USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 426 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 25 TYR OH : rot 180:sc= -0.3 USER MOD Set 1.2: A 29 THR OG1 : rot 129:sc= 1.13 USER MOD Set 1.3: A 31 THR OG1 : rot 97:sc= 1.09 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.437 K(o=0.44,f=-6.5!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= -0.0286 (180deg=-0.251) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.554 F(o=-3.9!,f=-0.55) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -110:sc= 0.548 USER MOD Single : A 42 THR OG1 : rot -120:sc= 0 USER MOD Single : A 43 THR OG1 : rot 112:sc= -0.273 USER MOD Single : A 44 TYR OH : rot -30:sc= 1.22 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.2 F(o=-3.8!,f=-0.2) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 0.634 (180deg=-0.0262) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= -0.0173 (180deg=-0.186) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 8.210 1.129 10.561 1.00 0.00 N ATOM 2 CA ARG A 1 7.788 1.922 9.383 1.00 0.00 C ATOM 3 C ARG A 1 8.955 2.065 8.411 1.00 0.00 C ATOM 4 O ARG A 1 9.720 3.029 8.478 1.00 0.00 O ATOM 5 CB ARG A 1 7.298 3.295 9.874 1.00 0.00 C ATOM 6 CG ARG A 1 6.336 3.997 8.929 1.00 0.00 C ATOM 7 CD ARG A 1 5.093 3.151 8.662 1.00 0.00 C ATOM 8 NE ARG A 1 3.913 3.966 8.364 1.00 0.00 N ATOM 9 CZ ARG A 1 3.176 4.581 9.296 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.466 4.438 10.580 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.147 5.335 8.941 1.00 0.00 N ATOM 0 H1 ARG A 1 7.411 1.035 11.220 1.00 0.00 H new ATOM 0 H2 ARG A 1 8.517 0.185 10.252 1.00 0.00 H new ATOM 0 H3 ARG A 1 8.998 1.610 11.039 1.00 0.00 H new ATOM 0 HA ARG A 1 6.977 1.422 8.854 1.00 0.00 H new ATOM 0 HB2 ARG A 1 6.810 3.168 10.840 1.00 0.00 H new ATOM 0 HB3 ARG A 1 8.163 3.939 10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.040 4.955 9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 1 6.841 4.210 7.987 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.287 2.479 7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.889 2.526 9.532 1.00 0.00 H new ATOM 0 HE ARG A 1 3.637 4.071 7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.255 3.857 10.863 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.901 4.909 11.286 1.00 0.00 H new ATOM 0 HH21 ARG A 1 1.914 5.448 7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 1 1.587 5.802 9.654 1.00 0.00 H new ATOM 27 N ILE A 2 9.108 1.081 7.528 1.00 0.00 N ATOM 28 CA ILE A 2 10.199 1.081 6.568 1.00 0.00 C ATOM 29 C ILE A 2 9.926 1.974 5.360 1.00 0.00 C ATOM 30 O ILE A 2 8.785 2.355 5.086 1.00 0.00 O ATOM 31 CB ILE A 2 10.511 -0.343 6.042 1.00 0.00 C ATOM 32 CG1 ILE A 2 9.239 -0.991 5.489 1.00 0.00 C ATOM 33 CG2 ILE A 2 11.145 -1.230 7.118 1.00 0.00 C ATOM 34 CD1 ILE A 2 9.498 -2.291 4.765 1.00 0.00 C ATOM 0 H ILE A 2 8.487 0.274 7.461 1.00 0.00 H new ATOM 0 HA ILE A 2 11.054 1.473 7.120 1.00 0.00 H new ATOM 0 HB ILE A 2 11.241 -0.244 5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.545 -1.172 6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.751 -0.294 4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 2 11.346 -2.218 6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 2 12.079 -0.781 7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.462 -1.323 7.962 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.555 -2.697 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 2 10.168 -2.112 3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.958 -3.003 5.450 1.00 0.00 H new ATOM 46 N PRO A 3 11.005 2.303 4.621 1.00 0.00 N ATOM 47 CA PRO A 3 10.958 3.151 3.413 1.00 0.00 C ATOM 48 C PRO A 3 10.293 2.483 2.203 1.00 0.00 C ATOM 49 O PRO A 3 10.612 2.828 1.061 1.00 0.00 O ATOM 50 CB PRO A 3 12.440 3.392 3.109 1.00 0.00 C ATOM 51 CG PRO A 3 13.118 2.188 3.651 1.00 0.00 C ATOM 52 CD PRO A 3 12.386 1.867 4.919 1.00 0.00 C ATOM 0 HA PRO A 3 10.363 4.047 3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.615 3.501 2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.802 4.303 3.586 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.070 1.358 2.947 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.173 2.382 3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.432 0.804 5.154 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.803 2.401 5.773 1.00 0.00 H new ATOM 60 N VAL A 4 9.384 1.534 2.458 1.00 0.00 N ATOM 61 CA VAL A 4 8.667 0.812 1.393 1.00 0.00 C ATOM 62 C VAL A 4 9.581 -0.224 0.730 1.00 0.00 C ATOM 63 O VAL A 4 10.806 -0.080 0.723 1.00 0.00 O ATOM 64 CB VAL A 4 8.080 1.795 0.325 1.00 0.00 C ATOM 65 CG1 VAL A 4 7.276 1.063 -0.738 1.00 0.00 C ATOM 66 CG2 VAL A 4 7.216 2.863 0.992 1.00 0.00 C ATOM 0 H VAL A 4 9.124 1.244 3.401 1.00 0.00 H new ATOM 0 HA VAL A 4 7.830 0.290 1.856 1.00 0.00 H new ATOM 0 HB VAL A 4 8.925 2.276 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.887 1.782 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.918 0.346 -1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.446 0.535 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.818 3.536 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.392 2.386 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.821 3.431 1.699 1.00 0.00 H new ATOM 76 N LYS A 5 8.979 -1.274 0.187 1.00 0.00 N ATOM 77 CA LYS A 5 9.733 -2.328 -0.465 1.00 0.00 C ATOM 78 C LYS A 5 9.839 -2.074 -1.964 1.00 0.00 C ATOM 79 O LYS A 5 10.732 -1.363 -2.418 1.00 0.00 O ATOM 80 CB LYS A 5 9.068 -3.680 -0.215 1.00 0.00 C ATOM 81 CG LYS A 5 9.635 -4.473 0.959 1.00 0.00 C ATOM 82 CD LYS A 5 11.113 -4.807 0.775 1.00 0.00 C ATOM 83 CE LYS A 5 11.708 -5.409 2.043 1.00 0.00 C ATOM 84 NZ LYS A 5 13.104 -5.879 1.834 1.00 0.00 N ATOM 0 H LYS A 5 7.969 -1.415 0.187 1.00 0.00 H new ATOM 0 HA LYS A 5 10.739 -2.337 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.004 -3.518 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.157 -4.284 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.506 -3.900 1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.068 -5.397 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.229 -5.508 -0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.661 -3.904 0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.691 -4.666 2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.090 -6.244 2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.471 -6.281 2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.118 -6.607 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.700 -5.078 1.544 1.00 0.00 H new ATOM 98 N TYR A 6 8.927 -2.668 -2.729 1.00 0.00 N ATOM 99 CA TYR A 6 8.929 -2.506 -4.177 1.00 0.00 C ATOM 100 C TYR A 6 7.673 -1.771 -4.642 1.00 0.00 C ATOM 101 O TYR A 6 6.802 -1.447 -3.835 1.00 0.00 O ATOM 102 CB TYR A 6 9.015 -3.869 -4.883 1.00 0.00 C ATOM 103 CG TYR A 6 9.779 -4.940 -4.112 1.00 0.00 C ATOM 104 CD1 TYR A 6 9.142 -5.741 -3.165 1.00 0.00 C ATOM 105 CD2 TYR A 6 11.137 -5.157 -4.335 1.00 0.00 C ATOM 106 CE1 TYR A 6 9.832 -6.719 -2.475 1.00 0.00 C ATOM 107 CE2 TYR A 6 11.830 -6.130 -3.642 1.00 0.00 C ATOM 108 CZ TYR A 6 11.172 -6.908 -2.719 1.00 0.00 C ATOM 109 OH TYR A 6 11.852 -7.893 -2.049 1.00 0.00 O ATOM 0 H TYR A 6 8.180 -3.263 -2.371 1.00 0.00 H new ATOM 0 HA TYR A 6 9.806 -1.915 -4.440 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.004 -4.229 -5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.491 -3.730 -5.854 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.090 -5.594 -2.967 1.00 0.00 H new ATOM 0 HD2 TYR A 6 11.658 -4.553 -5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.321 -7.332 -1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 6 12.884 -6.279 -3.824 1.00 0.00 H new ATOM 0 HH TYR A 6 12.789 -7.897 -2.336 1.00 0.00 H new ATOM 119 N GLY A 7 7.582 -1.524 -5.945 1.00 0.00 N ATOM 120 CA GLY A 7 6.432 -0.842 -6.508 1.00 0.00 C ATOM 121 C GLY A 7 6.830 0.358 -7.332 1.00 0.00 C ATOM 122 O GLY A 7 7.913 0.386 -7.916 1.00 0.00 O ATOM 0 H GLY A 7 8.293 -1.788 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.868 -1.537 -7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.769 -0.525 -5.703 1.00 0.00 H new ATOM 126 N ASN A 8 5.946 1.341 -7.404 1.00 0.00 N ATOM 127 CA ASN A 8 6.206 2.543 -8.197 1.00 0.00 C ATOM 128 C ASN A 8 6.346 3.788 -7.318 1.00 0.00 C ATOM 129 O ASN A 8 6.369 4.911 -7.821 1.00 0.00 O ATOM 130 CB ASN A 8 5.085 2.742 -9.223 1.00 0.00 C ATOM 131 CG ASN A 8 3.792 3.245 -8.611 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.456 2.925 -7.469 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.035 4.003 -9.388 1.00 0.00 N ATOM 0 H ASN A 8 5.044 1.335 -6.927 1.00 0.00 H new ATOM 0 HA ASN A 8 7.154 2.402 -8.715 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.419 3.450 -9.982 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.895 1.796 -9.730 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.136 4.345 -9.047 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.350 4.245 -10.327 1.00 0.00 H new ATOM 140 N ALA A 9 6.438 3.583 -6.008 1.00 0.00 N ATOM 141 CA ALA A 9 6.577 4.684 -5.065 1.00 0.00 C ATOM 142 C ALA A 9 8.009 5.200 -5.023 1.00 0.00 C ATOM 143 O ALA A 9 8.954 4.476 -5.348 1.00 0.00 O ATOM 144 CB ALA A 9 6.121 4.256 -3.682 1.00 0.00 C ATOM 0 H ALA A 9 6.419 2.660 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 9 5.941 5.501 -5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.231 5.090 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.075 3.952 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.729 3.418 -3.341 1.00 0.00 H new ATOM 150 N ASP A 10 8.159 6.460 -4.628 1.00 0.00 N ATOM 151 CA ASP A 10 9.469 7.098 -4.547 1.00 0.00 C ATOM 152 C ASP A 10 10.268 6.582 -3.357 1.00 0.00 C ATOM 153 O ASP A 10 11.231 5.832 -3.525 1.00 0.00 O ATOM 154 CB ASP A 10 9.301 8.616 -4.457 1.00 0.00 C ATOM 155 CG ASP A 10 10.614 9.338 -4.295 1.00 0.00 C ATOM 156 OD1 ASP A 10 11.530 9.096 -5.100 1.00 0.00 O ATOM 157 OD2 ASP A 10 10.725 10.158 -3.368 1.00 0.00 O ATOM 0 H ASP A 10 7.383 7.064 -4.357 1.00 0.00 H new ATOM 0 HA ASP A 10 10.025 6.849 -5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.802 8.976 -5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.653 8.856 -3.614 1.00 0.00 H new ATOM 162 N GLY A 11 9.881 6.988 -2.156 1.00 0.00 N ATOM 163 CA GLY A 11 10.594 6.549 -0.972 1.00 0.00 C ATOM 164 C GLY A 11 9.984 7.050 0.322 1.00 0.00 C ATOM 165 O GLY A 11 10.705 7.392 1.255 1.00 0.00 O ATOM 0 H GLY A 11 9.092 7.609 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.618 5.459 -0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.628 6.890 -1.033 1.00 0.00 H new ATOM 169 N GLU A 12 8.656 7.080 0.388 1.00 0.00 N ATOM 170 CA GLU A 12 7.963 7.527 1.593 1.00 0.00 C ATOM 171 C GLU A 12 7.682 6.347 2.523 1.00 0.00 C ATOM 172 O GLU A 12 8.446 5.380 2.564 1.00 0.00 O ATOM 173 CB GLU A 12 6.653 8.244 1.237 1.00 0.00 C ATOM 174 CG GLU A 12 6.834 9.689 0.793 1.00 0.00 C ATOM 175 CD GLU A 12 7.222 10.609 1.930 1.00 0.00 C ATOM 176 OE1 GLU A 12 8.284 10.385 2.544 1.00 0.00 O ATOM 177 OE2 GLU A 12 6.463 11.562 2.203 1.00 0.00 O ATOM 0 H GLU A 12 8.040 6.801 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 12 8.613 8.233 2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.154 7.691 0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.992 8.222 2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.600 9.733 0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.907 10.045 0.344 1.00 0.00 H new ATOM 184 N TYR A 13 6.590 6.441 3.269 1.00 0.00 N ATOM 185 CA TYR A 13 6.190 5.413 4.201 1.00 0.00 C ATOM 186 C TYR A 13 4.779 4.935 3.894 1.00 0.00 C ATOM 187 O TYR A 13 4.063 5.569 3.118 1.00 0.00 O ATOM 188 CB TYR A 13 6.250 5.956 5.619 1.00 0.00 C ATOM 189 CG TYR A 13 5.378 7.157 5.848 1.00 0.00 C ATOM 190 CD1 TYR A 13 5.649 8.365 5.228 1.00 0.00 C ATOM 191 CD2 TYR A 13 4.281 7.074 6.685 1.00 0.00 C ATOM 192 CE1 TYR A 13 4.839 9.467 5.433 1.00 0.00 C ATOM 193 CE2 TYR A 13 3.465 8.165 6.901 1.00 0.00 C ATOM 194 CZ TYR A 13 3.749 9.361 6.274 1.00 0.00 C ATOM 195 OH TYR A 13 2.934 10.449 6.487 1.00 0.00 O ATOM 0 H TYR A 13 5.957 7.240 3.239 1.00 0.00 H new ATOM 0 HA TYR A 13 6.873 4.569 4.105 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.956 5.168 6.312 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.282 6.218 5.854 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.505 8.448 4.575 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.059 6.139 7.178 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.057 10.403 4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.610 8.084 7.556 1.00 0.00 H new ATOM 0 HH TYR A 13 2.214 10.202 7.104 1.00 0.00 H new ATOM 205 N CYS A 14 4.372 3.834 4.515 1.00 0.00 N ATOM 206 CA CYS A 14 3.032 3.314 4.309 1.00 0.00 C ATOM 207 C CYS A 14 2.011 4.303 4.848 1.00 0.00 C ATOM 208 O CYS A 14 2.089 4.721 6.008 1.00 0.00 O ATOM 209 CB CYS A 14 2.852 1.960 4.992 1.00 0.00 C ATOM 210 SG CYS A 14 3.513 0.542 4.055 1.00 0.00 S ATOM 0 H CYS A 14 4.947 3.291 5.159 1.00 0.00 H new ATOM 0 HA CYS A 14 2.881 3.176 3.238 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.338 1.992 5.967 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.789 1.797 5.171 1.00 0.00 H new ATOM 215 N LYS A 15 1.065 4.682 4.003 1.00 0.00 N ATOM 216 CA LYS A 15 0.035 5.636 4.389 1.00 0.00 C ATOM 217 C LYS A 15 -1.041 4.929 5.194 1.00 0.00 C ATOM 218 O LYS A 15 -1.816 4.137 4.656 1.00 0.00 O ATOM 219 CB LYS A 15 -0.580 6.301 3.149 1.00 0.00 C ATOM 220 CG LYS A 15 -0.901 7.783 3.328 1.00 0.00 C ATOM 221 CD LYS A 15 -1.951 8.011 4.403 