USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=12 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 Set 1.1: A 19 SER OG : rot -54:sc= 0.839! USER MOD Set 1.2: A 51 THR OG1 : rot -91:sc= -0.759! USER MOD Set 2.1: A 6 GLN : amide:sc= 0.137 K(o=1.1,f=0.46) USER MOD Set 2.2: A 34 TYR OH : rot 26:sc= 0.989 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 10 SER OG : rot 28:sc= 0.121 USER MOD Single : A 14 ASN : amide:sc= 0.2 X(o=0.2,f=-0.13) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 1.11 K(o=1.1,f=-0.15) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 0.153! (180deg=-1.08!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= 1.15 (180deg=0.392!) USER MOD Single : A 41 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.45) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 1.13 (180deg=-0.122) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= 2.08 (180deg=0.95) USER MOD Single : A 57 MET CE :methyl 166:sc= -0.0532 (180deg=-0.329) USER MOD Single : A 58 ASN : amide:sc= -0.0302 K(o=-0.03,f=-2.1!) USER MOD Single : A 60 LYS NZ :NH3+ 157:sc= -0.176 (180deg=-0.784!) USER MOD ----------------------------------------------------------------- ATOM 21 N CYS A 2 3.065 5.525 4.224 1.00 0.00 N ATOM 22 CA CYS A 2 2.197 6.714 4.298 1.00 0.00 C ATOM 23 C CYS A 2 2.450 7.629 5.549 1.00 0.00 C ATOM 24 O CYS A 2 2.367 8.845 5.449 1.00 0.00 O ATOM 25 CB CYS A 2 0.757 6.274 4.208 1.00 0.00 C ATOM 26 SG CYS A 2 0.460 5.114 2.833 1.00 0.00 S ATOM 0 HA CYS A 2 2.450 7.351 3.450 1.00 0.00 H new ATOM 0 HB2 CYS A 2 0.467 5.801 5.146 1.00 0.00 H new ATOM 0 HB3 CYS A 2 0.121 7.150 4.083 1.00 0.00 H new ATOM 31 N GLU A 3 2.841 7.013 6.637 1.00 0.00 N ATOM 32 CA GLU A 3 2.988 7.593 8.005 1.00 0.00 C ATOM 33 C GLU A 3 3.825 8.881 8.094 1.00 0.00 C ATOM 34 O GLU A 3 3.343 9.909 8.497 1.00 0.00 O ATOM 35 CB GLU A 3 3.643 6.552 8.911 1.00 0.00 C ATOM 36 CG GLU A 3 2.967 5.191 8.961 1.00 0.00 C ATOM 37 CD GLU A 3 3.985 4.108 9.236 1.00 0.00 C ATOM 38 OE1 GLU A 3 4.724 3.723 8.276 1.00 0.00 O ATOM 39 OE2 GLU A 3 4.167 3.711 10.393 1.00 0.00 O ATOM 0 H GLU A 3 3.089 6.024 6.619 1.00 0.00 H new ATOM 0 HA GLU A 3 1.977 7.862 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.673 6.412 8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.682 6.954 9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.202 5.186 9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.462 4.993 8.015 1.00 0.00 H new ATOM 46 N ARG A 4 5.071 8.790 7.750 1.00 0.00 N ATOM 47 CA ARG A 4 6.004 9.859 7.935 1.00 0.00 C ATOM 48 C ARG A 4 6.205 10.564 6.630 1.00 0.00 C ATOM 49 O ARG A 4 6.377 11.776 6.574 1.00 0.00 O ATOM 50 CB ARG A 4 7.321 9.279 8.448 1.00 0.00 C ATOM 51 CG ARG A 4 7.117 8.456 9.698 1.00 0.00 C ATOM 52 CD ARG A 4 8.264 7.503 9.981 1.00 0.00 C ATOM 53 NE ARG A 4 7.813 6.473 10.928 1.00 0.00 N ATOM 54 CZ ARG A 4 6.978 5.470 10.569 1.00 0.00 C ATOM 55 NH1 ARG A 4 6.798 5.185 9.275 1.00 0.00 N ATOM 56 NH2 ARG A 4 6.373 4.723 11.486 1.00 0.00 N ATOM 0 H ARG A 4 5.477 7.956 7.325 1.00 0.00 H new ATOM 0 HA ARG A 4 5.627 10.577 8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 4 7.772 8.659 7.673 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.020 10.089 8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.991 9.125 10.549 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.194 7.885 9.602 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.604 7.039 9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.112 8.048 10.395 1.00 0.00 H new ATOM 0 HE ARG A 4 8.142 6.516 11.893 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.289 5.723 8.561 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.169 4.430 9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.535 4.902 12.477 1.00 0.00 H new ATOM 0 HH22 ARG A 4 5.747 3.971 11.199 1.00 0.00 H new ATOM 70 N GLU A 5 6.180 9.770 5.596 1.00 0.00 N ATOM 71 CA GLU A 5 6.316 10.181 4.258 1.00 0.00 C ATOM 72 C GLU A 5 5.234 11.171 3.802 1.00 0.00 C ATOM 73 O GLU A 5 5.540 12.185 3.193 1.00 0.00 O ATOM 74 CB GLU A 5 6.365 8.953 3.341 1.00 0.00 C ATOM 75 CG GLU A 5 5.432 7.766 3.678 1.00 0.00 C ATOM 76 CD GLU A 5 5.960 6.790 4.752 1.00 0.00 C ATOM 77 OE1 GLU A 5 5.985 7.137 5.935 1.00 0.00 O ATOM 78 OE2 GLU A 5 6.277 5.640 4.418 1.00 0.00 O ATOM 0 H GLU A 5 6.056 8.762 5.688 1.00 0.00 H new ATOM 0 HA GLU A 5 7.256 10.729 4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.136 9.282 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.390 8.582 3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.474 8.163 4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.242 7.204 2.763 1.00 0.00 H new ATOM 85 N GLN A 6 3.990 10.880 4.106 1.00 0.00 N ATOM 86 CA GLN A 6 2.883 11.735 3.654 1.00 0.00 C ATOM 87 C GLN A 6 2.093 12.233 4.825 1.00 0.00 C ATOM 88 O GLN A 6 1.272 13.129 4.690 1.00 0.00 O ATOM 89 CB GLN A 6 1.929 10.948 2.775 1.00 0.00 C ATOM 90 CG GLN A 6 2.551 10.315 1.570 1.00 0.00 C ATOM 91 CD GLN A 6 3.121 11.330 0.582 1.00 0.00 C ATOM 92 OE1 GLN A 6 2.617 12.433 0.456 1.00 0.00 O ATOM 93 NE2 GLN A 6 4.179 10.964 -0.112 1.00 0.00 N ATOM 0 H GLN A 6 3.707 10.070 4.658 1.00 0.00 H new ATOM 0 HA GLN A 6 3.320 12.567 3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.465 10.167 3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.131 11.613 2.445 1.00 0.00 H new ATOM 0 HG2 GLN A 6 3.348 9.644 1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.804 9.704 1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.577 10.034 0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.601 11.611 -0.778 1.00 0.00 H new ATOM 102 N GLN A 7 2.323 11.599 5.965 1.00 0.00 N ATOM 103 CA GLN A 7 1.626 11.851 7.198 1.00 0.00 C ATOM 104 C GLN A 7 0.182 11.338 7.134 1.00 0.00 C ATOM 105 O GLN A 7 -0.691 11.721 7.906 1.00 0.00 O ATOM 106 CB GLN A 7 1.789 13.288 7.672 1.00 0.00 C ATOM 107 CG GLN A 7 3.253 13.615 7.888 1.00 0.00 C ATOM 108 CD GLN A 7 3.529 15.071 8.194 1.00 0.00 C ATOM 109 OE1 GLN A 7 2.718 15.774 8.782 1.00 0.00 O ATOM 110 NE2 GLN A 7 4.687 15.535 7.792 1.00 0.00 N ATOM 0 H GLN A 7 3.029 10.868 6.050 1.00 0.00 H new ATOM 0 HA GLN A 7 2.097 11.266 7.988 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.363 13.970 6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.237 13.435 8.600 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.632 13.006 8.709 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.812 13.331 6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.341 14.922 7.304 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.935 16.509 7.967 1.00 0.00 H new ATOM 119 N LEU A 8 0.000 10.404 6.232 1.00 0.00 N ATOM 120 CA LEU A 8 -1.228 9.699 6.023 1.00 0.00 C ATOM 121 C LEU A 8 -1.132 8.410 6.728 1.00 0.00 C ATOM 122 O LEU A 8 -0.087 8.034 7.239 1.00 0.00 O ATOM 