USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 ASN : amide:sc= -0.0229 K(o=-0.023,f=-0.88) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.198 K(o=0.2,f=-0.49) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 43:sc= 0.677 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 162:sc=-0.00761 (180deg=-0.372) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 75:sc= 0.928 USER MOD Single : A 40 GLN : amide:sc= -0.539 X(o=-0.54,f=-0.95) USER MOD Single : A 48 CYS SG : rot -160:sc= -0.0713 USER MOD Single : A 49 SER OG : rot 20:sc= 0.283 USER MOD Single : A 51 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.0023) USER MOD Single : A 54 GLN : amide:sc= -0.0597 X(o=-0.06,f=-0.13) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0682) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 8.546 2.673 -20.599 1.00 25.00 N ATOM 81 CA LEU A 6 9.189 2.438 -21.902 1.00 25.00 C ATOM 82 C LEU A 6 8.264 2.633 -23.091 1.00 25.00 C ATOM 83 O LEU A 6 8.704 3.040 -24.155 1.00 25.00 O ATOM 84 CB LEU A 6 9.782 1.025 -21.970 1.00 25.00 C ATOM 85 CG LEU A 6 10.860 0.727 -20.919 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.175 -0.770 -20.938 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.153 1.530 -21.189 1.00 25.00 C ATOM 0 HA LEU A 6 9.974 3.192 -21.971 1.00 25.00 H new ATOM 0 HB2 LEU A 6 8.974 0.302 -21.857 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.209 0.873 -22.961 1.00 25.00 H new ATOM 0 HG LEU A 6 10.479 1.024 -19.942 1.00 25.00 H new ATOM 0 HD11 LEU A 6 11.940 -0.990 -20.194 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.272 -1.335 -20.708 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.538 -1.053 -21.926 1.00 25.00 H new ATOM 0 HD21 LEU A 6 12.894 1.294 -20.425 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.547 1.266 -22.171 1.00 25.00 H new ATOM 0 HD23 LEU A 6 11.931 2.597 -21.162 1.00 25.00 H new ATOM 99 N ASN A 7 6.995 2.276 -22.907 1.00 25.00 N ATOM 100 CA ASN A 7 5.962 2.337 -23.958 1.00 25.00 C ATOM 101 C ASN A 7 6.347 1.536 -25.216 1.00 25.00 C ATOM 102 O ASN A 7 6.031 1.904 -26.339 1.00 25.00 O ATOM 103 CB ASN A 7 5.648 3.800 -24.333 1.00 25.00 C ATOM 104 CG ASN A 7 5.223 4.636 -23.141 1.00 25.00 C ATOM 105 OD1 ASN A 7 4.972 4.154 -22.046 1.00 25.00 O ATOM 106 ND2 ASN A 7 5.137 5.922 -23.376 1.00 25.00 N ATOM 0 H ASN A 7 6.643 1.930 -22.014 1.00 25.00 H new ATOM 0 HA ASN A 7 5.067 1.873 -23.542 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.529 4.250 -24.790 1.00 25.00 H new ATOM 0 HB3 ASN A 7 4.857 3.816 -25.082 1.00 25.00 H new ATOM 0 HD21 ASN A 7 4.852 6.559 -22.632 1.00 25.00 H new ATOM 0 HD22 ASN A 7 5.355 6.287 -24.303 1.00 25.00 H new ATOM 113 N VAL A 8 7.050 0.429 -24.997 1.00 25.00 N ATOM 114 CA VAL A 8 7.477 -0.468 -26.059 1.00 25.00 C ATOM 115 C VAL A 8 6.520 -1.627 -25.969 1.00 25.00 C ATOM 116 O VAL A 8 6.241 -2.080 -24.879 1.00 25.00 O ATOM 117 CB VAL A 8 8.913 -0.985 -25.864 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.314 -1.983 -26.969 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.927 0.196 -25.875 1.00 25.00 C ATOM 0 H VAL A 8 7.341 0.129 -24.067 1.00 25.00 H new ATOM 0 HA VAL A 8 7.473 0.045 -27.021 1.00 25.00 H new ATOM 0 HB VAL A 8 8.938 -1.492 -24.900 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.334 -2.326 -26.797 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.637 -2.837 -26.951 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.255 -1.493 -27.941 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.937 -0.190 -25.736 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.867 0.718 -26.830 1.00 25.00 H new ATOM 0 HG23 VAL A 8 9.688 0.888 -25.067 1.00 25.00 H new ATOM 129 N LEU A 9 5.991 -2.114 -27.087 1.00 25.00 N ATOM 130 CA LEU A 9 5.052 -3.241 -27.063 1.00 25.00 C ATOM 131 C LEU A 9 5.511 -4.315 -28.043 1.00 25.00 C ATOM 132 O LEU A 9 6.377 -4.059 -28.886 1.00 25.00 O ATOM 133 CB LEU A 9 3.619 -2.777 -27.379 1.00 25.00 C ATOM 134 CG LEU A 9 3.454 -1.858 -28.604 1.00 25.00 C ATOM 135 CD1 LEU A 9 2.168 -2.223 -29.330 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.397 -0.374 -28.227 1.00 25.00 C ATOM 0 H LEU A 9 6.192 -1.751 -28.019 1.00 25.00 H new ATOM 0 HA LEU A 9 5.040 -3.665 -26.059 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.998 -3.661 -27.528 1.00 25.00 H new ATOM 0 HB3 LEU A 9 3.227 -2.256 -26.505 1.00 25.00 H new ATOM 0 HG LEU A 9 4.327 -2.007 -29.239 1.00 25.00 H new ATOM 0 HD11 LEU A 9 2.044 -1.576 -30.199 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.216 -3.262 -29.655 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.321 -2.092 -28.657 1.00 25.00 H new ATOM 0 HD21 LEU A 9 3.280 0.226 -29.129 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.550 -0.200 -27.563 1.00 25.00 H new ATOM 0 HD23 LEU A 9 4.320 -0.092 -27.720 1.00 25.00 H new ATOM 148 N ALA A 10 5.014 -5.541 -27.887 1.00 25.00 N ATOM 149 CA ALA A 10 5.481 -6.670 -28.683 1.00 25.00 C ATOM 150 C ALA A 10 4.415 -7.776 -28.834 1.00 25.00 C ATOM 151 O ALA A 10 3.563 -7.969 -27.969 1.00 25.00 O ATOM 152 CB ALA A 10 6.731 -7.258 -28.048 1.00 25.00 C ATOM 0 H ALA A 10 4.285 -5.776 -27.213 1.00 25.00 H new ATOM 0 HA ALA A 10 5.699 -6.291 -29.681 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.079 -8.102 -28.644 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.510 -6.497 -28.006 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.501 -7.597 -27.038 1.00 25.00 H new ATOM 158 N LYS A 11 4.532 -8.532 -29.929 1.00 25.00 N ATOM 159 CA LYS A 11 3.653 -9.679 -30.203 1.00 25.00 C ATOM 160 C LYS A 11 4.271 -10.953 -29.643 1.00 25.00 C ATOM 161 O LYS A 11 5.449 -11.229 -29.902 1.00 25.00 O ATOM 162 CB LYS A 11 3.499 -9.876 -31.722 1.00 25.00 C ATOM 163 CG LYS A 11 2.523 -10.956 -32.119 1.00 25.00 C ATOM 164 CD LYS A 11 2.830 -11.563 -33.475 1.00 25.00 C ATOM 165 CE LYS A 11 2.678 -10.577 -34.628 1.00 25.00 C ATOM 166 NZ LYS A 11 2.913 -11.213 -35.965 1.00 25.00 N ATOM 0 H LYS A 11 5.235 -8.370 -30.650 1.00 25.00 H new ATOM 0 HA LYS A 11 2.686 -9.481 -29.740 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.179 -8.934 -32.167 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.475 -10.113 -32.145 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.533 -11.742 -31.364 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.515 -10.540 -32.133 1.00 25.00 H new ATOM 0 HD2 LYS A 11 3.849 -11.950 -33.469 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.168 -12.412 -33.643 1.00 25.00 H new ATOM 0 HE2 LYS A 11 1.676 -10.148 -34.605 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.380 -9.754 -34.493 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 2.798 -10.500 -36.714 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 3.878 -11.600 -36.001 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.227 -11.981 -36.109 1.00 25.00 H new ATOM 180 N ALA A 12 3.478 -11.769 -28.965 1.00 25.00 N ATOM 181 CA ALA A 12 3.946 -13.073 -28.512 1.00 25.00 C ATOM 182 C ALA A 12 4.096 -13.980 -29.732 1.00 25.00 C ATOM 183 O ALA A 12 3.152 -14.137 -30.482 1.00 25.00 O ATOM 184 CB ALA A 12 2.982 -13.662 -27.540 1.00 25.00 C ATOM 0 H ALA A 12 2.512 -11.554 -28.717 1.00 25.00 H new ATOM 0 HA ALA A 12 4.906 -12.969 -28.007 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.346 -14.635 -27.211 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.884 -13.001 -26.679 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.010 -13.781 -28.018 