USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=8 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= -0.212 K(o=-0.21,f=-1.2) 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= -0.341 X(o=-0.34,f=-0.65) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0356 USER MOD Single : A 25 SER OG : rot 180:sc= 0.833 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 175:sc= -0.653 (180deg=-0.688) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -23:sc= 0.331 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot -160:sc= -0.457 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.16) USER MOD Single : A 54 GLN : amide:sc= -0.0162 X(o=-0.016,f=-0.022) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.192 2.166 -20.103 1.00 25.00 N ATOM 81 CA LEU A 6 9.575 1.911 -21.512 1.00 25.00 C ATOM 82 C LEU A 6 8.464 2.179 -22.534 1.00 25.00 C ATOM 83 O LEU A 6 8.705 2.730 -23.609 1.00 25.00 O ATOM 84 CB LEU A 6 10.043 0.465 -21.662 1.00 25.00 C ATOM 85 CG LEU A 6 11.402 0.176 -21.018 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.624 -1.319 -20.983 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.504 0.861 -21.822 1.00 25.00 C ATOM 0 HA LEU A 6 10.374 2.619 -21.731 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.296 -0.195 -21.220 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.097 0.220 -22.723 1.00 25.00 H new ATOM 0 HG LEU A 6 11.423 0.563 -19.999 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.590 -1.533 -20.526 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.834 -1.791 -20.399 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.609 -1.713 -21.999 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.471 0.655 -21.363 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.499 0.481 -22.844 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.330 1.937 -21.834 1.00 25.00 H new ATOM 99 N ASN A 7 7.259 1.761 -22.176 1.00 25.00 N ATOM 100 CA ASN A 7 6.065 2.008 -22.965 1.00 25.00 C ATOM 101 C ASN A 7 6.144 1.655 -24.468 1.00 25.00 C ATOM 102 O ASN A 7 5.608 2.379 -25.302 1.00 25.00 O ATOM 103 CB ASN A 7 5.642 3.473 -22.772 1.00 25.00 C ATOM 104 CG ASN A 7 4.191 3.721 -23.123 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.357 2.847 -23.023 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.896 4.922 -23.544 1.00 25.00 N ATOM 0 H ASN A 7 7.083 1.235 -21.320 1.00 25.00 H new ATOM 0 HA ASN A 7 5.316 1.313 -22.585 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.814 3.761 -21.735 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.274 4.112 -23.389 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.936 5.151 -23.802 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.626 5.631 -23.615 1.00 25.00 H new ATOM 113 N VAL A 8 6.749 0.508 -24.765 1.00 25.00 N ATOM 114 CA VAL A 8 6.727 -0.069 -26.108 1.00 25.00 C ATOM 115 C VAL A 8 6.019 -1.404 -25.957 1.00 25.00 C ATOM 116 O VAL A 8 5.825 -1.848 -24.839 1.00 25.00 O ATOM 117 CB VAL A 8 8.141 -0.273 -26.694 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.767 1.056 -26.993 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.054 -1.045 -25.712 1.00 25.00 C ATOM 0 H VAL A 8 7.267 -0.047 -24.084 1.00 25.00 H new ATOM 0 HA VAL A 8 6.222 0.602 -26.803 1.00 25.00 H new ATOM 0 HB VAL A 8 8.038 -0.856 -27.609 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.764 0.904 -27.406 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.153 1.593 -27.716 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.840 1.639 -26.075 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.041 -1.171 -26.156 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.143 -0.485 -24.781 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.621 -2.024 -25.506 1.00 25.00 H new ATOM 129 N LEU A 9 5.583 -2.005 -27.055 1.00 25.00 N ATOM 130 CA LEU A 9 4.777 -3.220 -26.992 1.00 25.00 C ATOM 131 C LEU A 9 5.334 -4.242 -27.934 1.00 25.00 C ATOM 132 O LEU A 9 6.090 -3.925 -28.869 1.00 25.00 O ATOM 133 CB LEU A 9 3.299 -2.941 -27.326 1.00 25.00 C ATOM 134 CG LEU A 9 3.006 -1.888 -28.417 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.909 -2.355 -29.354 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.608 -0.569 -27.751 1.00 25.00 C ATOM 0 H LEU A 9 5.773 -1.673 -28.001 1.00 25.00 H new ATOM 0 HA LEU A 9 4.817 -3.600 -25.971 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.839 -3.881 -27.632 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.800 -2.625 -26.410 1.00 25.00 H new ATOM 0 HG LEU A 9 3.908 -1.743 -29.012 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.727 -1.591 -30.110 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.216 -3.281 -29.840 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.995 -2.529 -28.786 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.400 0.177 -28.518 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.716 -0.723 -27.143 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.424 -0.221 -27.117 1.00 25.00 H new ATOM 148 N ALA A 10 5.014 -5.498 -27.664 1.00 25.00 N ATOM 149 CA ALA A 10 5.584 -6.630 -28.372 1.00 25.00 C ATOM 150 C ALA A 10 4.490 -7.645 -28.709 1.00 25.00 C ATOM 151 O ALA A 10 3.419 -7.642 -28.134 1.00 25.00 O ATOM 152 CB ALA A 10 6.655 -7.261 -27.513 1.00 25.00 C ATOM 0 H ALA A 10 4.345 -5.761 -26.940 1.00 25.00 H new ATOM 0 HA ALA A 10 6.030 -6.293 -29.307 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.088 -8.112 -28.038 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.434 -6.528 -27.306 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.216 -7.599 -26.574 1.00 25.00 H new ATOM 158 N LYS A 11 4.808 -8.528 -29.651 1.00 25.00 N ATOM 159 CA LYS A 11 3.897 -9.601 -30.074 1.00 25.00 C ATOM 160 C LYS A 11 4.412 -10.894 -29.484 1.00 25.00 C ATOM 161 O LYS A 11 5.612 -11.175 -29.610 1.00 25.00 O ATOM 162 CB LYS A 11 3.855 -9.745 -31.597 1.00 25.00 C ATOM 163 CG LYS A 11 3.035 -10.938 -32.065 1.00 25.00 C ATOM 164 CD LYS A 11 3.170 -11.188 -33.542 1.00 25.00 C ATOM 165 CE LYS A 11 2.475 -12.507 -33.925 1.00 25.00 C ATOM 166 NZ LYS A 11 2.690 -12.887 -35.371 1.00 25.00 N ATOM 0 H LYS A 11 5.700 -8.525 -30.145 1.00 25.00 H new ATOM 0 HA LYS A 11 2.890 -9.364 -29.732 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.440 -8.835 -32.030 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.873 -9.842 -31.974 1.00 25.00 H new ATOM 0 HG2 LYS A 11 3.350 -11.827 -31.519 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.986 -10.770 -31.823 1.00 25.00 H new ATOM 0 HD2 LYS A 11 