123 CB LEU A 8 -1.412 9.411 4.533 1.00 0.00 C ATOM 124 CG LEU A 8 -1.566 10.612 3.657 1.00 0.00 C ATOM 125 CD1 LEU A 8 -1.429 10.233 2.182 1.00 0.00 C ATOM 126 CD2 LEU A 8 -2.884 11.326 3.917 1.00 0.00 C ATOM 0 H LEU A 8 0.742 10.106 5.598 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.065 10.295 6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.554 8.836 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.291 8.778 4.409 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.763 11.306 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.545 11.124 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.445 9.797 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.199 9.507 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.963 12.194 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.712 10.646 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.923 11.650 4.957 1.00 0.00 H new ATOM 138 N GLU A 9 -2.173 7.732 6.719 1.00 0.00 N ATOM 139 CA GLU A 9 -2.201 6.411 7.278 1.00 0.00 C ATOM 140 C GLU A 9 -2.047 5.512 6.118 1.00 0.00 C ATOM 141 O GLU A 9 -2.554 5.824 5.033 1.00 0.00 O ATOM 142 CB GLU A 9 -3.536 6.094 7.864 1.00 0.00 C ATOM 143 CG GLU A 9 -3.615 4.824 8.713 1.00 0.00 C ATOM 144 CD GLU A 9 -5.053 4.384 8.888 1.00 0.00 C ATOM 145 OE1 GLU A 9 -5.882 5.212 9.263 1.00 0.00 O ATOM 146 OE2 GLU A 9 -5.398 3.227 8.564 1.00 0.00 O ATOM 0 H GLU A 9 -3.060 8.048 6.328 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.439 6.313 8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.850 6.938 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.256 6.008 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.041 4.028 8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.164 5.004 9.689 1.00 0.00 H new ATOM 153 N SER A 10 -1.339 4.482 6.280 1.00 0.00 N ATOM 154 CA SER A 10 -1.260 3.513 5.310 1.00 0.00 C ATOM 155 C SER A 10 -2.484 2.673 5.427 1.00 0.00 C ATOM 156 O SER A 10 -2.931 2.388 6.531 1.00 0.00 O ATOM 157 CB SER A 10 -0.063 2.716 5.573 1.00 0.00 C ATOM 158 OG SER A 10 -0.119 2.105 6.856 1.00 0.00 O ATOM 0 H SER A 10 -0.787 4.292 7.116 1.00 0.00 H new ATOM 0 HA SER A 10 -1.197 3.933 4.306 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.040 1.948 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.820 3.351 5.509 1.00 0.00 H new ATOM 0 HG SER A 10 -1.055 1.958 7.108 1.00 0.00 H new ATOM 164 N CYS A 11 -3.000 2.260 4.369 1.00 0.00 N ATOM 165 CA CYS A 11 -4.221 1.546 4.430 1.00 0.00 C ATOM 166 C CYS A 11 -4.148 0.440 3.400 1.00 0.00 C ATOM 167 O CYS A 11 -3.244 0.439 2.566 1.00 0.00 O ATOM 168 CB CYS A 11 -5.421 2.504 4.183 1.00 0.00 C ATOM 169 SG CYS A 11 -5.783 2.809 2.443 1.00 0.00 S ATOM 0 H CYS A 11 -2.613 2.392 3.435 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.377 1.111 5.417 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.308 2.086 4.658 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.217 3.457 4.672 1.00 0.00 H new ATOM 174 N ALA A 12 -5.039 -0.500 3.455 1.00 0.00 N ATOM 175 CA ALA A 12 -5.012 -1.574 2.506 1.00 0.00 C ATOM 176 C ALA A 12 -6.240 -1.518 1.647 1.00 0.00 C ATOM 177 O ALA A 12 -7.361 -1.430 2.164 1.00 0.00 O ATOM 178 CB ALA A 12 -4.903 -2.920 3.210 1.00 0.00 C ATOM 0 H ALA A 12 -5.791 -0.548 4.142 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.132 -1.462 1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.884 -3.718 2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.986 -2.950 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.761 -3.057 3.869 1.00 0.00 H new ATOM 184 N CYS A 13 -6.040 -1.510 0.357 1.00 0.00 N ATOM 185 CA CYS A 13 -7.124 -1.518 -0.571 1.00 0.00 C ATOM 186 C CYS A 13 -7.883 -2.841 -0.496 1.00 0.00 C ATOM 187 O CYS A 13 -7.287 -3.905 -0.424 1.00 0.00 O ATOM 188 CB CYS A 13 -6.615 -1.178 -1.978 1.00 0.00 C ATOM 189 SG CYS A 13 -5.992 0.562 -2.117 1.00 0.00 S ATOM 0 H CYS A 13 -5.116 -1.498 -0.075 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.844 -0.743 -0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.815 -1.868 -2.246 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.420 -1.329 -2.697 1.00 0.00 H new ATOM 194 N ASN A 14 -9.215 -2.732 -0.448 1.00 0.00 N ATOM 195 CA ASN A 14 -10.147 -3.879 -0.303 1.00 0.00 C ATOM 196 C ASN A 14 -9.999 -4.842 -1.486 1.00 0.00 C ATOM 197 O ASN A 14 -10.313 -6.025 -1.388 1.00 0.00 O ATOM 198 CB ASN A 14 -11.597 -3.327 -0.242 1.00 0.00 C ATOM 199 CG ASN A 14 -12.702 -4.308 0.245 1.00 0.00 C ATOM 200 OD1 ASN A 14 -13.678 -3.876 0.834 1.00 0.00 O ATOM 201 ND2 ASN A 14 -12.578 -5.590 0.002 1.00 0.00 N ATOM 0 H ASN A 14 -9.694 -1.833 -0.509 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.916 -4.428 0.610 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.602 -2.457 0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.869 -2.976 -1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.303 -6.239 0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -11.756 -5.938 -0.492 1.00 0.00 H new ATOM 208 N GLU A 15 -9.530 -4.319 -2.584 1.00 0.00 N ATOM 209 CA GLU A 15 -9.331 -5.066 -3.765 1.00 0.00 C ATOM 210 C GLU A 15 -8.095 -5.986 -3.549 1.00 0.00 C ATOM 211 O GLU A 15 -7.138 -5.577 -2.895 1.00 0.00 O ATOM 212 CB GLU A 15 -9.184 -4.067 -4.937 1.00 0.00 C ATOM 213 CG GLU A 15 -9.228 -4.648 -6.345 1.00 0.00 C ATOM 214 CD GLU A 15 -7.998 -5.410 -6.664 1.00 0.00 C ATOM 215 OE1 GLU A 15 -6.940 -4.787 -6.695 1.00 0.00 O ATOM 216 OE2 GLU A 15 -8.065 -6.637 -6.806 1.00 0.00 O ATOM 0 H GLU A 15 -9.273 -3.336 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.169 -5.719 -4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.977 -3.324 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.238 -3.539 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.095 -5.301 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.354 -3.841 -7.067 1.00 0.00 H new ATOM 223 N THR A 16 -8.139 -7.202 -4.086 1.00 0.00 N ATOM 224 CA THR A 16 -7.100 -8.200 -3.880 1.00 0.00 C ATOM 225 C THR A 16 -5.731 -7.732 -4.325 1.00 0.00 C ATOM 226 O THR A 16 -4.778 -7.745 -3.540 1.00 0.00 O ATOM 227 CB THR A 16 -7.432 -9.520 -4.602 1.00 0.00 C ATOM 228 OG1 THR A 16 -8.657 -10.051 -4.068 1.00 0.00 O ATOM 229 CG2 THR A 16 -6.287 -10.545 -4.435 1.00 0.00 C ATOM 0 H THR A 16 -8.903 -7.523 -4.680 1.00 0.00 H new ATOM 0 HA THR A 16 -7.070 -8.365 -2.803 1.00 0.00 H new ATOM 0 HB THR A 16 -7.549 -9.323 -5.668 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.876 -10.890 -4.524 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.546 -11.468 -4.954 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.369 -10.137 -4.857 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.137 -10.754 -3.376 1.00 0.00 H new ATOM 237 N ASP A 17 -5.635 -7.290 -5.530 1.00 0.00 N ATOM 238 CA ASP A 17 -4.354 -6.944 -6.073 1.00 0.00 C