USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 438 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 Single : A 3 GLN : amide:sc= -0.837 X(o=-0.84,f=-1) USER MOD Single : A 4 CYS SG : rot -10:sc= -1.72 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 131:sc= 0.511 USER MOD Single : A 13 GLN : amide:sc= -0.235 K(o=-0.23,f=-2.2!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 1.01 (180deg=0.803) USER MOD Single : A 29 ASN : amide:sc= -0.139 K(o=-0.14,f=-0.85) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.25) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -81:sc= 0.0215 USER MOD Single : A 51 ASN : amide:sc= -3.5! C(o=-3.5!,f=-3.7!) USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= -0.683 (180deg=-0.879) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -2.203 10.990 5.030 1.00 0.00 N ATOM 21 CA ARG A 2 -2.730 9.645 5.233 1.00 0.00 C ATOM 22 C ARG A 2 -1.791 8.599 4.641 1.00 0.00 C ATOM 23 O ARG A 2 -1.861 8.290 3.451 1.00 0.00 O ATOM 24 CB ARG A 2 -4.117 9.518 4.601 1.00 0.00 C ATOM 25 CG ARG A 2 -4.860 8.257 5.015 1.00 0.00 C ATOM 26 CD ARG A 2 -6.363 8.415 4.846 1.00 0.00 C ATOM 27 NE ARG A 2 -7.104 7.791 5.940 1.00 0.00 N ATOM 28 CZ ARG A 2 -8.373 8.070 6.229 1.00 0.00 C ATOM 29 NH1 ARG A 2 -9.045 8.960 5.510 1.00 0.00 N ATOM 30 NH2 ARG A 2 -8.972 7.456 7.241 1.00 0.00 N ATOM 0 HA ARG A 2 -2.810 9.470 6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.713 10.388 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.015 9.530 3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.512 7.415 4.416 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.632 8.024 6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.613 9.475 4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.670 7.970 3.899 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.621 7.102 6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.589 9.435 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.017 9.169 5.737 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.460 6.771 7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.944 7.669 7.463 1.00 0.00 H new ATOM 44 N GLN A 3 -0.912 8.059 5.478 1.00 0.00 N ATOM 45 CA GLN A 3 0.042 7.048 5.038 1.00 0.00 C ATOM 46 C GLN A 3 0.020 5.838 5.965 1.00 0.00 C ATOM 47 O GLN A 3 -0.312 5.952 7.145 1.00 0.00 O ATOM 48 CB GLN A 3 1.452 7.637 4.984 1.00 0.00 C ATOM 49 CG GLN A 3 1.686 8.544 3.787 1.00 0.00 C ATOM 50 CD GLN A 3 3.145 8.920 3.618 1.00 0.00 C ATOM 51 OE1 GLN A 3 3.990 8.563 4.439 1.00 0.00 O ATOM 52 NE2 GLN A 3 3.449 9.645 2.547 1.00 0.00 N ATOM 0 H GLN A 3 -0.840 8.305 6.465 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.248 6.723 4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.637 8.201 5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.176 6.823 4.960 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.336 8.045 2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.092 9.451 3.901 1.00 0.00 H new ATOM 0 HE21 GLN A 3 2.717 9.919 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.415 9.928 2.380 1.00 0.00 H new ATOM 61 N CYS A 4 0.377 4.679 5.422 1.00 0.00 N ATOM 62 CA CYS A 4 0.402 3.444 6.198 1.00 0.00 C ATOM 63 C CYS A 4 1.500 2.513 5.699 1.00 0.00 C ATOM 64 O CYS A 4 1.907 2.585 4.539 1.00 0.00 O ATOM 65 CB CYS A 4 -0.954 2.741 6.118 1.00 0.00 C ATOM 66 SG CYS A 4 -2.355 3.781 6.597 1.00 0.00 S ATOM 0 H CYS A 4 0.653 4.569 4.446 1.00 0.00 H new ATOM 0 HA CYS A 4 0.611 3.699 7.237 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.109 2.389 5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -0.933 1.860 6.760 1.00 0.00 H new ATOM 0 HG CYS A 4 -1.916 4.880 7.134 1.00 0.00 H new ATOM 72 N LYS A 5 1.979 1.639 6.579 1.00 0.00 N ATOM 73 CA LYS A 5 3.031 0.697 6.217 1.00 0.00 C ATOM 74 C LYS A 5 2.542 -0.744 6.330 1.00 0.00 C ATOM 75 O LYS A 5 2.041 -1.163 7.368 1.00 0.00 O ATOM 76 CB LYS A 5 4.251 0.906 7.117 1.00 0.00 C ATOM 77 CG LYS A 5 5.409 -0.029 6.808 1.00 0.00 C ATOM 78 CD LYS A 5 6.191 -0.379 8.065 1.00 0.00 C ATOM 79 CE LYS A 5 5.917 -1.805 8.516 1.00 0.00 C ATOM 80 NZ LYS A 5 5.865 -1.919 10.000 1.00 0.00 N ATOM 0 H LYS A 5 1.657 1.564 7.544 1.00 0.00 H new ATOM 0 HA LYS A 5 3.310 0.881 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.592 1.937 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.952 0.768 8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.029 -0.941 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.074 0.440 6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.257 -0.255 7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.925 0.313 8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.971 -2.144 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.694 -2.464 8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.676 -2.907 10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.776 -1.620 10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.107 -1.310 10.369 1.00 0.00 H new ATOM 94 N VAL A 6 2.701 -1.493 5.247 1.00 0.00 N ATOM 95 CA VAL A 6 2.289 -2.893 5.190 1.00 0.00 C ATOM 96 C VAL A 6 3.044 -3.738 6.211 1.00 0.00 C ATOM 97 O VAL A 6 4.226 -3.510 6.470 1.00 0.00 O ATOM 98 CB VAL A 6 2.523 -3.485 3.785 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.772 -4.796 3.624 1.00 0.00 C ATOM 100 CG2 VAL A 6 2.117 -2.494 2.701 1.00 0.00 C ATOM 0 H VAL A 6 3.119 -1.149 4.382 1.00 0.00 H new ATOM 0 HA VAL A 6 1.224 -2.917 5.422 1.00 0.00 H new ATOM 0 HB VAL A 6 3.589 -3.685 3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.950 -5.197 2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.122 -5.510 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.704 -4.623 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.292 -2.936 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.059 -2.252 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.709 -1.584 2.800 1.00 0.00 H new ATOM 110 N LEU A 7 2.350 -4.715 6.788 1.00 0.00 N ATOM 111 CA LEU A 7 2.949 -5.599 7.783 1.00 0.00 C ATOM 112 C LEU A 7 3.448 -6.895 7.144 1.00 0.00 C ATOM 113 O LEU A 7 4.350 -7.548 7.670 1.00 0.00 O ATOM 114 CB LEU A 7 1.939 -5.914 8.891 1.00 0.00 C ATOM 115 CG LEU A 7 0.645 -6.587 8.423 1.00 0.00 C ATOM 116 CD1 LEU A 7 0.881 -8.061 8.142 1.00 0.00 C ATOM 117 CD2 LEU A 7 -0.456 -6.410 9.460 1.00 0.00 C ATOM 0 H LEU A 7 1.371 -4.915 6.583 1.00 0.00 H new ATOM 0 HA LEU A 7 3.806 -5.083 8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.420 -6.559 9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.683 -4.986 9.401 1.00 0.00 H new ATOM 0 HG LEU A 7 0.325 -6.108 7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.050 -8.522 7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.636 -8.167 7.363 