2.730 -10.361 -34.100 1.00 25.00 H new ATOM 0 HD3 LYS A 11 4.224 -11.231 -33.816 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.847 -13.307 -33.285 1.00 25.00 H new ATOM 0 HE3 LYS A 11 1.406 -12.417 -33.733 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 2.200 -13.782 -35.571 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 2.311 -12.139 -35.986 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 3.708 -13.002 -35.552 1.00 25.00 H new ATOM 180 N ALA A 12 3.532 -11.700 -28.922 1.00 25.00 N ATOM 181 CA ALA A 12 3.895 -13.028 -28.440 1.00 25.00 C ATOM 182 C ALA A 12 4.064 -13.937 -29.655 1.00 25.00 C ATOM 183 O ALA A 12 3.113 -14.098 -30.441 1.00 25.00 O ATOM 184 CB ALA A 12 2.811 -13.577 -27.514 1.00 25.00 C ATOM 0 H ALA A 12 2.550 -11.459 -28.785 1.00 25.00 H new ATOM 0 HA ALA A 12 4.823 -12.979 -27.871 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.099 -14.568 -27.164 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.691 -12.911 -26.659 1.00 25.00 H new ATOM 0 HB3 ALA A 12 1.868 -13.644 -28.057 1.00 25.00 H new ATOM 190 N LEU A 13 5.249 -14.507 -29.847 1.00 25.00 N ATOM 191 CA LEU A 13 5.505 -15.368 -30.993 1.00 25.00 C ATOM 192 C LEU A 13 5.141 -16.798 -30.656 1.00 25.00 C ATOM 193 O LEU A 13 4.985 -17.626 -31.536 1.00 25.00 O ATOM 194 CB LEU A 13 6.983 -15.247 -31.392 1.00 25.00 C ATOM 195 CG LEU A 13 7.466 -13.864 -31.904 1.00 25.00 C ATOM 196 CD1 LEU A 13 8.967 -13.889 -32.085 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.791 -13.508 -33.239 1.00 25.00 C ATOM 0 H LEU A 13 6.047 -14.387 -29.223 1.00 25.00 H new ATOM 0 HA LEU A 13 4.890 -15.059 -31.838 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.590 -15.519 -30.528 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.185 -15.985 -32.169 1.00 25.00 H new ATOM 0 HG LEU A 13 7.195 -13.107 -31.168 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.306 -12.918 -32.445 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.445 -14.110 -31.131 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.233 -14.658 -32.810 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.145 -12.534 -33.578 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.038 -14.264 -33.985 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.710 -13.473 -33.102 1.00 25.00 H new ATOM 209 N TYR A 14 5.012 -17.069 -29.367 1.00 25.00 N ATOM 210 CA TYR A 14 4.733 -18.408 -28.839 1.00 25.00 C ATOM 211 C TYR A 14 3.720 -18.246 -27.720 1.00 25.00 C ATOM 212 O TYR A 14 3.469 -17.115 -27.298 1.00 25.00 O ATOM 213 CB TYR A 14 6.017 -19.038 -28.298 1.00 25.00 C ATOM 214 CG TYR A 14 7.165 -19.036 -29.304 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.148 -18.030 -29.280 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.255 -20.015 -30.313 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.222 -18.013 -30.215 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.321 -19.995 -31.249 1.00 25.00 C ATOM 219 CZ TYR A 14 9.297 -19.001 -31.182 1.00 25.00 C ATOM 220 OH TYR A 14 10.325 -19.013 -32.083 1.00 25.00 O ATOM 0 H TYR A 14 5.098 -16.358 -28.641 1.00 25.00 H new ATOM 0 HA TYR A 14 4.344 -19.059 -29.622 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.328 -18.499 -27.403 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.810 -20.065 -27.997 1.00 25.00 H new ATOM 0 HD1 TYR A 14 8.087 -17.251 -28.534 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.504 -20.789 -30.375 1.00 25.00 H new ATOM 0 HE1 TYR A 14 9.971 -17.236 -30.170 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.377 -20.753 -32.017 1.00 25.00 H new ATOM 0 HH TYR A 14 10.221 -19.777 -32.688 1.00 25.00 H new ATOM 230 N ASP A 15 3.148 -19.337 -27.231 1.00 25.00 N ATOM 231 CA ASP A 15 2.177 -19.301 -26.139 1.00 25.00 C ATOM 232 C ASP A 15 2.792 -19.757 -24.809 1.00 25.00 C ATOM 233 O ASP A 15 3.875 -20.354 -24.782 1.00 25.00 O ATOM 234 CB ASP A 15 1.013 -20.211 -26.523 1.00 25.00 C ATOM 235 CG ASP A 15 1.443 -21.639 -26.813 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.012 -22.527 -26.067 1.00 25.00 O ATOM 237 OD2 ASP A 15 2.059 -21.901 -27.881 1.00 25.00 O ATOM 0 H ASP A 15 3.343 -20.276 -27.579 1.00 25.00 H new ATOM 0 HA ASP A 15 1.839 -18.275 -25.992 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.281 -20.215 -25.715 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.515 -19.802 -27.402 1.00 25.00 H new ATOM 242 N ASN A 16 2.100 -19.473 -23.707 1.00 25.00 N ATOM 243 CA ASN A 16 2.498 -19.907 -22.376 1.00 25.00 C ATOM 244 C ASN A 16 1.303 -19.964 -21.429 1.00 25.00 C ATOM 245 O ASN A 16 0.334 -19.207 -21.581 1.00 25.00 O ATOM 246 CB ASN A 16 3.480 -18.920 -21.773 1.00 25.00 C ATOM 247 CG ASN A 16 4.137 -19.459 -20.524 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.582 -20.599 -20.511 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.193 -18.664 -19.502 1.00 25.00 N ATOM 0 H ASN A 16 1.238 -18.928 -23.717 1.00 25.00 H new ATOM 0 HA ASN A 16 2.942 -20.896 -22.488 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.247 -18.677 -22.509 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.960 -17.992 -21.536 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.624 -18.980 -18.633 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.806 -17.722 -19.567 1.00 25.00 H new ATOM 256 N VAL A 17 1.431 -20.771 -20.380 1.00 25.00 N ATOM 257 CA VAL A 17 0.459 -20.802 -19.300 1.00 25.00 C ATOM 258 C VAL A 17 1.293 -20.563 -18.050 1.00 25.00 C ATOM 259 O VAL A 17 2.335 -21.182 -17.877 1.00 25.00 O ATOM 260 CB VAL A 17 -0.242 -22.181 -19.257 1.00 25.00 C ATOM 261 CG1 VAL A 17 -1.255 -22.221 -18.110 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.918 -22.478 -20.588 1.00 25.00 C ATOM 0 H VAL A 17 2.210 -21.418 -20.258 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.334 -20.062 -19.410 1.00 25.00 H new ATOM 0 HB VAL A 17 0.509 -22.951 -19.081 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -1.742 -23.196 -18.089 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.740 -22.052 -17.164 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -2.004 -21.444 -18.259 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.406 -23.452 -20.539 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.662 -21.710 -20.798 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -0.171 -22.486 -21.382 1.00 25.00 H new ATOM 272 N ALA A 18 0.877 -19.615 -17.218 1.00 25.00 N ATOM 273 CA ALA A 18 1.645 -19.288 -16.037 1.00 25.00 C ATOM 274 C ALA A 18 1.581 -20.385 -14.965 1.00 25.00 C ATOM 275 