ATOM 239 C ASP A 17 -3.803 -5.710 -5.383 1.00 0.00 C ATOM 240 O ASP A 17 -2.625 -5.661 -4.977 1.00 0.00 O ATOM 241 CB ASP A 17 -4.454 -6.690 -7.554 1.00 0.00 C ATOM 242 CG ASP A 17 -3.134 -6.276 -8.152 1.00 0.00 C ATOM 243 OD1 ASP A 17 -2.256 -7.133 -8.347 1.00 0.00 O ATOM 244 OD2 ASP A 17 -2.912 -5.062 -8.371 1.00 0.00 O ATOM 0 H ASP A 17 -6.423 -7.157 -6.164 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.678 -7.782 -5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.809 -7.592 -8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.194 -5.911 -7.738 1.00 0.00 H new ATOM 249 N ASN A 18 -4.677 -4.746 -5.164 1.00 0.00 N ATOM 250 CA ASN A 18 -4.297 -3.499 -4.579 1.00 0.00 C ATOM 251 C ASN A 18 -4.098 -3.588 -3.097 1.00 0.00 C ATOM 252 O ASN A 18 -3.715 -2.620 -2.468 1.00 0.00 O ATOM 253 CB ASN A 18 -5.237 -2.364 -4.976 1.00 0.00 C ATOM 254 CG ASN A 18 -5.005 -1.891 -6.405 1.00 0.00 C ATOM 255 OD1 ASN A 18 -4.258 -0.941 -6.643 1.00 0.00 O ATOM 256 ND2 ASN A 18 -5.591 -2.566 -7.360 1.00 0.00 N ATOM 0 H ASN A 18 -5.669 -4.817 -5.391 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.320 -3.253 -4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.269 -2.697 -4.869 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.100 -1.526 -4.292 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.435 -2.310 -8.335 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.204 -3.348 -7.130 1.00 0.00 H new ATOM 263 N SER A 19 -4.320 -4.751 -2.525 1.00 0.00 N ATOM 264 CA SER A 19 -3.985 -4.914 -1.123 1.00 0.00 C ATOM 265 C SER A 19 -2.480 -5.126 -0.972 1.00 0.00 C ATOM 266 O SER A 19 -1.932 -5.054 0.116 1.00 0.00 O ATOM 267 CB SER A 19 -4.832 -5.990 -0.390 1.00 0.00 C ATOM 268 OG SER A 19 -4.776 -7.286 -0.989 1.00 0.00 O ATOM 0 H SER A 19 -4.716 -5.571 -2.985 1.00 0.00 H new ATOM 0 HA SER A 19 -4.254 -3.989 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.491 -6.064 0.643 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.871 -5.660 -0.360 1.00 0.00 H new ATOM 0 HG SER A 19 -5.013 -7.218 -1.938 1.00 0.00 H new ATOM 274 N CYS A 20 -1.821 -5.354 -2.104 1.00 0.00 N ATOM 275 CA CYS A 20 -0.387 -5.491 -2.140 1.00 0.00 C ATOM 276 C CYS A 20 0.260 -4.257 -2.699 1.00 0.00 C ATOM 277 O CYS A 20 1.449 -4.244 -3.013 1.00 0.00 O ATOM 278 CB CYS A 20 0.018 -6.707 -2.919 1.00 0.00 C ATOM 279 SG CYS A 20 -0.472 -8.227 -2.109 1.00 0.00 S ATOM 0 H CYS A 20 -2.273 -5.447 -3.014 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.039 -5.617 -1.115 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.430 -6.666 -3.912 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.099 -6.704 -3.057 1.00 0.00 H new ATOM 284 N LYS A 21 -0.519 -3.238 -2.856 1.00 0.00 N ATOM 285 CA LYS A 21 -0.037 -1.968 -3.195 1.00 0.00 C ATOM 286 C LYS A 21 -0.198 -1.101 -2.049 1.00 0.00 C ATOM 287 O LYS A 21 -1.048 -1.317 -1.184 1.00 0.00 O ATOM 288 CB LYS A 21 -0.666 -1.390 -4.464 1.00 0.00 C ATOM 289 CG LYS A 21 -0.116 -1.955 -5.773 1.00 0.00 C ATOM 290 CD LYS A 21 -0.561 -3.379 -6.087 1.00 0.00 C ATOM 291 CE LYS A 21 0.091 -3.870 -7.380 1.00 0.00 C ATOM 292 NZ LYS A 21 -0.372 -5.213 -7.777 1.00 0.00 N ATOM 0 H LYS A 21 -1.532 -3.282 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 21 1.020 -2.054 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.741 -1.568 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.522 -0.310 -4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.423 -1.304 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.973 -1.929 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.292 -4.040 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.646 -3.414 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.125 -3.164 -8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.173 -3.886 -7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.323 -5.644 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.476 -5.808 -6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.289 -5.135 -8.261 1.00 0.00 H new ATOM 306 N VAL A 22 0.667 -0.187 -1.993 1.00 0.00 N ATOM 307 CA VAL A 22 0.706 0.714 -0.944 1.00 0.00 C ATOM 308 C VAL A 22 -0.387 1.696 -1.093 1.00 0.00 C ATOM 309 O VAL A 22 -0.377 2.524 -1.975 1.00 0.00 O ATOM 310 CB VAL A 22 2.039 1.418 -0.880 1.00 0.00 C ATOM 311 CG1 VAL A 22 2.059 2.378 0.293 1.00 0.00 C ATOM 312 CG2 VAL A 22 3.154 0.395 -0.805 1.00 0.00 C ATOM 0 H VAL A 22 1.389 -0.043 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 22 0.574 0.166 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 22 2.195 2.007 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.024 2.883 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.267 3.117 0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.900 1.825 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.115 0.907 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.026 -0.218 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.124 -0.241 -1.689 1.00 0.00 H new ATOM 322 N CYS A 23 -1.342 1.526 -0.314 1.00 0.00 N ATOM 323 CA CYS A 23 -2.422 2.452 -0.251 1.00 0.00 C ATOM 324 C CYS A 23 -2.276 3.294 1.015 1.00 0.00 C ATOM 325 O CYS A 23 -1.649 2.869 1.998 1.00 0.00 O ATOM 326 CB CYS A 23 -3.781 1.735 -0.277 1.00 0.00 C ATOM 327 SG CYS A 23 -4.001 0.498 -1.633 1.00 0.00 S ATOM 0 H CYS A 23 -1.426 0.734 0.323 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.387 3.098 -1.128 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.924 1.230 0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.567 2.486 -0.362 1.00 0.00 H new ATOM 332 N CYS A 24 -2.829 4.457 0.986 1.00 0.00 N ATOM 333 CA CYS A 24 -2.813 5.383 2.059 1.00 0.00 C ATOM 334 C CYS A 24 -4.219 5.818 2.166 1.00 0.00 C ATOM 335 O CYS A 24 -4.998 5.539 1.254 1.00 0.00 O ATOM 336 CB CYS A 24 -1.950 6.608 1.720 1.00 0.00 C ATOM 337 SG CYS A 24 -0.207 6.268 1.316 1.00 0.00 S ATOM 0 H CYS A 24 -3.331 4.804 0.168 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.408 4.941 2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.404 7.125 0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.979 7.294 2.567 1.00 0.00 H new ATOM 342 N ARG A 25 -4.599 6.472 3.196 1.00 0.00 N ATOM 343 CA ARG A 25 -5.933 6.899 3.217 1.00 0.00 C ATOM 344 C ARG A 25 -5.966 8.357 3.339 1.00 0.00 C ATOM 345 O ARG A 25 -5.003 8.975 3.798 1.00 0.00 O ATOM 346 CB ARG A 25 -6.804 6.215 4.238 1.00 0.00 C ATOM 347 CG ARG A 25 -6.479 6.565 5.624 1.00 0.00 C ATOM 348 CD ARG A 25 -7.638 6.242 6.524 1.00 0.00 C ATOM 349 NE ARG A 25 -7.496 4.924 7.113 1.00 0.00 N ATOM 350 CZ ARG A 25 -8.121 3.809 6.782 1.00 0.00 C ATOM 351 NH1 ARG A 25 -9.133 3.811 5.891 1.00 0.00 N ATOM 352 NH2 ARG A 25 -7.729 2.674 7.355 1.00 0.00 N ATOM 0 H ARG A 25 -4.027 6.714 4.005 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.379 6.598 