USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=14 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 10 LYS NZ :NH3+ -139:sc= 1.14 (180deg=0.289) USER MOD Set 1.2: A 57 THR OG1 : rot -113:sc= 1.18 USER MOD Set 2.1: A 27 THR OG1 : rot -50:sc= 1.2 USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= -0.489 USER MOD Set 3.1: A 32 MET CE :methyl -163:sc= -0.929 (180deg=-1.83!) USER MOD Set 3.2: A 43 SER OG : rot 180:sc= -2.38! USER MOD Single : A 4 ASN : amide:sc= 0.0526 X(o=0.053,f=0) USER MOD Single : A 5 MET CE :methyl -147:sc= -0.0714 (180deg=-1.1) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.31 K(o=-0.31,f=-3.8!) USER MOD Single : A 13 TYR OH : rot -130:sc= 0.258 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 2:sc= 0.25 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.73) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 54 ASN : amide:sc= -0.0261 X(o=-0.026,f=-0.048) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 38 N ASN A 4 -11.533 1.192 3.618 1.00 0.00 N ATOM 39 CA ASN A 4 -11.170 2.293 2.727 1.00 0.00 C ATOM 40 C ASN A 4 -10.293 3.276 3.494 1.00 0.00 C ATOM 41 O ASN A 4 -10.396 4.495 3.336 1.00 0.00 O ATOM 42 CB ASN A 4 -12.421 2.998 2.170 1.00 0.00 C ATOM 43 CG ASN A 4 -13.401 3.447 3.244 1.00 0.00 C ATOM 44 OD1 ASN A 4 -14.300 2.696 3.635 1.00 0.00 O ATOM 45 ND2 ASN A 4 -13.248 4.672 3.717 1.00 0.00 N ATOM 0 HA ASN A 4 -10.619 1.896 1.874 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.109 3.866 1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.932 2.323 1.484 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.885 5.027 4.430 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.493 5.263 3.369 1.00 0.00 H new ATOM 52 N MET A 5 -9.403 2.715 4.301 1.00 0.00 N ATOM 53 CA MET A 5 -8.592 3.485 5.231 1.00 0.00 C ATOM 54 C MET A 5 -7.386 4.080 4.520 1.00 0.00 C ATOM 55 O MET A 5 -6.670 3.378 3.816 1.00 0.00 O ATOM 56 CB MET A 5 -8.116 2.580 6.374 1.00 0.00 C ATOM 57 CG MET A 5 -7.707 3.339 7.626 1.00 0.00 C ATOM 58 SD MET A 5 -7.380 2.245 9.024 1.00 0.00 S ATOM 59 CE MET A 5 -7.012 3.440 10.308 1.00 0.00 C ATOM 0 H MET A 5 -9.223 1.711 4.328 1.00 0.00 H new ATOM 0 HA MET A 5 -9.199 4.296 5.633 1.00 0.00 H new ATOM 0 HB2 MET A 5 -8.913 1.881 6.628 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.270 1.987 6.027 1.00 0.00 H new ATOM 0 HG2 MET A 5 -6.815 3.928 7.414 1.00 0.00 H new ATOM 0 HG3 MET A 5 -8.496 4.041 7.895 1.00 0.00 H new ATOM 0 HE1 MET A 5 -6.271 3.024 10.990 1.00 0.00 H new ATOM 0 HE2 MET A 5 -6.619 4.351 9.856 1.00 0.00 H new ATOM 0 HE3 MET A 5 -7.923 3.673 10.860 1.00 0.00 H new ATOM 69 N PRO A 6 -7.154 5.386 4.677 1.00 0.00 N ATOM 70 CA PRO A 6 -5.980 6.045 4.111 1.00 0.00 C ATOM 71 C PRO A 6 -4.702 5.622 4.830 1.00 0.00 C ATOM 72 O PRO A 6 -4.642 5.629 6.060 1.00 0.00 O ATOM 73 CB PRO A 6 -6.245 7.540 4.341 1.00 0.00 C ATOM 74 CG PRO A 6 -7.678 7.638 4.755 1.00 0.00 C ATOM 75 CD PRO A 6 -8.008 6.328 5.406 1.00 0.00 C ATOM 0 HA PRO A 6 -5.835 5.790 3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.587 7.940 5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.059 8.115 3.434 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.829 8.467 5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.322 7.820 3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.783 6.337 6.473 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.064 6.080 5.305 1.00 0.00 H new ATOM 83 N ALA A 7 -3.687 5.248 4.062 1.00 0.00 N ATOM 84 CA ALA A 7 -2.421 4.819 4.633 1.00 0.00 C ATOM 85 C ALA A 7 -1.265 5.601 4.041 1.00 0.00 C ATOM 86 O ALA A 7 -1.120 5.704 2.825 1.00 0.00 O ATOM 87 CB ALA A 7 -2.208 3.328 4.422 1.00 0.00 C ATOM 0 H ALA A 7 -3.718 5.234 3.043 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.458 5.016 5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.254 3.031 4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.014 2.774 4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.203 3.109 3.354 1.00 0.00 H new ATOM 93 N TYR A 8 -0.448 6.145 4.914 1.00 0.00 N ATOM 94 CA TYR A 8 0.710 6.913 4.516 1.00 0.00 C ATOM 95 C TYR A 8 1.901 5.985 4.336 1.00 0.00 C ATOM 96 O TYR A 8 2.235 5.216 5.235 1.00 0.00 O ATOM 97 CB TYR A 8 0.993 7.982 5.572 1.00 0.00 C ATOM 98 CG TYR A 8 -0.189 8.901 5.791 1.00 0.00 C ATOM 99 CD1 TYR A 8 -0.888 9.427 4.712 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.613 9.233 7.074 1.00 0.00 C ATOM 101 CE1 TYR A 8 -1.975 10.255 4.902 1.00 0.00 C ATOM 102 CE2 TYR A 8 -1.700 10.065 7.270 1.00 0.00 C ATOM 103 CZ TYR A 8 -2.378 10.571 6.180 1.00 0.00 C ATOM 104 OH TYR A 8 -3.466 11.397 6.366 1.00 0.00 O ATOM 0 H TYR A 8 -0.568 6.067 5.924 1.00 0.00 H new ATOM 0 HA TYR A 8 0.522 7.410 3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.254 7.499 6.514 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.857 8.572 5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.575 9.184 3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.086 8.835 7.929 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.508 10.654 4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.017 10.317 8.271 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.622 11.522 7.325 1.00 0.00 H new ATOM 114 N VAL A 9 2.517 6.043 3.165 1.00 0.00 N ATOM 115 CA VAL A 9 3.600 5.133 2.818 1.00 0.00 C ATOM 116 C VAL A 9 4.794 5.285 3.763 1.00 0.00 C ATOM 117 O VAL A 9 5.310 6.387 3.963 1.00 0.00 O ATOM 118 CB VAL A 9 4.061 5.342 1.361 1.00 0.00 C ATOM 119 CG1 VAL A 9 5.269 4.478 1.053 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.931 5.029 0.395 1.00 0.00 C ATOM 0 H VAL A 9 2.284 6.715 2.434 1.00 0.00 H new ATOM 0 HA VAL A 9 3.205 4.122 2.922 1.00 0.00 H new ATOM 0 HB VAL A 9 4.344 6.388 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.579 4.640 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.087 4.744 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.011 3.428 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.274 5.182 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.620 3.992 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.087 5.688 0.597 1.00 0.00 H new ATOM 130 N LYS A 10 5.218 4.161 4.332 1.00 0.00 N ATOM 131 CA LYS A 10 6.374 4.119 5.233 1.00 0.00 C ATOM 132 C LYS A 10 7.643 4.531 4.501 1.00 0.00 C ATOM 133 O LYS A 10 8.387 5.410 4.943 1.00 0.00 O ATOM 134 CB LYS A 10 6.583 2.696 5.768 1.00 0.00 C ATOM 135 CG LYS A 10 5.735 2.307 6.965 1.00 0.00 C ATOM 136 CD LYS A 10 6.344 2.802 8.261 1.00 0.00 C ATOM 137 CE LYS A 10 6.050 1.852 9.416 1.00 0.00 C ATOM 138 NZ LYS A 10 4.596 1.586 9.579 1.00 0.00 N ATOM 0 H