USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 597 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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 54 GLN : amide:sc= 1.93 K(o=3,f=-1.3) USER MOD Set 1.3: A 61 HIS : no HD1:sc= 1.04 K(o=3,f=-5.2!) USER MOD Single : A 2 ASN : amide:sc= 0.451 X(o=0.45,f=-0.00048) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 1.21 (180deg=0.845) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 68:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.15) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0126 K(o=-0.013,f=-2.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 160:sc= -1.17 (180deg=-1.53) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -37:sc= 1.37 USER MOD Single : A 50 THR OG1 : rot -8:sc= 0.642 USER MOD Single : A 60 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.012) USER MOD Single : A 65 TYR OH : rot -103:sc= 2.27 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN A 2 -4.825 8.282 -6.990 1.00 0.00 N ATOM 14 CA ASN A 2 -3.570 7.581 -7.213 1.00 0.00 C ATOM 15 C ASN A 2 -3.287 6.811 -5.940 1.00 0.00 C ATOM 16 O ASN A 2 -3.290 7.403 -4.860 1.00 0.00 O ATOM 17 CB ASN A 2 -2.361 8.496 -7.498 1.00 0.00 C ATOM 18 CG ASN A 2 -2.642 9.850 -8.123 1.00 0.00 C ATOM 19 OD1 ASN A 2 -2.400 10.053 -9.306 1.00 0.00 O ATOM 20 ND2 ASN A 2 -3.119 10.812 -7.356 1.00 0.00 N ATOM 0 HA ASN A 2 -3.688 6.960 -8.101 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.835 8.662 -6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.678 7.957 -8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.291 11.738 -7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.316 10.629 -6.372 1.00 0.00 H new ATOM 27 N VAL A 3 -3.059 5.510 -6.056 1.00 0.00 N ATOM 28 CA VAL A 3 -2.750 4.660 -4.924 1.00 0.00 C ATOM 29 C VAL A 3 -1.443 3.985 -5.216 1.00 0.00 C ATOM 30 O VAL A 3 -1.276 3.407 -6.284 1.00 0.00 O ATOM 31 CB VAL A 3 -3.902 3.698 -4.627 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.554 2.669 -3.541 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.045 4.581 -4.129 1.00 0.00 C ATOM 0 H VAL A 3 -3.084 5.015 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.639 5.238 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.149 3.126 -5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.409 2.014 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.699 2.075 -3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.307 3.187 -2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.909 3.960 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.729 5.115 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.314 5.300 -4.903 1.00 0.00 H new ATOM 43 N GLU A 4 -0.532 4.076 -4.263 1.00 0.00 N ATOM 44 CA GLU A 4 0.850 3.707 -4.433 1.00 0.00 C ATOM 45 C GLU A 4 1.121 2.661 -3.367 1.00 0.00 C ATOM 46 O GLU A 4 0.850 2.927 -2.193 1.00 0.00 O ATOM 47 CB GLU A 4 1.677 5.002 -4.275 1.00 0.00 C ATOM 48 CG GLU A 4 2.746 5.214 -5.344 1.00 0.00 C ATOM 49 CD GLU A 4 2.860 6.692 -5.711 1.00 0.00 C ATOM 50 OE1 GLU A 4 3.263 7.512 -4.846 1.00 0.00 O ATOM 51 OE2 GLU A 4 2.524 7.050 -6.862 1.00 0.00 O ATOM 0 H GLU A 4 -0.746 4.419 -3.326 1.00 0.00 H new ATOM 0 HA GLU A 4 1.108 3.281 -5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.997 5.854 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.158 4.992 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.707 4.850 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.499 4.632 -6.232 1.00 0.00 H new ATOM 58 N ILE A 5 1.552 1.458 -3.761 1.00 0.00 N ATOM 59 CA ILE A 5 1.616 0.328 -2.846 1.00 0.00 C ATOM 60 C ILE A 5 2.953 -0.393 -2.964 1.00 0.00 C ATOM 61 O ILE A 5 3.211 -1.128 -3.914 1.00 0.00 O ATOM 62 CB ILE A 5 0.343 -0.542 -2.940 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.347 -1.519 -1.741 1.00 0.00 C ATOM 64 CG2 ILE A 5 0.110 -1.287 -4.265 1.00 0.00 C ATOM 65 CD1 ILE A 5 -0.948 -2.323 -1.568 1.00 0.00 C ATOM 0 H ILE A 5 1.861 1.248 -4.710 1.00 0.00 H new ATOM 0 HA ILE A 5 1.603 0.678 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.500 0.148 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.178 -2.215 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.532 -0.953 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.815 -1.860 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.036 -0.566 -5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.944 -1.963 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.855 -2.981 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.783 -1.639 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.127 -2.921 -2.462 1.00 0.00 H new ATOM 77 N TYR A 6 3.829 -0.145 -1.996 1.00 0.00 N ATOM 78 CA TYR A 6 5.135 -0.779 -1.922 1.00 0.00 C ATOM 79 C TYR A 6 4.935 -2.227 -1.471 1.00 0.00 C ATOM 80 O TYR A 6 4.158 -2.458 -0.541 1.00 0.00 O ATOM 81 CB TYR A 6 6.033 0.016 -0.959 1.00 0.00 C ATOM 82 CG TYR A 6 6.425 1.423 -1.407 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.464 2.451 -1.524 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.777 1.723 -1.673 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.842 3.741 -1.939 1.00 0.00 C ATOM 86 CE2 TYR A 6 8.168 3.017 -2.058 1.00 0.00 C ATOM 87 CZ TYR A 6 7.198 4.029 -2.209 1.00 0.00 C ATOM 88 OH TYR A 6 7.576 5.272 -2.608 1.00 0.00 O ATOM 0 H TYR A 6 3.648 0.509 -1.234 1.00 0.00 H new ATOM 0 HA TYR A 6 5.632 -0.786 -2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.522 0.092 0.001 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.945 -0.556 -0.790 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.429 2.245 -1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.523 0.947 -1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.094 4.512 -2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.210 3.236 -2.238 1.00 0.00 H new ATOM 0 HH TYR A 6 8.546 5.290 -2.748 1.00 0.00 H new ATOM 98 N THR A 7 5.618 -3.194 -2.092 1.00 0.00 N ATOM 99 CA THR A 7 5.533 -4.624 -1.801 1.00 0.00 C ATOM 100 C THR A 7 6.915 -5.298 -1.954 1.00 0.00 C ATOM 101 O THR A 7 7.890 -4.647 -2.326 1.00 0.00 O ATOM 102 CB THR A 7 4.457 -5.281 -2.701 1.00 0.00 C ATOM 103 OG1 THR A 7 4.781 -5.169 -4.067 1.00 0.00 O ATOM 104 CG2 THR A 7 3.052 -4.684 -2.541 1.00 0.00 C ATOM 0 H THR A 7 6.274 -2.989 -2.845 1.00 0.00 H new ATOM 0 HA THR A 7 5.229 -4.763 -0.764 1.00 0.00 H new ATOM 0 HB THR A 7 4.446 -6.319 -2.370 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.082 -5.596 -4.605 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.359 -5.200 -3.206 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.721 -4.803 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.076 -3.624 -2.794 1.00 0.00 H new ATOM 112 N LYS A 8 7.025 -6.597 -1.636 1.00 0.00 N ATOM 113 CA LYS A 8 8.179 -7.464 -1.933 1.00 0.00 C ATOM 114 C LYS A 8 7.632 -8.773 -2.493 1.00 0.00 C ATOM 115 O LYS A 8 6.420 -8.994 -2.439 1.00 0.00 O ATOM 116 CB LYS A 8 9.164 -7.698 -0.748 1.00 0.00 C ATOM 117 CG LYS A 8 8.765 -7.068 0.586 1.00 0.00 C ATOM 118 CD LYS A 8 9.596 -7.396 1.837 1.00 0.00 C ATOM 119 CE LYS A 8 9.043 -8.603 2.612 1.00 0.00 C ATOM 120 NZ LYS A 8 8.690 -8.273 4.015 1.00 0.00 N ATOM 0 H LYS A 8 6.282 -7.094 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 8 8.804 -6.949 -2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.277 -8.772 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.142 -7.311 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.776 -5.986 0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.733 -7.354 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.626 -7.598 1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.617 -6.526 2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.159 -8.984 2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.784 -9.403 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.323 -9.122 4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.537 -7.935 4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.963 -7.530 4.024 1.00 0.00 H new ATOM 134 N GLU A 9 8.510 -9.661 -2.956 1.00 0.00 N ATOM 135 CA GLU A 9 8.129 -10.908 -3.618 1.00 0.00 C ATOM 136 C GLU A 9 7.444 -11.884 -2.651 1.00 0.00 C ATOM 137 O GLU A 9 6.586 -12.659 -3.072 1.00 0.00 O ATOM 138 CB GLU A 9 9.319 -11.526 -4.381 1.00 0.00 C ATOM 139 CG GLU A 9 10.728 -11.324 -3.798 1.00 0.00 C ATOM 140 CD GLU A 9 10.965 -12.056 -2.483 1.00 0.00 C ATOM 141 OE1 GLU A 9 10.683 -11.482 -1.404 1.00 0.00 O ATOM 142 OE2 GLU A 9 11.450 -13.213 -2.527 1.00 0.00 O ATOM 0 H GLU A 9 9.519 -9.533 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 9 7.378 -10.673 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.142 -12.598 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.314 -11.121 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.464 -11.662 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.897 -10.258 -3.644 1.00 0.00 H new ATOM 149 N THR A 10 7.783 -11.831 -1.362 1.00 0.00 N ATOM 150 CA THR A 10 7.067 -12.514 -0.291 1.00 0.00 C ATOM 151 C THR A 10 5.940 -11.576 0.194 1.00 0.00 C ATOM 152 O THR A 10 5.195 -11.040 -0.625 1.00 0.00 O ATOM 153 CB THR