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.227 -8.554 9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.367 -6.895 9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.144 -6.861 10.402 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.646 -5.347 9.612 1.00 0.00 H new ATOM 129 N PHE A 8 2.856 -7.266 6.011 1.00 0.00 N ATOM 130 CA PHE A 8 3.244 -8.486 5.308 1.00 0.00 C ATOM 131 C PHE A 8 3.856 -8.166 3.949 1.00 0.00 C ATOM 132 O PHE A 8 3.956 -7.004 3.558 1.00 0.00 O ATOM 133 CB PHE A 8 2.032 -9.408 5.128 1.00 0.00 C ATOM 134 CG PHE A 8 2.018 -10.581 6.070 1.00 0.00 C ATOM 135 CD1 PHE A 8 2.563 -10.478 7.340 1.00 0.00 C ATOM 136 CD2 PHE A 8 1.458 -11.788 5.681 1.00 0.00 C ATOM 137 CE1 PHE A 8 2.550 -11.556 8.205 1.00 0.00 C ATOM 138 CE2 PHE A 8 1.443 -12.870 6.542 1.00 0.00 C ATOM 139 CZ PHE A 8 1.989 -12.753 7.805 1.00 0.00 C ATOM 0 H PHE A 8 2.107 -6.740 5.561 1.00 0.00 H new ATOM 0 HA PHE A 8 3.994 -8.995 5.913 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.121 -8.827 5.272 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.017 -9.777 4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.003 -9.544 7.658 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.029 -11.884 4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.978 -11.462 9.192 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.005 -13.805 6.227 1.00 0.00 H new ATOM 0 HZ PHE A 8 1.977 -13.597 8.479 1.00 0.00 H new ATOM 149 N GLU A 9 4.265 -9.209 3.233 1.00 0.00 N ATOM 150 CA GLU A 9 4.867 -9.044 1.915 1.00 0.00 C ATOM 151 C GLU A 9 3.932 -9.556 0.824 1.00 0.00 C ATOM 152 O GLU A 9 3.219 -10.541 1.016 1.00 0.00 O ATOM 153 CB GLU A 9 6.204 -9.784 1.846 1.00 0.00 C ATOM 154 CG GLU A 9 7.170 -9.201 0.827 1.00 0.00 C ATOM 155 CD GLU A 9 7.136 -9.939 -0.497 1.00 0.00 C ATOM 156 OE1 GLU A 9 6.854 -11.156 -0.491 1.00 0.00 O ATOM 157 OE2 GLU A 9 7.391 -9.300 -1.539 1.00 0.00 O ATOM 0 H GLU A 9 4.190 -10.178 3.544 1.00 0.00 H new ATOM 0 HA GLU A 9 5.040 -7.980 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.672 -9.765 2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.019 -10.830 1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.927 -8.152 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.182 -9.233 1.231 1.00 0.00 H new ATOM 164 N TYR A 10 3.939 -8.880 -0.320 1.00 0.00 N ATOM 165 CA TYR A 10 3.091 -9.266 -1.442 1.00 0.00 C ATOM 166 C TYR A 10 3.915 -9.419 -2.717 1.00 0.00 C ATOM 167 O TYR A 10 4.868 -8.674 -2.945 1.00 0.00 O ATOM 168 CB TYR A 10 1.986 -8.229 -1.652 1.00 0.00 C ATOM 169 CG TYR A 10 1.074 -8.539 -2.819 1.00 0.00 C ATOM 170 CD1 TYR A 10 0.028 -9.444 -2.686 1.00 0.00 C ATOM 171 CD2 TYR A 10 1.261 -7.928 -4.052 1.00 0.00 C ATOM 172 CE1 TYR A 10 -0.806 -9.730 -3.750 1.00 0.00 C ATOM 173 CE2 TYR A 10 0.431 -8.208 -5.120 1.00 0.00 C ATOM 174 CZ TYR A 10 -0.601 -9.110 -4.965 1.00 0.00 C ATOM 175 OH TYR A 10 -1.428 -9.392 -6.027 1.00 0.00 O ATOM 0 H TYR A 10 4.523 -8.062 -0.495 1.00 0.00 H new ATOM 0 HA TYR A 10 2.635 -10.228 -1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.388 -8.160 -0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.442 -7.252 -1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.136 -9.931 -1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.069 -7.222 -4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.615 -10.436 -3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.589 -7.723 -6.072 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.737 -8.555 -6.433 1.00 0.00 H new ATOM 185 N ILE A 11 3.541 -10.390 -3.544 1.00 0.00 N ATOM 186 CA ILE A 11 4.245 -10.640 -4.796 1.00 0.00 C ATOM 187 C ILE A 11 3.381 -10.265 -5.999 1.00 0.00 C ATOM 188 O ILE A 11 2.425 -10.968 -6.325 1.00 0.00 O ATOM 189 CB ILE A 11 4.657 -12.120 -4.919 1.00 0.00 C ATOM 190 CG1 ILE A 11 5.343 -12.590 -3.635 1.00 0.00 C ATOM 191 CG2 ILE A 11 5.572 -12.317 -6.118 1.00 0.00 C ATOM 192 CD1 ILE A 11 4.374 -12.943 -2.528 1.00 0.00 C ATOM 0 H ILE A 11 2.755 -11.016 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 11 5.140 -10.018 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 11 3.760 -12.720 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.959 -13.461 -3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.014 -11.807 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.854 -13.367 -6.192 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.050 -12.017 -7.027 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.468 -11.708 -5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.929 -13.268 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.775 -12.068 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.719 -13.748 -2.861 1.00 0.00 H new ATOM 204 N PRO A 12 3.705 -9.150 -6.680 1.00 0.00 N ATOM 205 CA PRO A 12 2.947 -8.695 -7.850 1.00 0.00 C ATOM 206 C PRO A 12 2.800 -9.789 -8.902 1.00 0.00 C ATOM 207 O PRO A 12 3.702 -10.604 -9.096 1.00 0.00 O ATOM 208 CB PRO A 12 3.789 -7.539 -8.396 1.00 0.00 C ATOM 209 CG PRO A 12 4.557 -7.042 -7.221 1.00 0.00 C ATOM 210 CD PRO A 12 4.829 -8.248 -6.365 1.00 0.00 C ATOM 0 HA PRO A 12 1.928 -8.409 -7.589 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.455 -7.875 -9.191 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.160 -6.755 -8.818 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.487 -6.568 -7.535 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.987 -6.293 -6.671 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.790 -8.703 -6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.854 -7.992 -5.306 1.00 0.00 H new ATOM 218 N GLN A 13 1.655 -9.803 -9.578 1.00 0.00 N ATOM 219 CA GLN A 13 1.390 -10.799 -10.611 1.00 0.00 C ATOM 220 C GLN A 13 1.165 -10.135 -11.965 1.00 0.00 C ATOM 221 O GLN A 13 1.632 -10.627 -12.993 1.00 0.00 O ATOM 222 CB GLN A 13 0.169 -11.641 -10.233 1.00 0.00 C ATOM 223 CG GLN A 13 0.314 -13.113 -10.586 1.00 0.00 C ATOM 224 CD GLN A 13 -0.208 -14.028 -9.494 1.00 0.00 C ATOM 225 OE1 GLN A 13 -0.765 -13.569 -8.497 1.00 0.00 O ATOM 226 NE2 GLN A 13 -0.028 -15.331 -9.679 1.00 0.00 N ATOM 0 H GLN A 13 0.897 -9.137 -9.429 1.00 0.00 H new ATOM 0 HA GLN A 13 2.263 -11.448 -10.687 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.009 -11.548 -9.162 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.710 -11.239 -10.738 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.223 -13.315 -11.512 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.365 -13.337 -10.771 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.439 -15.667 -10.521 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.357 -15.996 -8.979 1.00 0.00 H new ATOM 235 N ASN A 14 0.448 -9.016 -11.960 1.00 0.00 N ATOM 236 CA ASN A 14 0.161 -8.286 -13.189 