LYS A 10 4.775 3.254 4.185 1.00 0.00 H new ATOM 0 HA LYS A 10 6.174 4.809 6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.382 1.992 4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.633 2.581 6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.733 2.720 6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.631 1.223 7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.422 2.907 8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.951 3.792 8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.572 0.910 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.444 2.275 10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.355 1.581 10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.051 2.329 9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.363 0.662 9.163 1.00 0.00 H new ATOM 152 N PHE A 11 7.865 3.882 3.369 1.00 0.00 N ATOM 153 CA PHE A 11 9.125 3.963 2.664 1.00 0.00 C ATOM 154 C PHE A 11 8.935 3.531 1.209 1.00 0.00 C ATOM 155 O PHE A 11 8.005 2.786 0.897 1.00 0.00 O ATOM 156 CB PHE A 11 10.150 3.104 3.416 1.00 0.00 C ATOM 157 CG PHE A 11 10.952 2.169 2.575 1.00 0.00 C ATOM 158 CD1 PHE A 11 12.078 2.619 1.918 1.00 0.00 C ATOM 159 CD2 PHE A 11 10.588 0.837 2.462 1.00 0.00 C ATOM 160 CE1 PHE A 11 12.837 1.761 1.150 1.00 0.00 C ATOM 161 CE2 PHE A 11 11.344 -0.030 1.698 1.00 0.00 C ATOM 162 CZ PHE A 11 12.470 0.432 1.041 1.00 0.00 C ATOM 0 H PHE A 11 7.173 3.285 2.916 1.00 0.00 H new ATOM 0 HA PHE A 11 9.498 4.987 2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.835 3.767 3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.624 2.522 4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.369 3.655 2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.709 0.475 2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 11 13.714 2.125 0.636 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.056 -1.068 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.062 -0.245 0.443 1.00 0.00 H new ATOM 172 N ASN A 12 9.801 4.020 0.331 1.00 0.00 N ATOM 173 CA ASN A 12 9.658 3.810 -1.114 1.00 0.00 C ATOM 174 C ASN A 12 9.762 2.329 -1.489 1.00 0.00 C ATOM 175 O ASN A 12 10.800 1.698 -1.305 1.00 0.00 O ATOM 176 CB ASN A 12 10.726 4.622 -1.864 1.00 0.00 C ATOM 177 CG ASN A 12 10.476 4.714 -3.365 1.00 0.00 C ATOM 178 OD1 ASN A 12 9.936 3.802 -3.986 1.00 0.00 O ATOM 179 ND2 ASN A 12 10.882 5.826 -3.963 1.00 0.00 N ATOM 0 H ASN A 12 10.619 4.571 0.592 1.00 0.00 H new ATOM 0 HA ASN A 12 8.665 4.152 -1.405 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.765 5.629 -1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.702 4.169 -1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.749 5.943 -4.968 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.327 6.565 -3.418 1.00 0.00 H new ATOM 186 N TYR A 13 8.675 1.789 -2.020 1.00 0.00 N ATOM 187 CA TYR A 13 8.634 0.410 -2.492 1.00 0.00 C ATOM 188 C TYR A 13 8.291 0.386 -3.976 1.00 0.00 C ATOM 189 O TYR A 13 7.233 0.866 -4.383 1.00 0.00 O ATOM 190 CB TYR A 13 7.611 -0.415 -1.701 1.00 0.00 C ATOM 191 CG TYR A 13 7.435 -1.825 -2.224 1.00 0.00 C ATOM 192 CD1 TYR A 13 8.392 -2.802 -1.981 1.00 0.00 C ATOM 193 CD2 TYR A 13 6.316 -2.177 -2.970 1.00 0.00 C ATOM 194 CE1 TYR A 13 8.238 -4.089 -2.461 1.00 0.00 C ATOM 195 CE2 TYR A 13 6.155 -3.463 -3.456 1.00 0.00 C ATOM 196 CZ TYR A 13 7.119 -4.416 -3.198 1.00 0.00 C ATOM 197 OH TYR A 13 6.964 -5.701 -3.677 1.00 0.00 O ATOM 0 H TYR A 13 7.796 2.293 -2.136 1.00 0.00 H new ATOM 0 HA TYR A 13 9.617 -0.036 -2.339 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.922 -0.460 -0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.648 0.095 -1.725 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.272 -2.552 -1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.559 -1.434 -3.174 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.991 -4.836 -2.260 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.279 -3.719 -4.034 1.00 0.00 H new ATOM 0 HH TYR A 13 6.742 -5.670 -4.631 1.00 0.00 H new ATOM 207 N MET A 14 9.183 -0.166 -4.779 1.00 0.00 N ATOM 208 CA MET A 14 8.995 -0.192 -6.221 1.00 0.00 C ATOM 209 C MET A 14 8.205 -1.425 -6.628 1.00 0.00 C ATOM 210 O MET A 14 8.426 -2.521 -6.106 1.00 0.00 O ATOM 211 CB MET A 14 10.348 -0.179 -6.950 1.00 0.00 C ATOM 212 CG MET A 14 11.295 0.923 -6.496 1.00 0.00 C ATOM 213 SD MET A 14 12.065 0.574 -4.897 1.00 0.00 S ATOM 214 CE MET A 14 13.092 2.025 -4.679 1.00 0.00 C ATOM 0 H MET A 14 10.047 -0.603 -4.458 1.00 0.00 H new ATOM 0 HA MET A 14 8.438 0.701 -6.505 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.835 -1.143 -6.804 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.170 -0.071 -8.020 1.00 0.00 H new ATOM 0 HG2 MET A 14 12.074 1.058 -7.247 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.747 1.863 -6.432 1.00 0.00 H new ATOM 0 HE1 MET A 14 13.629 1.952 -3.733 1.00 0.00 H new ATOM 0 HE2 MET A 14 13.807 2.091 -5.499 1.00 0.00 H new ATOM 0 HE3 MET A 14 12.465 2.917 -4.672 1.00 0.00 H new ATOM 224 N ALA A 15 7.268 -1.235 -7.539 1.00 0.00 N ATOM 225 CA ALA A 15 6.477 -2.335 -8.064 1.00 0.00 C ATOM 226 C ALA A 15 6.622 -2.406 -9.575 1.00 0.00 C ATOM 227 O ALA A 15 6.819 -1.381 -10.232 1.00 0.00 O ATOM 228 CB ALA A 15 5.017 -2.165 -7.686 1.00 0.00 C ATOM 0 H ALA A 15 7.035 -0.324 -7.933 1.00 0.00 H new ATOM 0 HA ALA A 15 6.842 -3.266 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.438 -2.997 -8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.922 -2.147 -6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.641 -1.229 -8.099 1.00 0.00 H new ATOM 234 N GLU A 16 6.533 -3.607 -10.125 1.00 0.00 N ATOM 235 CA GLU A 16 6.669 -3.786 -11.561 1.00 0.00 C ATOM 236 C GLU A 16 5.482 -4.543 -12.134 1.00 0.00 C ATOM 237 O GLU A 16 5.040 -4.268 -13.252 1.00 0.00 O ATOM 238 CB GLU A 16 7.959 -4.535 -11.889 1.00 0.00 C ATOM 239 CG GLU A 16 9.219 -3.819 -11.430 1.00 0.00 C ATOM 240 CD GLU A 16 10.473 -4.519 -11.901 1.00 0.00 C ATOM 241 OE1 GLU A 16 10.930 -4.230 -13.026 1.00 0.00 O ATOM 242 OE2 GLU A 16 10.995 -5.379 -11.162 1.00 0.00 O ATOM 0 H GLU A 16 6.368 -4.467 -9.602 1.00 0.00 H new ATOM 0 HA GLU A 16 6.703 -2.795 -12.015 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.923 -5.521 -11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.013 -4.691 -12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.212 -2.796 -11.806 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.225 -3.758 -10.342 1.00 0.00 H new ATOM 249 N ARG A 17 4.966 -5.497 -11.372 1.00 0.00 N ATOM 250 CA ARG A 17 3.879 -6.332 -11.846 1.00 0.00 C ATOM 251 C ARG A 17 2.524 -5.674 -11.633 1.00 