5.171 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.894 -4.308 0.253 1.00 0.00 H new ATOM 850 N CYS A 55 -2.884 -1.750 5.131 1.00 0.00 N ATOM 851 CA CYS A 55 -3.400 -0.487 5.631 1.00 0.00 C ATOM 852 C CYS A 55 -2.668 -0.150 6.931 1.00 0.00 C ATOM 853 O CYS A 55 -2.303 1.002 7.162 1.00 0.00 O ATOM 854 CB CYS A 55 -4.917 -0.533 5.825 1.00 0.00 C ATOM 855 SG CYS A 55 -5.732 0.622 4.663 1.00 0.00 S ATOM 0 H CYS A 55 -3.586 -2.480 5.011 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.217 0.299 4.898 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.282 -1.546 5.659 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.169 -0.267 6.852 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.714 1.224 5.266 1.00 0.00 H new ATOM 861 N GLN A 56 -2.474 -1.176 7.747 1.00 0.00 N ATOM 862 CA GLN A 56 -1.792 -1.003 9.018 1.00 0.00 C ATOM 863 C GLN A 56 -0.332 -0.605 8.788 1.00 0.00 C ATOM 864 O GLN A 56 0.191 0.274 9.471 1.00 0.00 O ATOM 865 CB GLN A 56 -1.887 -2.271 9.869 1.00 0.00 C ATOM 866 CG GLN A 56 -2.225 -1.932 11.322 1.00 0.00 C ATOM 867 CD GLN A 56 -3.657 -1.407 11.443 1.00 0.00 C ATOM 868 OE1 GLN A 56 -4.564 -1.837 10.750 1.00 0.00 O ATOM 869 NE2 GLN A 56 -3.809 -0.456 12.361 1.00 0.00 N ATOM 0 H GLN A 56 -2.777 -2.130 7.552 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.285 -0.200 9.566 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.651 -2.932 9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.942 -2.812 9.829 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.105 -2.819 11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.527 -1.184 11.697 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.007 -0.142 12.907 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.728 -0.041 12.519 1.00 0.00 H new ATOM 878 N ALA A 57 0.284 -1.272 7.823 1.00 0.00 N ATOM 879 CA ALA A 57 1.673 -0.999 7.494 1.00 0.00 C ATOM 880 C ALA A 57 1.798 0.435 6.978 1.00 0.00 C ATOM 881 O ALA A 57 2.880 1.019 7.011 1.00 0.00 O ATOM 882 CB ALA A 57 2.169 -2.030 6.478 1.00 0.00 C ATOM 0 H ALA A 57 -0.153 -2.001 7.259 1.00 0.00 H new ATOM 0 HA ALA A 57 2.302 -1.086 8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.211 -1.825 6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.087 -3.030 6.904 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.563 -1.970 5.574 1.00 0.00 H new ATOM 888 N ILE A 58 0.675 0.963 6.511 1.00 0.00 N ATOM 889 CA ILE A 58 0.645 2.318 5.989 1.00 0.00 C ATOM 890 C ILE A 58 0.664 3.310 7.154 1.00 0.00 C ATOM 891 O ILE A 58 1.603 4.092 7.292 1.00 0.00 O ATOM 892 CB ILE A 58 -0.544 2.502 5.043 1.00 0.00 C ATOM 893 CG1 ILE A 58 -0.242 1.916 3.663 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.958 3.972 4.964 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.519 1.789 2.830 1.00 0.00 C ATOM 0 H ILE A 58 -0.221 0.476 6.484 1.00 0.00 H new ATOM 0 HA ILE A 58 1.533 2.514 5.389 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.392 1.950 5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.474 2.552 3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.223 0.936 3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.805 4.076 4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.243 4.324 5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.122 4.566 4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.276 1.370 1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.223 1.133 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.968 2.774 2.701 1.00 0.00 H new ATOM 907 N ASN A 59 -0.385 3.245 7.961 1.00 0.00 N ATOM 908 CA ASN A 59 -0.501 4.127 9.110 1.00 0.00 C ATOM 909 C ASN A 59 0.611 3.804 10.110 1.00 0.00 C ATOM 910 O ASN A 59 1.052 4.677 10.857 1.00 0.00 O ATOM 911 CB ASN A 59 -1.843 3.937 9.817 1.00 0.00 C ATOM 912 CG ASN A 59 -1.829 2.681 10.692 1.00 0.00 C ATOM 913 OD1 ASN A 59 -0.979 2.500 11.548 1.00 0.00 O ATOM 914 ND2 ASN A 59 -2.814 1.828 10.430 1.00 0.00 N ATOM 0 H ASN A 59 -1.162 2.595 7.842 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.423 5.155 8.755 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.061 4.810 10.432 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.640 3.861 9.077 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.891 0.960 10.960 