1.00 0.00 C ATOM 237 C ASN A 14 0.817 -6.910 -13.172 1.00 0.00 C ATOM 238 O ASN A 14 1.329 -6.467 -12.144 1.00 0.00 O ATOM 239 CB ASN A 14 -1.350 -8.141 -13.379 1.00 0.00 C ATOM 240 CG ASN A 14 -1.991 -9.408 -13.911 1.00 0.00 C ATOM 241 OD1 ASN A 14 -2.313 -10.321 -13.151 1.00 0.00 O ATOM 242 ND2 ASN A 14 -2.178 -9.469 -15.224 1.00 0.00 N ATOM 0 H ASN A 14 0.055 -8.595 -11.118 1.00 0.00 H new ATOM 0 HA ASN A 14 0.573 -8.854 -14.023 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.809 -7.877 -12.426 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.550 -7.320 -14.067 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.604 -10.297 -15.641 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.896 -8.688 -15.816 1.00 0.00 H new ATOM 249 N GLU A 15 0.797 -6.237 -14.318 1.00 0.00 N ATOM 250 CA GLU A 15 1.388 -4.909 -14.437 1.00 0.00 C ATOM 251 C GLU A 15 0.651 -3.900 -13.561 1.00 0.00 C ATOM 252 O GLU A 15 1.209 -2.871 -13.179 1.00 0.00 O ATOM 253 CB GLU A 15 1.365 -4.447 -15.896 1.00 0.00 C ATOM 254 CG GLU A 15 2.614 -4.827 -16.673 1.00 0.00 C ATOM 255 CD GLU A 15 2.456 -4.621 -18.167 1.00 0.00 C ATOM 256 OE1 GLU A 15 1.876 -3.589 -18.566 1.00 0.00 O ATOM 257 OE2 GLU A 15 2.912 -5.491 -18.938 1.00 0.00 O ATOM 0 H GLU A 15 0.378 -6.590 -15.178 1.00 0.00 H new ATOM 0 HA GLU A 15 2.422 -4.969 -14.096 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.494 -4.877 -16.391 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.245 -3.364 -15.924 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.455 -4.233 -16.315 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.855 -5.872 -16.477 1.00 0.00 H new ATOM 264 N ASP A 16 -0.606 -4.200 -13.245 1.00 0.00 N ATOM 265 CA ASP A 16 -1.417 -3.317 -12.414 1.00 0.00 C ATOM 266 C ASP A 16 -1.384 -3.760 -10.954 1.00 0.00 C ATOM 267 O ASP A 16 -2.392 -3.690 -10.250 1.00 0.00 O ATOM 268 CB ASP A 16 -2.861 -3.289 -12.926 1.00 0.00 C ATOM 269 CG ASP A 16 -3.296 -1.901 -13.352 1.00 0.00 C ATOM 270 OD1 ASP A 16 -2.793 -0.917 -12.771 1.00 0.00 O ATOM 271 OD2 ASP A 16 -4.141 -1.798 -14.266 1.00 0.00 O ATOM 0 H ASP A 16 -1.084 -5.047 -13.552 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.999 -2.312 -12.475 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.958 -3.972 -13.770 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.528 -3.652 -12.144 1.00 0.00 H new ATOM 276 N GLU A 17 -0.219 -4.214 -10.504 1.00 0.00 N ATOM 277 CA GLU A 17 -0.054 -4.666 -9.128 1.00 0.00 C ATOM 278 C GLU A 17 1.307 -4.250 -8.579 1.00 0.00 C ATOM 279 O GLU A 17 2.340 -4.497 -9.201 1.00 0.00 O ATOM 280 CB GLU A 17 -0.205 -6.187 -9.047 1.00 0.00 C ATOM 281 CG GLU A 17 -1.555 -6.690 -9.531 1.00 0.00 C ATOM 282 CD GLU A 17 -2.656 -6.476 -8.512 1.00 0.00 C ATOM 283 OE1 GLU A 17 -2.507 -6.954 -7.367 1.00 0.00 O ATOM 284 OE2 GLU A 17 -3.668 -5.831 -8.857 1.00 0.00 O ATOM 0 H GLU A 17 0.625 -4.279 -11.073 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.830 -4.197 -8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.581 -6.654 -9.640 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.057 -6.504 -8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.818 -6.179 -10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.481 -7.753 -9.763 1.00 0.00 H new ATOM 291 N LEU A 18 1.301 -3.616 -7.411 1.00 0.00 N ATOM 292 CA LEU A 18 2.536 -3.166 -6.780 1.00 0.00 C ATOM 293 C LEU A 18 3.001 -4.163 -5.723 1.00 0.00 C ATOM 294 O LEU A 18 2.203 -4.931 -5.186 1.00 0.00 O ATOM 295 CB LEU A 18 2.337 -1.787 -6.146 1.00 0.00 C ATOM 296 CG LEU A 18 3.518 -0.827 -6.300 1.00 0.00 C ATOM 297 CD1 LEU A 18 3.028 0.612 -6.374 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.499 -1.000 -5.149 1.00 0.00 C ATOM 0 H LEU A 18 0.455 -3.402 -6.883 1.00 0.00 H new ATOM 0 HA LEU A 18 3.304 -3.096 -7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.453 -1.325 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.132 -1.919 -5.084 1.00 0.00 H new ATOM 0 HG LEU A 18 4.035 -1.062 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.881 1.282 -6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.364 0.727 -7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.487 0.860 -5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.333 -0.309 -5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.994 -0.791 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.874 -2.024 -5.141 1.00 0.00 H new ATOM 310 N GLU A 19 4.297 -4.145 -5.430 1.00 0.00 N ATOM 311 CA GLU A 19 4.868 -5.049 -4.438 1.00 0.00 C ATOM 312 C GLU A 19 4.853 -4.417 -3.050 1.00 0.00 C ATOM 313 O GLU A 19 5.629 -3.506 -2.762 1.00 0.00 O ATOM 314 CB GLU A 19 6.301 -5.421 -4.825 1.00 0.00 C ATOM 315 CG GLU A 19 6.907 -6.502 -3.945 1.00 0.00 C ATOM 316 CD GLU A 19 8.095 -6.006 -3.143 1.00 0.00 C ATOM 317 OE1 GLU A 19 8.172 -4.785 -2.891 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.947 -6.838 -2.769 1.00 0.00 O ATOM 0 H GLU A 19 4.971 -3.515 -5.865 1.00 0.00 H new ATOM 0 HA GLU A 19 4.257 -5.952 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.313 -5.759 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.926 -4.529 -4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.145 -6.879 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.219 -7.340 -4.569 1.00 0.00 H new ATOM 325 N LEU A 20 3.967 -4.910 -2.192 1.00 0.00 N ATOM 326 CA LEU A 20 3.852 -4.397 -0.831 1.00 0.00 C ATOM 327 C LEU A 20 4.860 -5.076 0.091 1.00 0.00 C ATOM 328 O LEU A 20 4.533 -6.045 0.777 1.00 0.00 O ATOM 329 CB LEU A 20 2.434 -4.613 -0.299 1.00 0.00 C ATOM 330 CG LEU A 20 1.312 -4.144 -1.233 1.00 0.00 C ATOM 331 CD1 LEU A 20 0.425 -5.313 -1.639 1.00 0.00 C ATOM 332 CD2 LEU A 20 0.486 -3.051 -0.569 1.00 0.00 C ATOM 0 H LEU A 20 3.318 -5.664 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 20 4.065 -3.328 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.297 -5.675 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.336 -4.091 0.653 1.00 0.00 H new ATOM 0 HG LEU A 20 1.767 -3.732 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.364 -4.958 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.024 -6.062 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.021 -5.758 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.305 -2.731 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.043 -3.437 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.128 -2.202 -0.334 1.00 0.00 H new ATOM 344 N LYS A 21 6.085 -4.562 0.103 1.00 0.00 N ATOM 345 CA LYS A 21 7.140 -5.121 0.941 1.00 0.00 C ATOM 346 C LYS A 21 6.993 -4.653 2.384 1.00 0.00 C ATOM 347 O LYS A 21 6.624 -3.507 2.641 1.00 0.00 O ATOM 348 CB LYS A 21 8.515 -4.722 0.401 1.00 0.00 C ATOM 349 CG LYS A 21 8.774 -3.224 0.444 1.00 0.00 C ATOM 