0.00 C ATOM 252 O ARG A 17 2.382 -4.739 -10.845 1.00 0.00 O ATOM 253 CB ARG A 17 3.906 -7.700 -11.175 1.00 0.00 C ATOM 254 CG ARG A 17 5.019 -8.603 -11.679 1.00 0.00 C ATOM 255 CD ARG A 17 4.666 -10.066 -11.463 1.00 0.00 C ATOM 256 NE ARG A 17 3.337 -10.372 -11.996 1.00 0.00 N ATOM 257 CZ ARG A 17 3.095 -10.679 -13.269 1.00 0.00 C ATOM 258 NH1 ARG A 17 4.088 -10.765 -14.145 1.00 0.00 N ATOM 259 NH2 ARG A 17 1.852 -10.924 -13.663 1.00 0.00 N ATOM 0 H ARG A 17 5.283 -5.709 -10.426 1.00 0.00 H new ATOM 0 HA ARG A 17 4.025 -6.463 -12.918 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.018 -7.565 -10.099 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.948 -8.194 -11.337 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.191 -8.418 -12.739 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.948 -8.368 -11.159 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.410 -10.698 -11.948 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.696 -10.297 -10.398 1.00 0.00 H new ATOM 0 HE ARG A 17 2.547 -10.349 -11.352 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.048 -10.595 -13.846 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.891 -11.001 -15.118 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.086 -10.877 -12.992 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.663 -11.159 -14.637 1.00 0.00 H new ATOM 273 N GLU A 18 1.533 -6.191 -12.342 1.00 0.00 N ATOM 274 CA GLU A 18 0.181 -5.650 -12.309 1.00 0.00 C ATOM 275 C GLU A 18 -0.507 -5.975 -10.985 1.00 0.00 C ATOM 276 O GLU A 18 -1.454 -5.304 -10.583 1.00 0.00 O ATOM 277 CB GLU A 18 -0.622 -6.225 -13.473 1.00 0.00 C ATOM 278 CG GLU A 18 0.112 -6.158 -14.803 1.00 0.00 C ATOM 279 CD GLU A 18 -0.621 -6.886 -15.910 1.00 0.00 C ATOM 280 OE1 GLU A 18 -1.324 -7.877 -15.615 1.00 0.00 O ATOM 281 OE2 GLU A 18 -0.492 -6.477 -17.082 1.00 0.00 O ATOM 0 H GLU A 18 1.642 -6.997 -12.957 1.00 0.00 H new ATOM 0 HA GLU A 18 0.236 -4.565 -12.401 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.871 -7.264 -13.255 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.564 -5.683 -13.558 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.247 -5.114 -15.087 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.107 -6.588 -14.687 1.00 0.00 H new ATOM 288 N ASP A 19 -0.015 -7.007 -10.312 1.00 0.00 N ATOM 289 CA ASP A 19 -0.576 -7.438 -9.032 1.00 0.00 C ATOM 290 C ASP A 19 0.110 -6.732 -7.868 1.00 0.00 C ATOM 291 O ASP A 19 -0.177 -7.004 -6.701 1.00 0.00 O ATOM 292 CB ASP A 19 -0.445 -8.957 -8.878 1.00 0.00 C ATOM 293 CG ASP A 19 0.974 -9.454 -9.093 1.00 0.00 C ATOM 294 OD1 ASP A 19 1.756 -9.493 -8.122 1.00 0.00 O ATOM 295 OD2 ASP A 19 1.311 -9.824 -10.243 1.00 0.00 O ATOM 0 H ASP A 19 0.776 -7.566 -10.631 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.632 -7.170 -9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.778 -9.246 -7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.108 -9.448 -9.591 1.00 0.00 H new ATOM 300 N GLU A 20 1.004 -5.816 -8.195 1.00 0.00 N ATOM 301 CA GLU A 20 1.751 -5.073 -7.192 1.00 0.00 C ATOM 302 C GLU A 20 1.239 -3.649 -7.068 1.00 0.00 C ATOM 303 O GLU A 20 0.434 -3.192 -7.878 1.00 0.00 O ATOM 304 CB GLU A 20 3.229 -5.013 -7.536 1.00 0.00 C ATOM 305 CG GLU A 20 3.979 -6.302 -7.305 1.00 0.00 C ATOM 306 CD GLU A 20 5.452 -6.145 -7.598 1.00 0.00 C ATOM 307 OE1 GLU A 20 5.814 -6.003 -8.785 1.00 0.00 O ATOM 308 OE2 GLU A 20 6.258 -6.149 -6.642 1.00 0.00 O ATOM 0 H GLU A 20 1.233 -5.566 -9.157 1.00 0.00 H new ATOM 0 HA GLU A 20 1.612 -5.601 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.334 -4.729 -8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.695 -4.225 -6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.845 -6.622 -6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.562 -7.085 -7.938 1.00 0.00 H new ATOM 315 N LEU A 21 1.721 -2.956 -6.052 1.00 0.00 N ATOM 316 CA LEU A 21 1.434 -1.547 -5.879 1.00 0.00 C ATOM 317 C LEU A 21 2.695 -0.827 -5.407 1.00 0.00 C ATOM 318 O LEU A 21 3.212 -1.113 -4.327 1.00 0.00 O ATOM 319 CB LEU A 21 0.303 -1.354 -4.869 1.00 0.00 C ATOM 320 CG LEU A 21 -0.251 0.067 -4.773 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.767 0.523 -6.131 1.00 0.00 C ATOM 322 CD2 LEU A 21 -1.353 0.139 -3.733 1.00 0.00 C ATOM 0 H LEU A 21 2.319 -3.353 -5.328 1.00 0.00 H new ATOM 0 HA LEU A 21 1.115 -1.126 -6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.513 -2.028 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.662 -1.654 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 21 0.554 0.734 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.159 1.537 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.048 0.506 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.560 -0.147 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.736 1.158 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.161 -0.537 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.955 -0.152 -2.761 1.00 0.00 H new ATOM 334 N SER A 22 3.206 0.085 -6.227 1.00 0.00 N ATOM 335 CA SER A 22 4.425 0.804 -5.887 1.00 0.00 C ATOM 336 C SER A 22 4.106 1.951 -4.941 1.00 0.00 C ATOM 337 O SER A 22 3.227 2.768 -5.210 1.00 0.00 O ATOM 338 CB SER A 22 5.122 1.319 -7.138 1.00 0.00 C ATOM 339 OG SER A 22 6.460 1.707 -6.874 1.00 0.00 O ATOM 0 H SER A 22 2.797 0.342 -7.126 1.00 0.00 H new ATOM 0 HA SER A 22 5.104 0.114 -5.387 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.113 0.544 -7.904 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.569 2.169 -7.538 1.00 0.00 H new ATOM 0 HG SER A 22 6.673 1.530 -5.934 1.00 0.00 H new ATOM 345 N LEU A 23 4.821 1.996 -3.831 1.00 0.00 N ATOM 346 CA LEU A 23 4.542 2.959 -2.787 1.00 0.00 C ATOM 347 C LEU A 23 5.641 4.010 -2.723 1.00 0.00 C ATOM 348 O LEU A 23 6.822 3.691 -2.813 1.00 0.00 O ATOM 349 CB LEU A 23 4.423 2.244 -1.440 1.00 0.00 C ATOM 350 CG LEU A 23 3.458 1.057 -1.409 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.377 0.492 -0.006 1.00 0.00 C ATOM 352 CD2 LEU A 23 2.076 1.461 -1.898 1.00 0.00 C ATOM 0 H LEU A 23 5.603 1.372 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 23 3.599 3.457 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.412 1.894 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.105 2.969 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 23 3.839 0.288 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.688 -0.352 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.366 0.159 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.019 1.263 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.412 0.598 