A 10 8.084 -13.014 0.760 1.00 0.00 C ATOM 154 OG1 THR A 10 7.397 -13.746 1.747 1.00 0.00 O ATOM 155 CG2 THR A 10 8.911 -11.924 1.460 1.00 0.00 C ATOM 0 H THR A 10 8.585 -11.297 -1.028 1.00 0.00 H new ATOM 0 HA THR A 10 6.559 -13.426 -0.606 1.00 0.00 H new ATOM 0 HB THR A 10 8.799 -13.617 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.034 -14.069 2.418 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.591 -12.386 2.176 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.487 -11.371 0.718 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.243 -11.240 1.984 1.00 0.00 H new ATOM 163 N CYS A 11 5.831 -11.329 1.504 1.00 0.00 N ATOM 164 CA CYS A 11 4.993 -10.328 2.153 1.00 0.00 C ATOM 165 C CYS A 11 3.516 -10.757 2.149 1.00 0.00 C ATOM 166 O CYS A 11 2.756 -10.341 1.269 1.00 0.00 O ATOM 167 CB CYS A 11 5.198 -8.941 1.532 1.00 0.00 C ATOM 168 SG CYS A 11 4.274 -7.620 2.342 1.00 0.00 S ATOM 0 H CYS A 11 6.368 -11.866 2.184 1.00 0.00 H new ATOM 0 HA CYS A 11 5.301 -10.253 3.196 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.260 -8.696 1.561 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.908 -8.980 0.482 1.00 0.00 H new ATOM 173 N PRO A 12 3.061 -11.513 3.164 1.00 0.00 N ATOM 174 CA PRO A 12 1.686 -11.997 3.217 1.00 0.00 C ATOM 175 C PRO A 12 0.695 -10.831 3.245 1.00 0.00 C ATOM 176 O PRO A 12 -0.334 -10.877 2.575 1.00 0.00 O ATOM 177 CB PRO A 12 1.612 -12.882 4.467 1.00 0.00 C ATOM 178 CG PRO A 12 2.753 -12.390 5.352 1.00 0.00 C ATOM 179 CD PRO A 12 3.803 -11.928 4.348 1.00 0.00 C ATOM 0 HA PRO A 12 1.412 -12.571 2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.649 -12.781 4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.731 -13.936 4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.434 -11.576 6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.134 -13.183 5.995 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.393 -11.104 4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.499 -12.733 4.112 1.00 0.00 H new ATOM 187 N TYR A 13 1.032 -9.737 3.930 1.00 0.00 N ATOM 188 CA TYR A 13 0.149 -8.587 4.057 1.00 0.00 C ATOM 189 C TYR A 13 0.079 -7.798 2.749 1.00 0.00 C ATOM 190 O TYR A 13 -0.951 -7.194 2.462 1.00 0.00 O ATOM 191 CB TYR A 13 0.644 -7.707 5.209 1.00 0.00 C ATOM 192 CG TYR A 13 0.540 -8.419 6.542 1.00 0.00 C ATOM 193 CD1 TYR A 13 -0.680 -8.430 7.240 1.00 0.00 C ATOM 194 CD2 TYR A 13 1.638 -9.139 7.042 1.00 0.00 C ATOM 195 CE1 TYR A 13 -0.810 -9.158 8.434 1.00 0.00 C ATOM 196 CE2 TYR A 13 1.510 -9.890 8.223 1.00 0.00 C ATOM 197 CZ TYR A 13 0.287 -9.899 8.925 1.00 0.00 C ATOM 198 OH TYR A 13 0.211 -10.571 10.104 1.00 0.00 O ATOM 0 H TYR A 13 1.925 -9.628 4.410 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.862 -8.931 4.275 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.680 -7.421 5.029 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.060 -6.787 5.241 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.523 -7.875 6.856 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.582 -9.115 6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.745 -9.151 8.974 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.349 -10.461 8.593 1.00 0.00 H new ATOM 0 HH TYR A 13 1.062 -11.024 10.278 1.00 0.00 H new ATOM 208 N CYS A 14 1.121 -7.842 1.914 1.00 0.00 N ATOM 209 CA CYS A 14 1.079 -7.248 0.587 1.00 0.00 C ATOM 210 C CYS A 14 0.014 -7.972 -0.229 1.00 0.00 C ATOM 211 O CYS A 14 -0.879 -7.327 -0.778 1.00 0.00 O ATOM 212 CB CYS A 14 2.447 -7.324 -0.095 1.00 0.00 C ATOM 213 SG CYS A 14 3.784 -6.442 0.760 1.00 0.00 S ATOM 0 H CYS A 14 2.009 -8.289 2.142 1.00 0.00 H new ATOM 0 HA CYS A 14 0.825 -6.191 0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.729 -8.372 -0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.355 -6.923 -1.104 1.00 0.00 H new ATOM 218 N HIS A 15 0.065 -9.308 -0.235 1.00 0.00 N ATOM 219 CA HIS A 15 -0.964 -10.126 -0.856 1.00 0.00 C ATOM 220 C HIS A 15 -2.344 -9.800 -0.296 1.00 0.00 C ATOM 221 O HIS A 15 -3.263 -9.608 -1.088 1.00 0.00 O ATOM 222 CB HIS A 15 -0.597 -11.611 -0.741 1.00 0.00 C ATOM 223 CG HIS A 15 -1.687 -12.577 -1.129 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.570 -12.425 -2.181 1.00 0.00 N ATOM 225 CD2 HIS A 15 -1.847 -13.831 -0.612 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.256 -13.575 -2.300 1.00 0.00 C ATOM 227 NE2 HIS A 15 -2.834 -14.445 -1.360 1.00 0.00 N ATOM 0 H HIS A 15 0.821 -9.845 0.191 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.015 -9.892 -1.919 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.275 -11.802 -1.367 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.302 -11.816 0.288 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.307 -14.260 0.220 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.024 -13.771 -3.033 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.183 -15.394 -1.224 1.00 0.00 H new ATOM 236 N ARG A 16 -2.506 -9.703 1.028 1.00 0.00 N ATOM 237 CA ARG A 16 -3.791 -9.360 1.629 1.00 0.00 C ATOM 238 C ARG A 16 -4.337 -8.053 1.065 1.00 0.00 C ATOM 239 O ARG A 16 -5.470 -8.030 0.589 1.00 0.00 O ATOM 240 CB ARG A 16 -3.698 -9.296 3.162 1.00 0.00 C ATOM 241 CG ARG A 16 -3.434 -10.633 3.876 1.00 0.00 C ATOM 242 CD ARG A 16 -4.655 -11.561 3.917 1.00 0.00 C ATOM 243 NE ARG A 16 -4.889 -12.296 2.661 1.00 0.00 N ATOM 244 CZ ARG A 16 -4.479 -13.538 2.372 1.00 0.00 C ATOM 245 NH1 ARG A 16 -3.584 -14.169 3.126 1.00 0.00 N ATOM 246 NH2 ARG A 16 -4.973 -14.157 1.309 1.00 0.00 N ATOM 0 H ARG A 16 -1.757 -9.859 1.703 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.490 -10.156 1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.903 -8.600 3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.629 -8.879 3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.614 -11.147 3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.107 -10.432 4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.527 -12.278 4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.541 -10.970 4.151 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.418 -11.809 1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.193 -13.707 3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.289 -15.115 2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.660 -13.687 0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.666 -15.103 1.081 1.00 0.00 H new ATOM 260 N ALA A 17 -3.549 -6.977 1.090 1.00 0.00 N ATOM 261 CA ALA A 17 -4.006 -5.692 0.583 1.00 0.00 C ATOM 262 C ALA A 17 -4.336 -5.797 -0.906 1.00 0.00 C ATOM 263 O ALA A 17 -5.434 -5.413 -1.294 1.00 0.00 O ATOM 264 CB ALA A 17 -2.947 -4.611 0.837 1.00 0.00 C ATOM 0 H ALA A 17 -2.597 -6.974 1.455 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.915 -5.407 1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.303 -3.655 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.764 -4.526 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.021 -4.883 0.331 1.00 0.00 H new ATOM 270 N LYS A 18 -3.433 -6.313 -1.752 1.00 0.00 N ATOM 271 CA LYS A 18 -3.702 -6.366 -3.191 1.00 0.00 C ATOM 272 C LYS A 18 -4.938 -7.208 -3.500 1.00 0.00 C ATOM 273 O LYS A 18 -5.692 -6.846 -4.400 1.00 0.00 O ATOM 274 CB LYS A 18 -2.494 -6.873 -3.996 1.00 0.00 C ATOM 275 CG LYS A 18 -1.294 -5.905 -3.991 1.00 0.00 C ATOM 276 CD LYS A 18 -0.484 -5.963 -5.297 1.00 0.00 C ATOM 277 CE LYS A 18 0.062 -7.361 -5.613 1.00 0.00 C ATOM 278 NZ LYS A 18 0.549 -7.452 -7.004 1.00 0.00 N ATOM 0 H LYS A 18 -2.529 -6.692 -1.470 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.896 -5.340 -3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.176 -7.834 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.803 -7.049 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.653 -4.888 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.641 -6.145 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.115 -5.632 -6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.348 -5.262 -5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.874 -7.599 -4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.720 -8.103 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.720 -8.449 -7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.165 -7.056 -7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.435 -6.916 -7.097 1.00 0.00 H new ATOM 292 N ALA A 19 -5.188 -8.280 -2.744 1.00 0.00 N ATOM 293 CA ALA A 19 -6.388 -9.088 -2.895 1.00 0.00 C ATOM 294 C ALA A 19 -7.627 -8.247 -2.596 1.00 0.00 C ATOM 295 O ALA A 19 -8.577 -8.247 -3.380 1.00 0.00 O ATOM 296 CB ALA A 19 -6.317 -10.302 -1.966 1.00 0.00 C ATOM 0 H ALA A 19 -4.560 -8.608 -2.011 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.456 -9.443 -3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.218 -10.903 -2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.444 -10.903 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.238 -9.965 -0.932 1.00 0.00 H new ATOM 302 N LEU A 20 -7.612 -7.509 -1.482 1.00 0.00 N ATOM 303 CA LEU A 20 -8.712 -6.648 -1.057 1.00 0.00 C ATOM 304 C LEU A 20 -9.013 -5.607 -2.139 1.00 0.00 C ATOM 305 O LEU A 20 -10.167 -5.407 -2.522 1.00 