350 CD LYS A 21 10.170 -2.885 -0.054 1.00 0.00 C ATOM 351 CE LYS A 21 11.218 -3.112 1.023 1.00 0.00 C ATOM 352 NZ LYS A 21 12.197 -1.991 1.091 1.00 0.00 N ATOM 0 H LYS A 21 6.372 -3.760 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 21 7.050 -6.207 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.285 -5.232 0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.607 -5.069 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.033 -2.708 -0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.653 -2.862 1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.405 -3.496 -0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.199 -1.844 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.727 -3.224 1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.747 -4.044 0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.943 -2.223 1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.623 -1.845 0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.710 -1.122 1.389 1.00 0.00 H new ATOM 366 N VAL A 22 7.284 -5.548 3.323 1.00 0.00 N ATOM 367 CA VAL A 22 7.185 -5.227 4.742 1.00 0.00 C ATOM 368 C VAL A 22 8.198 -4.158 5.133 1.00 0.00 C ATOM 369 O VAL A 22 9.382 -4.267 4.815 1.00 0.00 O ATOM 370 CB VAL A 22 7.409 -6.473 5.621 1.00 0.00 C ATOM 371 CG1 VAL A 22 7.135 -6.153 7.083 1.00 0.00 C ATOM 372 CG2 VAL A 22 6.538 -7.627 5.150 1.00 0.00 C ATOM 0 H VAL A 22 7.590 -6.501 3.127 1.00 0.00 H new ATOM 0 HA VAL A 22 6.176 -4.851 4.910 1.00 0.00 H new ATOM 0 HB VAL A 22 8.452 -6.775 5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.299 -7.045 7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.807 -5.362 7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.102 -5.823 7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.712 -8.496 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.489 -7.339 5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.788 -7.874 4.118 1.00 0.00 H new ATOM 382 N GLY A 23 7.728 -3.126 5.825 1.00 0.00 N ATOM 383 CA GLY A 23 8.611 -2.056 6.247 1.00 0.00 C ATOM 384 C GLY A 23 8.538 -0.838 5.343 1.00 0.00 C ATOM 385 O GLY A 23 9.155 0.189 5.629 1.00 0.00 O ATOM 0 H GLY A 23 6.753 -3.012 6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.356 -1.762 7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.636 -2.425 6.269 1.00 0.00 H new ATOM 389 N ASP A 24 7.791 -0.947 4.247 1.00 0.00 N ATOM 390 CA ASP A 24 7.655 0.159 3.306 1.00 0.00 C ATOM 391 C ASP A 24 6.336 0.897 3.512 1.00 0.00 C ATOM 392 O ASP A 24 5.310 0.286 3.812 1.00 0.00 O ATOM 393 CB ASP A 24 7.746 -0.354 1.868 1.00 0.00 C ATOM 394 CG ASP A 24 9.164 -0.318 1.331 1.00 0.00 C ATOM 395 OD1 ASP A 24 10.081 -0.776 2.046 1.00 0.00 O ATOM 396 OD2 ASP A 24 9.357 0.166 0.197 1.00 0.00 O ATOM 0 H ASP A 24 7.273 -1.787 3.990 1.00 0.00 H new ATOM 0 HA ASP A 24 8.471 0.858 3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.370 -1.376 1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.102 0.250 1.228 1.00 0.00 H new ATOM 401 N ILE A 25 6.370 2.216 3.343 1.00 0.00 N ATOM 402 CA ILE A 25 5.178 3.039 3.506 1.00 0.00 C ATOM 403 C ILE A 25 4.592 3.424 2.152 1.00 0.00 C ATOM 404 O ILE A 25 5.324 3.741 1.215 1.00 0.00 O ATOM 405 CB ILE A 25 5.482 4.323 4.302 1.00 0.00 C ATOM 406 CG1 ILE A 25 6.285 3.992 5.562 1.00 0.00 C ATOM 407 CG2 ILE A 25 4.187 5.039 4.662 1.00 0.00 C ATOM 408 CD1 ILE A 25 6.541 5.189 6.453 1.00 0.00 C ATOM 0 H ILE A 25 7.211 2.737 3.093 1.00 0.00 H new ATOM 0 HA ILE A 25 4.455 2.441 4.060 1.00 0.00 H new ATOM 0 HB ILE A 25 6.081 4.987 3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.751 3.233 6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.241 3.557 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.416 5.944 5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.652 5.304 3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.565 4.382 5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.115 4.877 7.325 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.103 5.941 5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.590 5.612 6.777 1.00 0.00 H new ATOM 420 N ILE A 26 3.267 3.394 2.056 1.00 0.00 N ATOM 421 CA ILE A 26 2.583 3.740 0.816 1.00 0.00 C ATOM 422 C ILE A 26 1.554 4.841 1.045 1.00 0.00 C ATOM 423 O ILE A 26 0.701 4.734 1.927 1.00 0.00 O ATOM 424 CB ILE A 26 1.879 2.515 0.201 1.00 0.00 C ATOM 425 CG1 ILE A 26 2.852 1.339 0.089 1.00 0.00 C ATOM 426 CG2 ILE A 26 1.302 2.863 -1.164 1.00 0.00 C ATOM 427 CD1 ILE A 26 2.171 -0.012 0.108 1.00 0.00 C ATOM 0 H ILE A 26 2.646 3.134 2.822 1.00 0.00 H new ATOM 0 HA ILE A 26 3.346 4.097 0.124 1.00 0.00 H new ATOM 0 HB ILE A 26 1.059 2.222 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.422 1.436 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.566 1.389 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.808 1.987 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.578 3.671 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.106 3.180 -1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.921 -0.799 0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.623 -0.130 1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.478 -0.082 -0.730 1.00 0.00 H new ATOM 439 N ASP A 27 1.638 5.898 0.245 1.00 0.00 N ATOM 440 CA ASP A 27 0.712 7.019 0.360 1.00 0.00 C ATOM 441 C ASP A 27 -0.431 6.882 -0.641 1.00 0.00 C ATOM 442 O ASP A 27 -0.208 6.844 -1.851 1.00 0.00 O ATOM 443 CB ASP A 27 1.448 8.340 0.134 1.00 0.00 C ATOM 444 CG ASP A 27 0.613 9.543 0.527 1.00 0.00 C ATOM 445 OD1 ASP A 27 0.173 9.604 1.694 1.00 0.00 O ATOM 446 OD2 ASP A 27 0.399 10.423 -0.333 1.00 0.00 O ATOM 0 H ASP A 27 2.337 6.002 -0.490 1.00 0.00 H new ATOM 0 HA ASP A 27 0.294 7.013 1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.373 8.340 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.726 8.422 -0.917 1.00 0.00 H new ATOM 451 N ILE A 28 -1.654 6.806 -0.128 1.00 0.00 N ATOM 452 CA ILE A 28 -2.832 6.670 -0.976 1.00 0.00 C ATOM 453 C ILE A 28 -3.265 8.020 -1.539 1.00 0.00 C ATOM 454 O ILE A 28 -3.300 9.020 -0.822 1.00 0.00 O ATOM 455 CB ILE A 28 -4.012 6.047 -0.205 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.555 4.794 0.544 1.00 0.00 C ATOM 457 CG2 ILE A 28 -5.155 5.718 -1.155 1.00 0.00 C ATOM 458 CD1 ILE A 28 -3.117 5.066 1.967 1.00 0.00 C ATOM 0 H ILE A 28 -1.855 6.836 0.871 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.554 6.009 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.372 6.772 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.370 4.070 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.729 4.336 -0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.980 5.279 -0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.495 6.630 