1.00 25.00 H new ATOM 190 N LEU A 13 5.267 -14.590 -29.883 1.00 25.00 N ATOM 191 CA LEU A 13 5.511 -15.471 -31.002 1.00 25.00 C ATOM 192 C LEU A 13 5.045 -16.893 -30.650 1.00 25.00 C ATOM 193 O LEU A 13 4.678 -17.689 -31.512 1.00 25.00 O ATOM 194 CB LEU A 13 7.007 -15.486 -31.303 1.00 25.00 C ATOM 195 CG LEU A 13 7.613 -14.198 -31.879 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.129 -14.291 -31.814 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.180 -14.018 -33.332 1.00 25.00 C ATOM 0 H LEU A 13 6.055 -14.486 -29.243 1.00 25.00 H new ATOM 0 HA LEU A 13 4.961 -15.119 -31.875 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.536 -15.727 -30.381 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.204 -16.297 -32.005 1.00 25.00 H new ATOM 0 HG LEU A 13 7.265 -13.345 -31.297 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.567 -13.380 -32.221 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.442 -14.412 -30.777 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.466 -15.148 -32.397 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.615 -13.102 -33.731 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.522 -14.869 -33.922 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.093 -13.955 -33.383 1.00 25.00 H new ATOM 209 N TYR A 14 5.078 -17.186 -29.367 1.00 25.00 N ATOM 210 CA TYR A 14 4.751 -18.497 -28.844 1.00 25.00 C ATOM 211 C TYR A 14 3.649 -18.352 -27.790 1.00 25.00 C ATOM 212 O TYR A 14 3.411 -17.258 -27.294 1.00 25.00 O ATOM 213 CB TYR A 14 5.995 -19.154 -28.226 1.00 25.00 C ATOM 214 CG TYR A 14 7.163 -19.257 -29.179 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.095 -18.212 -29.293 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.353 -20.412 -29.961 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.188 -18.299 -30.165 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.423 -20.509 -30.846 1.00 25.00 C ATOM 219 CZ TYR A 14 9.329 -19.441 -30.947 1.00 25.00 C ATOM 220 OH TYR A 14 10.378 -19.534 -31.814 1.00 25.00 O ATOM 0 H TYR A 14 5.336 -16.511 -28.647 1.00 25.00 H new ATOM 0 HA TYR A 14 4.399 -19.134 -29.656 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.301 -18.581 -27.351 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.732 -20.153 -27.877 1.00 25.00 H new ATOM 0 HD1 TYR A 14 7.966 -17.322 -28.695 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.659 -21.235 -29.873 1.00 25.00 H new ATOM 0 HE1 TYR A 14 9.907 -17.496 -30.229 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.555 -21.396 -31.448 1.00 25.00 H new ATOM 0 HH TYR A 14 10.337 -20.392 -32.286 1.00 25.00 H new ATOM 230 N ASP A 15 2.941 -19.431 -27.496 1.00 25.00 N ATOM 231 CA ASP A 15 1.862 -19.420 -26.524 1.00 25.00 C ATOM 232 C ASP A 15 2.446 -19.968 -25.215 1.00 25.00 C ATOM 233 O ASP A 15 3.500 -20.612 -25.237 1.00 25.00 O ATOM 234 CB ASP A 15 0.678 -20.279 -27.004 1.00 25.00 C ATOM 235 CG ASP A 15 1.076 -21.699 -27.354 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.844 -21.882 -28.340 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.492 -22.632 -26.771 1.00 25.00 O ATOM 0 H ASP A 15 3.100 -20.342 -27.927 1.00 25.00 H new ATOM 0 HA ASP A 15 1.474 -18.411 -26.384 1.00 25.00 H new ATOM 0 HB2 ASP A 15 -0.084 -20.303 -26.225 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.227 -19.809 -27.878 1.00 25.00 H new ATOM 242 N ASN A 16 1.822 -19.659 -24.082 1.00 25.00 N ATOM 243 CA ASN A 16 2.388 -20.036 -22.790 1.00 25.00 C ATOM 244 C ASN A 16 1.329 -20.446 -21.784 1.00 25.00 C ATOM 245 O ASN A 16 0.166 -20.063 -21.893 1.00 25.00 O ATOM 246 CB ASN A 16 3.202 -18.856 -22.238 1.00 25.00 C ATOM 247 CG ASN A 16 4.154 -19.294 -21.158 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.869 -20.278 -21.332 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.136 -18.638 -20.037 1.00 25.00 N ATOM 0 H ASN A 16 0.936 -19.156 -24.031 1.00 25.00 H new ATOM 0 HA ASN A 16 3.027 -20.905 -22.948 1.00 25.00 H new ATOM 0 HB2 ASN A 16 3.761 -18.389 -23.049 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.524 -18.100 -21.841 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.729 -18.935 -19.263 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.528 -17.826 -19.931 1.00 25.00 H new ATOM 256 N VAL A 17 1.759 -21.174 -20.774 1.00 25.00 N ATOM 257 CA VAL A 17 0.927 -21.529 -19.631 1.00 25.00 C ATOM 258 C VAL A 17 1.761 -21.039 -18.449 1.00 25.00 C ATOM 259 O VAL A 17 2.914 -21.452 -18.277 1.00 25.00 O ATOM 260 CB VAL A 17 0.679 -23.056 -19.549 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.095 -23.389 -18.283 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.099 -23.533 -20.788 1.00 25.00 C ATOM 0 H VAL A 17 2.708 -21.543 -20.718 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.070 -21.090 -19.675 1.00 25.00 H new ATOM 0 HB VAL A 17 1.640 -23.570 -19.520 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.265 -24.464 -18.233 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.478 -23.071 -17.412 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.053 -22.870 -18.295 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.268 -24.608 -20.720 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.058 -23.017 -20.836 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.477 -23.312 -21.687 1.00 25.00 H new ATOM 272 N ALA A 18 1.206 -20.123 -17.674 1.00 25.00 N ATOM 273 CA ALA A 18 1.951 -19.556 -16.549 1.00 25.00 C ATOM 274 C ALA A 18 1.989 -20.562 -15.401 1.00 25.00 C ATOM 275 O ALA A 18 0.954 -20.876 -14.830 1.00 25.00 O ATOM 276 CB ALA A 18 1.302 -18.265 -16.111 1.00 25.00 C ATOM 0 H ALA A 18 0.261 -19.758 -17.794 1.00 25.00 H new ATOM 0 HA ALA A 18 2.975 -19.342 -16.855 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.858 -17.844 -15.273 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.304 -17.557 -16.940 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.275 -18.460 -15.803 1.00 25.00 H new ATOM 282 N GLU A 19 3.169 -21.064 -15.104 1.00 25.00 N ATOM 283 CA GLU A 19 3.311 -22.083 -14.068 1.00 25.00 C ATOM 284 C GLU A 19 3.362 -21.409 -12.707 1.00 25.00 C ATOM 285 O GLU A 19 3.108 -22.016 -11.673 1.00 25.00 O ATOM 286 CB GLU A 19 4.561 -22.971 -14.308 1.00 25.00 C ATOM 287 CG GLU A 19 5.917 -22.292 -14.099 1.00 25.00 C ATOM 288 CD GLU A 19 7.056 -23.304 -13.966 1.00 25.00 C ATOM 289 OE1 GLU A 19 7.201 -24.149 -14.853 1.00 25.00 O ATOM 290 OE2 GLU A 19 7.779 -23.248 -12.943 1.00 25.00 O ATOM 0 H GLU A 19 4.041 -20.791 -15.557 1.00 25.00 H new ATOM 0 HA GLU A 19 2.447 -22.746 -14.105 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.503 -23.833 -13.644 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.521 -23.352 -15.329 1.00 25.00 H new ATOM 0 HG2 GLU A 19 6.121 -21.626 -14.938 1.00 25.00 H new ATOM 0 HG3 GLU A 19 5.877 -21.673 -13.203 1.00 25.00 H new ATOM 297 N SER A 20 3.593 -20.111 -12.719 1.00 25.00 N ATOM 298 CA SER A 20 3.670 -19.311 -11.486 1.00 25.00 C ATOM 299 C SER A 20 2.639 -18.201 -11.543 1.00 25.00 C ATOM 300 O SER A 20 2.262 -17.752 -12.620 1.00 25.00 O ATOM 301 CB SER A 20 5.058 -18.748 -11.333 1.00 25.00 C ATOM 302 OG SER A 20 6.014 -19.783 -11.145 1.00 25.00 O ATOM 0 H SER A 20 3.734 -19.572 -13.573 1.00 25.00 H new ATOM 0 HA SER A 20 3.458 -19.940 -10.621 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.317 -18.166 -12.218 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.085 -18.066 -10.484 1.00 25.00 H new ATOM 0 HG SER A 20 6.907 -19.390 -11.050 