1.00 0.00 C ATOM 222 CE LYS A 15 -2.301 9.483 4.541 1.00 0.00 C ATOM 223 NZ LYS A 15 -1.108 10.318 4.848 1.00 0.00 N ATOM 0 H LYS A 15 0.988 4.343 3.044 1.00 0.00 H new ATOM 0 HA LYS A 15 0.489 6.414 5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.108 6.188 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.495 5.772 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.009 8.322 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.254 8.194 2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.850 7.444 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.584 7.633 5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.760 9.834 3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.042 9.606 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.415 11.270 5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.569 9.882 5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.505 10.386 4.003 1.00 0.00 H new ATOM 237 N PHE A 16 -1.078 5.209 6.481 1.00 0.00 N ATOM 238 CA PHE A 16 -2.055 4.599 7.362 1.00 0.00 C ATOM 239 C PHE A 16 -2.946 5.666 7.980 1.00 0.00 C ATOM 240 O PHE A 16 -2.475 6.504 8.749 1.00 0.00 O ATOM 241 CB PHE A 16 -1.356 3.798 8.468 1.00 0.00 C ATOM 242 CG PHE A 16 -0.610 2.590 7.972 1.00 0.00 C ATOM 243 CD1 PHE A 16 -0.936 2.003 6.762 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.418 2.041 8.718 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.259 0.897 6.303 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.106 0.931 8.266 1.00 0.00 C ATOM 247 CZ PHE A 16 0.770 0.353 7.053 1.00 0.00 C ATOM 0 H PHE A 16 -0.440 5.858 6.942 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.671 3.919 6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.659 4.453 8.991 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.101 3.478 9.197 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.736 2.420 6.168 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.686 2.485 9.665 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.530 0.453 5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.906 0.514 8.859 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.306 -0.514 6.695 1.00 0.00 H new ATOM 257 N PRO A 17 -4.242 5.657 7.650 1.00 0.00 N ATOM 258 CA PRO A 17 -4.833 4.687 6.743 1.00 0.00 C ATOM 259 C PRO A 17 -4.879 5.184 5.299 1.00 0.00 C ATOM 260 O PRO A 17 -4.946 6.389 5.047 1.00 0.00 O ATOM 261 CB PRO A 17 -6.255 4.534 7.293 1.00 0.00 C ATOM 262 CG PRO A 17 -6.516 5.754 8.141 1.00 0.00 C ATOM 263 CD PRO A 17 -5.255 6.590 8.142 1.00 0.00 C ATOM 0 HA PRO A 17 -4.261 3.760 6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.980 4.462 6.482 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.347 3.623 7.884 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.354 6.326 7.742 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.784 5.464 9.157 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.348 7.462 7.495 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.015 6.957 9.140 1.00 0.00 H new ATOM 271 N PHE A 18 -4.872 4.256 4.350 1.00 0.00 N ATOM 272 CA PHE A 18 -4.952 4.632 2.945 1.00 0.00 C ATOM 273 C PHE A 18 -6.323 4.266 2.398 1.00 0.00 C ATOM 274 O PHE A 18 -6.922 3.280 2.822 1.00 0.00 O ATOM 275 CB PHE A 18 -3.840 3.989 2.100 1.00 0.00 C ATOM 276 CG PHE A 18 -3.876 2.486 2.015 1.00 0.00 C ATOM 277 CD1 PHE A 18 -3.427 1.704 3.062 1.00 0.00 C ATOM 278 CD2 PHE A 18 -4.352 1.860 0.872 1.00 0.00 C ATOM 279 CE1 PHE A 18 -3.448 0.325 2.973 1.00 0.00 C ATOM 280 CE2 PHE A 18 -4.378 0.483 0.777 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.926 -0.290 1.830 1.00 0.00 C ATOM 0 H PHE A 18 -4.813 3.253 4.524 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.807 5.710 2.880 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.896 4.394 1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.876 4.289 2.511 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.056 2.176 3.960 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.707 2.458 0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.090 -0.274 3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.751 0.010 -0.119 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.946 -1.368 1.761 1.00 0.00 H new ATOM 291 N LEU A 19 -6.830 5.079 1.483 1.00 0.00 N ATOM 292 CA LEU A 19 -8.149 4.854 0.912 1.00 0.00 C ATOM 293 C LEU A 19 -8.107 3.872 -0.253 1.00 0.00 C ATOM 294 O LEU A 19 -7.557 4.174 -1.314 1.00 0.00 O ATOM 295 CB LEU A 19 -8.742 6.181 0.437 1.00 0.00 C ATOM 296 CG LEU A 19 -10.203 6.116 -0.007 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.108 5.886 1.188 1.00 0.00 C ATOM 298 CD2 LEU A 19 -10.600 7.385 -0.741 1.00 0.00 C ATOM 0 H LEU A 19 -6.347 5.901 1.120 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.774 4.421 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.656 6.909 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.142 6.553 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.316 5.277 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.145 5.842 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.841 4.946 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.989 6.705 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.644 7.317 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.471 8.243 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.970 7.508 -1.622 1.00 0.00 H new ATOM 310 N PHE A 20 -8.715 2.707 -0.063 1.00 0.00 N ATOM 311 CA PHE A 20 -8.779 1.701 -1.110 1.00 0.00 C ATOM 312 C PHE A 20 -10.236 1.460 -1.481 1.00 0.00 C ATOM 313 O PHE A 20 -10.949 0.745 -0.779 1.00 0.00 O ATOM 314 CB PHE A 20 -8.151 0.392 -0.648 1.00 0.00 C ATOM 315 CG PHE A 20 -7.826 -0.555 -1.761 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.808 -0.145 -3.087 1.00 0.00 C ATOM 317 CD2 PHE A 20 -7.547 -1.869 -1.464 1.00 0.00 C ATOM 318 CE1 PHE A 20 -7.513 -1.049 -4.090 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.254 -2.776 -2.458 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.237 -2.366 -3.777 1.00 0.00 C ATOM 0 H PHE A 20 -9.171 2.438 0.809 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.223 2.062 -1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.238 0.614 -0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.832 -0.100 0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.025 0.883 -3.336 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.558 -2.195 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.498 -0.725 -5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.038 -3.804 -2.207 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.009 -3.073 -4.561 1.00 0.00 H new ATOM 330 N ASN A 21 -10.667 2.074 -2.575 1.00 0.00 N ATOM 331 CA ASN A 21 -12.048 1.962 -3.071 1.00 0.00 C ATOM 332 C ASN A 21 -13.078 2.418 -2.031 1.00 0.00 C ATOM 