O ALA A 18 0.495 -20.838 -14.613 1.00 25.00 O ATOM 276 CB ALA A 18 1.148 -17.976 -15.452 1.00 25.00 C ATOM 0 H ALA A 18 0.024 -19.070 -17.342 1.00 25.00 H new ATOM 0 HA ALA A 18 2.687 -19.198 -16.346 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.728 -17.731 -14.562 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.263 -17.182 -16.190 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.096 -18.072 -15.184 1.00 25.00 H new ATOM 282 N GLU A 19 2.741 -20.777 -14.461 1.00 25.00 N ATOM 283 CA GLU A 19 2.815 -21.747 -13.368 1.00 25.00 C ATOM 284 C GLU A 19 3.052 -20.947 -12.091 1.00 25.00 C ATOM 285 O GLU A 19 2.472 -21.209 -11.048 1.00 25.00 O ATOM 286 CB GLU A 19 4.019 -22.678 -13.571 1.00 25.00 C ATOM 287 CG GLU A 19 3.949 -23.569 -14.831 1.00 25.00 C ATOM 288 CD GLU A 19 2.988 -24.756 -14.678 1.00 25.00 C ATOM 289 OE1 GLU A 19 2.255 -24.855 -13.674 1.00 25.00 O ATOM 290 OE2 GLU A 19 3.035 -25.636 -15.556 1.00 25.00 O ATOM 0 H GLU A 19 3.647 -20.441 -14.788 1.00 25.00 H new ATOM 0 HA GLU A 19 1.903 -22.343 -13.325 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.923 -22.072 -13.623 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.115 -23.320 -12.695 1.00 25.00 H new ATOM 0 HG2 GLU A 19 3.635 -22.962 -15.680 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.947 -23.944 -15.059 1.00 25.00 H new ATOM 297 N SER A 20 3.922 -19.948 -12.203 1.00 25.00 N ATOM 298 CA SER A 20 4.212 -19.050 -11.105 1.00 25.00 C ATOM 299 C SER A 20 3.157 -17.925 -11.112 1.00 25.00 C ATOM 300 O SER A 20 2.675 -17.526 -12.168 1.00 25.00 O ATOM 301 CB SER A 20 5.611 -18.461 -11.287 1.00 25.00 C ATOM 302 OG SER A 20 5.894 -17.482 -10.296 1.00 25.00 O ATOM 0 H SER A 20 4.441 -19.744 -13.057 1.00 25.00 H new ATOM 0 HA SER A 20 4.179 -19.583 -10.155 1.00 25.00 H new ATOM 0 HB2 SER A 20 6.353 -19.258 -11.235 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.693 -18.013 -12.277 1.00 25.00 H new ATOM 0 HG SER A 20 6.796 -17.125 -10.437 1.00 25.00 H new ATOM 308 N PRO A 21 2.776 -17.372 -9.937 1.00 25.00 N ATOM 309 CA PRO A 21 1.845 -16.244 -9.959 1.00 25.00 C ATOM 310 C PRO A 21 2.483 -14.937 -10.458 1.00 25.00 C ATOM 311 O PRO A 21 1.790 -13.987 -10.772 1.00 25.00 O ATOM 312 CB PRO A 21 1.416 -16.152 -8.480 1.00 25.00 C ATOM 313 CG PRO A 21 2.608 -16.562 -7.730 1.00 25.00 C ATOM 314 CD PRO A 21 3.172 -17.711 -8.540 1.00 25.00 C ATOM 0 HA PRO A 21 1.018 -16.392 -10.653 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.110 -15.140 -8.217 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.570 -16.806 -8.270 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.325 -15.746 -7.642 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.355 -16.874 -6.717 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.254 -17.784 -8.435 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.756 -18.668 -8.225 1.00 25.00 H new ATOM 322 N ASP A 22 3.806 -14.898 -10.502 1.00 25.00 N ATOM 323 CA ASP A 22 4.535 -13.718 -11.004 1.00 25.00 C ATOM 324 C ASP A 22 4.556 -13.712 -12.525 1.00 25.00 C ATOM 325 O ASP A 22 4.848 -12.714 -13.149 1.00 25.00 O ATOM 326 CB ASP A 22 5.983 -13.777 -10.517 1.00 25.00 C ATOM 327 CG ASP A 22 6.242 -12.884 -9.328 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.567 -13.430 -8.259 1.00 25.00 O ATOM 329 OD2 ASP A 22 6.225 -11.638 -9.478 1.00 25.00 O ATOM 0 H ASP A 22 4.407 -15.664 -10.199 1.00 25.00 H new ATOM 0 HA ASP A 22 4.034 -12.822 -10.638 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.230 -14.805 -10.253 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.647 -13.489 -11.332 1.00 25.00 H new ATOM 334 N GLU A 23 4.297 -14.878 -13.093 1.00 25.00 N ATOM 335 CA GLU A 23 4.406 -15.096 -14.516 1.00 25.00 C ATOM 336 C GLU A 23 3.110 -14.737 -15.201 1.00 25.00 C ATOM 337 O GLU A 23 2.007 -14.787 -14.622 1.00 25.00 O ATOM 338 CB GLU A 23 4.759 -16.586 -14.740 1.00 25.00 C ATOM 339 CG GLU A 23 5.116 -16.997 -16.159 1.00 25.00 C ATOM 340 CD GLU A 23 5.578 -18.441 -16.173 1.00 25.00 C ATOM 341 OE1 GLU A 23 6.436 -18.792 -17.008 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.091 -19.232 -15.319 1.00 25.00 O ATOM 0 H GLU A 23 4.003 -15.703 -12.571 1.00 25.00 H new ATOM 0 HA GLU A 23 5.184 -14.463 -14.943 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.598 -16.838 -14.091 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.912 -17.189 -14.414 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.251 -16.876 -16.811 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.902 -16.350 -16.548 1.00 25.00 H new ATOM 349 N LEU A 24 3.190 -14.376 -16.468 1.00 25.00 N ATOM 350 CA LEU A 24 2.007 -14.044 -17.248 1.00 25.00 C ATOM 351 C LEU A 24 1.652 -15.181 -18.187 1.00 25.00 C ATOM 352 O LEU A 24 2.517 -15.714 -18.891 1.00 25.00 O ATOM 353 CB LEU A 24 2.287 -12.772 -18.058 1.00 25.00 C ATOM 354 CG LEU A 24 1.516 -11.500 -17.649 1.00 25.00 C ATOM 355 CD1 LEU A 24 2.038 -10.324 -18.431 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.007 -11.694 -17.918 1.00 25.00 C ATOM 0 H LEU A 24 4.067 -14.304 -16.984 1.00 25.00 H new ATOM 0 HA LEU A 24 1.167 -13.880 -16.573 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.354 -12.557 -17.994 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.066 -12.981 -19.105 1.00 25.00 H new ATOM 0 HG LEU A 24 1.661 -11.313 -16.585 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.494 -9.425 -18.143 1.00 25.00 H new ATOM 0 HD12 LEU A 24 3.099 -10.189 -18.221 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.900 -10.506 -19.497 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.546 -10.792 -17.627 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.168 -11.886 -18.979 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.374 -12.540 -17.336 1.00 25.00 H new ATOM 368 N SER A 25 0.367 -15.488 -18.267 1.00 25.00 N ATOM 369 CA SER A 25 -0.132 -16.389 -19.290 1.00 25.00 C ATOM 370 C SER A 25 -0.338 -15.502 -20.493 1.00 25.00 C ATOM 371 O SER A 25 -1.042 -14.494 -20.404 1.00 25.00 O ATOM 372 CB SER A 25 -1.474 -17.017 -18.894 1.00 25.00 C ATOM 373 OG SER A 25 -1.326 -17.880 -17.797 1.00 25.00 O ATOM 0 H SER A 25 -0.348 -15.126 -17.636 1.00 25.00 H new ATOM 0 HA SER A 25 0.558 -17.215 -19.461 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.188 -16.231 -18.648 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.885 -17.567 -19.740 1.00 25.00 H new ATOM 0 HG SER A 25 -2.196 -18.265 -17.564 1.00 25.00 H new ATOM 379 N PHE A 26 0.263 -15.853 -21.617 1.00 25.00 N ATOM 380 CA