1.00 25.00 H new ATOM 308 N PRO A 21 2.199 -17.669 -10.379 1.00 25.00 N ATOM 309 CA PRO A 21 1.265 -16.515 -10.460 1.00 25.00 C ATOM 310 C PRO A 21 1.971 -15.203 -10.867 1.00 25.00 C ATOM 311 O PRO A 21 1.336 -14.219 -11.213 1.00 25.00 O ATOM 312 CB PRO A 21 0.735 -16.419 -9.035 1.00 25.00 C ATOM 313 CG PRO A 21 1.885 -16.885 -8.202 1.00 25.00 C ATOM 314 CD PRO A 21 2.471 -18.051 -8.980 1.00 25.00 C ATOM 0 HA PRO A 21 0.495 -16.657 -11.218 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.444 -15.399 -8.783 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -0.145 -17.046 -8.891 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.620 -16.092 -8.061 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.557 -17.195 -7.210 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.538 -18.169 -8.792 1.00 25.00 H new ATOM 0 HD3 PRO A 21 1.994 -18.995 -8.717 1.00 25.00 H new ATOM 322 N ASP A 22 3.296 -15.199 -10.803 1.00 25.00 N ATOM 323 CA ASP A 22 4.109 -14.043 -11.177 1.00 25.00 C ATOM 324 C ASP A 22 4.373 -14.024 -12.684 1.00 25.00 C ATOM 325 O ASP A 22 4.754 -13.012 -13.285 1.00 25.00 O ATOM 326 CB ASP A 22 5.444 -14.150 -10.423 1.00 25.00 C ATOM 327 CG ASP A 22 6.335 -12.893 -10.588 1.00 25.00 C ATOM 328 OD1 ASP A 22 7.564 -13.054 -10.739 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.806 -11.751 -10.530 1.00 25.00 O ATOM 0 H ASP A 22 3.843 -16.001 -10.489 1.00 25.00 H new ATOM 0 HA ASP A 22 3.583 -13.124 -10.918 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.245 -14.311 -9.364 1.00 25.00 H new ATOM 0 HB3 ASP A 22 5.988 -15.024 -10.781 1.00 25.00 H new ATOM 334 N GLU A 23 4.148 -15.161 -13.309 1.00 25.00 N ATOM 335 CA GLU A 23 4.356 -15.313 -14.730 1.00 25.00 C ATOM 336 C GLU A 23 3.056 -15.000 -15.439 1.00 25.00 C ATOM 337 O GLU A 23 1.983 -15.366 -14.961 1.00 25.00 O ATOM 338 CB GLU A 23 4.785 -16.753 -15.027 1.00 25.00 C ATOM 339 CG GLU A 23 5.255 -16.944 -16.454 1.00 25.00 C ATOM 340 CD GLU A 23 5.645 -18.365 -16.750 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.326 -19.260 -15.926 1.00 25.00 O ATOM 342 OE2 GLU A 23 6.181 -18.616 -17.864 1.00 25.00 O ATOM 0 H GLU A 23 3.815 -16.005 -12.844 1.00 25.00 H new ATOM 0 HA GLU A 23 5.136 -14.635 -15.077 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.586 -17.036 -14.345 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.948 -17.424 -14.832 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.462 -16.639 -17.137 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.107 -16.291 -16.642 1.00 25.00 H new ATOM 349 N LEU A 24 3.123 -14.323 -16.581 1.00 25.00 N ATOM 350 CA LEU A 24 1.927 -13.972 -17.310 1.00 25.00 C ATOM 351 C LEU A 24 1.460 -15.082 -18.231 1.00 25.00 C ATOM 352 O LEU A 24 2.235 -15.668 -18.976 1.00 25.00 O ATOM 353 CB LEU A 24 2.126 -12.697 -18.135 1.00 25.00 C ATOM 354 CG LEU A 24 1.293 -11.510 -17.649 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.778 -10.250 -18.416 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.244 -11.736 -17.841 1.00 25.00 C ATOM 0 H LEU A 24 3.993 -14.011 -17.014 1.00 25.00 H new ATOM 0 HA LEU A 24 1.160 -13.804 -16.554 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.181 -12.422 -18.113 1.00 25.00 H new ATOM 0 HB3 LEU A 24 1.873 -12.905 -19.175 1.00 25.00 H new ATOM 0 HG LEU A 24 1.436 -11.385 -16.576 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.203 -9.383 -18.092 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.835 -10.082 -18.209 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.638 -10.399 -19.487 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.788 -10.863 -17.480 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.460 -11.886 -18.899 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.555 -12.616 -17.278 1.00 25.00 H new ATOM 368 N SER A 25 0.159 -15.345 -18.189 1.00 25.00 N ATOM 369 CA SER A 25 -0.456 -16.351 -19.065 1.00 25.00 C ATOM 370 C SER A 25 -0.831 -15.698 -20.386 1.00 25.00 C ATOM 371 O SER A 25 -1.821 -14.950 -20.444 1.00 25.00 O ATOM 372 CB SER A 25 -1.721 -16.926 -18.409 1.00 25.00 C ATOM 373 OG SER A 25 -2.571 -15.881 -17.991 1.00 25.00 O ATOM 0 H SER A 25 -0.495 -14.879 -17.560 1.00 25.00 H new ATOM 0 HA SER A 25 0.255 -17.159 -19.234 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.245 -17.570 -19.115 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.447 -17.545 -17.555 1.00 25.00 H new ATOM 0 HG SER A 25 -2.610 -15.193 -18.688 1.00 25.00 H new ATOM 379 N PHE A 26 -0.095 -15.962 -21.460 1.00 25.00 N ATOM 380 CA PHE A 26 -0.346 -15.345 -22.765 1.00 25.00 C ATOM 381 C PHE A 26 -0.443 -16.368 -23.886 1.00 25.00 C ATOM 382 O PHE A 26 -0.071 -17.520 -23.706 1.00 25.00 O ATOM 383 CB PHE A 26 0.759 -14.318 -23.059 1.00 25.00 C ATOM 384 CG PHE A 26 2.139 -14.907 -23.070 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.671 -15.466 -24.255 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.942 -14.856 -21.912 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.005 -15.991 -24.259 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.264 -15.390 -21.915 1.00 25.00 C ATOM 389 CZ PHE A 26 4.787 -15.959 -23.086 1.00 25.00 C ATOM 0 H PHE A 26 0.693 -16.609 -21.454 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.314 -14.846 -22.721 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.564 -13.853 -24.025 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.717 -13.527 -22.310 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.074 -15.497 -25.154 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.551 -14.407 -21.011 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.413 -16.413 -25.165 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.862 -15.357 -21.017 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.785 -16.371 -23.089 1.00 25.00 H new ATOM 399 N ARG A 27 -0.964 -15.956 -25.041 1.00 25.00 N ATOM 400 CA ARG A 27 -1.093 -16.847 -26.199 1.00 25.00 C ATOM 401 C ARG A 27 -0.362 -16.268 -27.401 1.00 25.00 C ATOM 402 O ARG A 27 -0.155 -15.062 -27.481 1.00 25.00 O ATOM 403 CB ARG A 27 -2.562 -17.098 -26.541 1.00 25.00 C ATOM 404 CG ARG A 27 -3.360 -17.771 -25.403 1.00 25.00 C ATOM 405 CD ARG A 27 -4.291 -18.857 -25.978 1.00 25.00 C ATOM 406 NE ARG A 27 -5.534 -18.962 -25.207 1.00 25.00 N ATOM 407 CZ ARG A 27 -6.694 -18.397 -25.541 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.832 -17.661 -26.618 1.00 25.00 N ATOM 409 NH2 ARG A 27 -7.726 -18.571 -24.754 1.00 25.00 N ATOM 0 H ARG A 27 -1.305 -15.008 -25.202 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.638 -17.803 -25.939 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -3.035 -16.148 -26.791 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.616 -17.725 -27.431 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.675 -18.214 -24.681 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.947 -17.024 -24.869 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.525 -18.625 -27.017 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -3.777 -19.818 -25.974 1.00 25.00 H new ATOM 0 HE ARG A 27 -5.509 -19.511 -24.347 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -6.034 -17.504 -27.234 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -7.737 -17.246 -26.839 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -7.632 -19.129 -23.906 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -8.624 -18.148 -24.989 1.00 25.00 H new ATOM 423 N LYS A 28 0.023 -17.114 -28.346 1.00 