333 O ASN A 21 -14.268 2.139 -2.172 1.00 0.00 O ATOM 334 CB ASN A 21 -12.361 0.530 -3.524 1.00 0.00 C ATOM 335 CG ASN A 21 -11.741 0.204 -4.868 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.525 0.281 -5.036 1.00 0.00 O ATOM 337 ND2 ASN A 21 -12.572 -0.159 -5.834 1.00 0.00 N ATOM 0 H ASN A 21 -10.072 2.669 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.123 2.629 -3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.994 -0.174 -2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.441 0.398 -3.583 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.209 -0.387 -6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.574 -0.210 -5.652 1.00 0.00 H new ATOM 344 N GLY A 22 -12.626 3.129 -1.002 1.00 0.00 N ATOM 345 CA GLY A 22 -13.531 3.614 0.027 1.00 0.00 C ATOM 346 C GLY A 22 -13.250 3.025 1.395 1.00 0.00 C ATOM 347 O GLY A 22 -13.808 3.474 2.399 1.00 0.00 O ATOM 0 H GLY A 22 -11.647 3.379 -0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.457 4.700 0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.556 3.379 -0.259 1.00 0.00 H new ATOM 351 N LYS A 23 -12.385 2.029 1.439 1.00 0.00 N ATOM 352 CA LYS A 23 -12.029 1.384 2.695 1.00 0.00 C ATOM 353 C LYS A 23 -10.624 1.796 3.110 1.00 0.00 C ATOM 354 O LYS A 23 -9.662 1.562 2.379 1.00 0.00 O ATOM 355 CB LYS A 23 -12.124 -0.143 2.545 1.00 0.00 C ATOM 356 CG LYS A 23 -12.093 -0.917 3.863 1.00 0.00 C ATOM 357 CD LYS A 23 -12.259 -2.411 3.616 1.00 0.00 C ATOM 358 CE LYS A 23 -12.616 -3.174 4.886 1.00 0.00 C ATOM 359 NZ LYS A 23 -11.501 -3.205 5.871 1.00 0.00 N ATOM 0 H LYS A 23 -11.914 1.646 0.619 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.726 1.700 3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.047 -0.386 2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.300 -0.485 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.150 -0.731 4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.888 -0.561 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.038 -2.569 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.334 -2.813 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.490 -2.714 5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.893 -4.195 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.798 -3.736 6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.673 -3.668 5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.252 -2.233 6.144 1.00 0.00 H new ATOM 373 N GLU A 24 -10.507 2.418 4.278 1.00 0.00 N ATOM 374 CA GLU A 24 -9.209 2.856 4.778 1.00 0.00 C ATOM 375 C GLU A 24 -8.551 1.749 5.592 1.00 0.00 C ATOM 376 O GLU A 24 -9.146 1.214 6.527 1.00 0.00 O ATOM 377 CB GLU A 24 -9.356 4.118 5.630 1.00 0.00 C ATOM 378 CG GLU A 24 -9.831 5.333 4.852 1.00 0.00 C ATOM 379 CD GLU A 24 -9.861 6.590 5.693 1.00 0.00 C ATOM 380 OE1 GLU A 24 -9.608 6.500 6.912 1.00 0.00 O ATOM 381 OE2 GLU A 24 -10.144 7.666 5.140 1.00 0.00 O ATOM 0 H GLU A 24 -11.292 2.630 4.894 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.575 3.087 3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.059 3.919 6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.396 4.347 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.176 5.490 3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.829 5.140 4.459 1.00 0.00 H new ATOM 388 N TYR A 25 -7.328 1.397 5.226 1.00 0.00 N ATOM 389 CA TYR A 25 -6.598 0.339 5.920 1.00 0.00 C ATOM 390 C TYR A 25 -5.554 0.910 6.861 1.00 0.00 C ATOM 391 O TYR A 25 -4.733 1.738 6.467 1.00 0.00 O ATOM 392 CB TYR A 25 -5.927 -0.601 4.922 1.00 0.00 C ATOM 393 CG TYR A 25 -6.904 -1.357 4.047 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.558 -0.715 3.005 1.00 0.00 C ATOM 395 CD2 TYR A 25 -7.184 -2.698 4.274 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.463 -1.386 2.206 1.00 0.00 C ATOM 397 CE2 TYR A 25 -8.090 -3.377 3.474 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.723 -2.717 2.446 1.00 0.00 C ATOM 399 OH TYR A 25 -9.626 -3.391 1.655 1.00 0.00 O ATOM 0 H TYR A 25 -6.818 1.826 4.454 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.324 -0.222 6.508 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.256 -0.023 4.287 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.312 -1.317 5.467 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.356 0.329 2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.691 -3.217 5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.963 -0.871 1.399 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.298 -4.421 3.657 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.694 -4.321 1.956 1.00 0.00 H new ATOM 409 N ASN A 26 -5.579 0.448 8.104 1.00 0.00 N ATOM 410 CA ASN A 26 -4.619 0.899 9.114 1.00 0.00 C ATOM 411 C ASN A 26 -3.335 0.096 9.005 1.00 0.00 C ATOM 412 O ASN A 26 -2.362 0.349 9.719 1.00 0.00 O ATOM 413 CB ASN A 26 -5.187 0.764 10.537 1.00 0.00 C ATOM 414 CG ASN A 26 -6.316 1.738 10.839 1.00 0.00 C ATOM 415 OD1 ASN A 26 -6.805 2.430 9.822 1.00 0.00 O flip ATOM 416 ND2 ASN A 26 -6.750 1.860 11.986 1.00 0.00 N flip ATOM 0 H ASN A 26 -6.253 -0.240 8.442 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.415 1.953 8.927 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.549 -0.254 10.679 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.383 0.919 11.256 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.348 1.310 12.745 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.511 2.511 12.177 1.00 0.00 H new ATOM 423 N SER A 27 -3.344 -0.877 8.108 1.00 0.00 N ATOM 424 CA SER A 27 -2.194 -1.729 7.887 1.00 0.00 C ATOM 425 C SER A 27 -2.129 -2.140 6.422 1.00 0.00 C ATOM 426 O SER A 27 -2.913 -1.661 5.599 1.00 0.00 O ATOM 427 CB SER A 27 -2.277 -2.968 8.782 1.00 0.00 C ATOM 428 OG SER A 27 -3.485 -3.676 8.557 1.00 0.00 O ATOM 0 H SER A 27 -4.146 -1.095 7.517 1.00 0.00 H new ATOM 0 HA SER A 27 -1.289 -1.177 8.139 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.426 -3.621 8.586 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.215 -2.670 9.829 1.00 0.00 H new ATOM 0 HG SER A 27 -3.515 -4.464 9.138 1.00 0.00 H new ATOM 434 N CYS A 28 -1.206 -3.027 6.095 1.00 0.00 N ATOM 435 CA CYS A 28 -1.063 -3.495 4.728 1.00 0.00 C ATOM 436 C CYS A 28 -2.105 -4.568 4.427 1.00 0.00 C ATOM 437 O CYS A 28 -2.457 -5.358 5.301 1.00 0.00 O ATOM 438 CB CYS A 28 0.341 -4.047 4.509 1.00 0.00 C ATOM 439 SG CYS A 28 1.661 -2.856 4.896 1.00 0.00 S ATOM 0 H CYS A 28 -0.546 -3.437 6.756 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.221 -2.656 4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.473 -4.936 5.126 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.441 -4.362 3.470 1.00 0.00 H new ATOM 444 N THR A 29 -2.605 -4.602 3.200 1.00 0.00 N ATOM 445 CA THR A 29 -3.602 -5.586 2.818 1.00 0.00 C ATOM 446 C THR A 29 -3.184 -6.290 1.533 1.00 0.00 