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.845 6.471 4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.713 5.136 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.594 6.017 5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.240 7.626 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.708 6.990 7.314 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.567 6.291 5.956 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.828 4.849 7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.430 4.686 5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.602 2.938 5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.964 2.681 8.030 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.193 1.797 7.119 1.00 0.00 H new ATOM 366 N ASP A 26 -7.035 8.886 2.947 1.00 0.00 N ATOM 367 CA ASP A 26 -7.199 10.271 2.802 1.00 0.00 C ATOM 368 C ASP A 26 -8.029 10.797 3.954 1.00 0.00 C ATOM 369 O ASP A 26 -8.247 10.108 4.952 1.00 0.00 O ATOM 370 CB ASP A 26 -7.854 10.542 1.419 1.00 0.00 C ATOM 371 CG ASP A 26 -9.368 10.484 1.439 1.00 0.00 C ATOM 372 OD1 ASP A 26 -9.929 9.409 1.608 1.00 0.00 O ATOM 373 OD2 ASP A 26 -9.991 11.558 1.396 1.00 0.00 O ATOM 0 H ASP A 26 -7.867 8.348 2.704 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.243 10.794 2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.542 11.525 1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.481 9.812 0.701 1.00 0.00 H new ATOM 378 N LEU A 27 -8.471 11.980 3.791 1.00 0.00 N ATOM 379 CA LEU A 27 -9.218 12.741 4.733 1.00 0.00 C ATOM 380 C LEU A 27 -10.599 12.141 4.927 1.00 0.00 C ATOM 381 O LEU A 27 -11.164 12.173 6.012 1.00 0.00 O ATOM 382 CB LEU A 27 -9.368 14.174 4.225 1.00 0.00 C ATOM 383 CG LEU A 27 -8.098 15.011 3.978 1.00 0.00 C ATOM 384 CD1 LEU A 27 -7.144 14.954 5.160 1.00 0.00 C ATOM 385 CD2 LEU A 27 -7.417 14.609 2.674 1.00 0.00 C ATOM 0 H LEU A 27 -8.311 12.493 2.924 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.688 12.732 5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.925 14.136 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.986 14.715 4.942 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.406 16.052 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.262 15.557 4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.642 15.343 6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.843 13.921 5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.524 15.217 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.136 13.557 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.103 14.766 1.842 1.00 0.00 H new ATOM 397 N SER A 28 -11.117 11.595 3.859 1.00 0.00 N ATOM 398 CA SER A 28 -12.399 10.964 3.849 1.00 0.00 C ATOM 399 C SER A 28 -12.222 9.507 4.314 1.00 0.00 C ATOM 400 O SER A 28 -13.184 8.734 4.472 1.00 0.00 O ATOM 401 CB SER A 28 -13.010 11.048 2.431 1.00 0.00 C ATOM 402 OG SER A 28 -14.392 10.681 2.409 1.00 0.00 O ATOM 0 H SER A 28 -10.645 11.579 2.955 1.00 0.00 H new ATOM 0 HA SER A 28 -13.088 11.467 4.528 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.901 12.064 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.453 10.395 1.759 1.00 0.00 H new ATOM 0 HG SER A 28 -14.734 10.751 1.493 1.00 0.00 H new ATOM 408 N GLY A 29 -10.979 9.154 4.528 1.00 0.00 N ATOM 409 CA GLY A 29 -10.611 7.889 5.011 1.00 0.00 C ATOM 410 C GLY A 29 -10.703 6.792 3.978 1.00 0.00 C ATOM 411 O GLY A 29 -10.727 5.599 4.329 1.00 0.00 O ATOM 0 H GLY A 29 -10.187 9.774 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.589 7.937 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.249 7.633 5.857 1.00 0.00 H new ATOM 415 N ARG A 30 -10.711 7.166 2.723 1.00 0.00 N ATOM 416 CA ARG A 30 -10.816 6.222 1.647 1.00 0.00 C ATOM 417 C ARG A 30 -9.425 5.748 1.298 1.00 0.00 C ATOM 418 O ARG A 30 -8.448 6.436 1.574 1.00 0.00 O ATOM 419 CB ARG A 30 -11.451 6.859 0.395 1.00 0.00 C ATOM 420 CG ARG A 30 -12.805 7.544 0.598 1.00 0.00 C ATOM 421 CD ARG A 30 -13.814 6.639 1.282 1.00 0.00 C ATOM 422 NE ARG A 30 -15.199 7.146 1.161 1.00 0.00 N ATOM 423 CZ ARG A 30 -15.991 7.535 2.181 1.00 0.00 C ATOM 424 NH1 ARG A 30 -15.473 7.810 3.374 1.00 0.00 N ATOM 425 NH2 ARG A 30 -17.299 7.743 1.965 1.00 0.00 N ATOM 0 H ARG A 30 -10.644 8.138 2.421 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.451 5.396 1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.753 7.593 -0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.570 6.083 -0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.667 8.446 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.199 7.858 -0.369 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.756 5.641 0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.556 6.543 2.337 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.590 7.207 0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.468 7.728 3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.081 8.103 4.139 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.690 7.607 1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.902 8.037 2.733 1.00 0.00 H new ATOM 439 N CYS A 31 -9.328 4.590 0.720 1.00 0.00 N ATOM 440 CA CYS A 31 -8.049 4.072 0.334 1.00 0.00 C ATOM 441 C CYS A 31 -7.622 4.551 -1.015 1.00 0.00 C ATOM 442 O CYS A 31 -8.279 4.299 -2.028 1.00 0.00 O ATOM 443 CB CYS A 31 -7.973 2.560 0.458 1.00 0.00 C ATOM 444 SG CYS A 31 -7.638 2.028 2.155 1.00 0.00 S ATOM 0 H CYS A 31 -10.120 3.984 0.504 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.330 4.476 1.047 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.912 2.122 0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.191 2.182 -0.200 1.00 0.00 H new ATOM 449 N VAL A 32 -6.536 5.257 -1.008 1.00 0.00 N ATOM 450 CA VAL A 32 -5.940 5.790 -2.150 1.00 0.00 C ATOM 451 C VAL A 32 -4.563 5.220 -2.342 1.00 0.00 C ATOM 452 O VAL A 32 -3.790 5.141 -1.403 1.00 0.00 O ATOM 453 CB VAL A 32 -5.901 7.342 -2.189 1.00 0.00 C ATOM 454 CG1 VAL A 32 -7.218 7.860 -2.712 1.00 0.00 C ATOM 455 CG2 VAL A 32 -5.608 7.934 -0.794 1.00 0.00 C ATOM 0 H VAL A 32 -6.029 5.478 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.581 5.494 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.094 7.653 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.195 8.949 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.388 7.474 -3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.024 7.532 -2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.588 9.022 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.387 7.626 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.642 7.573 -0.441 1.00 0.00 H new ATOM 465 N PRO A 33 -4.256 4.782 -3.545 1.00 0.00 N ATOM 466 CA PRO A 33 -2.951 4.204 -3.864 1.00 0.00 C ATOM 467 C PRO A 33 -1.832 5.244 -3.742 1.00 0.00 C ATOM 468 O PRO A 33 -1.928 6.342 -4.310 1.00 0.00 O ATOM 469 CB PRO A 33 -3.107 3.756 -5.328 1.00 0.00 C ATOM 470 CG PRO A 33 -4.234 4.577 -5.867 1.00 0.00 C ATOM 471 CD PRO A 33 -5.158 4.819 -4.710 1.00 0.00 C ATOM 0 HA PRO A 33 -2.678 3.394 -3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.190 3.926 -5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.329 2.691 -5.393 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.869 5.518 -6.279 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.747 4.054 -6.674 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.667 5.779 -4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.931 4.053 -4.645 1.00 0.00 H new ATOM 479 N TYR A 34 -0.807 4.923 -2.971 1.00 0.00 N ATOM 480 CA TYR A 34 0.325 5.782 -2.822 1.00 0.00 C ATOM 481 C TYR A 34 1.090 5.843 -4.098 1.00 0.00 C ATOM 482 O TYR A 34 1.228 4.846 -4.824 1.00 0.00 O ATOM 483 CB TYR A 34 1.249 5.236 -1.745 1.00 0.00 C ATOM 484 CG TYR A 34 2.524 6.026 -1.485 1.00 0.00 C ATOM 485 CD1 TYR A 34 3.678 5.850 -2.256 1.00 0.00 C ATOM 486 CD2 TYR A 34 2.580 6.931 -0.460 1.00 0.00 C ATOM 487 CE1 TYR A 34 4.794 6.533 -2.008 1.00 0.00 C ATOM 488 CE2 TYR A 34 3.729 7.640 -0.207 1.00 0.00 C ATOM 489 CZ TYR A 34 4.839 7.442 -0.980 1.00 0.00 C ATOM 490 OH TYR A 34 5.990 8.157 -0.713 1.00 0.00 O ATOM 0 H TYR A 34 -0.749 4.056 -2.436 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.031 6.775 -2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.688 5.175 -0.812 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.527 4.218 -2.017 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.663 5.143 -3.072 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.709 7.090 0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.669 6.371 -2.619 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.755 8.354 0.603 1.00 0.00 H new ATOM 0 HH TYR A 34 6.524 8.234 -1.531 1.00 0.00 H new ATOM 500 N VAL A 35 1.581 6.988 -4.362 1.00 0.00 N ATOM 501 CA VAL A 35 2.471 7.187 -5.410 1.00 0.00 C ATOM 502 C VAL A 35 3.524 8.001 -4.824 1.00 0.00 C ATOM 503 O VAL A 35 3.250 8.932 -4.056 1.00 0.00 O ATOM 504 CB VAL A 35 1.902 7.952 -6.609 1.00 0.00 C ATOM 505 CG1 VAL A 35 2.516 7.472 -7.891 1.00 0.00 C ATOM 506 CG2 VAL A 35 0.383 7.962 -6.655 1.00 0.00 C ATOM 0 H VAL A 35 1.363 7.833 -3.834 1.00 0.00 H new ATOM 0 HA VAL A 35 2.776 6.218 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 35 2.183 8.997 -6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.096 8.031 -8.727 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.595 7.626 -7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.304 6.411 -8.021 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.049 8.521 -7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.014 6.938 -6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.005 8.434 -5.753 1.00 0.00 H new ATOM 516 N ASP A 36 4.691 7.633 -5.117 1.00 0.00 N ATOM 517 CA ASP A 36 5.812 8.285 -4.647 1.00 0.00 C ATOM 518 C ASP A 36 6.014 9.454 -5.465 1.00 0.00 C ATOM 519 O ASP A 36 5.354 9.633 -6.490 1.00 0.00 O ATOM 520 CB ASP A 36 6.957 7.315 -4.590 1.00 0.00 C ATOM 521 CG ASP A 36 8.052 7.746 -3.649 1.00 0.00 C ATOM 522 OD1 ASP A 36 7.790 8.628 -2.816 1.00 0.00 O ATOM 523 OD2 ASP A 36 9.177 7.212 -3.760 1.00 0.00 O ATOM 0 H ASP A 36 4.896 6.834 -5.717 1.00 0.00 H new ATOM 0 HA ASP A 36 5.706 8.646 -3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.583 6.339 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.373 7.194 -5.590 1.00 0.00 H new ATOM 528 N ALA A 37 6.863 10.227 -5.022 1.00 0.00 N ATOM 529 CA ALA A 37 6.998 11.551 -5.438 1.00 0.00 C ATOM 530 C ALA A 37 7.202 11.764 -6.961 1.00 0.00 C ATOM 531 O ALA A 37 6.731 12.747 -7.526 1.00 0.00 O ATOM 532 CB ALA A 37 8.025 12.187 -4.588 1.00 0.00 C ATOM 0 H ALA A 37 7.540 9.956 -4.309 1.00 0.00 H new ATOM 0 HA ALA A 37 6.040 12.052 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.154 13.226 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.709 12.148 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.970 11.656 -4.701 1.00 0.00 H new ATOM 538 N GLU A 38 7.869 10.832 -7.596 1.00 0.00 N ATOM 539 CA GLU A 38 8.149 10.846 -8.967 1.00 0.00 C ATOM 540 C GLU A 38 7.158 9.966 -9.712 1.00 0.00 C ATOM 541 O GLU A 38 7.420 9.565 -10.845 1.00 0.00 O ATOM 542 CB GLU A 38 9.495 10.243 -9.187 1.00 0.00 C ATOM 543 CG GLU A 38 10.603 10.748 -8.292 1.00 0.00 C ATOM 544 CD GLU A 38 10.801 9.810 -7.138 1.00 0.00 C ATOM 545 OE1 GLU A 38 9.786 9.369 -6.535 1.00 0.00 O ATOM 546 OE2 GLU A 38 11.940 9.429 -6.844 1.00 0.00 O ATOM 0 H GLU A 38 8.241 10.009 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 38 8.096 11.875 -9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.413 9.164 -9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.784 10.418 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.528 10.838 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.358 11.744 -7.923 1.00 0.00 H new ATOM 553 N GLN A 39 6.056 9.630 -9.040 1.00 0.00 N ATOM 554 CA GLN A 39 5.021 8.832 -9.530 1.00 0.00 C ATOM 555 C GLN A 39 5.402 7.355 -9.584 1.00 0.00 C ATOM 556 O GLN A 39 4.971 6.611 -10.463 1.00 0.00 O ATOM 557 CB GLN A 39 4.500 9.404 -10.794 1.00 0.00 C ATOM 558 CG GLN A 39 3.772 10.709 -10.555 1.00 0.00 C ATOM 559 CD GLN A 39 3.272 11.376 -11.819 1.00 0.00 C ATOM 560 OE1 GLN A 39 3.844 11.243 -12.885 1.00 0.00 O ATOM 561 NE2 GLN A 39 2.193 12.107 -11.703 1.00 0.00 N ATOM 0 H GLN A 39 5.888 9.946 -8.085 1.00 0.00 H new ATOM 0 HA GLN A 39 4.186 8.845 -8.829 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.325 9.568 -11.487 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.824 8.691 -11.266 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.925 10.525 -9.894 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.439 11.395 -10.034 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.735 12.200 -10.796 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.810 12.584 -12.519 1.00 0.00 H new ATOM 570 N LYS A 40 6.153 6.911 -8.562 1.00 0.00 N ATOM 571 CA LYS A 40 6.464 5.517 -8.431 1.00 0.00 C ATOM 572 C LYS A 40 5.299 4.849 -7.811 1.00 0.00 C ATOM 573 O LYS A 40 4.644 5.420 -6.940 1.00 0.00 O ATOM 574 CB LYS A 40 7.562 5.247 -7.442 1.00 0.00 C ATOM 575 CG LYS A 40 8.873 5.893 -7.649 1.00 0.00 C ATOM 576 CD LYS A 40 9.883 5.262 -6.669 1.00 0.00 C ATOM 577 CE LYS A 40 11.165 6.067 -6.474 1.00 0.00 C ATOM 578 NZ LYS A 40 10.957 7.250 -5.618 1.00 0.00 N ATOM 0 H LYS A 40 6.543 7.507 -7.832 1.00 0.00 H new ATOM 0 HA LYS A 40 6.740 5.173 -9.428 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.200 5.541 -6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.725 4.170 -7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.206 5.756 -8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.798 6.967 -7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.399 5.134 