0.00 O ATOM 306 CB LEU A 20 -8.345 -5.967 0.274 1.00 0.00 C ATOM 307 CG LEU A 20 -9.584 -5.464 1.040 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.103 -6.542 1.991 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.244 -4.225 1.869 1.00 0.00 C ATOM 0 H LEU A 20 -6.819 -7.495 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.609 -7.249 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.796 -6.671 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.678 -5.128 0.077 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.346 -5.218 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.978 -6.168 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.377 -7.429 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.324 -6.799 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.134 -3.888 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.463 -4.472 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.893 -3.431 1.210 1.00 0.00 H new ATOM 321 N LEU A 21 -7.964 -4.970 -2.659 1.00 0.00 N ATOM 322 CA LEU A 21 -8.054 -3.908 -3.649 1.00 0.00 C ATOM 323 C LEU A 21 -8.547 -4.439 -4.987 1.00 0.00 C ATOM 324 O LEU A 21 -9.429 -3.839 -5.601 1.00 0.00 O ATOM 325 CB LEU A 21 -6.670 -3.256 -3.824 1.00 0.00 C ATOM 326 CG LEU A 21 -6.134 -2.480 -2.607 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.757 -1.903 -2.941 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.059 -1.354 -2.161 1.00 0.00 C ATOM 0 H LEU A 21 -7.004 -5.188 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.773 -3.168 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.952 -4.036 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.715 -2.575 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.070 -3.187 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.375 -1.353 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.072 -2.715 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.842 -1.230 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.625 -0.846 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.185 -0.642 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.030 -1.767 -1.887 1.00 0.00 H new ATOM 340 N SER A 22 -8.009 -5.566 -5.446 1.00 0.00 N ATOM 341 CA SER A 22 -8.421 -6.158 -6.706 1.00 0.00 C ATOM 342 C SER A 22 -9.842 -6.710 -6.587 1.00 0.00 C ATOM 343 O SER A 22 -10.585 -6.668 -7.565 1.00 0.00 O ATOM 344 CB SER A 22 -7.383 -7.200 -7.131 1.00 0.00 C ATOM 345 OG SER A 22 -7.506 -7.572 -8.492 1.00 0.00 O ATOM 0 H SER A 22 -7.282 -6.087 -4.956 1.00 0.00 H new ATOM 0 HA SER A 22 -8.459 -5.408 -7.496 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.383 -6.803 -6.956 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.487 -8.087 -6.506 1.00 0.00 H new ATOM 0 HG SER A 22 -6.821 -8.237 -8.713 1.00 0.00 H new ATOM 351 N SER A 23 -10.285 -7.111 -5.390 1.00 0.00 N ATOM 352 CA SER A 23 -11.686 -7.439 -5.157 1.00 0.00 C ATOM 353 C SER A 23 -12.547 -6.194 -5.361 1.00 0.00 C ATOM 354 O SER A 23 -13.581 -6.279 -6.023 1.00 0.00 O ATOM 355 CB SER A 23 -11.901 -8.015 -3.757 1.00 0.00 C ATOM 356 OG SER A 23 -11.069 -9.142 -3.535 1.00 0.00 O ATOM 0 H SER A 23 -9.688 -7.215 -4.570 1.00 0.00 H new ATOM 0 HA SER A 23 -11.982 -8.204 -5.875 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.690 -7.250 -3.009 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.946 -8.301 -3.634 1.00 0.00 H new ATOM 0 HG SER A 23 -10.132 -8.856 -3.505 1.00 0.00 H new ATOM 362 N LYS A 24 -12.108 -5.022 -4.876 1.00 0.00 N ATOM 363 CA LYS A 24 -12.837 -3.784 -5.128 1.00 0.00 C ATOM 364 C LYS A 24 -12.643 -3.299 -6.566 1.00 0.00 C ATOM 365 O LYS A 24 -13.320 -2.361 -6.978 1.00 0.00 O ATOM 366 CB LYS A 24 -12.431 -2.730 -4.087 1.00 0.00 C ATOM 367 CG LYS A 24 -13.216 -2.859 -2.776 1.00 0.00 C ATOM 368 CD LYS A 24 -14.674 -2.407 -2.915 1.00 0.00 C ATOM 369 CE LYS A 24 -15.357 -2.464 -1.549 1.00 0.00 C ATOM 370 NZ LYS A 24 -16.707 -1.877 -1.609 1.00 0.00 N ATOM 0 H LYS A 24 -11.263 -4.913 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.906 -3.969 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.365 -2.823 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.588 -1.735 -4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.191 -3.896 -2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.727 -2.265 -2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.715 -1.393 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.199 -3.048 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.421 -3.499 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.756 -1.928 -0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.310 -2.318 -0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.649 -0.854 -1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.117 -2.044 -2.550 1.00 0.00 H new ATOM 384 N GLY A 25 -11.772 -3.938 -7.346 1.00 0.00 N ATOM 385 CA GLY A 25 -11.616 -3.676 -8.769 1.00 0.00 C ATOM 386 C GLY A 25 -10.971 -2.322 -9.006 1.00 0.00 C ATOM 387 O GLY A 25 -11.245 -1.679 -10.016 1.00 0.00 O ATOM 0 H GLY A 25 -11.146 -4.664 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.006 -4.458 -9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.590 -3.709 -9.257 1.00 0.00 H new ATOM 391 N VAL A 26 -10.172 -1.849 -8.057 1.00 0.00 N ATOM 392 CA VAL A 26 -9.620 -0.501 -8.089 1.00 0.00 C ATOM 393 C VAL A 26 -8.415 -0.438 -9.031 1.00 0.00 C ATOM 394 O VAL A 26 -7.917 -1.474 -9.486 1.00 0.00 O ATOM 395 CB VAL A 26 -9.266 -0.066 -6.656 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.389 -0.378 -5.655 1.00 0.00 C ATOM 397 CG2 VAL A 26 -7.947 -0.691 -6.188 1.00 0.00 C ATOM 0 H VAL A 26 -9.888 -2.392 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.360 0.196 -8.481 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.144 1.017 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.090 -0.052 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.297 0.147 -5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.578 -1.451 -5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.729 -0.362 -5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.032 -1.777 -6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.141 -0.379 -6.852 1.00 0.00 H new ATOM 407 N SER A 27 -7.919 0.766 -9.287 1.00 0.00 N ATOM 408 CA SER A 27 -6.653 1.007 -9.951 1.00 0.00 C ATOM 409 C SER A 27 -5.657 1.374 -8.861 1.00 0.00 C ATOM 410 O SER A 27 -5.953 2.226 -8.022 1.00 0.00 O ATOM 411 CB SER A 27 -6.786 2.138 -10.973 1.00 0.00 C ATOM 412 OG SER A 27 -7.502 1.691 -12.108 1.00 0.00 O ATOM 0 H SER A 27 -8.405 1.625 -9.029 1.00 0.00 H new ATOM 0 HA SER A 27 -6.322 0.125 -10.500 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.299 2.987 -10.522 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.797 2.486 -11.272 1.00 0.00 H new ATOM 0 HG SER A 27 -7.582 2.424 -12.754 1.00 0.00 H new ATOM 418 N PHE A 28 -4.483 0.754 -8.852 1.00 0.00 N ATOM 419 CA PHE A 28 -3.375 1.131 -7.980 1.00 0.00 C ATOM 420 C PHE A 28 -2.060 1.007 -8.765 1.00 0.00 C ATOM 421 O PHE A 28 -2.043 0.531 -9.904 1.00 0.00 O ATOM 422 CB PHE A 28 -3.421 0.304 -6.680 1.00 0.00 C ATOM 423 CG PHE A 28 -3.311 -1.205 -6.842 1.00 0.00 C ATOM 424 CD1 PHE A 28 -2.091 -1.817 -7.191 1.00 0.00 C ATOM 425 CD2 PHE A 28 -4.452 -2.008 -6.652 1.00 0.00 C ATOM 426 CE1 PHE A 28 -2.032 -3.209 -7.383 1.00 0.00 C ATOM 427 CE2 PHE A 28 -4.388 -3.400 -6.819 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.178 -4.001 -7.199 1.00 0.00 C ATOM 0 H PHE A 28 -4.270 -0.037 -9.459 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.454 2.171 -7.665 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.612 0.639 -6.031 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.355 0.526 -6.165 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.201 -1.217 -7.311 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.388 -1.547 -6.374 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.100 -3.672 -7.674 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.267 -4.006 -6.656 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.128 -5.069 -7.350 1.00 0.00 H new ATOM 438 N GLN A 29 -0.960 1.445 -8.171 1.00 0.00 N ATOM 439 CA GLN A 29 0.397 1.438 -8.683 1.00 0.00 C ATOM 440 C GLN A 29 1.221 0.717 -7.645 1.00 0.00 C ATOM 441 O GLN A 29 1.159 1.071 -6.472 1.00 0.00 O ATOM 442 CB GLN A 29 0.862 2.885 -8.901 1.00 0.00 C ATOM 443 CG GLN A 29 2.334 3.226 -8.635 1.00 0.00 C ATOM 444 CD GLN A 29 3.330 2.524 -9.546 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.990 1.619 -10.306 1.00 0.00 O ATOM 446 NE2 GLN A 29 4.581 2.932 -9.480 1.00 0.00 N ATOM 0 H GLN A 29 -1.001 1.850 -7.236 1.00 0.00 H new ATOM 0 HA GLN A 29 0.490 0.935 -9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.641 3.153 -9.934 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.252 3.529 -8.267 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.466 4.303 -8.738 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.569 2.973 -7.601 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.839 3.685 -8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.292 2.495 -10.067 1.00 0.00 H new ATOM 455 N GLU