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.679 2.249 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.145 1.827 -2.923 1.00 0.00 H new ATOM 364 N ILE A 24 5.244 5.259 -2.563 1.00 0.00 N ATOM 365 CA ILE A 24 6.186 6.359 -2.498 1.00 0.00 C ATOM 366 C ILE A 24 6.105 7.023 -1.138 1.00 0.00 C ATOM 367 O ILE A 24 5.045 7.494 -0.739 1.00 0.00 O ATOM 368 CB ILE A 24 5.901 7.417 -3.584 1.00 0.00 C ATOM 369 CG1 ILE A 24 6.053 6.814 -4.982 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.813 8.627 -3.412 1.00 0.00 C ATOM 371 CD1 ILE A 24 7.451 6.327 -5.289 1.00 0.00 C ATOM 0 H ILE A 24 4.267 5.537 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 24 7.182 5.949 -2.665 1.00 0.00 H new ATOM 0 HB ILE A 24 4.870 7.752 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.357 5.981 -5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.768 7.561 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.595 9.360 -4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.643 9.074 -2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.854 8.313 -3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.479 5.913 -6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.150 7.160 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.733 5.556 -4.572 1.00 0.00 H new ATOM 383 N LYS A 25 7.207 7.034 -0.412 1.00 0.00 N ATOM 384 CA LYS A 25 7.241 7.731 0.863 1.00 0.00 C ATOM 385 C LYS A 25 6.857 9.190 0.640 1.00 0.00 C ATOM 386 O LYS A 25 7.503 9.907 -0.130 1.00 0.00 O ATOM 387 CB LYS A 25 8.625 7.635 1.507 1.00 0.00 C ATOM 388 CG LYS A 25 8.693 8.262 2.890 1.00 0.00 C ATOM 389 CD LYS A 25 10.069 8.090 3.513 1.00 0.00 C ATOM 390 CE LYS A 25 11.139 8.823 2.721 1.00 0.00 C ATOM 391 NZ LYS A 25 12.501 8.546 3.243 1.00 0.00 N ATOM 0 H LYS A 25 8.079 6.576 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 25 6.530 7.263 1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.913 6.586 1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.353 8.122 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.454 9.323 2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.941 7.806 3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.054 8.463 4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.316 7.030 3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.084 8.525 1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.947 9.895 2.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.202 9.064 2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.562 8.854 4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.694 7.526 3.185 1.00 0.00 H new ATOM 405 N GLY A 26 5.798 9.618 1.303 1.00 0.00 N ATOM 406 CA GLY A 26 5.279 10.946 1.075 1.00 0.00 C ATOM 407 C GLY A 26 3.878 10.921 0.490 1.00 0.00 C ATOM 408 O GLY A 26 3.146 11.910 0.567 1.00 0.00 O ATOM 0 H GLY A 26 5.288 9.069 1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.268 11.497 2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.944 11.483 0.399 1.00 0.00 H new ATOM 412 N THR A 27 3.497 9.792 -0.100 1.00 0.00 N ATOM 413 CA THR A 27 2.169 9.656 -0.677 1.00 0.00 C ATOM 414 C THR A 27 1.278 8.780 0.194 1.00 0.00 C ATOM 415 O THR A 27 1.729 8.211 1.196 1.00 0.00 O ATOM 416 CB THR A 27 2.214 9.098 -2.118 1.00 0.00 C ATOM 417 OG1 THR A 27 2.753 7.772 -2.141 1.00 0.00 O ATOM 418 CG2 THR A 27 3.050 9.995 -3.014 1.00 0.00 C ATOM 0 H THR A 27 4.087 8.964 -0.190 1.00 0.00 H new ATOM 0 HA THR A 27 1.744 10.659 -0.720 1.00 0.00 H new ATOM 0 HB THR A 27 1.190 9.069 -2.490 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.597 7.753 -1.643 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.069 9.585 -4.024 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.615 10.994 -3.036 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.067 10.051 -2.626 1.00 0.00 H new ATOM 426 N LYS A 28 0.014 8.684 -0.187 1.00 0.00 N ATOM 427 CA LYS A 28 -0.974 7.968 0.601 1.00 0.00 C ATOM 428 C LYS A 28 -1.740 6.969 -0.262 1.00 0.00 C ATOM 429 O LYS A 28 -2.177 7.299 -1.364 1.00 0.00 O ATOM 430 CB LYS A 28 -1.945 8.969 1.230 1.00 0.00 C ATOM 431 CG LYS A 28 -3.133 8.329 1.926 1.00 0.00 C ATOM 432 CD LYS A 28 -4.441 8.904 1.407 1.00 0.00 C ATOM 433 CE LYS A 28 -4.534 10.399 1.666 1.00 0.00 C ATOM 434 NZ LYS A 28 -5.790 10.975 1.124 1.00 0.00 N ATOM 0 H LYS A 28 -0.353 9.097 -1.044 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.460 7.413 1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.402 9.581 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.311 9.640 0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.116 7.251 1.765 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.061 8.492 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.524 8.713 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.278 8.398 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.481 10.586 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.679 10.900 1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.817 11.996 1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.828 10.819 0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.606 10.514 1.575 1.00 0.00 H new ATOM 448 N VAL A 29 -1.905 5.758 0.248 1.00 0.00 N ATOM 449 CA VAL A 29 -2.642 4.723 -0.463 1.00 0.00 C ATOM 450 C VAL A 29 -3.990 4.475 0.216 1.00 0.00 C ATOM 451 O VAL A 29 -4.177 4.818 1.384 1.00 0.00 O ATOM 452 CB VAL A 29 -1.844 3.396 -0.545 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.382 3.673 -0.854 1.00 0.00 C ATOM 454 CG2 VAL A 29 -1.972 2.569 0.732 1.00 0.00 C ATOM 0 H VAL A 29 -1.538 5.467 1.154 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.803 5.078 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.274 2.809 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.163 2.731 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.304 4.193 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.045 4.295 -0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.397 1.649 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.590 3.143 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.020 2.324 0.903 1.00 0.00 H new ATOM 464 N ILE A 30 -4.925 3.897 -0.519 1.00 0.00 N ATOM 465 CA ILE A 30 -6.245 3.602 0.017 1.00 0.00 C ATOM 466 C ILE A 30 -6.347 2.125 0.377 1.00 0.00 C ATOM 467 O ILE A 30 -6.399 1.270 -0.506 1.00 0.00 O ATOM 468 CB ILE A 30 -7.355 3.949 -1.001 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.253 5.415 -1.430 1.00 0.00 C ATOM 470 CG2 ILE A 30 -8.734 3.656 -0.416 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.537 6.403 -0.316 1.00 0.00 C ATOM 0 H ILE A 30 -4.795 3.621 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.383 