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.493 2.042 9.699 1.00 0.00 H new ATOM 921 N GLU A 60 1.033 2.549 10.092 1.00 0.00 N ATOM 922 CA GLU A 60 2.085 2.100 10.988 1.00 0.00 C ATOM 923 C GLU A 60 3.276 3.059 10.932 1.00 0.00 C ATOM 924 O GLU A 60 4.081 3.110 11.860 1.00 0.00 O ATOM 925 CB GLU A 60 2.517 0.670 10.654 1.00 0.00 C ATOM 926 CG GLU A 60 1.715 -0.348 11.467 1.00 0.00 C ATOM 927 CD GLU A 60 2.552 -0.915 12.615 1.00 0.00 C ATOM 928 OE1 GLU A 60 3.674 -1.383 12.323 1.00 0.00 O ATOM 929 OE2 GLU A 60 2.051 -0.867 13.760 1.00 0.00 O ATOM 0 H GLU A 60 0.665 1.828 9.471 1.00 0.00 H new ATOM 0 HA GLU A 60 1.692 2.098 12.005 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.376 0.483 9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.580 0.550 10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.818 0.126 11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.386 -1.159 10.817 1.00 0.00 H new ATOM 936 N LEU A 61 3.349 3.797 9.834 1.00 0.00 N ATOM 937 CA LEU A 61 4.427 4.752 9.644 1.00 0.00 C ATOM 938 C LEU A 61 4.143 6.007 10.472 1.00 0.00 C ATOM 939 O LEU A 61 4.763 6.223 11.512 1.00 0.00 O ATOM 940 CB LEU A 61 4.639 5.033 8.156 1.00 0.00 C ATOM 941 CG LEU A 61 4.650 3.809 7.237 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.442 4.217 5.777 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.930 2.993 7.427 1.00 0.00 C ATOM 0 H LEU A 61 2.679 3.753 9.067 1.00 0.00 H new ATOM 0 HA LEU A 61 5.369 4.338 10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.853 5.709 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.586 5.560 8.037 1.00 0.00 H new ATOM 0 HG LEU A 61 3.814 3.167 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.454 3.329 5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.482 4.722 5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.242 4.891 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.913 2.129 6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.795 3.613 7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.995 2.654 8.461 1.00 0.00 H new ATOM 955 N GLY A 62 3.204 6.802 9.980 1.00 0.00 N ATOM 956 CA GLY A 62 2.829 8.029 10.661 1.00 0.00 C ATOM 957 C GLY A 62 1.750 8.783 9.880 1.00 0.00 C ATOM 958 O GLY A 62 1.747 10.012 9.848 1.00 0.00 O ATOM 0 H GLY A 62 2.692 6.620 9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.463 7.797 11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.706 8.665 10.782 1.00 0.00 H new ATOM 962 N TYR A 63 0.861 8.013 9.270 1.00 0.00 N ATOM 963 CA TYR A 63 -0.220 8.593 8.492 1.00 0.00 C ATOM 964 C TYR A 63 -1.500 7.766 8.630 1.00 0.00 C ATOM 965 O TYR A 63 -1.568 6.855 9.454 1.00 0.00 O ATOM 966 CB TYR A 63 0.242 8.555 7.034 1.00 0.00 C ATOM 967 CG TYR A 63 1.762 8.582 6.862 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.478 9.703 7.231 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.418 7.486 6.339 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.909 9.729 7.069 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.849 7.512 6.177 1.00 0.00 C ATOM 972 CZ TYR A 63 4.523 8.633 6.551 1.00 0.00 C ATOM 973 OH TYR A 63 5.875 8.657 6.398 1.00 0.00 O ATOM 0 H TYR A 63 0.867 6.993 9.299 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.440 9.604 8.835 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.151 7.654 6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.188 9.405 6.505 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.965 10.560 7.641 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.858 6.609 6.051 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.481 10.600 7.353 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.375 6.662 5.768 1.00 0.00 H new ATOM 0 HH TYR A 63 6.176 7.806 6.018 1.00 0.00 H new ATOM 983 N GLN A 64 -2.482 8.113 7.811 1.00 0.00 N ATOM 984 CA GLN A 64 -3.756 7.414 7.832 1.00 0.00 C ATOM 985 C GLN A 64 -3.874 6.489 6.619 1.00 0.00 C ATOM 986 O GLN A 64 -3.245 6.727 5.589 1.00 0.00 O ATOM 987 CB GLN A 64 -4.923 8.402 7.885 1.00 0.00 C ATOM 988 CG GLN A 64 -5.896 8.042 9.009 1.00 0.00 C ATOM 989 CD GLN A 64 -6.874 9.188 9.276 1.00 0.00 C ATOM 990 OE1 GLN A 64 -6.503 10.266 9.710 1.00 0.00 O ATOM 991 NE2 GLN A 64 -8.140 8.896 8.992 1.00 0.00 N ATOM 0 H GLN A 64 -2.421 8.869 7.129 