A 30 1.958 -0.302 -8.057 1.00 0.00 N ATOM 456 CA GLU A 30 2.657 -1.184 -7.137 1.00 0.00 C ATOM 457 C GLU A 30 4.166 -1.079 -7.334 1.00 0.00 C ATOM 458 O GLU A 30 4.651 -0.968 -8.464 1.00 0.00 O ATOM 459 CB GLU A 30 2.084 -2.601 -7.197 1.00 0.00 C ATOM 460 CG GLU A 30 2.332 -3.331 -8.524 1.00 0.00 C ATOM 461 CD GLU A 30 1.969 -4.808 -8.406 1.00 0.00 C ATOM 462 OE1 GLU A 30 2.455 -5.492 -7.473 1.00 0.00 O ATOM 463 OE2 GLU A 30 1.190 -5.321 -9.241 1.00 0.00 O ATOM 0 H GLU A 30 2.088 -0.541 -9.040 1.00 0.00 H new ATOM 0 HA GLU A 30 2.486 -0.863 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.516 -3.189 -6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.010 -2.553 -7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.741 -2.869 -9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.379 -3.231 -8.809 1.00 0.00 H new ATOM 470 N LEU A 31 4.904 -1.091 -6.225 1.00 0.00 N ATOM 471 CA LEU A 31 6.325 -0.769 -6.177 1.00 0.00 C ATOM 472 C LEU A 31 7.120 -1.911 -5.538 1.00 0.00 C ATOM 473 O LEU A 31 6.918 -2.167 -4.351 1.00 0.00 O ATOM 474 CB LEU A 31 6.513 0.536 -5.398 1.00 0.00 C ATOM 475 CG LEU A 31 5.843 1.708 -6.133 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.579 2.187 -5.423 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.860 2.827 -6.276 1.00 0.00 C ATOM 0 H LEU A 31 4.518 -1.332 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 31 6.703 -0.639 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.087 0.434 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.576 0.740 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 31 5.521 1.374 -7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.141 3.016 -5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.861 1.369 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.831 2.519 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.404 3.669 -6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.191 3.147 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.717 2.469 -6.847 1.00 0.00 H new ATOM 489 N PRO A 32 8.039 -2.583 -6.254 1.00 0.00 N ATOM 490 CA PRO A 32 8.908 -3.583 -5.650 1.00 0.00 C ATOM 491 C PRO A 32 9.884 -2.891 -4.705 1.00 0.00 C ATOM 492 O PRO A 32 10.365 -1.795 -5.010 1.00 0.00 O ATOM 493 CB PRO A 32 9.680 -4.238 -6.800 1.00 0.00 C ATOM 494 CG PRO A 32 9.575 -3.257 -7.971 1.00 0.00 C ATOM 495 CD PRO A 32 8.472 -2.264 -7.601 1.00 0.00 C ATOM 0 HA PRO A 32 8.341 -4.322 -5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.720 -4.412 -6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.252 -5.206 -7.059 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.522 -2.743 -8.134 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.333 -3.780 -8.896 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.843 -1.240 -7.653 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.639 -2.337 -8.300 1.00 0.00 H new ATOM 503 N ILE A 33 10.250 -3.549 -3.609 1.00 0.00 N ATOM 504 CA ILE A 33 11.328 -3.125 -2.712 1.00 0.00 C ATOM 505 C ILE A 33 12.357 -4.244 -2.529 1.00 0.00 C ATOM 506 O ILE A 33 13.445 -4.005 -2.009 1.00 0.00 O ATOM 507 CB ILE A 33 10.765 -2.561 -1.390 1.00 0.00 C ATOM 508 CG1 ILE A 33 10.173 -3.640 -0.455 1.00 0.00 C ATOM 509 CG2 ILE A 33 9.719 -1.471 -1.682 1.00 0.00 C ATOM 510 CD1 ILE A 33 11.092 -3.972 0.719 1.00 0.00 C ATOM 0 H ILE A 33 9.797 -4.412 -3.310 1.00 0.00 H new ATOM 0 HA ILE A 33 11.869 -2.298 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 33 11.611 -2.130 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.212 -3.296 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.982 -4.547 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.329 -1.080 -0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.184 -0.662 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.902 -1.897 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.625 -4.735 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.044 -4.344 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.263 -3.074 1.313 1.00 0.00 H new ATOM 575 N LYS A 39 14.386 3.049 -3.760 1.00 0.00 N ATOM 576 CA LYS A 39 13.086 3.468 -3.249 1.00 0.00 C ATOM 577 C LYS A 39 12.727 2.809 -1.921 1.00 0.00 C ATOM 578 O LYS A 39 11.780 3.243 -1.278 1.00 0.00 O ATOM 579 CB LYS A 39 12.041 3.328 -4.358 1.00 0.00 C ATOM 580 CG LYS A 39 11.989 4.610 -5.217 1.00 0.00 C ATOM 581 CD LYS A 39 11.834 4.288 -6.704 1.00 0.00 C ATOM 582 CE LYS A 39 10.524 3.554 -6.988 1.00 0.00 C ATOM 583 NZ LYS A 39 10.500 2.996 -8.356 1.00 0.00 N ATOM 0 HA LYS A 39 13.121 4.524 -2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.282 2.471 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.061 3.136 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.156 5.233 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.900 5.189 -5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.867 5.212 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.673 3.676 -7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.392 2.750 -6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.686 4.240 -6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.597 2.505 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.601 3.767 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.285 2.323 -8.470 1.00 0.00 H new ATOM 597 N ARG A 40 13.465 1.798 -1.467 1.00 0.00 N ATOM 598 CA ARG A 40 13.335 1.265 -0.105 1.00 0.00 C ATOM 599 C ARG A 40 13.956 2.226 0.906 1.00 0.00 C ATOM 600 O ARG A 40 13.480 2.329 2.036 1.00 0.00 O ATOM 601 CB ARG A 40 14.023 -0.099 -0.055 1.00 0.00 C ATOM 602 CG ARG A 40 13.702 -0.971 1.162 1.00 0.00 C ATOM 603 CD ARG A 40 14.466 -2.285 0.976 1.00 0.00 C ATOM 604 NE ARG A 40 14.083 -3.321 1.942 1.00 0.00 N ATOM 605 CZ ARG A 40 14.367 -4.622 1.797 1.00 0.00 C ATOM 606 NH1 ARG A 40 15.134 -5.067 0.809 1.00 0.00 N ATOM 607 NH2 ARG A 40 13.860 -5.506 2.641 1.00 0.00 N ATOM 0 H ARG A 40 14.171 1.323 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 40 12.282 1.154 0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.753 -0.653 -0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.101 0.059 -0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.004 -0.475 2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.630 -1.154 1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.293 -2.658 -0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.535 -2.092 1.066 1.00 0.00 H new ATOM 0 HE ARG A 40 13.569 -3.033 2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.526 -4.412 0.133 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.331 -6.064 0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.254 -5.196 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.075 -6.497 2.532 1.00 0.00 H new ATOM 621 N GLU A 41 15.007 2.932 0.512 1.00 0.00 N ATOM 622 CA GLU A 41 15.583 4.038 1.260 1.00 0.00 C ATOM 623 C GLU A 41 14.625 5.225 1.194 1.00 0.00 C ATOM 624 O GLU A 41 14.326 5.833 2.221 1.00 0.00 O ATOM 625 CB GLU A 41 16.953 4.395 0.680 1.00 0.00 C ATOM 626 CG GLU A 41 17.992 3.316 1.007 1.00 0.00 C ATOM 627 CD GLU A 41 19.264 3.495 0.182 1.00 0.00 C ATOM 628 OE1 GLU A 41 19.830 4.614 0.159 1.00 0.00 O ATOM 629 OE2 GLU A 41 19.740 2.501 -0.410 1.00 0.00 O ATOM 0 H GLU A 41 15.496 2.744 -0.363 1.00 0.00 H new ATOM 0 HA GLU A 41 15.726 3.759 2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.874 4.512 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.282 5.354 1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 41 18.237 3.355 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.568 2.331 0.814 1.00 0.00 H new ATOM 636 N GLU A 42 14.060 5.513 0.018 1.00 0.00 N ATOM 637 CA GLU A 42 13.053 6.563 -0.097 1.00 0.00 C ATOM 638 C GLU A 42 11.817 6.217 0.751 1.00 0.00 C ATOM 639 O GLU A 42 11.200 7.096 1.348 1.00 0.00 O ATOM 640 CB GLU A 42 12.713 6.824 -1.570 1.00 0.00 C ATOM 641 CG GLU A 42 12.129 8.230 -1.734 1.00 0.00 C ATOM 642 CD GLU A 42 11.851 8.587 -3.195 1.00 0.00 C ATOM 643 OE1 GLU A 42 12.811 8.676 -3.997 1.00 0.00 O ATOM 644 OE2 GLU A 42 10.677 8.861 -3.530 1.00 0.00 O ATOM 0 H GLU A 42 14.282 5.038 -0.857 1.00 0.00 H new ATOM 0 HA GLU A 42 13.456 7.495 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.609 6.720 -2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.998 6.081 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.203 8.303 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.822 8.958 -1.312 1.00 0.00 H new ATOM 651 N MET A 43 11.494 4.929 0.912 1.00 0.00 N ATOM 652 CA MET A 43 10.439 4.454 1.785 1.00 0.00 C ATOM 653 C MET A 43 10.696 4.795 3.250 1.00 0.00 C ATOM 654 O MET A 43 9.738 4.840 4.018 1.00 0.00 O ATOM 655 CB MET A 43 10.164 2.955 1.561 1.00 0.00 C ATOM 656 CG MET A 43 8.966 2.409 2.335 1.00 0.00 C ATOM 657 SD MET A 43 8.360 0.790 1.785 1.00 0.00 S ATOM 658 CE MET A 43 9.860 -0.216 1.759 1.00 0.00 C ATOM 0 H MET A 43 11.977 4.176 0.422 1.00 0.00 H new ATOM 0 HA MET A 43 9.528 4.989 1.516 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.002 2.783 0.497 1.00 0.00 H new ATOM 0 HB3 MET A 43 11.052 2.389 1.844 1.00 0.00 H new ATOM 0 HG2 MET A 43 9.237 2.338 3.389 