4.213 0.909 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.218 3.323 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.252 5.600 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.952 5.593 -2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.501 3.907 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.805 2.598 -0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.882 4.253 0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.445 7.419 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.548 6.247 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.822 6.254 0.493 1.00 0.00 H new ATOM 483 N VAL A 31 -6.361 1.827 1.662 1.00 0.00 N ATOM 484 CA VAL A 31 -6.447 0.448 2.116 1.00 0.00 C ATOM 485 C VAL A 31 -7.899 0.034 2.277 1.00 0.00 C ATOM 486 O VAL A 31 -8.557 0.404 3.248 1.00 0.00 O ATOM 487 CB VAL A 31 -5.719 0.226 3.456 1.00 0.00 C ATOM 488 CG1 VAL A 31 -5.571 -1.258 3.732 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.367 0.912 3.456 1.00 0.00 C ATOM 0 H VAL A 31 -6.314 2.518 2.411 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.960 -0.162 1.355 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.318 0.668 4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.055 -1.402 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.557 -1.719 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.994 -1.721 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.872 0.741 4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.753 0.506 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.502 1.983 3.304 1.00 0.00 H new ATOM 499 N MET A 32 -8.397 -0.722 1.321 1.00 0.00 N ATOM 500 CA MET A 32 -9.788 -1.137 1.333 1.00 0.00 C ATOM 501 C MET A 32 -9.952 -2.486 2.010 1.00 0.00 C ATOM 502 O MET A 32 -10.902 -2.707 2.757 1.00 0.00 O ATOM 503 CB MET A 32 -10.322 -1.206 -0.091 1.00 0.00 C ATOM 504 CG MET A 32 -10.452 0.152 -0.758 1.00 0.00 C ATOM 505 SD MET A 32 -10.500 0.025 -2.555 1.00 0.00 S ATOM 506 CE MET A 32 -8.916 -0.755 -2.847 1.00 0.00 C ATOM 0 H MET A 32 -7.860 -1.063 0.524 1.00 0.00 H new ATOM 0 HA MET A 32 -10.356 -0.399 1.900 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.660 -1.833 -0.688 1.00 0.00 H new ATOM 0 HB3 MET A 32 -11.298 -1.692 -0.081 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.359 0.643 -0.406 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.613 0.782 -0.462 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.641 -0.640 -3.896 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.158 -0.286 -2.220 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.982 -1.815 -2.604 1.00 0.00 H new ATOM 516 N GLU A 33 -9.017 -3.383 1.765 1.00 0.00 N ATOM 517 CA GLU A 33 -9.121 -4.733 2.282 1.00 0.00 C ATOM 518 C GLU A 33 -7.811 -5.150 2.945 1.00 0.00 C ATOM 519 O GLU A 33 -6.747 -5.101 2.324 1.00 0.00 O ATOM 520 CB GLU A 33 -9.498 -5.676 1.138 1.00 0.00 C ATOM 521 CG GLU A 33 -9.782 -7.100 1.565 1.00 0.00 C ATOM 522 CD GLU A 33 -10.551 -7.859 0.506 1.00 0.00 C ATOM 523 OE1 GLU A 33 -10.124 -7.854 -0.667 1.00 0.00 O ATOM 524 OE2 GLU A 33 -11.609 -8.432 0.834 1.00 0.00 O ATOM 0 H GLU A 33 -8.179 -3.202 1.213 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.899 -4.781 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.378 -5.279 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.688 -5.684 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.842 -7.613 1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.351 -7.095 2.494 1.00 0.00 H new ATOM 531 N LYS A 34 -7.893 -5.540 4.215 1.00 0.00 N ATOM 532 CA LYS A 34 -6.709 -5.894 4.988 1.00 0.00 C ATOM 533 C LYS A 34 -6.749 -7.343 5.450 1.00 0.00 C ATOM 534 O LYS A 34 -7.772 -7.826 5.940 1.00 0.00 O ATOM 535 CB LYS A 34 -6.581 -4.991 6.218 1.00 0.00 C ATOM 536 CG LYS A 34 -6.203 -3.557 5.902 1.00 0.00 C ATOM 537 CD LYS A 34 -6.148 -2.692 7.155 1.00 0.00 C ATOM 538 CE LYS A 34 -5.222 -3.267 8.207 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.081 -2.369 9.390 1.00 0.00 N ATOM 0 H LYS A 34 -8.770 -5.618 4.730 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.850 -5.758 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.528 -4.994 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.832 -5.413 6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.233 -3.539 5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.926 -3.137 5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.814 -1.689 6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.151 -2.593 7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.602 -4.235 8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.240 -3.441 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.438 -2.805 10.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.693 -1.453 9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.013 -2.222 9.828 1.00 0.00 H new ATOM 553 N CYS A 35 -5.636 -8.029 5.276 1.00 0.00 N ATOM 554 CA CYS A 35 -5.431 -9.328 5.886 1.00 0.00 C ATOM 555 C CYS A 35 -4.486 -9.174 7.074 1.00 0.00 C ATOM 556 O CYS A 35 -3.822 -8.144 7.206 1.00 0.00 O ATOM 557 CB CYS A 35 -4.871 -10.317 4.863 1.00 0.00 C ATOM 558 SG CYS A 35 -6.033 -10.737 3.540 1.00 0.00 S ATOM 0 H CYS A 35 -4.852 -7.703 4.711 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.384 -9.723 6.237 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.968 -9.896 4.421 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.576 -11.231 5.379 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.473 -11.577 2.721 1.00 0.00 H new ATOM 564 N SER A 36 -4.428 -10.182 7.931 1.00 0.00 N ATOM 565 CA SER A 36 -3.640 -10.101 9.153 1.00 0.00 C ATOM 566 C SER A 36 -2.147 -9.993 8.853 1.00 0.00 C ATOM 567 O SER A 36 -1.423 -9.250 9.523 1.00 0.00 O ATOM 568 CB SER A 36 -3.919 -11.319 10.030 1.00 0.00 C ATOM 569 OG SER A 36 -5.299 -11.400 10.342 1.00 0.00 O ATOM 0 H SER A 36 -4.918 -11.067 7.803 1.00 0.00 H new ATOM 0 HA SER A 36 -3.934 -9.197 9.686 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.603 -12.226 9.514 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.336 -11.255 10.948 1.00 0.00 H new ATOM 0 HG SER A 36 -5.462 -12.187 10.903 1.00 0.00 H new ATOM 575 N ASP A 37 -1.687 -10.719 7.842 1.00 0.00 N ATOM 576 CA ASP A 37 -0.273 -10.714 7.502 1.00 0.00 C ATOM 577 C ASP A 37 -0.071 -10.780 5.995 1.00 0.00 C ATOM 578 O ASP A 37 -0.889 -11.349 5.271 1.00 0.00 O ATOM 579 CB ASP A 37 0.447 -11.894 8.169 1.00 0.00 C ATOM 580 CG ASP A 37 0.228 -13.214 7.450 1.00 0.00 C ATOM 581 OD1 ASP A 37 -0.848 -13.827 7.622 1.00 0.00 O ATOM 582 OD2 ASP A 37 1.148 -13.662 