C ATOM 447 O THR A 29 -2.381 -5.755 0.773 1.00 0.00 O ATOM 448 CB THR A 29 -4.971 -4.904 2.638 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.989 -5.863 2.414 1.00 0.00 O ATOM 450 CG2 THR A 29 -5.026 -3.897 1.494 1.00 0.00 C ATOM 0 H THR A 29 -2.336 -3.960 2.455 1.00 0.00 H new ATOM 0 HA THR A 29 -3.684 -6.332 3.608 1.00 0.00 H new ATOM 0 HB THR A 29 -5.129 -4.362 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.732 -5.702 3.033 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.025 -3.464 1.438 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.297 -3.106 1.670 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.795 -4.400 0.555 1.00 0.00 H new ATOM 458 N ASP A 30 -3.740 -7.473 1.273 1.00 0.00 N ATOM 459 CA ASP A 30 -3.425 -8.195 0.049 1.00 0.00 C ATOM 460 C ASP A 30 -4.580 -8.035 -0.928 1.00 0.00 C ATOM 461 O ASP A 30 -4.618 -8.659 -1.986 1.00 0.00 O ATOM 462 CB ASP A 30 -3.151 -9.672 0.295 1.00 0.00 C ATOM 463 CG ASP A 30 -2.951 -10.038 1.749 1.00 0.00 C ATOM 464 OD1 ASP A 30 -1.985 -9.555 2.369 1.00 0.00 O ATOM 465 OD2 ASP A 30 -3.769 -10.817 2.273 1.00 0.00 O ATOM 0 H ASP A 30 -4.403 -7.944 1.888 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.510 -7.771 -0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.983 -10.254 -0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.262 -9.962 -0.265 1.00 0.00 H new ATOM 470 N THR A 31 -5.525 -7.182 -0.548 1.00 0.00 N ATOM 471 CA THR A 31 -6.700 -6.901 -1.363 1.00 0.00 C ATOM 472 C THR A 31 -6.280 -6.305 -2.697 1.00 0.00 C ATOM 473 O THR A 31 -5.425 -5.423 -2.748 1.00 0.00 O ATOM 474 CB THR A 31 -7.608 -5.934 -0.618 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.922 -6.437 0.668 1.00 0.00 O ATOM 476 CG2 THR A 31 -8.908 -5.647 -1.329 1.00 0.00 C ATOM 0 H THR A 31 -5.498 -6.667 0.332 1.00 0.00 H new ATOM 0 HA THR A 31 -7.240 -7.829 -1.554 1.00 0.00 H new ATOM 0 HB THR A 31 -7.043 -5.004 -0.557 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.324 -6.034 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.501 -4.950 -0.736 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.700 -5.208 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.464 -6.576 -1.460 1.00 0.00 H new ATOM 484 N GLY A 32 -6.863 -6.802 -3.776 1.00 0.00 N ATOM 485 CA GLY A 32 -6.514 -6.315 -5.087 1.00 0.00 C ATOM 486 C GLY A 32 -5.353 -7.091 -5.675 1.00 0.00 C ATOM 487 O GLY A 32 -5.150 -7.103 -6.889 1.00 0.00 O ATOM 0 H GLY A 32 -7.572 -7.535 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.378 -6.393 -5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.254 -5.258 -5.027 1.00 0.00 H new ATOM 491 N ARG A 33 -4.595 -7.748 -4.805 1.00 0.00 N ATOM 492 CA ARG A 33 -3.451 -8.541 -5.218 1.00 0.00 C ATOM 493 C ARG A 33 -3.845 -9.998 -5.360 1.00 0.00 C ATOM 494 O ARG A 33 -4.570 -10.541 -4.524 1.00 0.00 O ATOM 495 CB ARG A 33 -2.325 -8.426 -4.193 1.00 0.00 C ATOM 496 CG ARG A 33 -1.694 -7.050 -4.100 1.00 0.00 C ATOM 497 CD ARG A 33 -1.074 -6.590 -5.413 1.00 0.00 C ATOM 498 NE ARG A 33 -0.132 -7.556 -5.980 1.00 0.00 N ATOM 499 CZ ARG A 33 0.741 -7.254 -6.934 1.00 0.00 C ATOM 500 NH1 ARG A 33 0.836 -6.005 -7.379 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.508 -8.207 -7.447 1.00 0.00 N ATOM 0 H ARG A 33 -4.758 -7.744 -3.798 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.105 -8.162 -6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.715 -8.700 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.550 -9.151 -4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.451 -6.329 -3.790 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.927 -7.060 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.868 -6.401 -6.135 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.559 -5.643 -5.251 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.147 -8.512 -5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.238 -5.277 -6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.507 -5.774 -8.112 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.425 -9.166 -7.108 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.180 -7.981 -8.180 1.00 0.00 H new ATOM 515 N SER A 34 -3.355 -10.628 -6.406 1.00 0.00 N ATOM 516 CA SER A 34 -3.649 -12.026 -6.647 1.00 0.00 C ATOM 517 C SER A 34 -2.624 -12.906 -5.936 1.00 0.00 C ATOM 518 O SER A 34 -2.876 -14.075 -5.649 1.00 0.00 O ATOM 519 CB SER A 34 -3.643 -12.309 -8.151 1.00 0.00 C ATOM 520 OG SER A 34 -4.385 -11.322 -8.856 1.00 0.00 O ATOM 0 H SER A 34 -2.751 -10.195 -7.104 1.00 0.00 H new ATOM 0 HA SER A 34 -4.639 -12.255 -6.252 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.617 -12.329 -8.517 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.068 -13.294 -8.341 1.00 0.00 H new ATOM 0 HG SER A 34 -4.366 -11.522 -9.815 1.00 0.00 H new ATOM 526 N ASP A 35 -1.455 -12.334 -5.669 1.00 0.00 N ATOM 527 CA ASP A 35 -0.373 -13.054 -5.016 1.00 0.00 C ATOM 528 C ASP A 35 -0.573 -13.155 -3.522 1.00 0.00 C ATOM 529 O ASP A 35 0.156 -13.863 -2.831 1.00 0.00 O ATOM 530 CB ASP A 35 0.981 -12.383 -5.278 1.00 0.00 C ATOM 531 CG ASP A 35 0.971 -11.229 -6.268 1.00 0.00 C ATOM 532 OD1 ASP A 35 0.072 -10.365 -6.188 1.00 0.00 O ATOM 533 OD2 ASP A 35 1.914 -11.140 -7.075 1.00 0.00 O ATOM 0 H ASP A 35 -1.234 -11.365 -5.898 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.381 -14.057 -5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.373 -12.018 -4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.676 -13.141 -5.640 1.00 0.00 H new ATOM 538 N GLY A 36 -1.537 -12.418 -3.026 1.00 0.00 N ATOM 539 CA GLY A 36 -1.788 -12.402 -1.606 1.00 0.00 C ATOM 540 C GLY A 36 -0.677 -11.675 -0.875 1.00 0.00 C ATOM 541 O GLY A 36 -0.312 -12.035 0.242 1.00 0.00 O ATOM 0 H GLY A 36 -2.156 -11.826 -3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.742 -11.914 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.868 -13.423 -1.234 1.00 0.00 H new ATOM 545 N PHE A 37 -0.133 -10.651 -1.528 1.00 0.00 N ATOM 546 CA PHE A 37 0.951 -9.863 -0.959 1.00 0.00 C ATOM 547 C PHE A 37 0.390 -8.616 -0.290 1.00 0.00 C ATOM 548 O PHE A 37 -0.458 -7.929 -0.860 1.00 0.00 O ATOM 549 CB PHE A 37 1.945 -9.464 -2.055 1.00 0.00 C ATOM 550 CG PHE A 37 3.347 -9.255 -1.555 1.00 0.00 C ATOM 551 CD1 PHE A 37 3.629 -8.251 -0.644 1.00 0.00 C ATOM 552 CD2 PHE A 37 4.380 -10.066 -1.994 1.00 0.00 C ATOM 553 CE1 PHE A 37 4.914 -8.057 -0.183 1.00 0.00 C ATOM 554 CE2 PHE A 37 5.672 -9.875 -1.535 1.00 0.00 C ATOM 555 CZ PHE A 37 5.938 -8.869 -0.629 1.00 0.00 C ATOM 0 H PHE A 37 -0.429 -10.348 -2.456 1.00 0.00 H new ATOM 0 HA PHE A 37 1.470 -10.465 -0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.955 -10.237 -2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.598 -8.547 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.833 -7.612 -0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.176 -10.856 -2.702 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.120 -7.270 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.470 -10.512 -1.885 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.945 -8.717 -0.269 1.00 0.00 H new ATOM 565 N LEU A 38 0.873 -8.319 0.909 1.00 0.00 N ATOM 566 CA LEU A 38 0.419 -7.153 1.640 1.00 0.00 C ATOM 567 C LEU A 38 1.087 -5.889 1.111 1.00 0.00 C ATOM 568 O LEU A 38 2.314 -5.792 1.049 1.00 0.00 O ATOM 569 CB LEU A 38 0.659 -7.296 3.162 1.00 0.00 C ATOM 570 CG LEU A 38 1.717 -8.313 3.665 1.00 0.00 C ATOM 571 CD1 LEU A 38 1.262 -9.752 3.468 1.00 0.00 C ATOM 572 CD2 LEU A 38 3.081 -8.090 3.019 1.00 0.00 C ATOM 0 H LEU A 38 1.580 -8.873 1.393 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.657 -7.073 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.938 -6.314 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.294 -7.558 3.622 1.00 0.00 H new ATOM 0 HG LEU A 38 1.823 -8.138 4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.033 -10.431 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.338 -9.920 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.089 -9.937 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.789 -8.825 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.994 -8.199 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.436 -7.087 3.255 1.00 0.00 H new ATOM 584 N TRP A 39 0.269 -4.923 0.723 1.00 0.00 N ATOM 585 CA TRP A 39 0.772 -3.667 0.193 1.00 0.00 C ATOM 586 C TRP A 39 0.120 -2.489 0.893 1.00 0.00 C ATOM 587 O TRP A 39 -0.844 -2.649 1.647 1.00 0.00 O ATOM 588 CB TRP A 39 0.533 -3.563 -1.322 1.00 0.00 C ATOM 589 CG TRP A 39 -0.916 -3.565 -1.724 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.719 -4.658 -1.877 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.736 -2.420 -2.028 1.00 0.00 C ATOM 592 NE1 TRP A 39 -2.976 -4.269 -2.253 1.00 0.00 N ATOM 593 CE2 TRP A 39 -3.013 -2.905 -2.357 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.521 -1.036 -2.059 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -4.061 -2.063 -2.708 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.570 -0.202 -2.414 1.00 0.00 C ATOM 597 CH2 TRP A 39 -3.823 -0.722 -2.732 1.00 0.00 C ATOM 0 H TRP A 39 -0.748 -4.986 0.766 1.00 0.00 H new ATOM 0 HA TRP A 39 1.846 -3.643 0.377 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.998 -2.648 -1.689 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.035 -4.395 -1.815 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.408 -5.681 -1.724 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.761 -4.896 -2.428 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.554 -0.625 -1.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.035 -2.460 -2.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.414 0.866 -2.445 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.622 -0.048 -3.003 1.00 0.00 H new ATOM 608 N CYS A 40 0.646 -1.308 0.632 1.00 0.00 N ATOM 609 CA CYS A 40 0.125 -0.091 1.216 1.00 0.00 C ATOM 610 C CYS A 40 0.274 1.042 0.215 1.00 0.00 C ATOM 611 O CYS A 40 1.208 1.043 -0.587 1.00 0.00 O ATOM 612 CB CYS A 40 0.885 0.247 2.503 1.00 0.00 C ATOM 613 SG CYS A 40 2.638 0.695 2.230 1.00 0.00 S ATOM 0 H CYS A 40 1.443 -1.167 0.012 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.928 -0.229 1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.382 1.074 3.004 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.839 -0.609 3.176 1.00 0.00 H new ATOM 618 N SER A 41 -0.628 2.005 0.258 1.00 0.00 N ATOM 619 CA SER A 41 -0.543 3.132 -0.652 1.00 0.00 C ATOM 620 C SER A 41 0.427 4.151 -0.084 1.00 0.00 C ATOM 621 O SER A 41 0.720 4.145 1.116 1.00 0.00 O ATOM 622 CB SER A 41 -1.920 3.775 -0.860 1.00 0.00 C ATOM 623 OG SER A 41 -1.873 4.827 -1.812 1.00 0.00 O ATOM 0 H SER A 41 -1.417 2.031 0.903 1.00 0.00 H new ATOM 0 HA SER A 41 -0.188 2.781 -1.621 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.629 3.016 -1.192 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.288 4.161 0.091 1.00 0.00 H new ATOM 0 HG SER A 41 -2.007 5.685 -1.358 1.00 0.00 H new ATOM 629 N THR A 42 0.906 5.033 -0.934 1.00 0.00 N ATOM 630 CA THR A 42 1.819 6.075 -0.504 1.00 0.00 C ATOM 631 C THR A 42 1.051 7.378 -0.388 1.00 0.00 C ATOM 632 O THR A 42 1.327 8.210 0.474 1.00 0.00 O ATOM 633 CB THR A 42 2.975 6.221 -1.490 1.00 0.00 C ATOM 634 OG1 THR A 42 3.467 4.947 -1.855 1.00 0.00 O ATOM 635 CG2 THR A 42 4.141 7.016 -0.939 1.00 0.00 C ATOM 0 H THR A 42 0.679 5.051 -1.928 1.00 0.00 H new ATOM 0 HA THR A 42 2.242 5.811 0.465 1.00 0.00 H new ATOM 0 HB THR A 42 2.565 6.758 -2.345 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.412 4.877 -1.605 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.926 7.080 -1.692 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.806 8.020 -0.678 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.531 6.521 -0.050 1.00 0.00 H new ATOM 643 N THR A 43 0.065 7.534 -1.257 1.00 0.00 N ATOM 644 CA THR A 43 -0.775 8.713 -1.257 1.00 0.00 C ATOM 645 C THR A 43 -2.074 8.410 -0.521 1.00 0.00 C ATOM 646 O THR A 43 -2.345 7.254 -0.185 1.00 0.00 O ATOM 647 CB THR A 43 -1.057 9.140 -2.699 1.00 0.00 C ATOM 648 OG1 THR A 43 -1.574 8.050 -3.447 1.00 0.00 O ATOM 649 CG2 THR A 43 0.172 9.642 -3.425 1.00 0.00 C ATOM 0 H THR A 43 -0.172 6.850 -1.976 1.00 0.00 H new ATOM 0 HA THR A 43 -0.267 9.530 -0.746 1.00 0.00 H new ATOM 0 HB THR A 43 -1.777 9.955 -2.626 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.512 8.222 -3.671 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.098 9.928 -4.442 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.577 10.507 -2.900 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.923 8.853 -3.457 1.00 0.00 H new ATOM 657 N TYR A 44 -2.878 9.433 -0.271 1.00 0.00 N ATOM 658 CA TYR A 44 -4.142 9.231 0.421 1.00 0.00 C ATOM 659 C TYR A 44 -5.144 8.558 -0.509 1.00 0.00 C ATOM 660 O TYR A 44 -5.750 7.544 -0.158 1.00 0.00 O ATOM 661 CB TYR A 44 -4.703 10.560 0.937 1.00 0.00 C ATOM 662 CG TYR A 44 -6.003 10.406 1.705 1.00 0.00 C ATOM 663 CD1 TYR A 44 -6.074 9.588 2.832 1.00 0.00 C ATOM 664 CD2 TYR A 44 -7.158 11.074 1.310 1.00 0.00 C ATOM 665 CE1 TYR A 44 -7.254 9.442 3.535 1.00 0.00 C ATOM 666 CE2 TYR A 44 -8.338 10.929 2.011 1.00 0.00 C ATOM 667 CZ TYR A 44 -8.381 10.117 3.120 1.00 0.00 C ATOM 668 OH TYR A 44 -9.557 9.981 3.814 1.00 0.00 O ATOM 0 H TYR A 44 -2.682 10.399 -0.533 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.964 8.584 1.280 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.962 11.033 1.582 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.865 11.230 0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.191 9.060 3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.131 11.716 