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.150 3.128 2.263 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.591 -1.272 1.791 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.419 -0.012 0.846 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.476 0.027 2.624 1.00 0.00 H new ATOM 668 N ILE A 44 11.929 5.090 3.661 1.00 0.00 N ATOM 669 CA ILE A 44 12.184 5.648 4.990 1.00 0.00 C ATOM 670 C ILE A 44 11.497 7.011 5.003 1.00 0.00 C ATOM 671 O ILE A 44 10.595 7.264 5.794 1.00 0.00 O ATOM 672 CB ILE A 44 13.700 5.799 5.311 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.557 4.532 5.106 1.00 0.00 C ATOM 674 CG2 ILE A 44 13.859 6.275 6.764 1.00 0.00 C ATOM 675 CD1 ILE A 44 16.062 4.816 4.994 1.00 0.00 C ATOM 0 H ILE A 44 12.766 4.952 3.094 1.00 0.00 H new ATOM 0 HA ILE A 44 11.798 4.975 5.756 1.00 0.00 H new ATOM 0 HB ILE A 44 14.075 6.524 4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.386 3.850 5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.224 4.021 4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.918 6.383 6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.360 7.236 6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.412 5.544 7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.600 3.879 4.851 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.246 5.473 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.410 5.298 5.907 1.00 0.00 H new ATOM 687 N LYS A 45 11.902 7.864 4.068 1.00 0.00 N ATOM 688 CA LYS A 45 11.544 9.270 3.984 1.00 0.00 C ATOM 689 C LYS A 45 10.042 9.441 3.794 1.00 0.00 C ATOM 690 O LYS A 45 9.462 10.397 4.301 1.00 0.00 O ATOM 691 CB LYS A 45 12.385 9.921 2.866 1.00 0.00 C ATOM 692 CG LYS A 45 13.894 9.713 3.121 1.00 0.00 C ATOM 693 CD LYS A 45 14.786 10.034 1.926 1.00 0.00 C ATOM 694 CE LYS A 45 16.227 9.612 2.236 1.00 0.00 C ATOM 695 NZ LYS A 45 17.078 9.652 1.033 1.00 0.00 N ATOM 0 H LYS A 45 12.521 7.575 3.310 1.00 0.00 H new ATOM 0 HA LYS A 45 11.774 9.782 4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.112 9.491 1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.164 10.987 2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.197 10.336 3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.061 8.677 3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.426 9.512 1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.747 11.101 1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.643 10.271 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.230 8.604 2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.045 9.360 1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.695 9.004 0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.096 10.620 0.652 1.00 0.00 H new ATOM 709 N ARG A 46 9.395 8.496 3.114 1.00 0.00 N ATOM 710 CA ARG A 46 7.996 8.529 2.763 1.00 0.00 C ATOM 711 C ARG A 46 7.117 7.779 3.761 1.00 0.00 C ATOM 712 O ARG A 46 6.029 8.272 4.057 1.00 0.00 O ATOM 713 CB ARG A 46 7.894 7.954 1.347 1.00 0.00 C ATOM 714 CG ARG A 46 8.535 8.901 0.320 1.00 0.00 C ATOM 715 CD ARG A 46 8.396 8.440 -1.131 1.00 0.00 C ATOM 716 NE ARG A 46 7.116 8.828 -1.744 1.00 0.00 N ATOM 717 CZ ARG A 46 6.950 9.135 -3.041 1.00 0.00 C ATOM 718 NH1 ARG A 46 7.958 9.088 -3.907 1.00 0.00 N ATOM 719 NH2 ARG A 46 5.761 9.504 -3.498 1.00 0.00 N ATOM 0 H ARG A 46 9.863 7.652 2.783 1.00 0.00 H new ATOM 0 HA ARG A 46 7.620 9.551 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.387 6.983 1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.847 7.790 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.083 9.888 0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.594 9.010 0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.214 8.858 -1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.497 7.355 -1.172 1.00 0.00 H new ATOM 0 HE ARG A 46 6.295 8.867 -1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.888 8.813 -3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.801 9.327 -4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.964 9.556 -2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.643 9.736 -4.484 1.00 0.00 H new ATOM 733 N SER A 47 7.523 6.606 4.273 1.00 0.00 N ATOM 734 CA SER A 47 6.638 5.799 5.122 1.00 0.00 C ATOM 735 C SER A 47 6.994 5.903 6.604 1.00 0.00 C ATOM 736 O SER A 47 6.123 5.691 7.449 1.00 0.00 O ATOM 737 CB SER A 47 6.601 4.326 4.685 1.00 0.00 C ATOM 738 OG SER A 47 7.762 3.599 5.046 1.00 0.00 O ATOM 0 H SER A 47 8.446 6.201 4.116 1.00 0.00 H new ATOM 0 HA SER A 47 5.640 6.218 4.990 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.729 3.846 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.475 4.279 3.603 1.00 0.00 H new ATOM 0 HG SER A 47 8.549 4.176 4.961 1.00 0.00 H new ATOM 744 N GLY A 48 8.256 6.189 6.931 1.00 0.00 N ATOM 745 CA GLY A 48 8.778 6.100 8.283 1.00 0.00 C ATOM 746 C GLY A 48 8.659 4.688 8.852 1.00 0.00 C ATOM 747 O GLY A 48 8.391 4.557 10.049 1.00 0.00 O ATOM 0 H GLY A 48 8.950 6.493 6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.824 6.406 8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.239 6.796 8.926 1.00 0.00 H new ATOM 751 N ARG A 49 8.777 3.635 8.025 1.00 0.00 N ATOM 752 CA ARG A 49 8.622 2.244 8.435 1.00 0.00 C ATOM 753 C ARG A 49 9.579 1.285 7.709 1.00 0.00 C ATOM 754 O ARG A 49 10.231 0.491 8.372 1.00 0.00 O ATOM 755 CB ARG A 49 7.161 1.845 8.220 1.00 0.00 C ATOM 756 CG ARG A 49 6.215 2.377 9.311 1.00 0.00 C ATOM 757 CD ARG A 49 4.888 1.621 9.248 1.00 0.00 C ATOM 758 NE ARG A 49 3.992 1.934 10.375 1.00 0.00 N ATOM 759 CZ ARG A 49 3.931 1.277 11.540 1.00 0.00 C ATOM 760 NH1 ARG A 49 4.888 0.420 11.877 1.00 0.00 N ATOM 761 NH2 ARG A 49 2.941 1.473 12.398 1.00 0.00 N ATOM 0 H ARG A 49 8.988 3.738 7.032 1.00 0.00 H new ATOM 0 HA ARG A 49 8.889 2.163 9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.830 2.216 7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.090 0.758 8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.670 2.253 10.294 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.045 3.444 9.171 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.383 1.862 8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.087 0.549 9.236 1.00 0.00 H new ATOM 0 HE ARG A 49 3.359 2.725 10.257 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.674 0.260 11.247 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.837 -0.078 12.766 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.200 2.138 12.178 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.920 0.958 13.278 1.00 0.00 H new ATOM 775 N THR A 50 9.630 1.293 6.373 1.00 0.00 N ATOM 776 CA THR A 50 10.421 0.427 5.480 1.00 0.00 C ATOM 777 C THR A 50 10.000 -1.042 5.445 1.00 0.00 C ATOM 778 O THR A 50 10.614 -1.878 4.776 1.00 0.00 O ATOM 779 CB THR A 50 11.942 0.670 5.503 1.00 0.00 C ATOM 780 OG1 THR A 50 12.597 0.433 6.733 1.00 0.00 O ATOM 781 CG2 THR A 50 12.229 2.105 5.102 1.00 0.00 C ATOM 0 H THR A 50 9.073 1.961 5.839 1.00 0.00 H new ATOM 0 HA THR A 50 10.131 0.784 4.492 1.00 0.00 H new ATOM 0 HB THR A 50 12.339 -0.065 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.931 0.257 7.430 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.305 2.279 5.118 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.847 2.285 4.097 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.742 2.783 5.803 1.00 0.00 H new ATOM 789 N THR A 51 8.917 -1.342 6.137 1.00 0.00 N ATOM 790 CA THR A 51 8.183 -2.591 6.075 1.00 0.00 C ATOM 791 C THR A 51 7.288 -2.479 4.845 1.00 0.00 C ATOM 792 O THR A 51 7.260 -1.433 4.193 1.00 0.00 O ATOM 793 CB THR A 51 7.413 -2.715 7.401 1.00 0.00 C ATOM 794 OG1 THR A 51 6.463 -1.676 7.551 1.00 0.00 O ATOM 795 CG2 THR A 51 8.389 -2.561 8.574 1.00 0.00 C ATOM 0 H THR A 51 8.503 -0.682 6.795 1.00 0.00 H new ATOM 0 HA THR A 51 8.793 -3.488 5.972 1.00 0.00 H new ATOM 0 HB THR A 51 6.918 -3.686 7.392 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.990 -1.785 8.403 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.845 -2.649 9.514 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.148 -3.341 8.520 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.869 -1.584 8.522 1.00 0.00 H new ATOM 803 N VAL A 52 6.559 -3.530 4.508 1.00 0.00 N ATOM 804 CA VAL A 52 5.505 -3.416 3.499 1.00 0.00 C ATOM 805 C VAL A 52 4.291 -4.274 3.895 1.00 0.00 C ATOM 806 O VAL A 52 4.455 -5.201 4.691 1.00 0.00 O ATOM 807 CB VAL A 52 6.041 -3.755 2.097 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.726 -2.569 1.413 1.00 0.00 C ATOM 809 CG2 VAL A 52 6.965 -4.951 2.051 1.00 0.00 C ATOM 0 H VAL A 52 6.670 -4.462 4.908 1.00 0.00 H new ATOM 0 HA VAL A 52 5.167 -2.381 3.456 1.00 0.00 H new ATOM 0 HB VAL A 52 5.138 -4.015 1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.082 -2.873 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.014 -1.751 1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.570 -2.238 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.294 -5.117 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.832 -4.766 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.436 -5.834 2.409 1.00 0.00 H new ATOM 819 N PRO A 53 3.090 -4.025 3.340 1.00 0.00 N ATOM 820 CA PRO A 53 2.798 -2.977 2.372 1.00 0.00 C ATOM 821 C PRO A 53 2.882 -1.585 2.991 1.00 0.00 C ATOM 822 O PRO A 53 2.851 -1.435 4.214 1.00 0.00 O ATOM 823 CB PRO A 53 1.410 -3.298 1.813 1.00 0.00 C ATOM 824 CG PRO A 53 0.736 -4.019 2.973 1.00 0.00 C ATOM 825 CD PRO A 53 1.884 -4.769 3.649 1.00 0.00 C ATOM 0 HA PRO A 53 3.537 -2.958 1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.870 -2.395 1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.468 -3.927 0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.258 -3.318 3.657 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.038 -4.702 2.624 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.729 -4.829 4.726 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.952 -5.792 3.279 1.00 0.00 H new ATOM 833 N GLN A 54 3.035 -0.584 2.130 1.00 0.00 N ATOM 834 CA GLN A 54 2.903 0.824 2.458 1.00 0.00 C ATOM 835 C GLN A 54 1.963 1.331 1.394 1.00 0.00 C ATOM 836 O GLN A 54 2.390 1.493 0.250 1.00 0.00 O ATOM 837 CB GLN A 54 4.212 1.626 2.417 1.00 0.00 C ATOM 838 CG GLN A 54 5.320 1.130 3.332 1.00 0.00 C ATOM 839 CD GLN A 54 4.994 1.153 4.817 1.00 0.00 C ATOM 840 OE1 GLN A 54 4.113 1.865 5.298 1.00 0.00 O ATOM 841 NE2 GLN A 54 5.781 0.409 5.562 1.00 0.00 N ATOM 0 H GLN A 54 3.263 -0.741 1.148 1.00 0.00 H new ATOM 0 HA GLN A 54 2.560 0.943 3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.585 1.625 1.393 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.990 2.662 2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.574 0.109 3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.209 1.738 3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.500 -0.168 5.126 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.673 0.409 6.576 1.00 0.00 H new ATOM 850 N ILE A 55 0.689 1.469 1.736 1.00 0.00 N ATOM 851 CA ILE A 55 -0.262 2.108 0.858 1.00 0.00 C ATOM 852 C ILE A 55 -0.180 3.603 1.147 1.00 0.00 C ATOM 853 O ILE A 55 -0.082 4.046 2.299 1.00 0.00 O ATOM 854 CB ILE A 55 -1.698 1.582 1.033 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.833 0.048 1.179 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.539 1.982 -0.189 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.502 -0.535 2.554 1.00 0.00 C ATOM 0 H ILE A 55 0.297 1.144 2.619 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.011 1.885 -0.179 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.040 2.029 1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.856 -0.231 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.183 -0.424 0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.557 1.611 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.557 3.068 -0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.101 1.551 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.634 -1.617 2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.469 -0.300 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.168 -0.104 3.302 1.00 0.00 H new ATOM 869 N PHE A 56 -0.281 4.367 0.080 1.00 0.00 N ATOM 870 CA PHE A 56 -0.377 5.795 -0.007 1.00 0.00 C ATOM 871 C PHE A 56 -1.574 6.062 -0.913 1.00 0.00 C ATOM 872 O PHE A 56 -1.698 5.375 -1.927 1.00 0.00 O ATOM 873 CB PHE A 56 0.900 6.306 -0.664 1.00 0.00 C ATOM 874 CG PHE A 56 2.168 6.164 0.156 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.910 4.967 0.106 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.640 7.240 0.930 1.00 0.00 C ATOM 877 CE1 PHE A 56 4.101 4.839 0.840 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.833 7.109 1.661 1.00 0.00 C ATOM 879 CZ PHE A 56 4.553 5.904 1.638 1.00 0.00 C ATOM 0 H PHE A 56 -0.299 3.946 -0.849 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.497 6.282 0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.038 5.776 -1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.764 7.360 -0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.561 4.144 -0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.086 8.166 0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.669 3.922 0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.199 7.941 2.245 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.450 5.796 2.230 1.00 0.00 H new ATOM 889 N ILE A 57 -2.451 7.009 -0.581 1.00 0.00 N ATOM 890 CA ILE A 57 -3.617 7.344 -1.396 1.00 0.00 C ATOM 891 C ILE A 57 -3.602 8.856 -1.604 1.00 0.00 C ATOM 892 O ILE A 57 -3.779 9.595 -0.636 1.00 0.00 O ATOM 893 CB ILE A 57 -4.904 6.834 -0.707 1.00 0.00 C ATOM 894 CG1 ILE A 57 -4.844 5.309 -0.433 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.134 7.200 -1.556 1.00 0.00 C ATOM 896 CD1 ILE A 57 -6.083 4.727 0.254 1.00 0.00 C ATOM 0 H ILE A 57 -2.371 7.569 0.268 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.589 6.858 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.989 7.325 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.694 4.790 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.972 5.100 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.037 6.837 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.191 8.283 -1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.047 6.739 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.947 3.656 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.226 5.213 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.960 4.898 -0.371 1.00 0.00 H new ATOM 908 N ASP A 58 -3.344 9.336 -2.826 1.00 0.00 N ATOM 909 CA ASP A 58 -3.092 10.751 -3.111 1.00 0.00 C ATOM 910 C ASP A 58 -2.110 11.366 -2.112 1.00 0.00 C ATOM 911 O ASP A 58 -2.365 12.416 -1.517 1.00 0.00 O ATOM 912 CB ASP A 58 -4.376 11.580 -3.312 1.00 0.00 C ATOM 913 CG ASP A 58 -5.426 10.973 -4.236 1.00 0.00 C ATOM 914 OD1 ASP A 58 -5.042 10.535 -5.345 1.00 0.00 O ATOM 915 OD2 ASP A 58 -6.644 11.062 -3.947 1.00 0.00 O ATOM 0 H ASP A 58 -3.304 8.743 -3.655 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.600 10.786 -4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.833 11.748 -2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.096 12.557 -3.705 1.00 0.00 H new ATOM 920 N ALA A 59 -0.992 10.661 -1.905 1.00 0.00 N ATOM 921 CA ALA A 59 0.129 10.940 -1.018 1.00 0.00 C ATOM 922 C ALA A 59 -0.150 10.694 0.465 1.00 0.00 C ATOM 923 O ALA A 59 0.783 10.741 1.271 1.00 0.00 O ATOM 924 CB ALA A 59 0.662 12.348 -1.258 1.00 0.00 C ATOM 0 H ALA A 59 -0.841 9.789 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 59 0.897 10.212 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.499 12.539 -0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.997 12.439 -2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.129 13.074 -1.068 1.00 0.00 H new ATOM 930 N GLN A 60 -1.392 10.390 0.836 1.00 0.00 N ATOM 931 CA GLN A 60 -1.771 10.162 2.222 1.00 0.00 C ATOM 932 C GLN A 60 -1.227 8.801 2.632 1.00 0.00 C ATOM 933 O GLN A 60 -1.719 7.780 2.151 1.00 0.00 O ATOM 934 CB GLN A 60 -3.301 10.270 2.362 1.00 0.00 C ATOM 935 CG GLN A 60 -3.710 10.647 3.793 1.00 0.00 C ATOM 936 CD GLN A 60 -5.072 11.336 3.898 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.860 11.049 4.798 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.363 12.293 3.031 1.00 0.00 N ATOM 0 H GLN A 60 -2.165 10.295 0.177 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.348 10.913 2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.679 11.018 1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.760 9.320 2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.725 9.744 4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.950 11.305 4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.704 12.525 2.288 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.246 12.798 3.106 1.00 0.00 H new ATOM 947 N HIS A 61 -0.160 8.764 3.437 1.00 0.00 N ATOM 948 CA HIS A 61 0.443 7.511 3.868 1.00 0.00 C ATOM 949 C HIS A 61 -0.517 6.836 4.834 1.00 0.00 C ATOM 950 O HIS A 61 -0.631 7.255 5.988 1.00 0.00 O ATOM 951 CB HIS A 61 1.815 7.731 4.518 1.00 0.00 C ATOM 952 CG HIS A 61 2.401 6.451 5.079 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.007 6.325 6.317 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.312 5.200 4.520 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.303 5.026 6.494 1.00 0.00 C ATOM 956 NE2 HIS A 61 2.908 4.327 5.413 1.00 0.00 N ATOM 0 H HIS A 61 0.302 9.597 3.802 1.00 0.00 H new ATOM 0 HA HIS A 61 0.615 6.874 3.000 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.501 8.148 3.781 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.721 8.466 5.318 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.865 4.947 3.570 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.783 4.608 7.367 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.028 3.323 5.276 1.00 0.00 H new ATOM 965 N ILE A 62 -1.185 5.788 4.372 1.00 0.00 N ATOM 966 CA ILE A 62 -2.179 5.067 5.136 1.00 0.00 C ATOM 967 C ILE A 62 -1.449 4.234 6.186 1.00 0.00 C ATOM 968 O ILE A 62 -1.621 4.463 7.379 1.00 0.00 O ATOM 969 CB ILE A 62 -3.017 4.214 4.160 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.581 5.036 2.983 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.149 3.485 4.886 