6.729 1.00 0.00 O ATOM 0 H ASP A 37 -2.267 -11.313 7.249 1.00 0.00 H new ATOM 0 HA ASP A 37 0.151 -9.780 7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.516 -11.683 8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.101 -11.987 9.199 1.00 0.00 H new ATOM 587 N GLY A 38 1.012 -10.174 5.532 1.00 0.00 N ATOM 588 CA GLY A 38 1.401 -10.306 4.147 1.00 0.00 C ATOM 589 C GLY A 38 1.025 -9.115 3.297 1.00 0.00 C ATOM 590 O GLY A 38 1.476 -7.994 3.542 1.00 0.00 O ATOM 0 H GLY A 38 1.630 -9.591 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.480 -10.454 4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.936 -11.200 3.731 1.00 0.00 H new ATOM 594 N TRP A 39 0.192 -9.363 2.299 1.00 0.00 N ATOM 595 CA TRP A 39 -0.146 -8.353 1.312 1.00 0.00 C ATOM 596 C TRP A 39 -1.514 -7.755 1.588 1.00 0.00 C ATOM 597 O TRP A 39 -2.469 -8.474 1.883 1.00 0.00 O ATOM 598 CB TRP A 39 -0.118 -8.959 -0.094 1.00 0.00 C ATOM 599 CG TRP A 39 1.236 -9.454 -0.509 1.00 0.00 C ATOM 600 CD1 TRP A 39 1.813 -10.650 -0.181 1.00 0.00 C ATOM 601 CD2 TRP A 39 2.176 -8.772 -1.346 1.00 0.00 C ATOM 602 NE1 TRP A 39 3.057 -10.745 -0.755 1.00 0.00 N ATOM 603 CE2 TRP A 39 3.305 -9.605 -1.475 1.00 0.00 C ATOM 604 CE3 TRP A 39 2.177 -7.535 -1.993 1.00 0.00 C ATOM 605 CZ2 TRP A 39 4.418 -9.239 -2.227 1.00 0.00 C ATOM 606 CZ3 TRP A 39 3.279 -7.175 -2.743 1.00 0.00 C ATOM 607 CH2 TRP A 39 4.387 -8.024 -2.854 1.00 0.00 C ATOM 0 H TRP A 39 -0.265 -10.263 2.152 1.00 0.00 H new ATOM 0 HA TRP A 39 0.596 -7.557 1.377 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -0.827 -9.786 -0.138 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -0.457 -8.210 -0.810 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.357 -11.408 0.438 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.694 -11.536 -0.661 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.330 -6.871 -1.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 5.275 -9.891 -2.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.287 -6.223 -3.252 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.234 -7.713 -3.447 1.00 0.00 H new ATOM 618 N TRP A 40 -1.593 -6.439 1.497 1.00 0.00 N ATOM 619 CA TRP A 40 -2.849 -5.725 1.639 1.00 0.00 C ATOM 620 C TRP A 40 -3.376 -5.319 0.273 1.00 0.00 C ATOM 621 O TRP A 40 -2.603 -5.000 -0.632 1.00 0.00 O ATOM 622 CB TRP A 40 -2.671 -4.487 2.514 1.00 0.00 C ATOM 623 CG TRP A 40 -2.621 -4.793 3.978 1.00 0.00 C ATOM 624 CD1 TRP A 40 -2.831 -6.002 4.572 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.352 -3.866 5.032 1.00 0.00 C ATOM 626 NE1 TRP A 40 -2.720 -5.881 5.936 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.424 -4.577 6.241 1.00 0.00 C ATOM 628 CE3 TRP A 40 -2.055 -2.503 5.070 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -2.214 -3.969 7.474 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -1.847 -1.900 6.294 1.00 0.00 C ATOM 631 CH2 TRP A 40 -1.928 -2.631 7.481 1.00 0.00 C ATOM 0 H TRP A 40 -0.789 -5.836 1.323 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.568 -6.389 2.119 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.752 -3.977 2.226 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.492 -3.796 2.323 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.052 -6.920 4.047 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.838 -6.637 6.611 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.989 -1.930 4.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.275 -4.533 8.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.618 -0.845 6.334 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.762 -2.130 8.423 1.00 0.00 H new ATOM 642 N ARG A 41 -4.689 -5.337 0.127 1.00 0.00 N ATOM 643 CA ARG A 41 -5.321 -4.980 -1.129 1.00 0.00 C ATOM 644 C ARG A 41 -5.765 -3.519 -1.088 1.00 0.00 C ATOM 645 O ARG A 41 -6.740 -3.169 -0.413 1.00 0.00 O ATOM 646 CB ARG A 41 -6.511 -5.908 -1.385 1.00 0.00 C ATOM 647 CG ARG A 41 -7.253 -5.642 -2.685 1.00 0.00 C ATOM 648 CD ARG A 41 -8.411 -6.614 -2.847 1.00 0.00 C ATOM 649 NE ARG A 41 -9.237 -6.317 -4.014 1.00 0.00 N ATOM 650 CZ ARG A 41 -10.556 -6.505 -4.054 1.00 0.00 C ATOM 651 NH1 ARG A 41 -11.204 -6.968 -2.989 1.00 0.00 N ATOM 652 NH2 ARG A 41 -11.224 -6.229 -5.166 1.00 0.00 N ATOM 0 H ARG A 41 -5.341 -5.597 0.868 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.609 -5.097 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.157 -6.939 -1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.212 -5.815 -0.556 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.626 -4.618 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.568 -5.739 -3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.020 -7.628 -2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.031 -6.586 -1.951 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.779 -5.945 -4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.692 -7.182 -2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.213 -7.109 -3.028 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.728 -5.875 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.233 -6.371 -5.203 1.00 0.00 H new ATOM 666 N GLY A 42 -5.042 -2.670 -1.799 1.00 0.00 N ATOM 667 CA GLY A 42 -5.322 -1.254 -1.754 1.00 0.00 C ATOM 668 C GLY A 42 -5.218 -0.586 -3.107 1.00 0.00 C ATOM 669 O GLY A 42 -4.846 -1.218 -4.098 1.00 0.00 O ATOM 0 H GLY A 42 -4.267 -2.937 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.325 -1.100 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.628 -0.774 -1.064 1.00 0.00 H new ATOM 673 N SER A 43 -5.546 0.695 -3.140 1.00 0.00 N ATOM 674 CA SER A 43 -5.532 1.468 -4.368 1.00 0.00 C ATOM 675 C SER A 43 -4.692 2.730 -4.188 1.00 0.00 C ATOM 676 O SER A 43 -4.719 3.348 -3.125 1.00 0.00 O ATOM 677 CB SER A 43 -6.969 1.826 -4.751 1.00 0.00 C ATOM 678 OG SER A 43 -7.625 2.498 -3.692 1.00 0.00 O ATOM 0 H SER A 43 -5.829 1.227 -2.317 1.00 0.00 H new ATOM 0 HA SER A 43 -5.085 0.877 -5.167 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.966 2.457 -5.640 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.518 0.919 -5.006 1.00 0.00 H new ATOM 0 HG SER A 43 -8.541 2.718 -3.962 1.00 0.00 H new ATOM 684 N TYR A 44 -3.946 3.109 -5.216 1.00 0.00 N ATOM 685 CA TYR A 44 -3.073 4.272 -5.136 1.00 0.00 C ATOM 686 C TYR A 44 -2.893 4.914 -6.510 1.00 0.00 C ATOM 687 O TYR A 44 -2.591 4.228 -7.490 1.00 0.00 O ATOM 688 CB TYR A 44 -1.717 3.867 -4.544 1.00 0.00 C ATOM 689 CG TYR A 44 -0.623 4.893 -4.721 1.00 0.00 C ATOM 690 CD1 TYR A 44 -0.622 6.076 -3.995 1.00 0.00 C ATOM 691 CD2 TYR A 44 0.417 4.667 -5.613 1.00 0.00 C ATOM 692 CE1 TYR A 44 0.384 7.007 -4.154 1.00 