25.00 N ATOM 424 CA LYS A 28 0.704 -16.659 -29.559 1.00 25.00 C ATOM 425 C LYS A 28 -0.223 -15.738 -30.328 1.00 25.00 C ATOM 426 O LYS A 28 -1.399 -16.041 -30.523 1.00 25.00 O ATOM 427 CB LYS A 28 1.124 -17.861 -30.427 1.00 25.00 C ATOM 428 CG LYS A 28 -0.041 -18.752 -30.918 1.00 25.00 C ATOM 429 CD LYS A 28 0.467 -20.060 -31.515 1.00 25.00 C ATOM 430 CE LYS A 28 1.128 -19.874 -32.869 1.00 25.00 C ATOM 431 NZ LYS A 28 1.428 -21.245 -33.431 1.00 25.00 N ATOM 0 H LYS A 28 -0.123 -18.122 -28.300 1.00 25.00 H new ATOM 0 HA LYS A 28 1.609 -16.115 -29.287 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.669 -17.490 -31.295 1.00 25.00 H new ATOM 0 HB3 LYS A 28 1.817 -18.478 -29.855 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.711 -18.967 -30.086 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.623 -18.212 -31.665 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.180 -20.514 -30.827 1.00 25.00 H new ATOM 0 HD3 LYS A 28 -0.366 -20.755 -31.616 1.00 25.00 H new ATOM 0 HE2 LYS A 28 0.472 -19.321 -33.541 1.00 25.00 H new ATOM 0 HE3 LYS A 28 2.045 -19.293 -32.770 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 1.883 -21.147 -34.361 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 2.066 -21.753 -32.786 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.542 -21.780 -33.533 1.00 25.00 H new ATOM 445 N GLY A 29 0.329 -14.618 -30.778 1.00 25.00 N ATOM 446 CA GLY A 29 -0.449 -13.645 -31.530 1.00 25.00 C ATOM 447 C GLY A 29 -0.996 -12.532 -30.652 1.00 25.00 C ATOM 448 O GLY A 29 -1.453 -11.527 -31.156 1.00 25.00 O ATOM 0 H GLY A 29 1.306 -14.363 -30.636 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.175 -13.213 -32.312 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.277 -14.152 -32.026 1.00 25.00 H new ATOM 452 N ASP A 30 -0.925 -12.676 -29.336 1.00 25.00 N ATOM 453 CA ASP A 30 -1.375 -11.621 -28.415 1.00 25.00 C ATOM 454 C ASP A 30 -0.352 -10.477 -28.413 1.00 25.00 C ATOM 455 O ASP A 30 0.802 -10.694 -28.800 1.00 25.00 O ATOM 456 CB ASP A 30 -1.525 -12.196 -26.997 1.00 25.00 C ATOM 457 CG ASP A 30 -2.668 -11.561 -26.220 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.040 -10.422 -26.537 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.216 -12.233 -25.325 1.00 25.00 O ATOM 0 H ASP A 30 -0.561 -13.510 -28.874 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.342 -11.239 -28.744 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.690 -13.272 -27.062 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.594 -12.048 -26.450 1.00 25.00 H new ATOM 464 N ILE A 31 -0.765 -9.289 -27.982 1.00 25.00 N ATOM 465 CA ILE A 31 0.096 -8.082 -28.002 1.00 25.00 C ATOM 466 C ILE A 31 0.166 -7.495 -26.588 1.00 25.00 C ATOM 467 O ILE A 31 -0.873 -7.212 -26.000 1.00 25.00 O ATOM 468 CB ILE A 31 -0.473 -6.947 -28.946 1.00 25.00 C ATOM 469 CG1 ILE A 31 -0.790 -7.484 -30.367 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.492 -5.712 -29.008 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.408 -8.033 -31.144 1.00 25.00 C ATOM 0 H ILE A 31 -1.699 -9.122 -27.608 1.00 25.00 H new ATOM 0 HA ILE A 31 1.072 -8.395 -28.372 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.413 -6.610 -28.509 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.537 -8.273 -30.280 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.241 -6.680 -30.949 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.069 -4.952 -29.665 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.617 -5.297 -28.008 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.462 -6.027 -29.394 1.00 25.00 H new ATOM 0 HD11 ILE A 31 0.078 -8.382 -32.122 1.00 25.00 H new ATOM 0 HD12 ILE A 31 1.151 -7.246 -31.271 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.850 -8.863 -30.593 1.00 25.00 H new ATOM 483 N MET A 32 1.370 -7.332 -26.054 1.00 25.00 N ATOM 484 CA MET A 32 1.539 -6.842 -24.671 1.00 25.00 C ATOM 485 C MET A 32 2.567 -5.706 -24.551 1.00 25.00 C ATOM 486 O MET A 32 3.489 -5.597 -25.351 1.00 25.00 O ATOM 487 CB MET A 32 1.933 -7.991 -23.754 1.00 25.00 C ATOM 488 CG MET A 32 3.258 -8.650 -24.106 1.00 25.00 C ATOM 489 SD MET A 32 3.377 -10.249 -23.288 1.00 25.00 S ATOM 490 CE MET A 32 2.469 -11.265 -24.437 1.00 25.00 C ATOM 0 H MET A 32 2.243 -7.527 -26.544 1.00 25.00 H new ATOM 0 HA MET A 32 0.576 -6.431 -24.368 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.986 -7.621 -22.730 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.147 -8.746 -23.780 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.337 -8.776 -25.186 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.086 -8.011 -23.799 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.709 -12.314 -24.263 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.400 -11.109 -24.295 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.743 -10.994 -25.457 1.00 25.00 H new ATOM 500 N THR A 33 2.387 -4.857 -23.550 1.00 25.00 N ATOM 501 CA THR A 33 3.260 -3.694 -23.360 1.00 25.00 C ATOM 502 C THR A 33 4.396 -4.040 -22.419 1.00 25.00 C ATOM 503 O THR A 33 4.155 -4.605 -21.360 1.00 25.00 O ATOM 504 CB THR A 33 2.454 -2.516 -22.740 1.00 25.00 C ATOM 505 OG1 THR A 33 1.310 -2.257 -23.553 1.00 25.00 O ATOM 506 CG2 THR A 33 3.300 -1.221 -22.641 1.00 25.00 C ATOM 0 H THR A 33 1.647 -4.946 -22.854 1.00 25.00 H new ATOM 0 HA THR A 33 3.657 -3.405 -24.333 1.00 25.00 H new ATOM 0 HB THR A 33 2.161 -2.806 -21.731 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.796 -1.517 -23.168 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.697 -0.425 -22.203 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.172 -1.403 -22.013 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.626 -0.922 -23.637 1.00 25.00 H new ATOM 514 N VAL A 34 5.617 -3.719 -22.794 1.00 25.00 N ATOM 515 CA VAL A 34 6.796 -3.987 -21.981 1.00 25.00 C ATOM 516 C VAL A 34 7.048 -2.767 -21.092 1.00 25.00 C ATOM 517 O VAL A 34 7.106 -1.607 -21.574 1.00 25.00 O ATOM 518 CB VAL A 34 8.061 -4.260 -22.893 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.353 -4.435 -22.054 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.864 -5.508 -23.751 1.00 25.00 C ATOM 0 H VAL A 34 5.826 -3.260 -23.680 1.00 25.00 H new ATOM 0 HA VAL A 34 6.626 -4.876 -21.373 1.00 25.00 H new ATOM 0 HB VAL A 34 8.170 -3.385 -23.534 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.196 -4.620 -22.719 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.538 -3.529 -21.477 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.234 -5.279 -21.375 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.749 -5.670 -24.366 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.708 -6.372 -23.106 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.994 -5.374 -24.394 1.00 25.00 H new ATOM 530 N LEU A 35 7.155 -3.037 -19.793 1.00 25.00 N ATOM 531 CA LEU A 35 7.341 -1.999 -18.787 1.00 25.00 C ATOM 532 C LEU A 35 8.761 -1.930 -18.311 1.00 25.00 C ATOM 533 O LEU A 35 9.311 -0.857 -18.073 1.00 25.00 O ATOM 534 CB LEU A 35 6.422 -2.268 -17.597 1.00 25.00 C ATOM 535 CG LEU A 35 4.910 -2.397 -17.918 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.118 -2.732 -16.643 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.313 -1.123 -18.535 1.00 25.00 C ATOM 0 H LEU A 35 7.115 -3.982 -19.410 1.00 25.00 H new ATOM 0 HA LEU A 35 7.094 -1.043 -19.248 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.749 -3.187 -17.112 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.552 -1.462 -16.874 1.00 25.00 H new ATOM 0 HG LEU A 35 4.828 -3.200 -18.651 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.059 -2.819 -16.885 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.475 -3.676 -16.230 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.258 -1.939 -15.909 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.253 -1.278 -18.736 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.433 -0.292 -17.840 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.829 -0.894 -19.467 1.00 25.00 H new ATOM 549 N GLU A 36 9.358 -3.104 -18.170 1.00 25.00 N ATOM 550 CA GLU A 36 10.710 -3.239 -17.649 1.00 25.00 C ATOM 551 C GLU A 36 11.404 -4.382 -18.405 1.00 25.00 C ATOM 552 O GLU A 36 10.728 -5.217 -19.017 1.00 25.00 O ATOM 553 CB GLU A 36 10.631 -3.534 -16.142 1.00 25.00 C ATOM 554 CG GLU A 36 11.964 -3.461 -15.371 1.00 25.00 C ATOM 555 CD GLU A 36 11.837 -3.888 -13.910 1.00 25.00 C ATOM 556 OE1 GLU A 36 12.865 -3.927 -13.173 1.00 25.00 O ATOM 557 OE2 GLU A 36 10.697 -4.242 -13.535 1.00 25.00 O ATOM 0 H GLU A 36 8.918 -3.991 -18.414 1.00 25.00 H new ATOM 0 HA GLU A 36 11.284 -2.323 -17.790 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.933 -2.830 -15.690 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.210 -4.531 -16.008 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.698 -4.096 -15.866 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.345 -2.441 -15.413 1.00 25.00 H new ATOM 564 N ARG A 37 12.733 -4.413 -18.361 1.00 25.00 N ATOM 565 CA ARG A 37 13.535 -5.481 -18.914 1.00 25.00 C ATOM 566 C ARG A 37 14.526 -5.858 -17.840 1.00 25.00 C ATOM 567 O ARG A 37 14.931 -4.977 -17.099 1.00 25.00 O ATOM 568 CB ARG A 37 14.312 -5.031 -20.164 1.00 25.00 C ATOM 569 CG ARG A 37 13.472 -4.616 -21.351 1.00 25.00 C ATOM 570 CD ARG A 37 14.322 -4.580 -22.602 1.00 25.00 C ATOM 571 NE ARG A 37 13.580 -4.074 -23.761 1.00 25.00 N ATOM 572 CZ ARG A 37 13.535 -2.795 -24.128 1.00 25.00 C ATOM 573 NH1 ARG A 37 14.139 -1.828 -23.466 1.00 25.00 N ATOM 574 NH2 ARG A 37 12.856 -2.489 -25.192 1.00 25.00 N ATOM 0 H ARG A 37 13.288 -3.675 -17.928 1.00 25.00 H new ATOM 0 HA ARG A 37 12.892 -6.309 -19.213 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.954 -4.194 -19.887 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.966 -5.846 -20.474 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.646 -5.314 -21.483 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.034 -3.634 -21.171 1.00 25.00 H new ATOM 0 HD2 ARG A 37 15.195 -3.950 -22.428 1.00 25.00 H new ATOM 0 HD3 ARG A 37 14.690 -5.583 -22.818 1.00 25.00 H new ATOM 0 HE ARG A 37 13.063 -4.748 -24.325 1.00 25.00 H new ATOM 0 HH11 ARG A 37 14.675 -2.043 -22.626 1.00 25.00 H new ATOM 0 HH12 ARG A 37 14.070 -0.865 -23.794 1.00 25.00 H new ATOM 0 HH21 ARG A 37 12.377 -3.219 -25.719 1.00 25.00 H new ATOM 0 HH22 ARG A 37 12.801 -1.518 -25.500 1.00 25.00 H new ATOM 588 N ASP A 38 14.867 -7.138 -17.751 1.00 25.00 N ATOM 589 CA ASP A 38 15.757 -7.656 -16.698 1.00 25.00 C ATOM 590 C ASP A 38 15.061 -7.449 -15.326 1.00 25.00 C ATOM 591 O ASP A 38 15.647 -7.085 -14.309 1.00 25.00 O ATOM 592 CB ASP A 38 17.139 -6.997 -16.783 1.00 25.00 C ATOM 593 CG ASP A 38 18.240 -7.942 -16.415 1.00 25.00 C ATOM 594 OD1 ASP A 38 18.287 -8.438 -15.271 1.00 25.00 O ATOM 595 OD2 ASP A 38 19.080 -8.208 -17.294 1.00 25.00 O ATOM 0 H ASP A 38 14.539 -7.852 -18.402 1.00 25.00 H new ATOM 0 HA ASP A 38 15.934 -8.723 -16.830 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.302 -6.629 -17.796 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.168 -6.132 -16.120 1.00 25.00 H new ATOM 600 N THR A 39 13.751 -7.651 -15.373 1.00 25.00 N ATOM 601 CA THR A 39 12.855 -7.359 -14.243 1.00 25.00 C ATOM 602 C THR A 39 12.994 -8.279 -13.013 1.00 25.00 C ATOM 603 O THR A 39 12.560 -7.949 -11.926 1.00 25.00 O ATOM 604 CB THR A 39 11.400 -7.426 -14.742 1.00 25.00 C ATOM 605 OG1 THR A 39 10.499 -7.018 -13.708 1.00 25.00 O ATOM 606 CG2 THR A 39 11.033 -8.859 -15.163 1.00 25.00 C ATOM 0 H THR A 39 13.271 -8.022 -16.193 1.00 25.00 H new ATOM 0 HA THR A 39 13.146 -6.368 -13.895 1.00 25.00 H new ATOM 0 HB THR A 39 11.315 -6.758 -15.599 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.535 -6.044 -13.608 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.001 -8.883 -15.512 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.695 -9.183 -15.966 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.143 -9.528 -14.310 1.00 25.00 H new ATOM 614 N GLN A 40 13.579 -9.450 -13.209 1.00 25.00 N ATOM 615 CA GLN A 40 13.706 -10.411 -12.101 1.00 25.00 C ATOM 616 C GLN A 40 15.192 -10.689 -11.856 1.00 25.00 C ATOM 617 O GLN A 40 15.577 -11.628 -11.139 1.00 25.00 O ATOM 618 CB GLN A 40 12.942 -11.685 -12.426 1.00 25.00 C ATOM 619 CG GLN A 40 12.425 -12.449 -11.201 1.00 25.00 C ATOM 620 CD GLN A 40 11.712 -13.714 -11.601 1.00 25.00 C ATOM 621 OE1 GLN A 40 12.217 -14.496 -12.382 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.531 -13.908 -11.067 1.00 25.00 N ATOM 0 H GLN A 40 13.968 -9.762 -14.099 1.00 25.00 H new ATOM 0 HA GLN A 40 13.275 -9.997 -11.190 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.095 -11.433 -13.064 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.590 -12.345 -13.002 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.260 -12.693 -10.544 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.747 -11.812 -10.633 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.147 -13.223 -10.416 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.996 -14.744 -11.303 1.00 25.00 H new ATOM 631 N GLY A 41 16.035 -9.886 -12.496 1.00 25.00 N ATOM 632 CA GLY A 41 17.475 -10.040 -12.361 1.00 25.00 C ATOM 633 C GLY A 41 18.008 -11.074 -13.326 1.00 25.00 C ATOM 634 O GLY A 41 19.215 -11.269 -13.462 1.00 25.00 O ATOM 0 H GLY A 41 15.746 -9.125 -13.111 1.00 25.00 H new ATOM 0 HA2 GLY A 41 17.964 -9.083 -12.543 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.718 -10.333 -11.340 1.00 25.00 H new ATOM 638 N LEU A 42 17.090 -11.733 -14.010 1.00 25.00 N ATOM 639 CA LEU A 42 17.428 -12.710 -15.029 1.00 25.00 C ATOM 640 C LEU A 42 17.504 -11.962 -16.338 1.00 25.00 C ATOM 641 O LEU A 42 16.625 -11.125 -16.638 1.00 25.00 O ATOM 642 CB LEU A 42 16.332 -13.769 -15.159 1.00 25.00 C ATOM 643 CG LEU A 42 16.096 -14.738 -13.992 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.807 -15.514 -14.284 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.257 -15.747 -13.806 1.00 25.00 C ATOM 0 H LEU A 42 16.087 -11.605 -13.874 1.00 25.00 H new ATOM 0 HA LEU A 42 18.363 -13.205 -14.769 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.393 -13.250 -15.352 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.554 -14.366 -16.044 1.00 25.00 H new ATOM 0 HG LEU A 42 16.027 -14.156 -13.073 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.611 -16.213 -13.471 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.974 -14.816 -14.371 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.918 -16.065 -15.218 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.035 -16.406 -12.967 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.372 -16.340 -14.713 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.182 -15.205 -13.607 1.00 25.00 H new ATOM 657 N ASP A 43 18.494 -12.306 -17.140 1.00 25.00 N ATOM 658 CA ASP A 43 18.607 -11.680 -18.445 1.00 25.00 C ATOM 659 C ASP A 43 17.472 -12.122 -19.342 1.00 25.00 C ATOM 660 O ASP A 43 16.923 -13.225 -19.216 1.00 25.00 O ATOM 661 CB ASP A 43 19.957 -12.004 -19.126 1.00 25.00 C ATOM 662 CG ASP A 43 20.013 -13.400 -19.744 1.00 25.00 C ATOM 663 OD1 ASP A 43 20.077 -13.508 -20.984 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.083 -14.379 -18.983 1.00 25.00 O ATOM 0 H ASP A 43 19.213 -12.995 -16.921 1.00 25.00 H new ATOM 0 HA ASP A 43 18.555 -10.602 -18.290 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.149 -11.264 -19.903 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.757 -11.909 -18.391 1.00 25.00 H new ATOM 669 N GLY A 44 17.070 -11.265 -20.267 1.00 25.00 N ATOM 670 CA GLY A 44 16.061 -11.628 -21.240 1.00 25.00 C ATOM 671 C GLY A 44 14.640 -11.689 -20.710 1.00 25.00 C ATOM 672 O GLY A 44 13.728 -11.899 -21.472 1.00 25.00 O ATOM 0 H GLY A 44 17.429 -10.315 -20.362 1.00 25.00 H new ATOM 0 HA2 GLY A 44 16.095 -10.910 -22.059 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.317 -12.601 -21.659 1.00 25.00 H new ATOM 676 N TRP A 45 14.429 -11.489 -19.424 1.00 25.00 N ATOM 677 CA TRP A 45 13.079 -11.556 -18.872 1.00 25.00 C ATOM 678 C TRP A 45 12.520 -10.177 -18.697 1.00 25.00 C ATOM 679 O TRP A 45 13.224 -9.297 -18.226 1.00 25.00 O ATOM 680 CB TRP A 45 13.106 -12.286 -17.550 1.00 25.00 C ATOM 681 CG TRP A 45 13.135 -13.747 -17.773 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.213 -14.521 -17.994 1.00 25.00 C ATOM 683 CD2 TRP A 45 12.017 -14.616 -17.839 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.856 -15.821 -18.189 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.506 -15.918 -18.118 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.631 -14.429 -17.685 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.643 -17.037 -18.244 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.761 -15.553 -17.802 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.289 -16.842 -18.094 1.00 25.00 C ATOM 0 H TRP A 45 15.161 -11.281 -18.745 1.00 25.00 H new ATOM 0 HA TRP A 45 12.437 -12.101 -19.564 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.981 -11.981 -16.976 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.229 -12.018 -16.961 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.230 -14.158 -18.014 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.499 -16.594 -18.360 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.231 -13.447 -17.481 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.040 -18.020 -18.453 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.697 -15.425 -17.668 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.616 -17.680 -18.200 1.00 25.00 H new ATOM 700 N TRP A 46 11.305 -9.953 -19.170 1.00 25.00 N ATOM 701 CA TRP A 46 10.744 -8.603 -19.194 1.00 25.00 C ATOM 702 C TRP A 46 9.396 -8.550 -18.492 1.00 25.00 C ATOM 703 O TRP A 46 8.594 -9.478 -18.607 1.00 25.00 O ATOM 704 CB TRP A 46 10.528 -8.126 -20.640 1.00 25.00 C ATOM 705 CG TRP A 46 11.724 -8.115 -21.543 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.044 -8.219 -21.225 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.689 -7.983 -22.966 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.830 -8.196 -22.335 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.035 -8.047 -23.436 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.648 -7.832 -23.891 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.359 -7.988 -24.813 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.959 -7.764 -25.283 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.328 -7.836 -25.726 1.00 25.00 C ATOM 0 H TRP A 46 10.690 -10.677 -19.540 1.00 25.00 H new ATOM 0 HA TRP A 46 11.459 -7.960 -18.680 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.767 -8.760 -21.095 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.122 -7.115 -20.605 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.420 -8.309 -20.217 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.847 -8.277 -22.344 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.623 -7.768 -23.556 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.385 -8.060 -25.144 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.165 -7.658 -26.007 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.553 -7.771 -26.780 1.00 25.00 H new ATOM 724 N LEU A 47 9.130 -7.478 -17.781 1.00 25.00 N ATOM 725 CA LEU A 47 7.846 -7.299 -17.134 1.00 25.00 C ATOM 726 C LEU A 47 6.907 -6.751 -18.182 1.00 25.00 C ATOM 727 O LEU A 47 7.170 -5.688 -18.752 1.00 25.00 O ATOM 728 CB LEU A 47 7.928 -6.302 -15.968 1.00 25.00 C ATOM 729 CG LEU A 47 6.643 -6.132 -15.149 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.356 -7.365 -14.294 1.00 25.00 C ATOM 731 CD2 LEU A 47 6.745 -4.894 -14.255 1.00 25.00 C ATOM 0 H LEU A 47 9.788 -6.712 -17.634 1.00 25.00 H new ATOM 0 HA LEU A 47 7.506 -8.250 -16.725 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.726 -6.620 -15.297 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.215 -5.329 -16.366 1.00 25.00 H new ATOM 0 HG LEU A 47 5.818 -6.006 -15.850 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.438 -7.209 -13.727 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.241 -8.236 -14.939 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.184 -7.531 -13.605 1.00 25.00 H new ATOM 0 HD21 LEU A 47 5.826 -4.785 -13.679 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.589 -5.005 -13.574 1.00 25.00 H new ATOM 0 HD23 LEU A 47 6.892 -4.009 -14.874 1.00 25.00 H new ATOM 743 N CYS A 48 5.824 -7.454 -18.461 1.00 25.00 N ATOM 744 CA CYS A 48 4.818 -6.993 -19.403 1.00 25.00 C ATOM 745 C CYS A 48 3.470 -6.817 -18.700 1.00 25.00 C ATOM 746 O CYS A 48 3.253 -7.375 -17.610 1.00 25.00 O ATOM 747 CB CYS A 48 4.670 -7.987 -20.574 1.00 25.00 C ATOM 748 SG CYS A 48 6.219 -8.305 -21.455 1.00 25.00 S ATOM 0 H CYS A 48 5.616 -8.360 -18.042 1.00 25.00 H new ATOM 0 HA CYS A 48 5.141 -6.031 -19.799 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.279 -8.930 -20.192 1.00 25.00 H new ATOM 0 HB3 CYS A 48 3.934 -7.599 -21.278 1.00 25.00 H new ATOM 0 HG CYS A 48 5.957 -8.786 -22.634 1.00 25.00 H new ATOM 754 N SER A 49 2.539 -6.104 -19.330 1.00 25.00 N ATOM 755 CA SER A 49 1.194 -5.937 -18.814 1.00 25.00 C ATOM 756 C SER A 49 0.190 -6.488 -19.828 1.00 25.00 C ATOM 757 O SER A 49 0.232 -6.150 -21.021 1.00 25.00 O ATOM 758 CB SER A 49 0.901 -4.470 -18.506 1.00 25.00 C ATOM 759 OG SER A 49 0.978 -3.727 -19.707 1.00 25.00 O ATOM 0 H SER A 49 2.703 -5.626 -20.216 1.00 25.00 H new ATOM 0 HA SER A 49 1.103 -6.492 -17.880 1.00 25.00 H new ATOM 0 HB2 SER A 49 -0.089 -4.368 -18.062 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.617 -4.087 -17.779 1.00 25.00 H new ATOM 0 HG SER A 49 0.885 -4.332 -20.472 1.00 25.00 H new ATOM 765 N LEU A 50 -0.680 -7.377 -19.354 1.00 25.00 N ATOM 766 CA LEU A 50 -1.687 -8.007 -20.198 1.00 25.00 C ATOM 767 C LEU A 50 -2.865 -8.390 -19.297 1.00 25.00 C ATOM 768 O LEU A 50 -2.652 -8.734 -18.145 1.00 25.00 O ATOM 769 CB LEU A 50 -1.088 -9.268 -20.863 1.00 25.00 C ATOM 770 CG LEU A 50 -1.962 -9.966 -21.925 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.155 -9.089 -23.164 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.331 -11.325 -22.322 1.00 25.00 C ATOM 0 H LEU A 50 -0.705 -7.678 -18.380 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.018 -7.330 -20.986 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.142 -8.992 -21.328 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.860 -9.991 -20.080 