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.810 5.009 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.806 4.133 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.281 5.766 1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.947 5.496 2.527 1.00 0.00 H new ATOM 470 N ASN A 29 -3.595 8.039 -2.826 1.00 0.00 N ATOM 471 CA ASN A 29 -4.028 9.265 -3.487 1.00 0.00 C ATOM 472 C ASN A 29 -5.534 9.247 -3.733 1.00 0.00 C ATOM 473 O ASN A 29 -6.222 10.241 -3.504 1.00 0.00 O ATOM 474 CB ASN A 29 -3.281 9.446 -4.811 1.00 0.00 C ATOM 475 CG ASN A 29 -2.237 10.543 -4.741 1.00 0.00 C ATOM 476 OD1 ASN A 29 -2.438 11.566 -4.087 1.00 0.00 O ATOM 477 ND2 ASN A 29 -1.114 10.335 -5.418 1.00 0.00 N ATOM 0 H ASN A 29 -3.571 7.219 -3.432 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.797 10.105 -2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.800 8.507 -5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.996 9.679 -5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.375 11.038 -5.409 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.990 9.472 -5.947 1.00 0.00 H new ATOM 484 N GLU A 30 -6.038 8.109 -4.200 1.00 0.00 N ATOM 485 CA GLU A 30 -7.462 7.961 -4.476 1.00 0.00 C ATOM 486 C GLU A 30 -7.907 6.514 -4.283 1.00 0.00 C ATOM 487 O GLU A 30 -7.138 5.582 -4.514 1.00 0.00 O ATOM 488 CB GLU A 30 -7.777 8.417 -5.902 1.00 0.00 C ATOM 489 CG GLU A 30 -8.139 9.889 -6.004 1.00 0.00 C ATOM 490 CD GLU A 30 -7.983 10.432 -7.411 1.00 0.00 C ATOM 491 OE1 GLU A 30 -8.102 9.640 -8.370 1.00 0.00 O ATOM 492 OE2 GLU A 30 -7.740 11.648 -7.555 1.00 0.00 O ATOM 0 H GLU A 30 -5.482 7.277 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.009 8.588 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.913 8.219 -6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.602 7.821 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.169 10.029 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.508 10.462 -5.325 1.00 0.00 H new ATOM 499 N GLU A 31 -9.154 6.336 -3.859 1.00 0.00 N ATOM 500 CA GLU A 31 -9.703 5.004 -3.636 1.00 0.00 C ATOM 501 C GLU A 31 -10.221 4.405 -4.940 1.00 0.00 C ATOM 502 O GLU A 31 -11.132 4.948 -5.565 1.00 0.00 O ATOM 503 CB GLU A 31 -10.829 5.060 -2.602 1.00 0.00 C ATOM 504 CG GLU A 31 -10.806 3.905 -1.615 1.00 0.00 C ATOM 505 CD GLU A 31 -9.747 4.076 -0.543 1.00 0.00 C ATOM 506 OE1 GLU A 31 -8.556 3.847 -0.844 1.00 0.00 O ATOM 507 OE2 GLU A 31 -10.108 4.438 0.596 1.00 0.00 O ATOM 0 H GLU A 31 -9.803 7.098 -3.663 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.904 4.367 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.760 5.998 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.788 5.065 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.784 3.815 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.626 2.975 -2.154 1.00 0.00 H new ATOM 514 N VAL A 32 -9.635 3.283 -5.345 1.00 0.00 N ATOM 515 CA VAL A 32 -10.038 2.613 -6.575 1.00 0.00 C ATOM 516 C VAL A 32 -11.484 2.134 -6.492 1.00 0.00 C ATOM 517 O VAL A 32 -12.362 2.660 -7.176 1.00 0.00 O ATOM 518 CB VAL A 32 -9.126 1.410 -6.888 1.00 0.00 C ATOM 519 CG1 VAL A 32 -9.468 0.816 -8.246 1.00 0.00 C ATOM 520 CG2 VAL A 32 -7.661 1.820 -6.833 1.00 0.00 C ATOM 0 H VAL A 32 -8.880 2.819 -4.839 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.946 3.345 -7.377 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.295 0.645 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.813 -0.032 -8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.505 0.481 -8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.331 1.572 -9.019 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.033 0.958 -7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.475 2.604 -7.567 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.425 2.192 -5.836 1.00 0.00 H new ATOM 530 N GLU A 33 -11.725 1.133 -5.651 1.00 0.00 N ATOM 531 CA GLU A 33 -13.065 0.583 -5.480 1.00 0.00 C ATOM 532 C GLU A 33 -13.258 0.048 -4.065 1.00 0.00 C ATOM 533 O GLU A 33 -12.363 0.147 -3.226 1.00 0.00 O ATOM 534 CB GLU A 33 -13.313 -0.533 -6.497 1.00 0.00 C ATOM 535 CG GLU A 33 -13.430 -0.039 -7.929 1.00 0.00 C ATOM 536 CD GLU A 33 -14.745 0.666 -8.197 1.00 0.00 C ATOM 537 OE1 GLU A 33 -14.848 1.870 -7.882 1.00 0.00 O ATOM 538 OE2 GLU A 33 -15.672 0.014 -8.722 1.00 0.00 O ATOM 0 H GLU A 33 -11.010 0.686 -5.077 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.784 1.385 -5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.499 -1.255 -6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.228 -1.061 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.607 0.642 -8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.330 -0.884 -8.610 1.00 0.00 H new ATOM 545 N GLU A 34 -14.432 -0.520 -3.808 1.00 0.00 N ATOM 546 CA GLU A 34 -14.742 -1.073 -2.494 1.00 0.00 C ATOM 547 C GLU A 34 -14.007 -2.393 -2.274 1.00 0.00 C ATOM 548 O GLU A 34 -14.627 -3.449 -2.147 1.00 0.00 O ATOM 549 CB GLU A 34 -16.251 -1.283 -2.350 1.00 0.00 C ATOM 550 CG GLU A 34 -17.011 -0.015 -1.996 1.00 0.00 C ATOM 551 CD GLU A 34 -18.432 -0.021 -2.524 1.00 0.00 C ATOM 552 OE1 GLU A 34 -18.964 -1.120 -2.785 1.00 0.00 O ATOM 553 OE2 GLU A 34 -19.013 1.074 -2.677 1.00 0.00 O ATOM 0 H GLU A 34 -15.184 -0.609 -4.492 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.409 -0.362 -1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -16.644 -1.683 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -16.433 -2.033 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.030 0.102 -0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.481 0.847 -2.400 1.00 0.00 H new ATOM 560 N GLY A 35 -12.681 -2.323 -2.231 1.00 0.00 N ATOM 561 CA GLY A 35 -11.880 -3.515 -2.027 1.00 0.00 C ATOM 562 C GLY A 35 -10.414 -3.282 -2.332 1.00 0.00 C ATOM 563 O GLY A 35 -9.539 -3.725 -1.588 1.00 0.00 O ATOM 0 H GLY A 35 -12.146 -1.461 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.985 -3.849 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.258 -4.317 -2.661 1.00 0.00 H new ATOM 567 N TRP A 36 -10.146 -2.582 -3.429 1.00 0.00 N ATOM 568 CA TRP A 36 -8.777 -2.285 -3.832 1.00 0.00 C ATOM 569 C TRP A 36 -8.444 -0.819 -3.571 1.00 0.00 C ATOM 570 O TRP A 36 -9.236 0.071 -3.878 1.00 0.00 O ATOM 571 CB TRP A 36 -8.576 -2.610 -5.314 1.00 0.00 C ATOM 572 CG TRP A 36 -9.134 -3.942 -5.712 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.337 -4.180 -6.313 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.512 -5.222 -5.537 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.502 -5.527 -6.523 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.396 -6.188 -6.056 1.00 0.00 C ATOM 577 CE3 TRP A 36 -7.295 -5.645 -4.995 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -9.100 -7.549 -6.047 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -7.004 -6.996 -4.986 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.902 -7.934 -5.510 1.00 0.00 C ATOM 0 H TRP A 36 -10.860 -2.210 -4.055 1.00 0.00 H new ATOM 0 HA TRP A 36 -8.105 -2.905 -3.239 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.047 -1.833 -5.916 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.510 -2.588 -5.542 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.054 -3.419 -6.584 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.315 -5.964 -6.956 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.595 -4.929 -4.