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.799 6.804 8.734 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.542 9.412 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.449 8.401 6.930 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.449 7.142 8.741 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.339 7.815 9.918 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.382 7.973 8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.869 9.595 9.135 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.685 5.454 6.780 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.893 4.493 5.710 1.00 0.00 C ATOM 1002 C ALA A 65 -6.334 3.979 5.766 1.00 0.00 C ATOM 1003 O ALA A 65 -6.876 3.757 6.847 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.867 3.364 5.831 1.00 0.00 C ATOM 0 H ALA A 65 -5.206 5.260 7.635 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.747 4.963 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.023 2.643 5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.861 3.777 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.985 2.867 6.794 1.00 0.00 H new ATOM 1010 N GLU A 66 -6.912 3.806 4.586 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.278 3.323 4.486 1.00 0.00 C ATOM 1012 C GLU A 66 -8.426 2.391 3.282 1.00 0.00 C ATOM 1013 O GLU A 66 -8.278 2.820 2.139 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.267 4.488 4.402 1.00 0.00 C ATOM 1015 CG GLU A 66 -9.811 4.847 5.786 1.00 0.00 C ATOM 1016 CD GLU A 66 -11.339 4.769 5.812 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -11.847 3.634 5.934 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -11.964 5.846 5.709 1.00 0.00 O ATOM 0 H GLU A 66 -6.459 3.992 3.691 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.509 2.757 5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.775 5.357 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.092 4.222 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.396 4.168 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.490 5.853 6.057 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.715 1.133 3.580 1.00 0.00 N ATOM 1026 CA VAL A 67 -8.883 0.136 2.536 1.00 0.00 C ATOM 1027 C VAL A 67 -10.105 0.495 1.687 1.00 0.00 C ATOM 1028 O VAL A 67 -11.178 0.769 2.222 1.00 0.00 O ATOM 1029 CB VAL A 67 -8.974 -1.260 3.155 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.352 -2.303 2.101 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.667 -1.635 3.855 1.00 0.00 C ATOM 0 H VAL A 67 -8.837 0.781 4.530 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.018 0.127 1.873 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.763 -1.243 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.410 -3.287 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.320 -2.049 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.596 -2.317 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.758 -2.632 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.851 -1.626 3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.458 -0.915 4.646 1.00 0.00 H new ATOM 1041 N ILE A 68 -9.901 0.481 0.378 1.00 0.00 N ATOM 1042 CA ILE A 68 -10.973 0.801 -0.550 1.00 0.00 C ATOM 1043 C ILE A 68 -11.158 -0.360 -1.528 1.00 0.00 C ATOM 1044 O ILE A 68 -11.026 -0.184 -2.738 1.00 0.00 O ATOM 1045 CB ILE A 68 -10.707 2.144 -1.232 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -9.520 2.862 -0.587 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -11.966 3.013 -1.242 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -9.322 4.251 -1.196 1.00 0.00 C ATOM 0 H ILE A 68 -9.010 0.253 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.916 0.922 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.440 1.952 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.685 2.952 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.615 2.270 -0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.749 3.962 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.760 2.498 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.288 3.199 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.472 4.739 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.133 4.156 -2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.219 4.849 -1.038 1.00 0.00 H new