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.378 6.287 3.379 1.00 0.00 C ATOM 0 H ILE A 62 -1.044 5.412 3.435 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.868 5.731 5.659 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.334 3.475 3.742 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.752 5.341 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.224 4.390 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.719 2.894 4.170 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.729 2.827 5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.806 4.214 5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.730 6.793 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.232 5.996 3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.738 6.961 3.948 1.00 0.00 H new ATOM 984 N GLY A 63 -0.601 3.304 5.751 1.00 0.00 N ATOM 985 CA GLY A 63 -0.012 2.292 6.607 1.00 0.00 C ATOM 986 C GLY A 63 0.090 1.013 5.793 1.00 0.00 C ATOM 987 O GLY A 63 0.365 1.085 4.592 1.00 0.00 O ATOM 0 H GLY A 63 -0.303 3.237 4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.973 2.607 6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.626 2.135 7.494 1.00 0.00 H new ATOM 991 N GLY A 64 -0.116 -0.130 6.437 1.00 0.00 N ATOM 992 CA GLY A 64 -0.034 -1.461 5.861 1.00 0.00 C ATOM 993 C GLY A 64 -1.425 -2.046 5.623 1.00 0.00 C ATOM 994 O GLY A 64 -2.404 -1.307 5.505 1.00 0.00 O ATOM 0 H GLY A 64 -0.357 -0.151 7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.512 -1.419 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.529 -2.114 6.527 1.00 0.00 H new ATOM 998 N TYR A 65 -1.520 -3.373 5.471 1.00 0.00 N ATOM 999 CA TYR A 65 -2.787 -4.013 5.144 1.00 0.00 C ATOM 1000 C TYR A 65 -3.805 -3.763 6.237 1.00 0.00 C ATOM 1001 O TYR A 65 -4.938 -3.445 5.914 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.667 -5.523 4.881 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.009 -6.237 4.824 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -4.936 -5.881 3.831 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.364 -7.203 5.788 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.172 -6.536 3.733 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.613 -7.846 5.720 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.514 -7.523 4.680 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.713 -8.152 4.597 1.00 0.00 O ATOM 0 H TYR A 65 -0.735 -4.016 5.570 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.119 -3.558 4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.141 -5.679 3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.058 -5.973 5.665 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.694 -5.093 3.134 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.674 -7.450 6.581 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.858 -6.286 2.937 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.883 -8.585 6.460 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.322 -7.785 5.271 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.435 -3.916 7.506 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.416 -3.911 8.590 1.00 0.00 C ATOM 1021 C ASP A 66 -5.009 -2.494 8.731 1.00 0.00 C ATOM 1022 O ASP A 66 -6.178 -2.337 9.087 1.00 0.00 O ATOM 1023 CB ASP A 66 -3.714 -4.441 9.849 1.00 0.00 C ATOM 1024 CG ASP A 66 -4.451 -4.235 11.167 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -5.650 -4.589 11.229 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -3.772 -4.017 12.198 1.00 0.00 O ATOM 0 H ASP A 66 -2.469 -4.044 7.809 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.267 -4.564 8.396 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.537 -5.509 9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.738 -3.963 9.924 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.243 -1.467 8.344 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.633 -0.060 8.239 1.00 0.00 C ATOM 1033 C ASP A 67 -5.625 0.130 7.088 1.00 0.00 C ATOM 1034 O ASP A 67 -6.717 0.671 7.262 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.405 0.833 7.960 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.259 0.648 8.939 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -1.552 -0.378 8.817 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -2.000 1.557 9.755 1.00 0.00 O ATOM 0 H ASP A 67 -3.268 -1.609 8.078 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.089 0.225 9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.043 0.627 6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.718 1.877 7.979 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.231 -0.301 5.888 1.00 0.00 N ATOM 1044 CA LEU A 68 -5.986 -0.195 4.638 1.00 0.00 C ATOM 1045 C LEU A 68 -7.318 -0.928 4.739 1.00 0.00 C ATOM 1046 O LEU A 68 -8.371 -0.413 4.372 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.092 -0.779 3.526 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.657 -0.898 2.098 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.509 -2.150 1.872 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.370 0.380 1.652 1.00 0.00 C ATOM 0 H LEU A 68 -4.329 -0.758 5.755 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.233 0.843 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.191 -0.168 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.783 -1.776 3.842 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.788 -1.024 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.871 -2.163 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.905 -3.039 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.358 -2.141 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.752 0.249 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.199 0.589 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.668 1.214 1.670 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.269 -2.148 5.243 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.408 -2.997 5.474 1.00 0.00 C ATOM 1064 C TYR A 69 -9.357 -2.296 6.448 1.00 0.00 C ATOM 1065 O TYR A 69 -10.560 -2.292 6.201 1.00 0.00 O ATOM 1066 CB TYR A 69 -7.847 -4.321 5.997 1.00 0.00 C ATOM 1067 CG TYR A 69 -8.775 -5.493 6.202 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -9.853 -5.737 5.332 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -8.430 -6.458 7.161 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -10.598 -6.924 5.438 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -9.165 -7.644 7.269 1.00 0.00 C ATOM 1072 CZ TYR A 69 -10.272 -7.880 6.426 1.00 0.00 C ATOM 1073 OH TYR A 69 -10.954 -9.050 6.542 1.00 0.00 O ATOM 0 H TYR A 69 -6.389 -2.588 5.513 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.997 -3.197 4.579 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.066 -4.640 5.307 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.364 -4.116 6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.110 -5.008 4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.592 -6.284 7.820 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.421 -7.106 4.763 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.883 -8.384 8.003 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.580 -9.575 7.280 1.00 0.00 H new ATOM 1083 N ALA A 70 -8.843 -1.641 7.498 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.670 -0.868 8.415 1.00 0.00 C ATOM 1085 C ALA A 70 -10.253 0.396 7.759 1.00 0.00 C ATOM 1086 O ALA A 70 -11.361 0.803 8.114 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.879 -0.516 9.677 1.00 0.00 C ATOM 0 H ALA A 70 -7.849 -1.636 7.729 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.518 -1.494 8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.510 0.062 10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.559 -1.432 10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.004 0.074 9.405 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.537 1.069 6.849 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.068 2.164 6.036 1.00 0.00 C ATOM 1095 C LEU A 71 -11.297 1.703 5.244 1.00 0.00 C ATOM 1096 O LEU A 71 -12.362 2.321 5.313 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.938 2.735 5.163 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.355 3.843 4.180 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -10.021 5.022 4.893 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -8.109 4.356 3.449 1.00 0.00 C ATOM 0 H LEU A 71 -8.557 0.862 6.656 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.423 2.977 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.160 3.128 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.493 1.918 4.595 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.075 3.415 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.299 5.780 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.914 4.675 5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.325 5.451 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.395 5.142 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.400 4.756 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.644 3.536 2.902 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.165 0.595 4.515 