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.145 4.267 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.928 5.429 -6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.543 6.386 -7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.821 7.829 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.166 7.813 -5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.737 6.943 -4.649 1.00 0.00 H new ATOM 592 N ASN A 41 5.074 3.668 -8.188 1.00 0.00 N ATOM 593 CA ASN A 41 4.090 2.880 -7.544 1.00 0.00 C ATOM 594 C ASN A 41 4.854 1.952 -6.642 1.00 0.00 C ATOM 595 O ASN A 41 6.071 1.798 -6.816 1.00 0.00 O ATOM 596 CB ASN A 41 3.309 2.098 -8.544 1.00 0.00 C ATOM 597 CG ASN A 41 1.988 1.586 -7.988 1.00 0.00 C ATOM 598 OD1 ASN A 41 1.904 0.475 -7.481 1.00 0.00 O ATOM 599 ND2 ASN A 41 0.964 2.408 -8.037 1.00 0.00 N ATOM 0 H ASN A 41 5.561 3.204 -8.955 1.00 0.00 H new ATOM 0 HA ASN A 41 3.378 3.494 -6.993 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.114 2.723 -9.415 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.907 1.253 -8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.065 2.127 -7.645 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.068 3.327 -8.467 1.00 0.00 H new ATOM 606 N LEU A 42 4.198 1.316 -5.741 1.00 0.00 N ATOM 607 CA LEU A 42 4.897 0.539 -4.743 1.00 0.00 C ATOM 608 C LEU A 42 4.168 -0.733 -4.422 1.00 0.00 C ATOM 609 O LEU A 42 2.989 -0.713 -4.028 1.00 0.00 O ATOM 610 CB LEU A 42 5.027 1.295 -3.420 1.00 0.00 C ATOM 611 CG LEU A 42 5.694 2.661 -3.378 1.00 0.00 C ATOM 612 CD1 LEU A 42 5.645 3.165 -1.947 1.00 0.00 C ATOM 613 CD2 LEU A 42 7.141 2.585 -3.847 1.00 0.00 C ATOM 0 H LEU A 42 3.181 1.308 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 42 5.877 0.335 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.021 1.415 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.572 0.649 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 42 5.166 3.340 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.118 4.145 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.607 3.244 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.175 2.468 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.590 3.578 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.698 1.907 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.172 2.216 -4.872 1.00 0.00 H new ATOM 625 N PHE A 43 4.835 -1.830 -4.615 1.00 0.00 N ATOM 626 CA PHE A 43 4.393 -3.057 -4.145 1.00 0.00 C ATOM 627 C PHE A 43 4.723 -3.131 -2.640 1.00 0.00 C ATOM 628 O PHE A 43 5.766 -2.600 -2.194 1.00 0.00 O ATOM 629 CB PHE A 43 5.069 -4.168 -4.952 1.00 0.00 C ATOM 630 CG PHE A 43 6.566 -4.334 -4.745 1.00 0.00 C ATOM 631 CD1 PHE A 43 7.471 -3.516 -5.411 1.00 0.00 C ATOM 632 CD2 PHE A 43 7.060 -5.316 -3.901 1.00 0.00 C ATOM 633 CE1 PHE A 43 8.830 -3.675 -5.234 1.00 0.00 C ATOM 634 CE2 PHE A 43 8.419 -5.475 -3.721 1.00 0.00 C ATOM 635 CZ PHE A 43 9.306 -4.656 -4.386 1.00 0.00 C ATOM 0 H PHE A 43 5.721 -1.871 -5.119 1.00 0.00 H new ATOM 0 HA PHE A 43 3.317 -3.180 -4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.583 -5.113 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.888 -3.981 -6.010 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.106 -2.747 -6.075 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.373 -5.965 -3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.522 -3.032 -5.758 1.00 0.00 H new ATOM 0 HE2 PHE A 43 8.788 -6.243 -3.058 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.369 -4.781 -4.245 1.00 0.00 H new ATOM 645 N LEU A 44 3.828 -3.706 -1.869 1.00 0.00 N ATOM 646 CA LEU A 44 3.962 -3.880 -0.461 1.00 0.00 C ATOM 647 C LEU A 44 5.174 -4.779 -0.136 1.00 0.00 C ATOM 648 O LEU A 44 5.964 -5.152 -0.998 1.00 0.00 O ATOM 649 CB LEU A 44 2.665 -4.494 0.108 1.00 0.00 C ATOM 650 CG LEU A 44 2.382 -4.323 1.615 1.00 0.00 C ATOM 651 CD1 LEU A 44 2.350 -2.851 2.002 1.00 0.00 C ATOM 652 CD2 LEU A 44 1.058 -4.984 1.971 1.00 0.00 C ATOM 0 H LEU A 44 2.951 -4.078 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 44 4.131 -2.908 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.825 -4.067 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.678 -5.562 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 44 3.187 -4.803 2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.149 -2.760 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.313 -2.394 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.565 -2.344 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.864 -4.860 3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.254 -4.520 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.106 -6.047 1.733 1.00 0.00 H new ATOM 664 N ARG A 45 5.347 -5.079 1.090 1.00 0.00 N ATOM 665 CA ARG A 45 6.403 -5.911 1.501 1.00 0.00 C ATOM 666 C ARG A 45 5.970 -7.368 1.432 1.00 0.00 C ATOM 667 O ARG A 45 4.778 -7.660 1.466 1.00 0.00 O ATOM 668 CB ARG A 45 6.825 -5.535 2.880 1.00 0.00 C ATOM 669 CG ARG A 45 7.418 -4.116 3.045 1.00 0.00 C ATOM 670 CD ARG A 45 8.602 -3.808 2.099 1.00 0.00 C ATOM 671 NE ARG A 45 8.183 -3.578 0.693 1.00 0.00 N ATOM 672 CZ ARG A 45 8.930 -3.000 -0.265 1.00 0.00 C ATOM 673 NH1 ARG A 45 10.200 -2.653 -0.016 1.00 0.00 N ATOM 674 NH2 ARG A 45 8.404 -2.770 -1.467 1.00 0.00 N ATOM 0 H ARG A 45 4.750 -4.748 1.848 1.00 0.00 H new ATOM 0 HA ARG A 45 7.256 -5.782 0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.962 -5.626 3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.565 -6.258 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.630 -3.383 2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.749 -3.991 4.076 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.130 -2.926 2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.308 -4.637 2.130 1.00 0.00 H new ATOM 0 HE ARG A 45 7.246 -3.885 0.431 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.605 -2.827 0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.762 -2.215 -0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.437 -3.032 -1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.968 -2.332 -2.195 1.00 0.00 H new ATOM 688 N LYS A 46 6.922 -8.268 1.393 1.00 0.00 N ATOM 689 CA LYS A 46 6.601 -9.664 1.160 1.00 0.00 C ATOM 690 C LYS A 46 6.234 -10.377 2.467 1.00 0.00 C ATOM 691 O LYS A 46 6.806 -10.086 3.550 1.00 0.00 O ATOM 692 CB LYS A 46 7.748 -10.385 0.390 1.00 0.00 C ATOM 693 CG LYS A 46 8.909 -10.903 1.246 1.00 0.00 C ATOM 694 CD LYS A 46 10.167 -11.259 0.421 1.00 0.00 C ATOM 695 CE LYS A 46 9.911 -12.166 -0.804 1.00 0.00 C ATOM 696 NZ LYS A 46 9.263 -13.459 -0.493 1.00 0.00 N ATOM 0 H LYS A 46 7.914 -8.068 1.517 1.00 0.00 H new ATOM 0 HA LYS A 46 5.718 -9.706 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.320 -11.227 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.150 -9.696 -0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.171 -10.147 1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.581 -11.786 1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.632 -10.334 0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.885 -11.753 1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.287 -11.625 -1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.862 -12.362 -1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.473 -14.143 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.626 -13.820 0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.234 -13.324 -0.425 1.00 0.00 H new ATOM 710 N GLY A 47 5.222 -11.211 2.375 1.00 0.00 N ATOM 711 CA GLY A 47 4.763 -12.023 3.476 1.00 0.00 C ATOM 712 C GLY A 47 4.053 -11.189 4.477 1.00 0.00 C ATOM 713 O GLY A 47 4.322 -11.256 5.685 1.00 0.00 O ATOM 0 H GLY A 47 4.687 -11.345 1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.098 -12.804 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.611 -12.522 3.945 1.00 0.00 H new ATOM 717 N LYS A 48 3.249 -10.306 3.971 1.00 0.00 N ATOM 718 CA LYS A 48 2.418 -9.479 4.758 1.00 0.00 C ATOM 719 C LYS A 48 0.992 -9.781 4.368 1.00 0.00 C ATOM 720 O LYS A 48 0.725 -9.975 3.184 1.00 0.00 O ATOM 721 CB LYS A 48 2.802 -8.046 4.476 1.00 0.00 C ATOM 722 CG LYS A 48 4.242 -7.729 4.891 1.00 0.00 C ATOM 723 CD LYS A 48 4.449 -7.888 6.398 1.00 0.00 C ATOM 724 CE LYS A 48 5.913 -8.130 6.743 1.00 0.00 C ATOM 725 NZ LYS A 48 6.403 -9.433 6.193 1.00 0.00 N ATOM 0 H LYS A 48 3.158 -10.144 2.968 1.00 0.00 H new ATOM 0 HA LYS A 48 2.527 -9.653 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.682 -7.844 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.120 -7.380 5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.927 -8.389 4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.489 -6.709 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.098 -6.992 6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.847 -8.720 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.520 -7.316 6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.038 -8.122 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.206 -9.770 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.636 -10.135 6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.708 -9.301 5.208 1.00 0.00 H new ATOM 739 N PRO A 49 0.088 -9.898 5.348 1.00 0.00 N ATOM 740 CA PRO A 49 -1.307 -10.267 5.095 1.00 0.00 C ATOM 741 C PRO A 49 -2.047 -9.251 4.235 1.00 0.00 C ATOM 742 O PRO A 49 -2.006 -8.042 4.489 1.00 0.00 O ATOM 743 CB PRO A 49 -1.931 -10.341 6.498 1.00 0.00 C ATOM 744 CG PRO A 49 -1.038 -9.523 7.362 1.00 0.00 C ATOM 745 CD PRO A 49 0.339 -9.664 6.785 1.00 0.00 C ATOM 0 HA PRO A 49 -1.372 -11.201 4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.948 -9.949 6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.986 -11.371 6.851 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.352 -8.479 7.370 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.066 -9.873 8.394 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.936 -8.767 6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.881 -10.494 7.238 1.00 0.00 H new ATOM 753 N CYS A 50 -2.696 -9.747 3.232 1.00 0.00 N ATOM 754 CA CYS A 50 -3.471 -8.960 2.357 1.00 0.00 C ATOM 755 C CYS A 50 -4.879 -9.545 2.343 1.00 0.00 C ATOM 756 O CYS A 50 -5.284 -10.184 3.315 1.00 0.00 O ATOM 757 CB CYS A 50 -2.841 -8.948 0.955 1.00 0.00 C ATOM 758 SG CYS A 50 -2.862 -10.539 0.052 1.00 0.00 S ATOM 0 H CYS A 50 -2.695 -10.740 3.001 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.511 -7.923 2.690 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.360 -8.204 0.351 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.806 -8.619 1.046 1.00 0.00 H new ATOM 763 N THR A 51 -5.609 -9.316 1.281 1.00 0.00 N ATOM 764 CA THR A 51 -6.961 -9.805 1.125 1.00 0.00 C ATOM 765 C THR A 51 -7.064 -11.324 1.200 1.00 0.00 C ATOM 766 O THR A 51 -7.639 -11.887 2.123 1.00 0.00 O ATOM 767 CB THR A 51 -7.479 -9.371 -0.243 1.00 0.00 C ATOM 768 OG1 THR A 51 -6.417 -9.535 -1.211 1.00 0.00 O ATOM 769 CG2 THR A 51 -7.912 -7.950 -0.217 1.00 0.00 C ATOM 0 H THR A 51 -5.276 -8.774 0.483 1.00 0.00 H new ATOM 0 HA THR A 51 -7.547 -9.390 1.945 1.00 0.00 H new ATOM 0 HB THR A 51 -8.339 -9.985 -0.512 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.899 -8.706 -1.271 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.277 -7.663 -1.203 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.709 -7.826 0.516 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.067 -7.317 0.055 1.00 0.00 H new ATOM 777 N VAL A 52 -6.525 -11.948 0.200 1.00 0.00 N ATOM 778 CA VAL A 52 -6.628 -13.386 0.039 1.00 0.00 C ATOM 779 C VAL A 52 -5.563 -14.181 0.796 1.00 0.00 C ATOM 780 O VAL A 52 -5.845 -15.257 1.315 1.00 0.00 O ATOM 781 CB VAL A 52 -6.665 -13.789 -1.459 1.00 0.00 C ATOM 782 CG1 VAL A 52 -7.855 -13.125 -2.144 1.00 0.00 C ATOM 783 CG2 VAL A 52 -5.376 -13.410 -2.178 1.00 0.00 C ATOM 0 H VAL A 52 -5.996 -11.483 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.579 -13.657 0.499 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.768 -14.873 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.876 -13.411 -3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.778 -13.446 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.762 -12.042 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.442 -13.709 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.229 -12.332 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.534 -13.918 -1.708 1.00 0.00 H new ATOM 793 N GLY A 53 -4.387 -13.643 0.882 1.00 0.00 N ATOM 794 CA GLY A 53 -3.309 -14.330 1.503 1.00 0.00 C ATOM 795 C GLY A 53 -2.216 -13.386 1.902 1.00 0.00 C ATOM 796 O GLY A 53 -2.441 -12.459 2.698 1.00 0.00 O ATOM 0 H GLY A 53 -4.152 -12.718 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.673 -14.861 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.912 -15.081 0.819 1.00 0.00 H new ATOM 800 N PHE A 54 -1.041 -13.590 1.373 1.00 0.00 N ATOM 801 CA PHE A 54 0.052 -12.723 1.654 1.00 0.00 C ATOM 802 C PHE A 54 0.548 -12.047 0.412 1.00 0.00 C ATOM 803 O PHE A 54 0.412 -12.549 -0.676 1.00 0.00 O ATOM 804 CB PHE A 54 1.185 -13.466 2.356 1.00 0.00 C ATOM 805 CG PHE A 54 1.950 -14.492 1.537 1.00 0.00 C ATOM 806 CD1 PHE A 54 1.546 -15.817 1.506 1.00 0.00 C ATOM 807 CD2 PHE A 54 3.091 -14.129 0.828 1.00 0.00 C ATOM 808 CE1 PHE A 54 2.257 -16.757 0.784 1.00 0.00 C ATOM 809 CE2 PHE A 54 3.800 -15.063 0.104 1.00 0.00 C ATOM 810 CZ PHE A 54 3.386 -16.379 0.082 1.00 0.00 C ATOM 0 H PHE A 54 -0.823 -14.359 0.740 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.313 -11.951 2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.897 -12.727 2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.770 -13.971 