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.945 -10.139 -21.487 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.776 -9.615 -23.889 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.642 -8.157 -22.878 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.185 -8.869 -23.609 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.955 -11.811 -23.072 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.335 -11.158 -22.732 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.259 -11.964 -21.442 1.00 25.00 H new ATOM 784 N HIS A 51 -4.081 -8.320 -19.839 1.00 25.00 N ATOM 785 CA HIS A 51 -5.314 -8.673 -19.120 1.00 25.00 C ATOM 786 C HIS A 51 -5.587 -7.819 -17.867 1.00 25.00 C ATOM 787 O HIS A 51 -6.461 -8.144 -17.075 1.00 25.00 O ATOM 788 CB HIS A 51 -5.295 -10.173 -18.722 1.00 25.00 C ATOM 789 CG HIS A 51 -6.632 -10.839 -18.802 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.039 -11.626 -19.829 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.690 -10.819 -17.941 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.268 -12.052 -19.583 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.730 -11.586 -18.454 1.00 25.00 N ATOM 0 H HIS A 51 -4.244 -8.014 -20.798 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.125 -8.466 -19.819 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.597 -10.702 -19.371 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.915 -10.264 -17.704 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.716 -10.287 -17.001 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -8.823 -12.707 -20.238 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -9.648 -11.748 -18.041 1.00 25.00 H new ATOM 801 N GLY A 52 -4.840 -6.734 -17.678 1.00 25.00 N ATOM 802 CA GLY A 52 -5.037 -5.902 -16.508 1.00 25.00 C ATOM 803 C GLY A 52 -4.144 -6.321 -15.348 1.00 25.00 C ATOM 804 O GLY A 52 -4.322 -5.857 -14.234 1.00 25.00 O ATOM 0 H GLY A 52 -4.106 -6.419 -18.312 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.833 -4.863 -16.765 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.081 -5.955 -16.198 1.00 25.00 H new ATOM 808 N ARG A 53 -3.196 -7.207 -15.616 1.00 25.00 N ATOM 809 CA ARG A 53 -2.233 -7.683 -14.626 1.00 25.00 C ATOM 810 C ARG A 53 -0.850 -7.416 -15.199 1.00 25.00 C ATOM 811 O ARG A 53 -0.723 -7.209 -16.412 1.00 25.00 O ATOM 812 CB ARG A 53 -2.399 -9.196 -14.368 1.00 25.00 C ATOM 813 CG ARG A 53 -3.758 -9.583 -13.831 1.00 25.00 C ATOM 814 CD ARG A 53 -3.743 -11.007 -13.320 1.00 25.00 C ATOM 815 NE ARG A 53 -5.090 -11.422 -12.874 1.00 25.00 N ATOM 816 CZ ARG A 53 -5.341 -12.522 -12.181 1.00 25.00 C ATOM 817 NH1 ARG A 53 -4.383 -13.346 -11.839 1.00 25.00 N ATOM 818 NH2 ARG A 53 -6.569 -12.796 -11.850 1.00 25.00 N ATOM 0 H ARG A 53 -3.070 -7.623 -16.539 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.386 -7.171 -13.676 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.221 -9.734 -15.299 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.635 -9.520 -13.661 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -4.044 -8.905 -13.027 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.508 -9.480 -14.616 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -3.394 -11.676 -14.106 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.039 -11.093 -12.492 1.00 25.00 H new ATOM 0 HE ARG A 53 -5.878 -10.821 -13.116 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -3.419 -13.147 -12.107 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -4.600 -14.187 -11.305 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -7.324 -12.167 -12.124 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -6.777 -13.640 -11.316 1.00 25.00 H new ATOM 832 N GLN A 54 0.185 -7.493 -14.378 1.00 25.00 N ATOM 833 CA GLN A 54 1.565 -7.412 -14.872 1.00 25.00 C ATOM 834 C GLN A 54 2.200 -8.743 -14.490 1.00 25.00 C ATOM 835 O GLN A 54 1.703 -9.421 -13.599 1.00 25.00 O ATOM 836 CB GLN A 54 2.323 -6.263 -14.209 1.00 25.00 C ATOM 837 CG GLN A 54 1.771 -4.898 -14.541 1.00 25.00 C ATOM 838 CD GLN A 54 0.657 -4.451 -13.602 1.00 25.00 C ATOM 839 OE1 GLN A 54 -0.507 -4.483 -13.940 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.031 -4.041 -12.426 1.00 25.00 N ATOM 0 H GLN A 54 0.104 -7.611 -13.368 1.00 25.00 H new ATOM 0 HA GLN A 54 1.593 -7.226 -15.946 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.300 -6.401 -13.128 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.369 -6.306 -14.514 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.580 -4.169 -14.506 1.00 25.00 H new ATOM 0 HG3 GLN A 54 1.393 -4.906 -15.563 1.00 25.00 H new ATOM 0 HE21 GLN A 54 2.021 -4.030 -12.181 1.00 25.00 H new ATOM 0 HE22 GLN A 54 0.334 -3.731 -11.749 1.00 25.00 H new ATOM 849 N GLY A 55 3.253 -9.142 -15.190 1.00 25.00 N ATOM 850 CA GLY A 55 3.914 -10.398 -14.890 1.00 25.00 C ATOM 851 C GLY A 55 5.131 -10.613 -15.755 1.00 25.00 C ATOM 852 O GLY A 55 5.315 -9.883 -16.752 1.00 25.00 O ATOM 0 H GLY A 55 3.663 -8.617 -15.963 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.207 -10.412 -13.840 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.214 -11.221 -15.037 1.00 25.00 H new ATOM 856 N ILE A 56 6.011 -11.522 -15.366 1.00 25.00 N ATOM 857 CA ILE A 56 7.265 -11.726 -16.096 1.00 25.00 C ATOM 858 C ILE A 56 6.974 -12.514 -17.355 1.00 25.00 C ATOM 859 O ILE A 56 6.100 -13.404 -17.398 1.00 25.00 O ATOM 860 CB ILE A 56 8.350 -12.437 -15.184 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.908 -13.861 -14.772 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.581 -11.587 -13.901 1.00 25.00 C ATOM 863 CD1 ILE A 56 8.987 -14.680 -14.126 1.00 25.00 C ATOM 0 H ILE A 56 5.887 -12.129 -14.556 1.00 25.00 H new ATOM 0 HA ILE A 56 7.688 -10.761 -16.377 1.00 25.00 H new ATOM 0 HB ILE A 56 9.271 -12.520 -15.762 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.066 -13.783 -14.084 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.549 -14.387 -15.656 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.327 -12.073 -13.272 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.934 -10.594 -14.181 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.645 -11.497 -13.351 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.593 -15.663 -13.869 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.821 -14.793 -14.818 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.331 -14.179 -13.221 1.00 25.00 H new ATOM 875 N VAL A 57 7.678 -12.136 -18.414 1.00 25.00 N ATOM 876 CA VAL A 57 7.549 -12.799 -19.720 1.00 25.00 C ATOM 877 C VAL A 57 8.937 -12.941 -20.387 1.00 25.00 C ATOM 878 O VAL A 57 9.736 -11.996 -20.365 1.00 25.00 O ATOM 879 CB VAL A 57 6.607 -11.972 -20.665 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.527 -12.535 -22.073 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.220 -11.912 -20.094 1.00 25.00 C ATOM 0 H VAL A 57 8.351 -11.369 -18.401 1.00 25.00 H new ATOM 0 HA VAL A 57 7.119 -13.788 -19.558 1.00 25.00 H new ATOM 0 HB VAL A 57 7.044 -10.976 -20.729 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.860 -11.917 -22.674 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.521 -12.538 -22.521 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.143 -13.554 -22.036 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.577 -11.336 -20.759 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.824 -12.923 -19.993 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.250 -11.434 -19.115 1.00 25.00 H new ATOM 891 N PRO A 58 9.259 -14.105 -20.994 