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -9.791 -8.274 -6.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -6.068 -7.334 -4.567 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.644 -8.982 -5.490 1.00 0.00 H new ATOM 591 N TRP A 37 -7.268 -0.576 -3.001 1.00 0.00 N ATOM 592 CA TRP A 37 -6.834 0.783 -2.697 1.00 0.00 C ATOM 593 C TRP A 37 -5.655 1.189 -3.575 1.00 0.00 C ATOM 594 O TRP A 37 -4.975 0.341 -4.151 1.00 0.00 O ATOM 595 CB TRP A 37 -6.447 0.899 -1.222 1.00 0.00 C ATOM 596 CG TRP A 37 -7.610 1.189 -0.322 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.914 0.839 -0.529 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.575 1.889 0.927 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.691 1.278 0.515 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.893 1.925 1.422 1.00 0.00 C ATOM 601 CE3 TRP A 37 -6.558 2.487 1.675 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -9.217 2.536 2.630 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.882 3.094 2.875 1.00 0.00 C ATOM 604 CH2 TRP A 37 -8.202 3.113 3.342 1.00 0.00 C ATOM 0 H TRP A 37 -6.600 -1.301 -2.741 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.666 1.456 -2.903 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.974 -0.030 -0.904 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.705 1.689 -1.110 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.280 0.296 -1.388 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.698 1.144 0.601 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.537 2.476 1.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.234 2.554 2.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.104 3.561 3.461 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.423 3.593 4.284 1.00 0.00 H new ATOM 615 N SER A 38 -5.420 2.494 -3.671 1.00 0.00 N ATOM 616 CA SER A 38 -4.323 3.017 -4.477 1.00 0.00 C ATOM 617 C SER A 38 -3.228 3.599 -3.590 1.00 0.00 C ATOM 618 O SER A 38 -3.476 3.969 -2.443 1.00 0.00 O ATOM 619 CB SER A 38 -4.837 4.087 -5.441 1.00 0.00 C ATOM 620 OG SER A 38 -4.081 4.101 -6.640 1.00 0.00 O ATOM 0 H SER A 38 -5.975 3.209 -3.200 1.00 0.00 H new ATOM 0 HA SER A 38 -3.901 2.193 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.886 3.900 -5.671 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.785 5.066 -4.964 1.00 0.00 H new ATOM 0 HG SER A 38 -4.431 4.793 -7.239 1.00 0.00 H new ATOM 626 N GLY A 39 -2.016 3.677 -4.128 1.00 0.00 N ATOM 627 CA GLY A 39 -0.903 4.216 -3.369 1.00 0.00 C ATOM 628 C GLY A 39 0.369 4.310 -4.188 1.00 0.00 C ATOM 629 O GLY A 39 0.483 3.690 -5.245 1.00 0.00 O ATOM 0 H GLY A 39 -1.784 3.377 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.166 5.207 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.724 3.587 -2.497 1.00 0.00 H new ATOM 633 N THR A 40 1.328 5.089 -3.698 1.00 0.00 N ATOM 634 CA THR A 40 2.600 5.265 -4.391 1.00 0.00 C ATOM 635 C THR A 40 3.755 4.729 -3.550 1.00 0.00 C ATOM 636 O THR A 40 3.679 4.696 -2.322 1.00 0.00 O ATOM 637 CB THR A 40 2.830 6.743 -4.710 1.00 0.00 C ATOM 638 OG1 THR A 40 1.671 7.316 -5.289 1.00 0.00 O ATOM 639 CG2 THR A 40 3.983 6.977 -5.662 1.00 0.00 C ATOM 0 H THR A 40 1.249 5.609 -2.824 1.00 0.00 H new ATOM 0 HA THR A 40 2.559 4.701 -5.323 1.00 0.00 H new ATOM 0 HB THR A 40 3.068 7.212 -3.755 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.837 8.262 -5.485 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.092 8.046 -5.846 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.902 6.589 -5.223 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.787 6.465 -6.604 1.00 0.00 H new ATOM 647 N LEU A 41 4.824 4.311 -4.221 1.00 0.00 N ATOM 648 CA LEU A 41 5.996 3.778 -3.536 1.00 0.00 C ATOM 649 C LEU A 41 7.279 4.369 -4.112 1.00 0.00 C ATOM 650 O LEU A 41 8.164 3.641 -4.564 1.00 0.00 O ATOM 651 CB LEU A 41 6.026 2.252 -3.645 1.00 0.00 C ATOM 652 CG LEU A 41 7.028 1.557 -2.718 1.00 0.00 C ATOM 653 CD1 LEU A 41 6.313 0.611 -1.766 1.00 0.00 C ATOM 654 CD2 LEU A 41 8.077 0.808 -3.527 1.00 0.00 C ATOM 0 H LEU A 41 4.903 4.331 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 41 5.931 4.058 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.029 1.868 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.258 1.981 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 41 7.532 2.322 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.043 0.128 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.603 1.173 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.779 -0.147 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.779 0.321 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.590 0.055 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.615 1.510 -4.164 1.00 0.00 H new ATOM 666 N ASN A 42 7.374 5.695 -4.093 1.00 0.00 N ATOM 667 CA ASN A 42 8.549 6.384 -4.613 1.00 0.00 C ATOM 668 C ASN A 42 8.758 6.067 -6.091 1.00 0.00 C ATOM 669 O ASN A 42 9.447 5.108 -6.439 1.00 0.00 O ATOM 670 CB ASN A 42 9.792 5.988 -3.814 1.00 0.00 C ATOM 671 CG ASN A 42 10.821 7.100 -3.757 1.00 0.00 C ATOM 672 OD1 ASN A 42 10.598 8.138 -3.134 1.00 0.00 O ATOM 673 ND2 ASN A 42 11.959 6.887 -4.409 1.00 0.00 N ATOM 0 H ASN A 42 6.652 6.313 -3.723 1.00 0.00 H new ATOM 0 HA ASN A 42 8.385 7.457 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.498 5.717 -2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.242 5.103 -4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.690 7.599 -4.406 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.102 6.012 -4.913 1.00 0.00 H new ATOM 680 N ASN A 43 8.157 6.878 -6.955 1.00 0.00 N ATOM 681 CA ASN A 43 8.276 6.685 -8.396 1.00 0.00 C ATOM 682 C ASN A 43 7.718 5.328 -8.819 1.00 0.00 C ATOM 683 O ASN A 43 8.039 4.825 -9.895 1.00 0.00 O ATOM 684 CB ASN A 43 9.740 6.803 -8.827 1.00 0.00 C ATOM 685 CG ASN A 43 9.886 7.035 -10.317 1.00 0.00 C ATOM 686 OD1 ASN A 43 10.458 6.213 -11.033 1.00 0.00 O ATOM 687 ND2 ASN A 43 9.369 8.162 -10.794 1.00 0.00 N ATOM 0 H ASN A 43 7.582 7.675 -6.683 1.00 0.00 H new ATOM 0 HA ASN A 43 7.692 7.463 -8.888 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.210 