3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.665 -16.119 2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.425 -13.102 0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.931 -17.786 0.768 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.680 -14.765 -0.446 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.943 -17.112 -0.483 1.00 0.00 H new ATOM 820 N CYS A 55 1.127 -10.928 0.593 1.00 0.00 N ATOM 821 CA CYS A 55 1.698 -10.178 -0.498 1.00 0.00 C ATOM 822 C CYS A 55 3.093 -10.586 -0.718 1.00 0.00 C ATOM 823 O CYS A 55 3.854 -10.656 0.230 1.00 0.00 O ATOM 824 CB CYS A 55 1.717 -8.712 -0.166 1.00 0.00 C ATOM 825 SG CYS A 55 0.096 -7.944 -0.184 1.00 0.00 S ATOM 0 H CYS A 55 1.230 -10.484 1.506 1.00 0.00 H new ATOM 0 HA CYS A 55 1.093 -10.368 -1.384 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.161 -8.578 0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.361 -8.196 -0.878 1.00 0.00 H new ATOM 830 N ASP A 56 3.460 -10.882 -1.922 1.00 0.00 N ATOM 831 CA ASP A 56 4.872 -11.106 -2.147 1.00 0.00 C ATOM 832 C ASP A 56 5.438 -9.998 -3.045 1.00 0.00 C ATOM 833 O ASP A 56 4.712 -9.052 -3.383 1.00 0.00 O ATOM 834 CB ASP A 56 5.199 -12.512 -2.651 1.00 0.00 C ATOM 835 CG ASP A 56 6.606 -12.904 -2.219 1.00 0.00 C ATOM 836 OD1 ASP A 56 7.577 -12.617 -2.952 1.00 0.00 O ATOM 837 OD2 ASP A 56 6.778 -13.419 -1.087 1.00 0.00 O ATOM 0 H ASP A 56 2.849 -10.974 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 56 5.372 -11.052 -1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.476 -13.226 -2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.120 -12.546 -3.738 1.00 0.00 H new ATOM 842 N MET A 57 6.696 -10.120 -3.466 1.00 0.00 N ATOM 843 CA MET A 57 7.421 -9.051 -4.199 1.00 0.00 C ATOM 844 C MET A 57 6.877 -8.754 -5.588 1.00 0.00 C ATOM 845 O MET A 57 7.351 -7.849 -6.261 1.00 0.00 O ATOM 846 CB MET A 57 8.922 -9.342 -4.263 1.00 0.00 C ATOM 847 CG MET A 57 9.623 -9.200 -2.927 1.00 0.00 C ATOM 848 SD MET A 57 11.362 -9.690 -2.963 1.00 0.00 S ATOM 849 CE MET A 57 12.029 -8.542 -4.174 1.00 0.00 C ATOM 0 H MET A 57 7.254 -10.960 -3.314 1.00 0.00 H new ATOM 0 HA MET A 57 7.250 -8.147 -3.615 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.072 -10.355 -4.637 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.385 -8.665 -4.981 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.554 -8.163 -2.599 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.100 -9.804 -2.186 1.00 0.00 H new ATOM 0 HE1 MET A 57 13.118 -8.551 -4.123 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.710 -8.841 -5.173 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.664 -7.537 -3.962 1.00 0.00 H new ATOM 859 N ASN A 58 5.898 -9.502 -6.008 1.00 0.00 N ATOM 860 CA ASN A 58 5.257 -9.259 -7.290 1.00 0.00 C ATOM 861 C ASN A 58 4.180 -8.183 -7.124 1.00 0.00 C ATOM 862 O ASN A 58 3.804 -7.500 -8.071 1.00 0.00 O ATOM 863 CB ASN A 58 4.646 -10.571 -7.830 1.00 0.00 C ATOM 864 CG ASN A 58 3.942 -10.416 -9.177 1.00 0.00 C ATOM 865 OD1 ASN A 58 2.752 -10.169 -9.243 1.00 0.00 O ATOM 866 ND2 ASN A 58 4.676 -10.573 -10.254 1.00 0.00 N ATOM 0 H ASN A 58 5.517 -10.291 -5.486 1.00 0.00 H new ATOM 0 HA ASN A 58 5.996 -8.906 -8.010 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.436 -11.315 -7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.933 -10.956 -7.101 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.251 -10.489 -11.177 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.671 -10.779 -10.167 1.00 0.00 H new ATOM 873 N GLY A 59 3.746 -7.991 -5.882 1.00 0.00 N ATOM 874 CA GLY A 59 2.661 -7.078 -5.612 1.00 0.00 C ATOM 875 C GLY A 59 1.355 -7.775 -5.795 1.00 0.00 C ATOM 876 O GLY A 59 0.332 -7.152 -6.034 1.00 0.00 O ATOM 0 H GLY A 59 4.130 -8.455 -5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.740 -6.696 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.722 -6.219 -6.280 1.00 0.00 H new ATOM 880 N LYS A 60 1.415 -9.060 -5.663 1.00 0.00 N ATOM 881 CA LYS A 60 0.294 -9.944 -5.765 1.00 0.00 C ATOM 882 C LYS A 60 0.179 -10.637 -4.469 1.00 0.00 C ATOM 883 O LYS A 60 1.129 -10.689 -3.671 1.00 0.00 O ATOM 884 CB LYS A 60 0.543 -10.968 -6.874 1.00 0.00 C ATOM 885 CG LYS A 60 -0.558 -12.004 -7.118 1.00 0.00 C ATOM 886 CD LYS A 60 -0.113 -13.051 -8.128 1.00 0.00 C ATOM 887 CE LYS A 60 -0.965 -14.317 -8.036 1.00 0.00 C ATOM 888 NZ LYS A 60 -0.817 -14.995 -6.716 1.00 0.00 N ATOM 0 H LYS A 60 2.290 -9.548 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.618 -9.396 -6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.712 -10.426 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.466 -11.501 -6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.819 -12.490 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.457 -11.505 -7.479 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.180 -12.638 -9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.934 -13.302 -7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.012 -14.062 -8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.679 -15.005 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.653 -15.587 -6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.035 -15.592 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.730 -14.280 -5.966 1.00 0.00 H new ATOM 902 N CYS A 61 -0.946 -11.131 -4.289 1.00 0.00 N ATOM 903 CA CYS A 61 -1.334 -11.835 -3.154 1.00 0.00 C ATOM 904 C CYS A 61 -1.272 -13.305 -3.470 1.00 0.00 C ATOM 905 O CYS A 61 -1.819 -13.755 -4.511 1.00 0.00 O ATOM 906 CB CYS A 61 -2.757 -11.467 -2.847 1.00 0.00 C ATOM 907 SG CYS A 61 -3.064 -9.963 -1.887 1.00 0.00 S ATOM 0 H CYS A 61 -1.691 -11.055 -4.981 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.688 -11.603 -2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.288 -11.372 -3.794 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.209 -12.302 -2.311 1.00 0.00 H new ATOM 912 N GLU A 62 -0.602 -14.021 -2.650 1.00 0.00 N ATOM 913 CA GLU A 62 -0.504 -15.414 -2.751 1.00 0.00 C ATOM 914 C GLU A 62 -1.356 -15.965 -1.625 1.00 0.00 C ATOM 915 O GLU A 62 -2.423 -16.513 -1.911 1.00 0.00 O ATOM 916 CB GLU A 62 0.958 -15.899 -2.619 1.00 0.00 C ATOM 917 CG GLU A 62 1.987 -15.167 -3.506 1.00 0.00 C ATOM 918 CD GLU A 62 1.569 -15.054 -4.957 1.00 0.00 C ATOM 919 OE1 GLU A 62 1.379 -16.080 -5.647 1.00 0.00 O ATOM 920 OE2 GLU A 62 1.381 -13.927 -5.444 1.00 0.00 O ATOM 921 OXT GLU A 62 -0.997 -15.706 -0.438 1.00 0.00 O ATOM 0 H GLU A 62 -0.088 -13.631 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.844 -15.759 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.264 -15.795 -1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.992 -16.962 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.152 -14.167 -3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.940 -15.693 -3.452 1.00 0.00 H new