PHE A 26 0.099 -15.096 -22.859 1.00 25.00 C ATOM 381 C PHE A 26 -0.062 -16.118 -23.953 1.00 25.00 C ATOM 382 O PHE A 26 0.300 -17.274 -23.782 1.00 25.00 O ATOM 383 CB PHE A 26 1.311 -14.189 -23.133 1.00 25.00 C ATOM 384 CG PHE A 26 2.636 -14.918 -23.138 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.394 -15.032 -21.949 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.153 -15.462 -24.327 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.667 -15.631 -21.949 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.419 -16.090 -24.341 1.00 25.00 C ATOM 389 CZ PHE A 26 5.181 -16.143 -23.132 1.00 25.00 C ATOM 0 H PHE A 26 0.876 -16.664 -21.701 1.00 25.00 H new ATOM 0 HA PHE A 26 -0.766 -14.435 -22.798 1.00 25.00 H new ATOM 0 HB2 PHE A 26 1.174 -13.698 -24.097 1.00 25.00 H new ATOM 0 HB3 PHE A 26 1.343 -13.404 -22.377 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.988 -14.652 -21.023 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.577 -15.399 -25.238 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.240 -15.692 -21.035 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.805 -16.524 -25.252 1.00 25.00 H new ATOM 0 HZ PHE A 26 6.166 -16.586 -23.140 1.00 25.00 H new ATOM 399 N ARG A 27 -0.632 -15.727 -25.083 1.00 25.00 N ATOM 400 CA ARG A 27 -0.836 -16.667 -26.199 1.00 25.00 C ATOM 401 C ARG A 27 -0.222 -16.182 -27.468 1.00 25.00 C ATOM 402 O ARG A 27 -0.120 -14.989 -27.707 1.00 25.00 O ATOM 403 CB ARG A 27 -2.339 -16.946 -26.396 1.00 25.00 C ATOM 404 CG ARG A 27 -2.969 -17.691 -25.215 1.00 25.00 C ATOM 405 CD ARG A 27 -4.361 -18.166 -25.527 1.00 25.00 C ATOM 406 NE ARG A 27 -5.282 -17.036 -25.611 1.00 25.00 N ATOM 407 CZ ARG A 27 -6.605 -17.126 -25.640 1.00 25.00 C ATOM 408 NH1 ARG A 27 -7.243 -18.271 -25.626 1.00 25.00 N ATOM 409 NH2 ARG A 27 -7.330 -16.043 -25.686 1.00 25.00 N ATOM 0 H ARG A 27 -0.962 -14.778 -25.260 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.331 -17.597 -25.936 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.862 -16.001 -26.543 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.478 -17.532 -27.304 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.345 -18.545 -24.951 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.996 -17.035 -24.345 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.362 -18.714 -26.469 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.696 -18.859 -24.755 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.875 -16.102 -25.651 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -6.720 -19.146 -25.591 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -8.263 -18.287 -25.650 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.880 -15.128 -25.700 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -8.347 -16.111 -25.708 1.00 25.00 H new ATOM 423 N LYS A 28 0.148 -17.125 -28.307 1.00 25.00 N ATOM 424 CA LYS A 28 0.731 -16.811 -29.615 1.00 25.00 C ATOM 425 C LYS A 28 -0.210 -15.922 -30.457 1.00 25.00 C ATOM 426 O LYS A 28 -1.366 -16.269 -30.690 1.00 25.00 O ATOM 427 CB LYS A 28 1.054 -18.119 -30.379 1.00 25.00 C ATOM 428 CG LYS A 28 -0.088 -19.148 -30.397 1.00 25.00 C ATOM 429 CD LYS A 28 0.316 -20.387 -31.145 1.00 25.00 C ATOM 430 CE LYS A 28 -0.820 -21.394 -31.137 1.00 25.00 C ATOM 431 NZ LYS A 28 -0.450 -22.653 -31.855 1.00 25.00 N ATOM 0 H LYS A 28 0.059 -18.123 -28.115 1.00 25.00 H new ATOM 0 HA LYS A 28 1.652 -16.254 -29.446 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.316 -17.869 -31.407 1.00 25.00 H new ATOM 0 HB3 LYS A 28 1.933 -18.580 -29.929 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.363 -19.409 -29.375 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.971 -18.709 -30.863 1.00 25.00 H new ATOM 0 HD2 LYS A 28 0.579 -20.132 -32.172 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.203 -20.824 -30.688 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -1.091 -21.629 -30.108 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -1.700 -20.953 -31.606 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -1.251 -23.316 -31.828 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 -0.216 -22.433 -32.844 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.374 -23.087 -31.393 1.00 25.00 H new ATOM 445 N GLY A 29 0.301 -14.773 -30.868 1.00 25.00 N ATOM 446 CA GLY A 29 -0.435 -13.805 -31.674 1.00 25.00 C ATOM 447 C GLY A 29 -0.902 -12.588 -30.897 1.00 25.00 C ATOM 448 O GLY A 29 -1.321 -11.606 -31.519 1.00 25.00 O ATOM 0 H GLY A 29 1.253 -14.479 -30.649 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.198 -13.477 -32.498 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.302 -14.298 -32.114 1.00 25.00 H new ATOM 452 N ASP A 30 -0.830 -12.659 -29.574 1.00 25.00 N ATOM 453 CA ASP A 30 -1.321 -11.584 -28.703 1.00 25.00 C ATOM 454 C ASP A 30 -0.310 -10.434 -28.585 1.00 25.00 C ATOM 455 O ASP A 30 0.877 -10.630 -28.867 1.00 25.00 O ATOM 456 CB ASP A 30 -1.630 -12.152 -27.314 1.00 25.00 C ATOM 457 CG ASP A 30 -2.832 -11.522 -26.679 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.349 -10.499 -27.178 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.298 -12.090 -25.671 1.00 25.00 O ATOM 0 H ASP A 30 -0.434 -13.454 -29.072 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.228 -11.178 -29.150 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.790 -13.227 -27.394 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.765 -12.006 -26.667 1.00 25.00 H new ATOM 464 N ILE A 31 -0.783 -9.256 -28.177 1.00 25.00 N ATOM 465 CA ILE A 31 0.055 -8.057 -28.022 1.00 25.00 C ATOM 466 C ILE A 31 0.017 -7.601 -26.572 1.00 25.00 C ATOM 467 O ILE A 31 -1.042 -7.584 -25.951 1.00 25.00 O ATOM 468 CB ILE A 31 -0.470 -6.902 -28.931 1.00 25.00 C ATOM 469 CG1 ILE A 31 -0.589 -7.370 -30.411 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.432 -5.640 -28.836 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.735 -7.743 -31.129 1.00 25.00 C ATOM 0 H ILE A 31 -1.764 -9.101 -27.942 1.00 25.00 H new ATOM 0 HA ILE A 31 1.076 -8.304 -28.314 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.462 -6.632 -28.568 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.250 -8.236 -30.443 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.075 -6.578 -30.981 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.034 -4.858 -29.483 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.452 -5.284 -27.806 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.444 -5.892 -29.152 1.00 25.00 H new ATOM 0 HD11 ILE A 31 0.520 -8.052 -32.152 1.00 25.00 H new ATOM 0 HD12 ILE A 31 1.397 -6.877 -31.144 1.00 25.00 H new ATOM 0 HD13 ILE A 31 1.219 -8.562 -30.597 1.00 25.00 H new ATOM 483 N MET A 32 1.161 -7.227 -26.006 1.00 25.00 N ATOM 484 CA MET A 32 1.256 -6.755 -24.621 1.00 25.00 C ATOM 485 C MET A 32 2.310 -5.667 -24.485 1.00 25.00 C ATOM 486 O MET A 32 3.267 -5.623 -25.270 1.00 25.00 O ATOM 487 CB MET A 32 1.585 -7.934 -23.690 1.00 25.00 C ATOM 488 CG MET A 32 2.817 -8.736 -24.107 1.00 25.00 C ATOM 489 SD MET A 32 2.598 -10.527 -23.885 1.00 25.00 S ATOM 490 CE MET A 32 1.441 -10.875 -25.233 1.00 25.00 C ATOM 0 H MET A 32 2.056 -7.242 -26.495 1.00 25.00 H new ATOM 0 HA MET A 32 0.294 -6.329 -24.336 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.738 -7.553 -22.680 1.00 25.00 H new ATOM 0 HB3 MET A 32 0.725 -8.603 -23.652 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.043 -8.529 -25.153 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.676 -8.404 -23.523 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.269 -11.949 -25.296 1.00 25.00 H new ATOM 0 HE2 MET A 32 0.496 -10.367 -25.042 1.00 25.00 H new ATOM 0 HE3 MET A 32 1.861 -10.519 -26.174 1.00 25.00 H new ATOM 500 N THR A 33 2.123 -4.775 -23.515 1.00 25.00 N ATOM 501 CA THR A 33 3.057 -3.664 -23.292 1.00 25.00 C ATOM 502 C THR A 33 4.242 -4.115 -22.472 1.00 25.00 C ATOM 503 O THR A 33 4.062 -4.757 -21.442 1.00 25.00 O ATOM 504 CB THR A 33 2.347 -2.550 -22.506 1.00 25.00 C ATOM 505 OG1 THR A 33 1.106 -2.239 -23.138 1.00 25.00 O ATOM 506 CG2 THR A 33 3.172 -1.290 -22.470 1.00 25.00 C ATOM 0 H THR A 33 1.334 -4.796 -22.869 1.00 25.00 H new ATOM 0 HA THR A 33 3.395 -3.308 -24.265 1.00 25.00 H new ATOM 0 HB THR A 33 2.194 -2.910 -21.489 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.652 -1.530 -22.636 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.641 -0.523 -21.907 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.129 -1.495 -21.990 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.344 -0.939 -23.487 1.00 25.00 H new ATOM 514 N VAL A 34 5.462 -3.794 -22.879 1.00 25.00 N ATOM 515 CA VAL A 34 6.637 -4.097 -22.084 1.00 25.00 C ATOM 516 C VAL A 34 6.892 -2.924 -21.136 1.00 25.00 C ATOM 517 O VAL A 34 6.984 -1.774 -21.563 1.00 25.00 O ATOM 518 CB VAL A 34 7.872 -4.391 -22.966 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.117 -4.573 -22.119 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.658 -5.657 -23.805 1.00 25.00 C ATOM 0 H VAL A 34 5.661 -3.321 -23.761 1.00 25.00 H new ATOM 0 HA VAL A 34 6.457 -5.005 -21.508 1.00 25.00 H new ATOM 0 HB VAL A 34 8.005 -3.534 -23.626 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.970 -4.779 -22.766 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.305 -3.664 -21.548 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.972 -5.408 -21.433 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.541 -5.842 -24.417 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.490 -6.507 -23.144 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.791 -5.523 -24.451 1.00 25.00 H new ATOM 530 N LEU A 35 6.910 -3.208 -19.840 1.00 25.00 N ATOM 531 CA LEU A 35 7.070 -2.180 -18.824 1.00 25.00 C ATOM 532 C LEU A 35 8.550 -2.015 -18.459 1.00 25.00 C ATOM 533 O LEU A 35 9.090 -0.900 -18.458 1.00 25.00 O ATOM 534 CB LEU A 35 6.281 -2.537 -17.579 1.00 25.00 C ATOM 535 CG LEU A 35 4.764 -2.817 -17.697 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.219 -2.920 -16.291 1.00 25.00 C ATOM 537 CD2 LEU A 35 3.986 -1.717 -18.458 1.00 25.00 C ATOM 0 H LEU A 35 6.815 -4.152 -19.467 1.00 25.00 H new ATOM 0 HA LEU A 35 6.693 -1.241 -19.229 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.744 -3.421 -17.140 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.409 -1.723 -16.866 1.00 25.00 H new ATOM 0 HG LEU A 35 4.633 -3.735 -18.270 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.148 -3.118 -16.330 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.719 -3.733 -15.765 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.396 -1.983 -15.763 1.00 25.00 H new ATOM 0 HD21 LEU A 35 2.930 -1.982 -18.501 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.101 -0.765 -17.939 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.379 -1.628 -19.471 1.00 25.00 H new ATOM 549 N GLU A 36 9.183 -3.138 -18.148 1.00 25.00 N ATOM 550 CA GLU A 36 10.573 -3.173 -17.674 1.00 25.00 C ATOM 551 C GLU A 36 11.229 -4.326 -18.401 1.00 25.00 C ATOM 552 O GLU A 36 10.532 -5.168 -18.956 1.00 25.00 O ATOM 553 CB GLU A 36 10.543 -3.408 -16.146 1.00 25.00 C ATOM 554 CG GLU A 36 11.837 -3.096 -15.387 1.00 25.00 C ATOM 555 CD GLU A 36 12.148 -1.578 -15.344 1.00 25.00 C ATOM 556 OE1 GLU A 36 13.315 -1.196 -15.637 1.00 25.00 O ATOM 557 OE2 GLU A 36 11.235 -0.786 -15.043 1.00 25.00 O ATOM 0 H GLU A 36 8.750 -4.059 -18.216 1.00 25.00 H new ATOM 0 HA GLU A 36 11.123 -2.252 -17.865 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.743 -2.802 -15.722 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.283 -4.451 -15.965 1.00 25.00 H new ATOM 0 HG2 GLU A 36 11.758 -3.476 -14.369 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.667 -3.621 -15.860 1.00 25.00 H new ATOM 564 N ARG A 37 12.558 -4.395 -18.418 1.00 25.00 N ATOM 565 CA ARG A 37 13.281 -5.521 -19.002 1.00 25.00 C ATOM 566 C ARG A 37 14.333 -5.994 -18.021 1.00 25.00 C ATOM 567 O ARG A 37 14.866 -5.177 -17.287 1.00 25.00 O ATOM 568 CB ARG A 37 13.950 -5.111 -20.311 1.00 25.00 C ATOM 569 CG ARG A 37 12.952 -4.783 -21.442 1.00 25.00 C ATOM 570 CD ARG A 37 13.624 -4.613 -22.759 1.00 25.00 C ATOM 571 NE ARG A 37 14.605 -3.516 -22.713 1.00 25.00 N ATOM 572 CZ ARG A 37 15.482 -3.226 -23.678 1.00 25.00 C ATOM 573 NH1 ARG A 37 15.530 -3.899 -24.813 1.00 25.00 N ATOM 574 NH2 ARG A 37 16.316 -2.232 -23.510 1.00 25.00 N ATOM 0 H ARG A 37 13.163 -3.673 -18.028 1.00 25.00 H new ATOM 0 HA ARG A 37 12.576 -6.325 -19.212 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.579 -4.240 -20.130 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.607 -5.916 -20.640 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.213 -5.581 -21.514 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.411 -3.870 -21.192 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.123 -5.541 -23.039 1.00 25.00 H new ATOM 0 HD3 ARG A 37 12.879 -4.407 -23.528 1.00 25.00 H new ATOM 0 HE ARG A 37 14.616 -2.931 -21.878 1.00 25.00 H new ATOM 0 HH11 ARG A 37 14.883 -4.670 -24.976 1.00 25.00 H new ATOM 0 HH12 ARG A 37 16.214 -3.648 -25.526 1.00 25.00 H