0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.293 8.803 4.405 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.226 11.452 1.689 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.594 9.091 4.223 1.00 0.00 H new ATOM 678 N ASN A 45 -5.296 9.122 -1.699 1.00 0.00 N ATOM 679 CA ASN A 45 -6.211 8.573 -2.687 1.00 0.00 C ATOM 680 C ASN A 45 -5.433 7.670 -3.641 1.00 0.00 C ATOM 681 O ASN A 45 -4.691 8.149 -4.505 1.00 0.00 O ATOM 682 CB ASN A 45 -6.907 9.709 -3.452 1.00 0.00 C ATOM 683 CG ASN A 45 -8.107 9.297 -4.254 1.00 0.00 C ATOM 684 OD1 ASN A 45 -8.219 8.036 -4.597 1.00 0.00 O flip ATOM 685 ND2 ASN A 45 -8.936 10.138 -4.601 1.00 0.00 N flip ATOM 0 H ASN A 45 -4.798 9.959 -2.003 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.981 7.983 -2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.212 10.473 -2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.183 10.171 -4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.823 11.112 -4.319 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.736 9.861 -5.170 1.00 0.00 H new ATOM 692 N PHE A 46 -5.599 6.362 -3.476 1.00 0.00 N ATOM 693 CA PHE A 46 -4.901 5.391 -4.314 1.00 0.00 C ATOM 694 C PHE A 46 -5.509 5.323 -5.714 1.00 0.00 C ATOM 695 O PHE A 46 -4.809 5.073 -6.692 1.00 0.00 O ATOM 696 CB PHE A 46 -4.905 4.008 -3.644 1.00 0.00 C ATOM 697 CG PHE A 46 -4.205 2.942 -4.455 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.815 2.884 -4.502 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.928 2.012 -5.186 1.00 0.00 C ATOM 700 CE1 PHE A 46 -2.175 1.920 -5.256 1.00 0.00 C ATOM 701 CE2 PHE A 46 -4.288 1.050 -5.943 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.911 1.004 -5.978 1.00 0.00 C ATOM 0 H PHE A 46 -6.210 5.949 -2.771 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.868 5.720 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.425 4.085 -2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.936 3.701 -3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.231 3.600 -3.943 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.007 2.040 -5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.096 1.883 -5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.867 0.334 -6.507 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.409 0.252 -6.569 1.00 0.00 H new ATOM 712 N GLU A 47 -6.811 5.551 -5.805 1.00 0.00 N ATOM 713 CA GLU A 47 -7.514 5.517 -7.086 1.00 0.00 C ATOM 714 C GLU A 47 -7.019 6.620 -8.023 1.00 0.00 C ATOM 715 O GLU A 47 -6.986 6.445 -9.241 1.00 0.00 O ATOM 716 CB GLU A 47 -9.014 5.678 -6.848 1.00 0.00 C ATOM 717 CG GLU A 47 -9.883 5.056 -7.925 1.00 0.00 C ATOM 718 CD GLU A 47 -11.353 5.170 -7.607 1.00 0.00 C ATOM 719 OE1 GLU A 47 -11.794 4.565 -6.613 1.00 0.00 O ATOM 720 OE2 GLU A 47 -12.061 5.878 -8.345 1.00 0.00 O ATOM 0 H GLU A 47 -7.407 5.763 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.313 4.556 -7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.269 5.230 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.248 6.740 -6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.681 5.543 -8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.618 4.005 -8.041 1.00 0.00 H new ATOM 727 N LYS A 48 -6.651 7.754 -7.451 1.00 0.00 N ATOM 728 CA LYS A 48 -6.178 8.886 -8.240 1.00 0.00 C ATOM 729 C LYS A 48 -4.696 8.764 -8.599 1.00 0.00 C ATOM 730 O LYS A 48 -4.348 8.646 -9.773 1.00 0.00 O ATOM 731 CB LYS A 48 -6.457 10.212 -7.495 1.00 0.00 C ATOM 732 CG LYS A 48 -5.457 11.348 -7.763 1.00 0.00 C ATOM 733 CD LYS A 48 -5.633 12.000 -9.132 1.00 0.00 C ATOM 734 CE LYS A 48 -4.499 12.973 -9.427 1.00 0.00 C ATOM 735 NZ LYS A 48 -3.160 12.330 -9.302 1.00 0.00 N ATOM 0 H LYS A 48 -6.669 7.918 -6.444 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.731 8.884 -9.179 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.454 10.558 -7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.471 10.010 -6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.567 12.108 -6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.443 10.956 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.665 11.230 -9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.587 12.527 -9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.617 13.371 -10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.560 13.818 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.449 12.910 -9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.906 12.249 -8.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.189 11.382 -9.730 1.00 0.00 H new ATOM 749 N ASP A 49 -3.827 8.827 -7.599 1.00 0.00 N ATOM 750 CA ASP A 49 -2.390 8.766 -7.834 1.00 0.00 C ATOM 751 C ASP A 49 -1.935 7.375 -8.238 1.00 0.00 C ATOM 752 O ASP A 49 -1.207 7.210 -9.215 1.00 0.00 O ATOM 753 CB ASP A 49 -1.643 9.230 -6.588 1.00 0.00 C ATOM 754 CG ASP A 49 -1.873 10.695 -6.309 1.00 0.00 C ATOM 755 OD1 ASP A 49 -1.538 11.520 -7.180 1.00 0.00 O ATOM 756 OD2 ASP A 49 -2.392 11.021 -5.230 1.00 0.00 O ATOM 0 H ASP A 49 -4.091 8.920 -6.618 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.160 9.432 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.967 8.641 -5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.576 9.047 -6.715 1.00 0.00 H new ATOM 761 N GLY A 50 -2.370 6.380 -7.488 1.00 0.00 N ATOM 762 CA GLY A 50 -2.002 5.009 -7.782 1.00 0.00 C ATOM 763 C GLY A 50 -0.606 4.668 -7.309 1.00 0.00 C ATOM 764 O GLY A 50 -0.027 3.671 -7.743 1.00 0.00 O ATOM 0 H GLY A 50 -2.975 6.495 -6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.717 4.335 -7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.069 4.841 -8.857 1.00 0.00 H new ATOM 768 N LYS A 51 -0.062 5.479 -6.405 1.00 0.00 N ATOM 769 CA LYS A 51 1.268 5.223 -5.874 1.00 0.00 C ATOM 770 C LYS A 51 1.169 4.197 -4.764 1.00 0.00 C ATOM 771 O LYS A 51 0.360 4.341 -3.848 1.00 0.00 O ATOM 772 CB LYS A 51 1.913 6.499 -5.360 1.00 0.00 C ATOM 773 CG LYS A 51 1.903 7.613 -6.389 1.00 0.00 C ATOM 774 CD LYS A 51 2.690 7.271 -7.655 1.00 0.00 C ATOM 775 CE LYS A 51 4.168 7.065 -7.362 1.00 0.00 C ATOM 776 NZ LYS A 51 4.805 8.294 -6.811 1.00 0.00 N ATOM 0 H LYS A 51 -0.519 6.310 -6.030 1.00 0.00 H new ATOM 0 HA LYS A 51 1.898 4.839 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.388 6.832 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.942 6.289 -5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.872 7.839 -6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.320 8.515 -5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.279 6.367 -8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.572 8.073 -8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.286 6.246 -6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.681 6.770 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.839 8.181 