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.246 -0.007 3.731 1.00 0.00 C ATOM 1114 C ASP A 72 -13.368 -0.540 4.643 1.00 0.00 C ATOM 1115 O ASP A 72 -14.551 -0.496 4.305 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.643 -1.090 2.816 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.585 -1.621 1.729 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.614 -0.985 1.416 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -12.287 -2.707 1.172 1.00 0.00 O ATOM 0 H ASP A 72 -10.287 0.080 4.451 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.720 0.746 3.101 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.752 -0.684 2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.319 -1.927 3.434 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.029 -0.927 5.878 1.00 0.00 N ATOM 1125 CA ALA A 73 -13.978 -1.367 6.898 1.00 0.00 C ATOM 1126 C ALA A 73 -14.790 -0.206 7.476 1.00 0.00 C ATOM 1127 O ALA A 73 -15.733 -0.442 8.231 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.269 -2.093 8.046 1.00 0.00 C ATOM 0 H ALA A 73 -12.061 -0.942 6.200 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.659 -2.054 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.004 -2.407 8.787 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.749 -2.969 7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.548 -1.421 8.512 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.445 1.039 7.145 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.234 2.233 7.443 1.00 0.00 C ATOM 1136 C ARG A 74 -16.006 2.698 6.200 1.00 0.00 C ATOM 1137 O ARG A 74 -16.783 3.648 6.296 1.00 0.00 O ATOM 1138 CB ARG A 74 -14.288 3.278 8.074 1.00 0.00 C ATOM 1139 CG ARG A 74 -14.886 4.673 8.324 1.00 0.00 C ATOM 1140 CD ARG A 74 -14.530 5.620 7.168 1.00 0.00 C ATOM 1141 NE ARG A 74 -15.446 6.765 7.059 1.00 0.00 N ATOM 1142 CZ ARG A 74 -15.136 7.980 6.588 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -13.882 8.339 6.339 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -16.113 8.838 6.335 1.00 0.00 N ATOM 0 H ARG A 74 -13.581 1.250 6.646 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.019 2.036 8.174 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -13.928 2.884 9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.419 3.389 7.425 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.969 4.600 8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.507 5.076 9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.513 5.987 7.307 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.542 5.062 6.232 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.406 6.621 7.371 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.120 7.681 6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.680 9.272 5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -17.083 8.569 6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.895 9.768 5.976 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.827 2.053 5.044 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.384 2.550 3.791 1.00 0.00 C ATOM 1160 C GLY A 75 -15.614 3.779 3.300 1.00 0.00 C ATOM 1161 O GLY A 75 -16.137 4.572 2.517 1.00 0.00 O ATOM 0 H GLY A 75 -15.299 1.185 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.345 1.766 3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.434 2.806 3.931 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.390 3.993 3.797 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.594 5.175 3.505 1.00 0.00 C ATOM 1167 C GLY A 76 -12.667 4.975 2.313 1.00 0.00 C ATOM 1168 O GLY A 76 -11.942 5.908 1.970 1.00 0.00 O ATOM 0 H GLY A 76 -13.924 3.335 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.258 6.016 3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.002 5.436 4.382 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.650 3.789 1.696 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.760 3.489 0.587 1.00 0.00 C ATOM 1174 C LEU A 77 -12.440 3.762 -0.750 1.00 0.00 C ATOM 1175 O LEU A 77 -11.832 4.410 -1.596 1.00 0.00 O ATOM 1176 CB LEU A 77 -11.264 2.040 0.682 1.00 0.00 C ATOM 1177 CG LEU A 77 -10.061 1.795 -0.239 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.810 2.519 0.275 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -9.765 0.301 -0.327 1.00 0.00 C ATOM 0 H LEU A 77 -13.258 3.013 1.958 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.894 4.148 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.986 1.816 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.072 1.359 0.415 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.314 2.186 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.975 2.326 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.002 3.591 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.563 2.155 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.910 0.138 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.539 -0.084 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.635 -0.219 -0.728 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.689 3.322 -0.947 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.470 3.644 -2.154 1.00 0.00 C ATOM 1193 C ASP A 78 -14.468 5.120 -2.561 1.00 0.00 C ATOM 1194 O ASP A 78 -14.192 5.386 -3.728 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.908 3.090 -2.224 1.00 0.00 C ATOM 1196 CG ASP A 78 -16.200 1.818 -1.446 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -16.437 1.866 -0.217 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -16.271 0.751 -2.092 1.00 0.00 O ATOM 0 H ASP A 78 -14.188 2.735 -0.279 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.890 3.085 -2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -16.587 3.866 -1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.150 2.909 -3.271 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.730 6.103 -1.677 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.736 7.511 -2.071 1.00 0.00 C ATOM 1205 C PRO A 79 -13.343 8.040 -2.454 1.00 0.00 C ATOM 1206 O PRO A 79 -13.229 9.183 -2.911 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.351 8.266 -0.888 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.057 7.369 0.309 1.00 0.00 C ATOM 1209 CD PRO A 79 -15.112 5.967 -0.280 1.00 0.00 C ATOM 0 HA PRO A 79 -15.319 7.656 -2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.904 9.253 -0.768 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.422 8.415 -1.022 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.081 7.585 0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.794 7.501 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.433 5.296 0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.113 5.544 -0.189 1.00 0.00 H new ATOM 1217 N LEU A 80 -12.283 7.245 -2.289 1.00 0.00 N ATOM 1218 CA LEU A 80 -10.939 7.558 -2.733 1.00 0.00 C ATOM 1219 C LEU A 80 -10.637 6.796 -4.027 1.00 0.00 C ATOM 1220 O LEU A 80 -10.283 7.401 -5.036 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.936 7.246 -1.611 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.189 7.998 -0.283 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.150 7.599 0.770 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -10.135 9.520 -0.449 1.00 0.00 C ATOM 0 H LEU A 80 -12.348 6.338 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.849 8.621 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.955 6.174 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.933 7.487 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.192 7.716 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.345 8.139 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.212 6.527 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.152 7.847 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.319 9.998 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.151 9.811 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.896 9.835 -1.162 1.00 0.00 H new ATOM 1236 N LEU A 81 -10.775 5.470 -4.008 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.343 4.548 -5.061 1.00 0.00 C ATOM 1238 C LEU A 81 -11.395 4.265 -6.137 1.00 0.00 C ATOM 1239 O LEU A 81 -11.290 3.283 -6.880 1.00 0.00 O ATOM 1240 CB LEU A 81 -9.829 3.256 -4.407 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.306 3.280 -4.251 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -7.886 2.034 -3.476 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -7.595 3.324 -5.614 1.00 0.00 C ATOM 0 H LEU A 81 -11.211 4.987 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.539 5.040 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.295 3.130 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.121 2.398 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.017 4.182 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.803 2.030 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.363 2.037 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.192 1.144 -4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.516 3.340 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.866 2.442 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.898 4.221 -6.154 1.00 0.00 H new