new ATOM 0 HH21 ARG A 37 16.293 -1.687 -22.648 1.00 25.00 H new ATOM 0 HH22 ARG A 37 16.990 -2.002 -24.241 1.00 25.00 H new ATOM 588 N ASP A 38 14.612 -7.293 -18.052 1.00 25.00 N ATOM 589 CA ASP A 38 15.567 -7.985 -17.157 1.00 25.00 C ATOM 590 C ASP A 38 15.152 -7.711 -15.719 1.00 25.00 C ATOM 591 O ASP A 38 15.953 -7.525 -14.823 1.00 25.00 O ATOM 592 CB ASP A 38 17.012 -7.611 -17.527 1.00 25.00 C ATOM 593 CG ASP A 38 17.295 -7.821 -19.003 1.00 25.00 C ATOM 594 OD1 ASP A 38 18.008 -6.997 -19.601 1.00 25.00 O ATOM 595 OD2 ASP A 38 16.652 -8.723 -19.609 1.00 25.00 O ATOM 0 H ASP A 38 14.171 -7.925 -18.720 1.00 25.00 H new ATOM 0 HA ASP A 38 15.540 -9.068 -17.279 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.194 -6.568 -17.268 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.704 -8.211 -16.936 1.00 25.00 H new ATOM 600 N THR A 39 13.827 -7.720 -15.547 1.00 25.00 N ATOM 601 CA THR A 39 13.147 -7.386 -14.287 1.00 25.00 C ATOM 602 C THR A 39 13.361 -8.376 -13.147 1.00 25.00 C ATOM 603 O THR A 39 13.050 -8.073 -11.996 1.00 25.00 O ATOM 604 CB THR A 39 11.617 -7.249 -14.571 1.00 25.00 C ATOM 605 OG1 THR A 39 10.958 -6.739 -13.406 1.00 25.00 O ATOM 606 CG2 THR A 39 10.977 -8.614 -14.932 1.00 25.00 C ATOM 0 H THR A 39 13.180 -7.965 -16.296 1.00 25.00 H new ATOM 0 HA THR A 39 13.593 -6.453 -13.942 1.00 25.00 H new ATOM 0 HB THR A 39 11.499 -6.571 -15.416 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.502 -6.928 -12.613 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.912 -8.478 -15.123 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.457 -9.016 -15.824 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.111 -9.309 -14.103 1.00 25.00 H new ATOM 614 N GLN A 40 13.888 -9.553 -13.449 1.00 25.00 N ATOM 615 CA GLN A 40 14.121 -10.583 -12.434 1.00 25.00 C ATOM 616 C GLN A 40 15.634 -10.732 -12.173 1.00 25.00 C ATOM 617 O GLN A 40 16.060 -11.593 -11.411 1.00 25.00 O ATOM 618 CB GLN A 40 13.523 -11.903 -12.893 1.00 25.00 C ATOM 619 CG GLN A 40 12.240 -12.252 -12.204 1.00 25.00 C ATOM 620 CD GLN A 40 12.295 -13.612 -11.568 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.909 -14.591 -12.184 1.00 25.00 O ATOM 622 NE2 GLN A 40 12.767 -13.692 -10.373 1.00 25.00 N ATOM 0 H GLN A 40 14.165 -9.825 -14.392 1.00 25.00 H new ATOM 0 HA GLN A 40 13.638 -10.288 -11.503 1.00 25.00 H new ATOM 0 HB2 GLN A 40 13.348 -11.859 -13.968 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.247 -12.700 -12.720 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.023 -11.504 -11.442 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.422 -12.221 -12.924 1.00 25.00 H new ATOM 0 HE21 GLN A 40 13.080 -12.849 -9.891 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.828 -14.598 -9.908 1.00 25.00 H new ATOM 631 N GLY A 41 16.442 -9.943 -12.874 1.00 25.00 N ATOM 632 CA GLY A 41 17.894 -10.057 -12.815 1.00 25.00 C ATOM 633 C GLY A 41 18.354 -11.090 -13.817 1.00 25.00 C ATOM 634 O GLY A 41 19.545 -11.263 -14.070 1.00 25.00 O ATOM 0 H GLY A 41 16.109 -9.208 -13.498 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.355 -9.093 -13.031 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.208 -10.342 -11.811 1.00 25.00 H new ATOM 638 N LEU A 42 17.389 -11.780 -14.408 1.00 25.00 N ATOM 639 CA LEU A 42 17.622 -12.774 -15.445 1.00 25.00 C ATOM 640 C LEU A 42 17.541 -12.050 -16.756 1.00 25.00 C ATOM 641 O LEU A 42 16.478 -11.517 -17.107 1.00 25.00 O ATOM 642 CB LEU A 42 16.570 -13.888 -15.425 1.00 25.00 C ATOM 643 CG LEU A 42 16.558 -14.812 -14.191 1.00 25.00 C ATOM 644 CD1 LEU A 42 15.344 -15.750 -14.333 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.873 -15.643 -14.065 1.00 25.00 C ATOM 0 H LEU A 42 16.403 -11.662 -14.175 1.00 25.00 H new ATOM 0 HA LEU A 42 18.591 -13.246 -15.285 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.586 -13.427 -15.514 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.714 -14.507 -16.311 1.00 25.00 H new ATOM 0 HG LEU A 42 16.488 -14.208 -13.286 1.00 25.00 H new ATOM 0 HD11 LEU A 42 15.301 -16.422 -13.476 1.00 25.00 H new ATOM 0 HD12 LEU A 42 14.430 -15.158 -14.376 1.00 25.00 H new ATOM 0 HD13 LEU A 42 15.441 -16.335 -15.248 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.818 -16.279 -13.181 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.997 -16.264 -14.952 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.723 -14.967 -13.974 1.00 25.00 H new ATOM 657 N ASP A 43 18.638 -12.020 -17.488 1.00 25.00 N ATOM 658 CA ASP A 43 18.653 -11.368 -18.791 1.00 25.00 C ATOM 659 C ASP A 43 17.686 -12.105 -19.667 1.00 25.00 C ATOM 660 O ASP A 43 17.576 -13.344 -19.651 1.00 25.00 O ATOM 661 CB ASP A 43 20.057 -11.365 -19.423 1.00 25.00 C ATOM 662 CG ASP A 43 20.959 -10.298 -18.819 1.00 25.00 C ATOM 663 OD1 ASP A 43 22.171 -10.375 -19.098 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.500 -9.439 -18.050 1.00 25.00 O ATOM 0 H ASP A 43 19.527 -12.435 -17.209 1.00 25.00 H new ATOM 0 HA ASP A 43 18.367 -10.322 -18.679 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.516 -12.345 -19.288 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.970 -11.199 -20.497 1.00 25.00 H new ATOM 669 N GLY A 44 16.934 -11.338 -20.441 1.00 25.00 N ATOM 670 CA GLY A 44 15.966 -11.888 -21.372 1.00 25.00 C ATOM 671 C GLY A 44 14.568 -12.042 -20.778 1.00 25.00 C ATOM 672 O GLY A 44 13.681 -12.512 -21.485 1.00 25.00 O ATOM 0 H GLY A 44 16.979 -10.319 -20.440 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.910 -11.243 -22.249 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.316 -12.862 -21.714 1.00 25.00 H new ATOM 676 N TRP A 45 14.340 -11.668 -19.522 1.00 25.00 N ATOM 677 CA TRP A 45 12.994 -11.741 -18.920 1.00 25.00 C ATOM 678 C TRP A 45 12.409 -10.346 -18.703 1.00 25.00 C ATOM 679 O TRP A 45 12.949 -9.540 -17.941 1.00 25.00 O ATOM 680 CB TRP A 45 13.031 -12.541 -17.618 1.00 25.00 C ATOM 681 CG TRP A 45 13.006 -14.010 -17.872 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.048 -14.820 -18.186 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.856 -14.875 -17.835 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.653 -16.109 -18.347 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.306 -16.184 -18.140 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.492 -14.674 -17.566 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.438 -17.292 -18.174 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.610 -15.791 -17.588 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.102 -17.088 -17.898 