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.543 9.113 -7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.478 8.447 -5.836 1.00 0.00 H new ATOM 790 N TYR A 52 1.964 3.156 -4.860 1.00 0.00 N ATOM 791 CA TYR A 52 1.923 2.096 -3.871 1.00 0.00 C ATOM 792 C TYR A 52 3.283 1.466 -3.670 1.00 0.00 C ATOM 793 O TYR A 52 4.234 1.719 -4.412 1.00 0.00 O ATOM 794 CB TYR A 52 0.932 1.014 -4.318 1.00 0.00 C ATOM 795 CG TYR A 52 1.391 0.255 -5.549 1.00 0.00 C ATOM 796 CD1 TYR A 52 1.102 0.721 -6.826 1.00 0.00 C ATOM 797 CD2 TYR A 52 2.145 -0.907 -5.431 1.00 0.00 C ATOM 798 CE1 TYR A 52 1.540 0.045 -7.946 1.00 0.00 C ATOM 799 CE2 TYR A 52 2.589 -1.584 -6.546 1.00 0.00 C ATOM 800 CZ TYR A 52 2.285 -1.103 -7.803 1.00 0.00 C ATOM 801 OH TYR A 52 2.724 -1.776 -8.919 1.00 0.00 O ATOM 0 H TYR A 52 2.644 3.018 -5.607 1.00 0.00 H new ATOM 0 HA TYR A 52 1.606 2.536 -2.925 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.780 0.309 -3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.033 1.477 -4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.525 1.627 -6.943 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.387 -1.285 -4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.299 0.415 -8.931 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.172 -2.487 -6.437 1.00 0.00 H new ATOM 0 HH TYR A 52 3.237 -2.565 -8.645 1.00 0.00 H new ATOM 811 N GLY A 53 3.338 0.609 -2.675 1.00 0.00 N ATOM 812 CA GLY A 53 4.535 -0.113 -2.365 1.00 0.00 C ATOM 813 C GLY A 53 4.203 -1.342 -1.570 1.00 0.00 C ATOM 814 O GLY A 53 3.116 -1.438 -0.992 1.00 0.00 O ATOM 0 H GLY A 53 2.550 0.398 -2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.049 -0.393 -3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.217 0.523 -1.800 1.00 0.00 H new ATOM 818 N PHE A 54 5.106 -2.298 -1.550 1.00 0.00 N ATOM 819 CA PHE A 54 4.849 -3.526 -0.831 1.00 0.00 C ATOM 820 C PHE A 54 5.423 -3.481 0.571 1.00 0.00 C ATOM 821 O PHE A 54 6.338 -2.711 0.862 1.00 0.00 O ATOM 822 CB PHE A 54 5.370 -4.736 -1.604 1.00 0.00 C ATOM 823 CG PHE A 54 4.666 -4.930 -2.913 1.00 0.00 C ATOM 824 CD1 PHE A 54 4.967 -4.132 -4.001 1.00 0.00 C ATOM 825 CD2 PHE A 54 3.692 -5.902 -3.051 1.00 0.00 C ATOM 826 CE1 PHE A 54 4.311 -4.295 -5.201 1.00 0.00 C ATOM 827 CE2 PHE A 54 3.030 -6.074 -4.250 1.00 0.00 C ATOM 828 CZ PHE A 54 3.341 -5.270 -5.329 1.00 0.00 C ATOM 0 H PHE A 54 6.012 -2.251 -2.016 1.00 0.00 H new ATOM 0 HA PHE A 54 3.768 -3.630 -0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.438 -4.615 -1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.249 -5.632 -0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.727 -3.370 -3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.446 -6.534 -2.211 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.555 -3.661 -6.041 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.270 -6.836 -4.344 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.827 -5.403 -6.270 1.00 0.00 H new ATOM 838 N CYS A 55 4.856 -4.300 1.435 1.00 0.00 N ATOM 839 CA CYS A 55 5.272 -4.369 2.821 1.00 0.00 C ATOM 840 C CYS A 55 6.073 -5.645 3.064 1.00 0.00 C ATOM 841 O CYS A 55 6.107 -6.522 2.201 1.00 0.00 O ATOM 842 CB CYS A 55 4.026 -4.329 3.701 1.00 0.00 C ATOM 843 SG CYS A 55 2.892 -2.966 3.289 1.00 0.00 S ATOM 0 H CYS A 55 4.095 -4.935 1.196 1.00 0.00 H new ATOM 0 HA CYS A 55 5.914 -3.523 3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.494 -5.275 3.607 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.330 -4.236 4.744 1.00 0.00 H new ATOM 848 N PRO A 56 6.734 -5.775 4.232 1.00 0.00 N ATOM 849 CA PRO A 56 7.530 -6.967 4.550 1.00 0.00 C ATOM 850 C PRO A 56 6.688 -8.239 4.570 1.00 0.00 C ATOM 851 O PRO A 56 5.704 -8.336 5.305 1.00 0.00 O ATOM 852 CB PRO A 56 8.096 -6.670 5.940 1.00 0.00 C ATOM 853 CG PRO A 56 7.230 -5.592 6.501 1.00 0.00 C ATOM 854 CD PRO A 56 6.764 -4.783 5.324 1.00 0.00 C ATOM 0 HA PRO A 56 8.300 -7.150 3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.074 -7.559 6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.135 -6.347 5.880 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.384 -6.014 7.044 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.785 -4.972 7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.781 -4.345 5.499 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.445 -3.961 5.104 1.00 0.00 H new ATOM 862 N HIS A 57 7.072 -9.208 3.750 1.00 0.00 N ATOM 863 CA HIS A 57 6.348 -10.471 3.665 1.00 0.00 C ATOM 864 C HIS A 57 6.859 -11.457 4.713 1.00 0.00 C ATOM 865 O HIS A 57 6.207 -12.457 5.017 1.00 0.00 O ATOM 866 CB HIS A 57 6.504 -11.068 2.262 1.00 0.00 C ATOM 867 CG HIS A 57 5.549 -12.181 1.952 1.00 0.00 C ATOM 868 ND1 HIS A 57 4.184 -12.004 1.865 1.00 0.00 N ATOM 869 CD2 HIS A 57 5.772 -13.493 1.706 1.00 0.00 C ATOM 870 CE1 HIS A 57 3.611 -13.158 1.583 1.00 0.00 C ATOM 871 NE2 HIS A 57 4.552 -14.077 1.479 1.00 0.00 N ATOM 0 H HIS A 57 7.882 -9.144 3.133 1.00 0.00 H new ATOM 0 HA HIS A 57 5.292 -10.280 3.858 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.370 -10.275 1.526 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.523 -11.438 2.149 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.732 -13.988 1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.551 -13.323 1.458 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.397 -15.062 1.265 1.00 0.00 H new ATOM 879 N GLU A 58 8.041 -11.166 5.248 1.00 0.00 N ATOM 880 CA GLU A 58 8.675 -12.007 6.250 1.00 0.00 C ATOM 881 C GLU A 58 7.831 -12.073 7.519 1.00 0.00 C ATOM 882 O GLU A 58 7.231 -13.106 7.828 1.00 0.00 O ATOM 883 CB GLU A 58 10.073 -11.460 6.588 1.00 0.00 C ATOM 884 CG GLU A 58 11.155 -11.584 5.501 1.00 0.00 C ATOM 885 CD GLU A 58 10.879 -10.774 4.250 1.00 0.00 C ATOM 886 OE1 GLU A 58 10.017 -11.174 3.448 1.00 0.00 O ATOM 887 OE2 GLU A 58 11.532 -9.730 4.068 1.00 0.00 O ATOM 0 H GLU A 58 8.584 -10.340 4.997 1.00 0.00 H new ATOM 0 HA GLU A 58 8.766 -13.013 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.971 -10.406 6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.430 -11.973 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.111 -11.270 5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.257 -12.633 5.225 1.00 0.00 H new ATOM 894 N ALA A 59 7.796 -10.965 8.250 1.00 0.00 N ATOM 895 CA ALA A 59 7.034 -10.885 9.488 1.00 0.00 C ATOM 896 C ALA A 59 6.506 -9.474 9.723 1.00 0.00 C ATOM 897 O ALA A 59 6.716 -8.604 8.857 1.00 0.00 O ATOM 898 CB ALA A 59 7.888 -11.325 10.668 1.00 0.00 C ATOM 0 H ALA A 59 8.289 -10.107 8.004 1.00 0.00 H new ATOM 0 HA ALA A 59 6.181 -11.557 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.303 -11.259 11.585 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.213 -12.355 10.518 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.761 -10.677 10.747 1.00 0.00 H new TER 904 ALA A 59