1.00 25.00 N ATOM 892 CA PRO A 58 10.570 -14.189 -21.651 1.00 25.00 C ATOM 893 C PRO A 58 10.617 -13.324 -22.913 1.00 25.00 C ATOM 894 O PRO A 58 9.896 -13.562 -23.896 1.00 25.00 O ATOM 895 CB PRO A 58 10.704 -15.679 -21.928 1.00 25.00 C ATOM 896 CG PRO A 58 9.274 -16.168 -22.071 1.00 25.00 C ATOM 897 CD PRO A 58 8.511 -15.378 -21.085 1.00 25.00 C ATOM 0 HA PRO A 58 11.397 -13.807 -21.053 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.280 -15.864 -22.835 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.219 -16.190 -21.114 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.900 -16.008 -23.082 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.198 -17.236 -21.868 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.484 -15.215 -21.412 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.462 -15.883 -20.120 1.00 25.00 H new ATOM 905 N GLY A 59 11.462 -12.316 -22.890 1.00 25.00 N ATOM 906 CA GLY A 59 11.532 -11.336 -23.964 1.00 25.00 C ATOM 907 C GLY A 59 11.989 -11.918 -25.287 1.00 25.00 C ATOM 908 O GLY A 59 11.572 -11.442 -26.334 1.00 25.00 O ATOM 0 H GLY A 59 12.121 -12.149 -22.130 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.549 -10.883 -24.096 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.215 -10.538 -23.672 1.00 25.00 H new ATOM 912 N ASN A 60 12.738 -13.011 -25.258 1.00 25.00 N ATOM 913 CA ASN A 60 13.190 -13.667 -26.497 1.00 25.00 C ATOM 914 C ASN A 60 12.008 -14.226 -27.303 1.00 25.00 C ATOM 915 O ASN A 60 12.106 -14.457 -28.515 1.00 25.00 O ATOM 916 CB ASN A 60 14.174 -14.793 -26.142 1.00 25.00 C ATOM 917 CG ASN A 60 14.856 -15.368 -27.356 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.402 -14.643 -28.171 1.00 25.00 O ATOM 919 ND2 ASN A 60 14.817 -16.675 -27.503 1.00 25.00 N ATOM 0 H ASN A 60 13.049 -13.467 -24.400 1.00 25.00 H new ATOM 0 HA ASN A 60 13.687 -12.924 -27.121 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.927 -14.409 -25.454 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.640 -15.587 -25.620 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.252 -17.110 -28.317 1.00 25.00 H new ATOM 0 HD22 ASN A 60 14.352 -17.253 -26.803 1.00 25.00 H new ATOM 926 N ARG A 61 10.904 -14.473 -26.629 1.00 25.00 N ATOM 927 CA ARG A 61 9.712 -15.050 -27.276 1.00 25.00 C ATOM 928 C ARG A 61 8.772 -13.965 -27.780 1.00 25.00 C ATOM 929 O ARG A 61 7.646 -14.262 -28.187 1.00 25.00 O ATOM 930 CB ARG A 61 9.005 -15.966 -26.283 1.00 25.00 C ATOM 931 CG ARG A 61 9.921 -17.135 -25.792 1.00 25.00 C ATOM 932 CD ARG A 61 9.142 -18.201 -25.010 1.00 25.00 C ATOM 933 NE ARG A 61 10.047 -19.067 -24.208 1.00 25.00 N ATOM 934 CZ ARG A 61 9.666 -20.048 -23.395 1.00 25.00 C ATOM 935 NH1 ARG A 61 8.415 -20.381 -23.229 1.00 25.00 N ATOM 936 NH2 ARG A 61 10.575 -20.690 -22.716 1.00 25.00 N ATOM 0 H ARG A 61 10.793 -14.288 -25.632 1.00 25.00 H new ATOM 0 HA ARG A 61 10.025 -15.628 -28.146 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.676 -15.381 -25.424 1.00 25.00 H new ATOM 0 HB3 ARG A 61 8.111 -16.380 -26.748 1.00 25.00 H new ATOM 0 HG2 ARG A 61 10.404 -17.600 -26.652 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.713 -16.732 -25.161 1.00 25.00 H new ATOM 0 HD2 ARG A 61 8.424 -17.715 -24.350 1.00 25.00 H new ATOM 0 HD3 ARG A 61 8.571 -18.817 -25.705 1.00 25.00 H new ATOM 0 HE ARG A 61 11.049 -18.893 -24.289 1.00 25.00 H new ATOM 0 HH11 ARG A 61 7.683 -19.881 -23.734 1.00 25.00 H new ATOM 0 HH12 ARG A 61 8.169 -21.141 -22.594 1.00 25.00 H new ATOM 0 HH21 ARG A 61 11.558 -20.437 -22.814 1.00 25.00 H new ATOM 0 HH22 ARG A 61 10.303 -21.446 -22.087 1.00 25.00 H new ATOM 950 N LEU A 62 9.235 -12.724 -27.768 1.00 25.00 N ATOM 951 CA LEU A 62 8.425 -11.583 -28.166 1.00 25.00 C ATOM 952 C LEU A 62 9.011 -10.860 -29.388 1.00 25.00 C ATOM 953 O LEU A 62 10.218 -10.735 -29.539 1.00 25.00 O ATOM 954 CB LEU A 62 8.338 -10.572 -27.009 1.00 25.00 C ATOM 955 CG LEU A 62 7.629 -10.989 -25.710 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.784 -9.875 -24.662 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.169 -11.227 -25.993 1.00 25.00 C ATOM 0 H LEU A 62 10.183 -12.480 -27.482 1.00 25.00 H new ATOM 0 HA LEU A 62 7.438 -11.967 -28.423 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.355 -10.279 -26.750 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.837 -9.681 -27.387 1.00 25.00 H new ATOM 0 HG LEU A 62 8.075 -11.906 -25.326 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.282 -10.170 -23.741 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.842 -9.709 -24.461 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.338 -8.955 -25.040 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.664 -11.523 -25.074 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.719 -10.311 -26.376 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.067 -12.019 -26.734 1.00 25.00 H new ATOM 969 N LYS A 63 8.139 -10.348 -30.247 1.00 25.00 N ATOM 970 CA LYS A 63 8.550 -9.604 -31.433 1.00 25.00 C ATOM 971 C LYS A 63 8.153 -8.153 -31.315 1.00 25.00 C ATOM 972 O LYS A 63 6.975 -7.847 -31.281 1.00 25.00 O ATOM 973 CB LYS A 63 7.922 -10.219 -32.687 1.00 25.00 C ATOM 974 CG LYS A 63 8.408 -9.595 -34.027 1.00 25.00 C ATOM 975 CD LYS A 63 7.616 -10.162 -35.223 1.00 25.00 C ATOM 976 CE LYS A 63 8.176 -9.657 -36.550 1.00 25.00 C ATOM 977 NZ LYS A 63 9.536 -10.222 -36.854 1.00 25.00 N ATOM 0 H LYS A 63 7.128 -10.436 -30.142 1.00 25.00 H new ATOM 0 HA LYS A 63 9.635 -9.661 -31.515 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.138 -11.287 -32.699 1.00 25.00 H new ATOM 0 HB3 LYS A 63 6.839 -10.114 -32.624 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.292 -8.512 -33.991 1.00 25.00 H new ATOM 0 HG3 LYS A 63 9.471 -9.797 -34.162 1.00 25.00 H new ATOM 0 HD2 LYS A 63 7.652 -11.251 -35.202 1.00 25.00 H new ATOM 0 HD3 LYS A 63 6.568 -9.876 -35.136 1.00 25.00 H new ATOM 0 HE2 LYS A 63 7.489 -9.920 -37.354 1.00 25.00 H new ATOM 0 HE3 LYS A 63 8.236 -8.569 -36.525 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 9.806 -9.973 -37.827 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 10.232 -9.827 -36.190 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 9.512 -11.257 -36.756 1.00 25.00 H new ATOM 991 N ILE A 64 9.141 -7.262 -31.217 1.00 25.00 N ATOM 992 CA ILE A 64 8.909 -5.831 -30.982 1.00 25.00 C ATOM 993 C ILE A 64 7.955 -5.283 -32.035 1.00 25.00 C ATOM 994 O ILE A 64 8.072 -5.648 -33.187 1.00 25.00 O ATOM 995 CB ILE A 64 10.257 -5.011 -30.974 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.229 -5.528 -29.871 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.982 -3.490 -30.755 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.617 -5.604 -28.437 1.00 25.00 C ATOM 0 H ILE A 64 10.127 -7.510 -31.298 1.00 25.00 H new ATOM 0 HA ILE A 64 8.459 -5.720 -29.995 1.00 25.00 H new ATOM 0 HB ILE A 64 10.727 -5.153 -31.947 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.580 -6.521 -30.153 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.103 -4.877 -29.843 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.927 -2.946 -30.753 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.349 -3.115 -31.559 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.478 -3.345 -29.799 1.00 25.00 H new ATOM 0 HD11 ILE A 64 11.369 -5.974 -27.740 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.292 -4.611 -28.127 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.762 -6.280 -28.442 1.00 25.00 H new