7.624 -8.286 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.272 5.893 -8.550 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.438 8.373 -11.789 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.903 8.816 -10.165 1.00 0.00 H new ATOM 694 N LYS A 44 6.881 4.740 -7.969 1.00 0.00 N ATOM 695 CA LYS A 44 6.281 3.444 -8.261 1.00 0.00 C ATOM 696 C LYS A 44 4.764 3.500 -8.107 1.00 0.00 C ATOM 697 O LYS A 44 4.247 3.595 -6.994 1.00 0.00 O ATOM 698 CB LYS A 44 6.864 2.369 -7.340 1.00 0.00 C ATOM 699 CG LYS A 44 7.945 1.527 -7.997 1.00 0.00 C ATOM 700 CD LYS A 44 8.887 0.925 -6.967 1.00 0.00 C ATOM 701 CE LYS A 44 10.027 0.168 -7.629 1.00 0.00 C ATOM 702 NZ LYS A 44 11.162 1.066 -7.978 1.00 0.00 N ATOM 0 H LYS A 44 6.604 5.141 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 44 6.512 3.188 -9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.277 2.848 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.059 1.715 -7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.483 0.729 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.513 2.142 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.292 1.717 -6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.332 0.251 -6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.378 -0.617 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.661 -0.322 -8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.918 0.511 -8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.834 1.801 -8.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.528 1.515 -7.114 1.00 0.00 H new ATOM 716 N LEU A 45 4.057 3.441 -9.230 1.00 0.00 N ATOM 717 CA LEU A 45 2.600 3.486 -9.218 1.00 0.00 C ATOM 718 C LEU A 45 2.011 2.091 -9.410 1.00 0.00 C ATOM 719 O LEU A 45 2.498 1.307 -10.224 1.00 0.00 O ATOM 720 CB LEU A 45 2.090 4.428 -10.313 1.00 0.00 C ATOM 721 CG LEU A 45 1.595 5.787 -9.817 1.00 0.00 C ATOM 722 CD1 LEU A 45 2.743 6.783 -9.756 1.00 0.00 C ATOM 723 CD2 LEU A 45 0.483 6.308 -10.714 1.00 0.00 C ATOM 0 H LEU A 45 4.469 3.362 -10.160 1.00 0.00 H new ATOM 0 HA LEU A 45 2.279 3.863 -8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.892 4.591 -11.033 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.277 3.935 -10.846 1.00 0.00 H new ATOM 0 HG LEU A 45 1.195 5.662 -8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.372 7.744 -9.401 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.508 6.415 -9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.172 6.905 -10.750 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.142 7.276 -10.346 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.858 6.418 -11.732 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.349 5.604 -10.708 1.00 0.00 H new ATOM 735 N GLY A 46 0.961 1.789 -8.653 1.00 0.00 N ATOM 736 CA GLY A 46 0.323 0.489 -8.754 1.00 0.00 C ATOM 737 C GLY A 46 -0.781 0.302 -7.732 1.00 0.00 C ATOM 738 O GLY A 46 -0.821 0.997 -6.717 1.00 0.00 O ATOM 0 H GLY A 46 0.541 2.421 -7.972 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.089 0.367 -9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.073 -0.291 -8.621 1.00 0.00 H new ATOM 742 N LEU A 47 -1.679 -0.640 -8.001 1.00 0.00 N ATOM 743 CA LEU A 47 -2.790 -0.917 -7.097 1.00 0.00 C ATOM 744 C LEU A 47 -2.598 -2.257 -6.395 1.00 0.00 C ATOM 745 O LEU A 47 -1.862 -3.120 -6.874 1.00 0.00 O ATOM 746 CB LEU A 47 -4.113 -0.916 -7.866 1.00 0.00 C ATOM 747 CG LEU A 47 -4.242 0.172 -8.933 1.00 0.00 C ATOM 748 CD1 LEU A 47 -3.533 -0.248 -10.211 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.706 0.476 -9.208 1.00 0.00 C ATOM 0 H LEU A 47 -1.659 -1.224 -8.837 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.816 -0.132 -6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.239 -1.888 -8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.930 -0.803 -7.153 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.767 1.079 -8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.635 0.538 -10.959 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.476 -0.415 -10.003 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.979 -1.168 -10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.780 1.252 -9.970 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.205 -0.427 -9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.184 0.821 -8.291 1.00 0.00 H new ATOM 761 N PHE A 48 -3.265 -2.426 -5.258 1.00 0.00 N ATOM 762 CA PHE A 48 -3.166 -3.663 -4.492 1.00 0.00 C ATOM 763 C PHE A 48 -4.261 -3.742 -3.431 1.00 0.00 C ATOM 764 O PHE A 48 -4.875 -2.733 -3.083 1.00 0.00 O ATOM 765 CB PHE A 48 -1.789 -3.781 -3.828 1.00 0.00 C ATOM 766 CG PHE A 48 -1.171 -2.462 -3.448 1.00 0.00 C ATOM 767 CD1 PHE A 48 -1.951 -1.430 -2.949 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.192 -2.259 -3.587 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.381 -0.221 -2.598 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.767 -1.053 -3.238 1.00 0.00 C ATOM 771 CZ PHE A 48 -0.021 -0.032 -2.742 1.00 0.00 C ATOM 0 H PHE A 48 -3.879 -1.723 -4.847 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.296 -4.493 -5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.881 -4.397 -2.934 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.115 -4.303 -4.507 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.015 -1.572 -2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.813 -3.054 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.999 0.576 -2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.831 -0.908 -3.353 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.426 0.912 -2.468 1.00 0.00 H new ATOM 781 N PRO A 49 -4.519 -4.950 -2.900 1.00 0.00 N ATOM 782 CA PRO A 49 -5.544 -5.161 -1.872 1.00 0.00 C ATOM 783 C PRO A 49 -5.278 -4.342 -0.613 1.00 0.00 C ATOM 784 O PRO A 49 -4.191 -4.402 -0.037 1.00 0.00 O ATOM 785 CB PRO A 49 -5.454 -6.661 -1.565 1.00 0.00 C ATOM 786 CG PRO A 49 -4.119 -7.084 -2.077 1.00 0.00 C ATOM 787 CD PRO A 49 -3.836 -6.203 -3.257 1.00 0.00 C ATOM 0 HA PRO A 49 -6.530 -4.847 -2.216 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.544 -6.850 -0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.257 -7.212 -2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.352 -6.970 -1.311 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.126 -8.135 -2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.766 -6.053 -3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.227 -6.627 -4.182 1.00 0.00 H new ATOM 795 N SER A 50 -6.279 -3.577 -0.192 1.00 0.00 N ATOM 796 CA SER A 50 -6.162 -2.742 0.997 1.00 0.00 C ATOM 797 C SER A 50 -5.995 -3.587 2.259 1.00 0.00 C ATOM 798 O SER A 50 -5.534 -3.093 3.288 1.00 0.00 O ATOM 799 CB SER A 50 -7.392 -1.843 1.134 