0.00 C ATOM 693 CE2 TYR A 44 1.428 5.589 -5.775 1.00 0.00 C ATOM 694 CZ TYR A 44 1.408 6.758 -5.044 1.00 0.00 C ATOM 695 OH TYR A 44 2.419 7.674 -5.201 1.00 0.00 O ATOM 0 H TYR A 44 -3.928 2.628 -6.115 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.536 5.011 -4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.844 3.670 -3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.399 2.932 -5.005 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.421 6.271 -3.295 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.434 3.754 -6.189 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.370 7.925 -3.585 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.232 5.397 -6.471 1.00 0.00 H new ATOM 0 HH TYR A 44 3.060 7.343 -5.865 1.00 0.00 H new ATOM 705 N ASN A 45 -3.085 6.231 -6.566 1.00 0.00 N ATOM 706 CA ASN A 45 -2.937 7.005 -7.800 1.00 0.00 C ATOM 707 C ASN A 45 -3.940 6.545 -8.856 1.00 0.00 C ATOM 708 O ASN A 45 -5.100 6.955 -8.844 1.00 0.00 O ATOM 709 CB ASN A 45 -1.496 6.918 -8.336 1.00 0.00 C ATOM 710 CG ASN A 45 -1.265 7.765 -9.577 1.00 0.00 C ATOM 711 OD1 ASN A 45 -1.909 8.794 -9.773 1.00 0.00 O ATOM 712 ND2 ASN A 45 -0.336 7.335 -10.419 1.00 0.00 N ATOM 0 H ASN A 45 -3.348 6.793 -5.757 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.147 8.049 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.805 7.235 -7.555 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.263 5.878 -8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.133 7.863 -11.267 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.176 6.476 -10.219 1.00 0.00 H new ATOM 719 N GLY A 46 -3.485 5.684 -9.747 1.00 0.00 N ATOM 720 CA GLY A 46 -4.344 5.120 -10.770 1.00 0.00 C ATOM 721 C GLY A 46 -4.099 3.638 -10.928 1.00 0.00 C ATOM 722 O GLY A 46 -4.456 3.035 -11.939 1.00 0.00 O ATOM 0 H GLY A 46 -2.519 5.359 -9.782 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.388 5.294 -10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.164 5.625 -11.719 1.00 0.00 H new ATOM 726 N GLN A 47 -3.477 3.060 -9.912 1.00 0.00 N ATOM 727 CA GLN A 47 -3.133 1.653 -9.909 1.00 0.00 C ATOM 728 C GLN A 47 -3.730 0.984 -8.677 1.00 0.00 C ATOM 729 O GLN A 47 -3.905 1.624 -7.636 1.00 0.00 O ATOM 730 CB GLN A 47 -1.607 1.490 -9.924 1.00 0.00 C ATOM 731 CG GLN A 47 -0.941 2.128 -11.134 1.00 0.00 C ATOM 732 CD GLN A 47 0.573 2.170 -11.020 1.00 0.00 C ATOM 733 OE1 GLN A 47 1.141 3.132 -10.505 1.00 0.00 O ATOM 734 NE2 GLN A 47 1.235 1.139 -11.517 1.00 0.00 N ATOM 0 H GLN A 47 -3.198 3.557 -9.066 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.541 1.176 -10.800 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.193 1.931 -9.017 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.363 0.428 -9.902 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.218 1.573 -12.030 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.320 3.143 -11.258 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.726 0.360 -11.936 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.254 1.122 -11.481 1.00 0.00 H new ATOM 743 N VAL A 48 -4.060 -0.287 -8.797 1.00 0.00 N ATOM 744 CA VAL A 48 -4.660 -1.018 -7.700 1.00 0.00 C ATOM 745 C VAL A 48 -4.015 -2.391 -7.584 1.00 0.00 C ATOM 746 O VAL A 48 -3.482 -2.916 -8.563 1.00 0.00 O ATOM 747 CB VAL A 48 -6.180 -1.177 -7.910 1.00 0.00 C ATOM 748 CG1 VAL A 48 -6.494 -2.379 -8.793 1.00 0.00 C ATOM 749 CG2 VAL A 48 -6.906 -1.250 -6.576 1.00 0.00 C ATOM 0 H VAL A 48 -3.922 -0.835 -9.646 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.495 -0.455 -6.781 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.544 -0.293 -8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.573 -2.464 -8.922 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.021 -2.249 -9.767 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.112 -3.285 -8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.976 -1.362 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.539 -2.105 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.724 -0.335 -6.012 1.00 0.00 H new ATOM 759 N GLY A 49 -4.053 -2.967 -6.400 1.00 0.00 N ATOM 760 CA GLY A 49 -3.538 -4.302 -6.237 1.00 0.00 C ATOM 761 C GLY A 49 -3.039 -4.571 -4.836 1.00 0.00 C ATOM 762 O GLY A 49 -3.672 -4.166 -3.859 1.00 0.00 O ATOM 0 H GLY A 49 -4.428 -2.538 -5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.320 -5.021 -6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.724 -4.461 -6.944 1.00 0.00 H new ATOM 766 N TRP A 50 -1.905 -5.242 -4.735 1.00 0.00 N ATOM 767 CA TRP A 50 -1.392 -5.682 -3.447 1.00 0.00 C ATOM 768 C TRP A 50 -0.123 -4.936 -3.070 1.00 0.00 C ATOM 769 O TRP A 50 0.759 -4.728 -3.903 1.00 0.00 O ATOM 770 CB TRP A 50 -1.105 -7.183 -3.475 1.00 0.00 C ATOM 771 CG TRP A 50 -2.293 -8.009 -3.848 1.00 0.00 C ATOM 772 CD1 TRP A 50 -2.691 -8.350 -5.111 1.00 0.00 C ATOM 773 CD2 TRP A 50 -3.242 -8.598 -2.951 1.00 0.00 C ATOM 774 NE1 TRP A 50 -3.835 -9.110 -5.052 1.00 0.00 N ATOM 775 CE2 TRP A 50 -4.192 -9.278 -3.737 1.00 0.00 C ATOM 776 CE3 TRP A 50 -3.382 -8.617 -1.558 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -5.263 -9.967 -3.175 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -4.446 -9.301 -1.003 1.00 0.00 C ATOM 779 CH2 TRP A 50 -5.375 -9.967 -1.809 1.00 0.00 C ATOM 0 H TRP A 50 -1.320 -5.495 -5.531 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.156 -5.467 -2.700 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.300 -7.378 -4.183 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.749 -7.495 -2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -2.182 -8.065 -6.020 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.337 -9.488 -5.855 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.670 -8.105 -0.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -5.981 -10.484 -3.