1.00 0.00 C ATOM 800 OG SER A 50 -8.563 -2.610 1.356 1.00 0.00 O ATOM 0 H SER A 50 -7.184 -3.518 -0.659 1.00 0.00 H new ATOM 0 HA SER A 50 -5.272 -2.124 0.882 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.247 -1.147 1.960 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.511 -1.245 0.231 1.00 0.00 H new ATOM 0 HG SER A 50 -8.890 -2.962 0.502 1.00 0.00 H new ATOM 806 N ASN A 51 -6.379 -4.858 2.179 1.00 0.00 N ATOM 807 CA ASN A 51 -6.275 -5.757 3.324 1.00 0.00 C ATOM 808 C ASN A 51 -4.822 -5.936 3.759 1.00 0.00 C ATOM 809 O ASN A 51 -4.551 -6.248 4.919 1.00 0.00 O ATOM 810 CB ASN A 51 -6.891 -7.119 2.992 1.00 0.00 C ATOM 811 CG ASN A 51 -6.441 -7.649 1.645 1.00 0.00 C ATOM 812 OD1 ASN A 51 -7.218 -7.696 0.692 1.00 0.00 O ATOM 813 ND2 ASN A 51 -5.179 -8.055 1.561 1.00 0.00 N ATOM 0 H ASN A 51 -6.763 -5.287 1.337 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.826 -5.307 4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.621 -7.835 3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.978 -7.034 3.000 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.819 -8.424 0.681 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.570 -7.998 2.377 1.00 0.00 H new ATOM 820 N PHE A 52 -3.891 -5.735 2.831 1.00 0.00 N ATOM 821 CA PHE A 52 -2.472 -5.875 3.139 1.00 0.00 C ATOM 822 C PHE A 52 -1.990 -4.713 4.010 1.00 0.00 C ATOM 823 O PHE A 52 -2.009 -4.814 5.235 1.00 0.00 O ATOM 824 CB PHE A 52 -1.649 -5.960 1.848 1.00 0.00 C ATOM 825 CG PHE A 52 -1.203 -7.355 1.511 1.00 0.00 C ATOM 826 CD1 PHE A 52 -2.018 -8.196 0.770 1.00 0.00 C ATOM 827 CD2 PHE A 52 0.031 -7.824 1.934 1.00 0.00 C ATOM 828 CE1 PHE A 52 -1.611 -9.480 0.458 1.00 0.00 C ATOM 829 CE2 PHE A 52 0.443 -9.106 1.624 1.00 0.00 C ATOM 830 CZ PHE A 52 -0.378 -9.935 0.885 1.00 0.00 C ATOM 0 H PHE A 52 -4.092 -5.476 1.865 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.332 -6.800 3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.242 -5.567 1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.772 -5.320 1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.982 -7.845 0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.677 -7.180 2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.256 -10.127 -0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.407 -9.460 1.959 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.057 -10.937 0.641 1.00 0.00 H new ATOM 840 N VAL A 53 -1.560 -3.619 3.361 1.00 0.00 N ATOM 841 CA VAL A 53 -1.071 -2.409 4.045 1.00 0.00 C ATOM 842 C VAL A 53 -1.470 -2.345 5.520 1.00 0.00 C ATOM 843 O VAL A 53 -2.562 -2.770 5.897 1.00 0.00 O ATOM 844 CB VAL A 53 -1.576 -1.134 3.344 1.00 0.00 C ATOM 845 CG1 VAL A 53 -0.971 -1.013 1.954 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.095 -1.126 3.277 1.00 0.00 C ATOM 0 H VAL A 53 -1.541 -3.548 2.344 1.00 0.00 H new ATOM 0 HA VAL A 53 0.016 -2.466 3.992 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.258 -0.271 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.340 -0.106 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.115 -0.966 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.254 -1.880 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.432 -0.217 2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.439 -1.996 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.504 -1.159 4.287 1.00 0.00 H new ATOM 856 N LYS A 54 -0.592 -1.788 6.349 1.00 0.00 N ATOM 857 CA LYS A 54 -0.878 -1.662 7.772 1.00 0.00 C ATOM 858 C LYS A 54 -0.744 -0.219 8.245 1.00 0.00 C ATOM 859 O LYS A 54 0.273 0.431 8.012 1.00 0.00 O ATOM 860 CB LYS A 54 0.033 -2.572 8.600 1.00 0.00 C ATOM 861 CG LYS A 54 -0.568 -2.967 9.940 1.00 0.00 C ATOM 862 CD LYS A 54 0.283 -2.480 11.102 1.00 0.00 C ATOM 863 CE LYS A 54 1.311 -3.521 11.514 1.00 0.00 C ATOM 864 NZ LYS A 54 2.628 -3.293 10.857 1.00 0.00 N ATOM 0 H LYS A 54 0.315 -1.420 6.062 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.912 -1.974 7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.251 -3.474 8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.983 -2.065 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.572 -2.552 10.025 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.666 -4.051 9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.791 -1.557 10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.359 -2.245 11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.437 -3.498 12.596 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.944 -4.515 11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.235 -4.125 10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.486 -3.137 9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.084 -2.457 11.274 1.00 0.00 H new ATOM 878 N GLU A 55 -1.782 0.274 8.913 1.00 0.00 N ATOM 879 CA GLU A 55 -1.786 1.640 9.424 1.00 0.00 C ATOM 880 C GLU A 55 -0.823 1.787 10.597 1.00 0.00 C ATOM 881 O GLU A 55 -0.773 0.933 11.483 1.00 0.00 O ATOM 882 CB GLU A 55 -3.197 2.042 9.856 1.00 0.00 C ATOM 883 CG GLU A 55 -3.407 3.545 9.928 1.00 0.00 C ATOM 884 CD GLU A 55 -4.822 3.954 9.568 1.00 0.00 C ATOM 885 OE1 GLU A 55 -5.761 3.205 9.910 1.00 0.00 O ATOM 886 OE2 GLU A 55 -4.991 5.022 8.944 1.00 0.00 O ATOM 0 H GLU A 55 -2.632 -0.253 9.113 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.456 2.300 8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.917 1.616 9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.406 1.607 10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.178 3.892 10.935 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.707 4.039 9.254 1.00 0.00 H new ATOM 893 N LEU A 56 -0.062 2.875 10.596 1.00 0.00 N ATOM 894 CA LEU A 56 0.899 3.137 11.661 1.00 0.00 C ATOM 895 C LEU A 56 0.213 3.767 12.868 1.00 0.00 C ATOM 896 O LEU A 56 -0.819 4.424 12.735 1.00 0.00 O ATOM 897 CB LEU A 56 2.013 4.057 11.155 1.00 0.00 C ATOM 898 CG LEU A 56 1.544 5.422 10.649 1.00 0.00 C ATOM 899 CD1 LEU A 56 1.595 6.452 11.767 1.00 0.00 C ATOM 900 CD2 LEU A 56 2.391 5.873 9.469 1.00 0.00 C ATOM 0 H LEU A 56 -0.092 3.590 9.869 1.00 0.00 H new ATOM 0 HA LEU A 56 1.334 2.186 11.968 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.730 4.212 11.961 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.544 3.550 10.349 1.00 0.00 H new ATOM 0 HG LEU A 56 0.511 5.328 10.315 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.258 7.417 11.388 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.946 6.135 12.583 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.618 6.543 12.132 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.043 6.846 9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.434 5.949 9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.304 5.147 8.660 1.00 0.00 H new