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.562 -9.322 0.071 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.197 -10.492 -1.346 1.00 0.00 H new ATOM 790 N PHE A 51 -0.041 -4.540 -1.812 1.00 0.00 N ATOM 791 CA PHE A 51 1.159 -3.922 -1.279 1.00 0.00 C ATOM 792 C PHE A 51 1.474 -4.519 0.090 1.00 0.00 C ATOM 793 O PHE A 51 0.568 -4.935 0.812 1.00 0.00 O ATOM 794 CB PHE A 51 0.994 -2.395 -1.187 1.00 0.00 C ATOM 795 CG PHE A 51 -0.046 -1.942 -0.202 1.00 0.00 C ATOM 796 CD1 PHE A 51 -1.367 -1.777 -0.583 1.00 0.00 C ATOM 797 CD2 PHE A 51 0.300 -1.686 1.111 1.00 0.00 C ATOM 798 CE1 PHE A 51 -2.318 -1.370 0.329 1.00 0.00 C ATOM 799 CE2 PHE A 51 -0.644 -1.277 2.023 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.955 -1.119 1.635 1.00 0.00 C ATOM 0 H PHE A 51 -0.799 -4.637 -1.136 1.00 0.00 H new ATOM 0 HA PHE A 51 1.992 -4.123 -1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.953 -1.954 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.735 -2.010 -2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.656 -1.969 -1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.326 -1.809 1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.346 -1.248 0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.356 -1.079 3.045 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.697 -0.799 2.352 1.00 0.00 H new ATOM 810 N PRO A 52 2.760 -4.598 0.461 1.00 0.00 N ATOM 811 CA PRO A 52 3.174 -5.162 1.747 1.00 0.00 C ATOM 812 C PRO A 52 2.761 -4.277 2.925 1.00 0.00 C ATOM 813 O PRO A 52 2.975 -3.063 2.913 1.00 0.00 O ATOM 814 CB PRO A 52 4.700 -5.257 1.639 1.00 0.00 C ATOM 815 CG PRO A 52 5.022 -5.011 0.201 1.00 0.00 C ATOM 816 CD PRO A 52 3.909 -4.160 -0.336 1.00 0.00 C ATOM 0 HA PRO A 52 2.701 -6.125 1.938 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.184 -4.520 2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.054 -6.238 1.957 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.983 -4.507 0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.094 -5.950 -0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.112 -3.097 -0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.750 -4.325 -1.402 1.00 0.00 H new ATOM 824 N SER A 53 2.187 -4.908 3.940 1.00 0.00 N ATOM 825 CA SER A 53 1.621 -4.213 5.092 1.00 0.00 C ATOM 826 C SER A 53 2.645 -3.345 5.831 1.00 0.00 C ATOM 827 O SER A 53 2.318 -2.259 6.309 1.00 0.00 O ATOM 828 CB SER A 53 1.041 -5.248 6.048 1.00 0.00 C ATOM 829 OG SER A 53 1.949 -6.324 6.221 1.00 0.00 O ATOM 0 H SER A 53 2.100 -5.923 3.989 1.00 0.00 H new ATOM 0 HA SER A 53 0.847 -3.538 4.725 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.829 -4.784 7.011 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.094 -5.622 5.659 1.00 0.00 H new ATOM 0 HG SER A 53 1.564 -6.981 6.839 1.00 0.00 H new ATOM 835 N ASN A 54 3.883 -3.821 5.919 1.00 0.00 N ATOM 836 CA ASN A 54 4.920 -3.139 6.699 1.00 0.00 C ATOM 837 C ASN A 54 5.310 -1.803 6.069 1.00 0.00 C ATOM 838 O ASN A 54 5.806 -0.905 6.747 1.00 0.00 O ATOM 839 CB ASN A 54 6.158 -4.040 6.827 1.00 0.00 C ATOM 840 CG ASN A 54 7.303 -3.383 7.579 1.00 0.00 C ATOM 841 OD1 ASN A 54 8.189 -2.770 6.981 1.00 0.00 O ATOM 842 ND2 ASN A 54 7.284 -3.503 8.896 1.00 0.00 N ATOM 0 H ASN A 54 4.197 -4.677 5.461 1.00 0.00 H new ATOM 0 HA ASN A 54 4.513 -2.935 7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.877 -4.961 7.338 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.500 -4.320 5.831 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.022 -3.079 9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.531 -4.020 9.350 1.00 0.00 H new ATOM 849 N TYR A 55 5.044 -1.662 4.780 1.00 0.00 N ATOM 850 CA TYR A 55 5.522 -0.517 4.015 1.00 0.00 C ATOM 851 C TYR A 55 4.509 0.636 4.025 1.00 0.00 C ATOM 852 O TYR A 55 4.655 1.605 3.277 1.00 0.00 O ATOM 853 CB TYR A 55 5.835 -0.955 2.582 1.00 0.00 C ATOM 854 CG TYR A 55 6.968 -1.963 2.500 1.00 0.00 C ATOM 855 CD1 TYR A 55 6.828 -3.244 3.021 1.00 0.00 C ATOM 856 CD2 TYR A 55 8.176 -1.633 1.904 1.00 0.00 C ATOM 857 CE1 TYR A 55 7.856 -4.164 2.953 1.00 0.00 C ATOM 858 CE2 TYR A 55 9.210 -2.550 1.829 1.00 0.00 C ATOM 859 CZ TYR A 55 9.044 -3.814 2.355 1.00 0.00 C ATOM 860 OH TYR A 55 10.074 -4.729 2.289 1.00 0.00 O ATOM 0 H TYR A 55 4.496 -2.330 4.237 1.00 0.00 H new ATOM 0 HA TYR A 55 6.432 -0.145 4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.939 -1.388 2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.094 -0.078 1.989 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.896 -3.526 3.489 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.312 -0.644 1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.728 -5.153 3.367 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.144 -2.277 1.360 1.00 0.00 H new ATOM 0 HH TYR A 55 10.842 -4.324 1.835 1.00 0.00 H new ATOM 870 N VAL A 56 3.491 0.542 4.884 1.00 0.00 N ATOM 871 CA VAL A 56 2.507 1.619 5.022 1.00 0.00 C ATOM 872 C VAL A 56 2.218 1.954 6.483 1.00 0.00 C ATOM 873 O VAL A 56 2.634 1.240 7.402 1.00 0.00 O ATOM 874 CB VAL A 56 1.168 1.293 4.342 1.00 0.00 C ATOM 875 CG1 VAL A 56 1.336 1.196 2.835 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.566 0.020 4.916 1.00 0.00 C ATOM 0 H VAL A 56 3.327 -0.262 5.490 1.00 0.00 H new ATOM 0 HA VAL A 56 2.965 2.475 4.527 1.00 0.00 H new ATOM 0 HB VAL A 56 0.474 2.109 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.375 0.964 2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.703 2.146 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.050 0.407 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.381 -0.191 4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.252 -0.811 4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.395 0.148 5.985 1.00 0.00 H new ATOM 886 N THR A 57 1.493 3.045 6.669 1.00 0.00 N ATOM 887 CA THR A 57 1.081 3.522 7.976 1.00 0.00 C ATOM 888 C THR A 57 -0.285 4.201 7.867 1.00 0.00 C ATOM 889 O THR A 57 -0.380 5.325 7.381 1.00 0.00 O ATOM 890 CB THR A 57 2.123 4.527 8.534 1.00 0.00 C ATOM 891 OG1 THR A 57 3.288 3.834 8.996 1.00 0.00 O ATOM 892 CG2 THR A 57 1.553 5.381 9.657 1.00 0.00 C ATOM 0 H THR A 57 1.169 3.633 5.901 1.00 0.00 H new ATOM 0 HA THR A 57 1.012 2.674 8.657 1.00 0.00 H new ATOM 0 HB THR A 57 2.395 5.193 7.715 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.357 3.923 9.970 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.319 6.069 10.016 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.700 5.949 9.285 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.231 4.738 10.476 1.00 0.00 H new ATOM 900 N GLU A 58 -1.347 3.510 8.276 1.00 0.00 N ATOM 901 CA GLU A 58 -2.681 4.108 8.278 1.00 0.00 C ATOM 902 C GLU A 58 -2.670 5.360 9.151 1.00 0.00 C ATOM 903 O GLU A 58 -2.705 6.486 8.655 1.00 0.00 O ATOM 904 CB GLU A 58 -3.736 3.119 8.782 1.00 0.00 C ATOM 905 CG GLU A 58 -3.791 1.814 8.000 1.00 0.00 C ATOM 906 CD GLU A 58 -2.912 0.737 8.599 1.00 0.00 C ATOM 907 OE1 GLU A 58 -1.676 0.848 8.498 1.00 0.00 O ATOM 908 OE2 GLU A 58 -3.456 -0.218 9.201 1.00 0.00 O ATOM 0 H GLU A 58 -1.312 2.546 8.607 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.944 4.375 7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.536 2.894 9.830 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.715 3.596 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.821 1.459 7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.483 1.998 6.971 1.00 0.00 H new