1.00 25.00 C ATOM 0 H TRP A 45 15.062 -11.311 -18.896 1.00 25.00 H new ATOM 0 HA TRP A 45 12.337 -12.262 -19.616 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.930 -12.284 -17.058 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.179 -12.265 -16.997 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.068 -14.481 -18.295 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.262 -16.892 -18.584 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.118 -13.685 -17.345 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 11.809 -18.278 -18.411 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.562 -15.652 -17.368 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.420 -17.925 -17.918 1.00 25.00 H new ATOM 700 N TRP A 46 11.318 -10.026 -19.385 1.00 25.00 N ATOM 701 CA TRP A 46 10.741 -8.690 -19.375 1.00 25.00 C ATOM 702 C TRP A 46 9.406 -8.641 -18.607 1.00 25.00 C ATOM 703 O TRP A 46 8.618 -9.585 -18.662 1.00 25.00 O ATOM 704 CB TRP A 46 10.527 -8.233 -20.810 1.00 25.00 C ATOM 705 CG TRP A 46 11.758 -8.283 -21.669 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.051 -8.501 -21.301 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.799 -8.120 -23.105 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.888 -8.505 -22.381 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.149 -8.283 -23.512 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.822 -7.879 -24.089 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.535 -8.250 -24.867 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.205 -7.845 -25.445 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.556 -8.045 -25.821 1.00 25.00 C ATOM 0 H TRP A 46 10.805 -10.691 -19.964 1.00 25.00 H new ATOM 0 HA TRP A 46 11.435 -8.024 -18.862 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.756 -8.855 -21.265 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.147 -7.211 -20.800 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.375 -8.652 -20.282 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.897 -8.650 -22.350 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.791 -7.722 -23.808 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.568 -8.381 -25.152 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.460 -7.664 -26.206 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.825 -8.037 -26.867 1.00 25.00 H new ATOM 724 N LEU A 47 9.166 -7.536 -17.926 1.00 25.00 N ATOM 725 CA LEU A 47 7.900 -7.325 -17.236 1.00 25.00 C ATOM 726 C LEU A 47 6.931 -6.816 -18.300 1.00 25.00 C ATOM 727 O LEU A 47 7.201 -5.813 -18.934 1.00 25.00 O ATOM 728 CB LEU A 47 8.087 -6.247 -16.147 1.00 25.00 C ATOM 729 CG LEU A 47 6.951 -6.075 -15.147 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.787 -7.323 -14.283 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.272 -4.876 -14.245 1.00 25.00 C ATOM 0 H LEU A 47 9.830 -6.767 -17.834 1.00 25.00 H new ATOM 0 HA LEU A 47 7.536 -8.235 -16.759 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.996 -6.479 -15.592 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.252 -5.290 -16.642 1.00 25.00 H new ATOM 0 HG LEU A 47 6.021 -5.912 -15.692 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.969 -7.173 -13.578 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.565 -8.179 -14.919 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.710 -7.509 -13.734 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.468 -4.739 -13.522 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.208 -5.059 -13.716 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.369 -3.978 -14.855 1.00 25.00 H new ATOM 743 N CYS A 48 5.821 -7.502 -18.507 1.00 25.00 N ATOM 744 CA CYS A 48 4.805 -7.076 -19.459 1.00 25.00 C ATOM 745 C CYS A 48 3.498 -6.860 -18.725 1.00 25.00 C ATOM 746 O CYS A 48 3.329 -7.385 -17.637 1.00 25.00 O ATOM 747 CB CYS A 48 4.632 -8.138 -20.537 1.00 25.00 C ATOM 748 SG CYS A 48 6.139 -8.345 -21.508 1.00 25.00 S ATOM 0 H CYS A 48 5.597 -8.370 -18.021 1.00 25.00 H new ATOM 0 HA CYS A 48 5.112 -6.144 -19.933 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.363 -9.087 -20.074 1.00 25.00 H new ATOM 0 HB3 CYS A 48 3.809 -7.859 -21.195 1.00 25.00 H new ATOM 0 HG CYS A 48 5.851 -8.914 -22.641 1.00 25.00 H new ATOM 754 N SER A 49 2.575 -6.125 -19.331 1.00 25.00 N ATOM 755 CA SER A 49 1.243 -5.878 -18.772 1.00 25.00 C ATOM 756 C SER A 49 0.172 -6.277 -19.792 1.00 25.00 C ATOM 757 O SER A 49 0.295 -5.971 -21.004 1.00 25.00 O ATOM 758 CB SER A 49 1.076 -4.407 -18.357 1.00 25.00 C ATOM 759 OG SER A 49 -0.274 -4.116 -17.989 1.00 25.00 O ATOM 0 H SER A 49 2.727 -5.677 -20.234 1.00 25.00 H new ATOM 0 HA SER A 49 1.126 -6.487 -17.875 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.738 -4.187 -17.519 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.377 -3.759 -19.180 1.00 25.00 H new ATOM 0 HG SER A 49 -0.346 -3.174 -17.729 1.00 25.00 H new ATOM 765 N LEU A 50 -0.832 -7.005 -19.297 1.00 25.00 N ATOM 766 CA LEU A 50 -1.927 -7.546 -20.105 1.00 25.00 C ATOM 767 C LEU A 50 -3.099 -7.892 -19.183 1.00 25.00 C ATOM 768 O LEU A 50 -2.876 -8.419 -18.100 1.00 25.00 O ATOM 769 CB LEU A 50 -1.440 -8.835 -20.790 1.00 25.00 C ATOM 770 CG LEU A 50 -2.379 -9.486 -21.815 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.503 -8.639 -23.056 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.876 -10.870 -22.218 1.00 25.00 C ATOM 0 H LEU A 50 -0.908 -7.239 -18.307 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.241 -6.816 -20.851 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.496 -8.616 -21.289 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -1.227 -9.570 -20.014 1.00 25.00 H new ATOM 0 HG LEU A 50 -3.355 -9.576 -21.338 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -3.174 -9.126 -23.763 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.903 -7.661 -22.790 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.521 -8.517 -23.513 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -2.560 -11.308 -22.945 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.884 -10.782 -22.661 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.825 -11.509 -21.337 1.00 25.00 H new ATOM 784 N HIS A 51 -4.334 -7.592 -19.592 1.00 25.00 N ATOM 785 CA HIS A 51 -5.527 -7.941 -18.813 1.00 25.00 C ATOM 786 C HIS A 51 -5.510 -7.331 -17.389 1.00 25.00 C ATOM 787 O HIS A 51 -5.972 -7.929 -16.435 1.00 25.00 O ATOM 788 CB HIS A 51 -5.715 -9.467 -18.763 1.00 25.00 C ATOM 789 CG HIS A 51 -7.075 -9.906 -18.318 1.00 25.00 C ATOM 790 ND1 HIS A 51 -8.206 -9.825 -19.090 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.502 -10.417 -17.125 1.00 25.00 C ATOM 792 CE1 HIS A 51 -9.235 -10.266 -18.367 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.855 -10.651 -17.159 1.00 25.00 N ATOM 0 H HIS A 51 -4.536 -7.104 -20.465 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.383 -7.502 -19.326 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -5.519 -9.878 -19.753 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.971 -9.891 -18.089 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.865 -10.610 -16.274 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -10.254 -10.305 -18.723 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -9.439 -11.037 -16.417 1.00 25.00 H new ATOM 801 N GLY A 52 -4.954 -6.128 -17.264 1.00 25.00 N ATOM 802 CA GLY A 52 -4.932 -5.437 -15.986 1.00 25.00 C ATOM 803 C GLY A 52 -3.928 -6.001 -15.002 1.00 25.00 C ATOM 804 O GLY A 52 -3.837 -5.525 -13.884 1.00 25.00 O ATOM 0 H GLY A 52 -4.516 -5.617 -18.030 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.707 -4.384 -16.157 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -5.926 -5.482 -15.542 1.00 25.00 H new ATOM 808 N ARG A 53 -3.164 -7.002 -15.411 1.00 25.00 N ATOM 809 CA ARG A 53 -2.151 -7.656 -14.589 1.00 25.00 C ATOM 810 C ARG A 53 -0.848 -7.350 -15.254 1.00 25.00 C ATOM 811 O ARG A 53 -0.829 -7.049 -16.444 1.00 25.00 O ATOM 812 CB ARG A 53 -2.366 -9.153 -14.570 1.00 25.00 C ATOM 813 CG ARG A 53 -3.716 -9.587 -14.024 1.00 25.00 C ATOM 814 CD ARG A 53 -3.863 -11.106 -14.097 1.00 25.00 C ATOM 815 NE ARG A 53 -5.249 -11.551 -13.785 1.00 25.00 N ATOM 816 CZ ARG A 53 -5.724 -11.759 -12.572 1.00 25.00 C ATOM 817 NH1 ARG A 53 -4.974 -11.636 -11.495 1.00 25.00 N ATOM 818 NH2 ARG A 53 -6.969 -12.111 -12.456 1.00 25.00 N ATOM 0 H ARG A 53 -3.231 -7.395 -16.350 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.188 -7.307 -13.557 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.258 -9.536 -15.585 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.580 -9.613 -13.970 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.820 -9.255 -12.991 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.515 -9.111 -14.593 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -3.589 -11.449 -15.095 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.168 -11.571 -13.398 1.00 25.00 H new ATOM 0 HE ARG A 53 -5.881 -11.707 -14.570 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -3.993 -11.372 -11.584 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -5.375 -11.805 -10.572 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -7.548 -12.219 -13.289 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -7.367 -12.280 -11.532 1.00 25.00 H new ATOM 832 N GLN A 54 0.246 -7.471 -14.532 1.00 25.00 N ATOM 833 CA GLN A 54 1.559 -7.295 -15.096 1.00 25.00 C ATOM 834 C GLN A 54 2.352 -8.432 -14.477 1.00 25.00 C ATOM 835 O GLN A 54 2.077 -8.811 -13.363 1.00 25.00 O ATOM 836 CB GLN A 54 2.110 -5.895 -14.804 1.00 25.00 C ATOM 837 CG GLN A 54 2.084 -5.502 -13.335 1.00 25.00 C ATOM 838 CD GLN A 54 2.321 -4.036 -13.115 1.00 25.00 C ATOM 839 OE1 GLN A 54 1.598 -3.190 -13.615 1.00 25.00 O ATOM 840 NE2 GLN A 54 3.337 -3.728 -12.367 1.00 25.00 N ATOM 0 H GLN A 54 0.245 -7.694 -13.537 1.00 25.00 H new ATOM 0 HA GLN A 54 1.592 -7.342 -16.185 1.00 25.00 H new ATOM 0 HB2 GLN A 54 3.137 -5.840 -15.164 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.534 -5.165 -15.373 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.119 -5.776 -12.908 1.00 25.00 H new ATOM 0 HG3 GLN A 54 2.843 -6.071 -12.799 1.00 25.00 H new ATOM 0 HE21 GLN A 54 3.918 -4.465 -11.967 1.00 25.00 H new ATOM 0 HE22 GLN A 54 3.554 -2.749 -12.179 1.00 25.00 H new ATOM 849 N GLY A 55 3.253 -9.000 -15.252 1.00 25.00 N ATOM 850 CA GLY A 55 3.986 -10.167 -14.814 1.00 25.00 C ATOM 851 C GLY A 55 5.126 -10.444 -15.767 1.00 25.00 C ATOM 852 O GLY A 55 5.282 -9.725 -16.752 1.00 25.00 O ATOM 0 H GLY A 55 3.494 -8.672 -16.187 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.372 -10.008 -13.807 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.321 -11.029 -14.768 1.00 25.00 H new ATOM 856 N ILE A 56 5.947 -11.419 -15.429 1.00 25.00 N ATOM 857 CA ILE A 56 7.168 -11.685 -16.175 1.00 25.00 C ATOM 858 C ILE A 56 6.910 -12.543 -17.409 1.00 25.00 C ATOM 859 O ILE A 56 6.081 -13.466 -17.399 1.00 25.00 O ATOM 860 CB ILE A 56 8.247 -12.339 -15.259 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.818 -13.731 -14.772 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.485 -11.416 -14.037 1.00 25.00 C ATOM 863 CD1 ILE A 56 8.893 -14.468 -14.033 1.00 25.00 C ATOM 0 H ILE A 56 5.792 -12.045 -14.639 1.00 25.00 H new ATOM 0 HA ILE A 56 7.548 -10.725 -16.524 1.00 25.00 H new ATOM 0 HB ILE A 56 9.162 -12.461 -15.839 1.00 25.00 H new ATOM 0 HG12 ILE A 56 6.949 -13.627 -14.123 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.506 -14.326 -15.630 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.238 -11.861 -13.386 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.831 -10.441 -14.380 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.553 -11.296 -13.484 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.517 -15.442 -13.720 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.755 -14.604 -14.686 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.190 -13.894 -13.155 1.00 25.00 H new ATOM 875 N VAL A 57 7.609 -12.182 -18.472 1.00 25.00 N ATOM 876 CA VAL A 57 7.469 -12.820 -19.782 1.00 25.00 C ATOM 877 C VAL A 57 8.875 -12.983 -20.412 1.00 25.00 C ATOM 878 O VAL A 57 9.643 -12.010 -20.477 1.00 25.00 O ATOM 879 CB VAL A 57 6.582 -11.919 -20.750 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.557 -12.507 -22.191 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.167 -11.811 -20.265 1.00 25.00 C ATOM 0 H VAL A 57 8.298 -11.430 -18.456 1.00 25.00 H new ATOM 0 HA VAL A 57 6.987 -13.789 -19.653 1.00 25.00 H new ATOM 0 HB VAL A 57 7.039 -10.929 -20.756 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.944 -11.873 -22.832 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.573 -12.548 -22.585 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.136 -13.512 -22.167 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.593 -11.189 -20.952 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.722 -12.805 -20.218 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.156 -11.361 -19.272 1.00 25.00 H new ATOM 891 N PRO A 58 9.210 -14.184 -20.921 1.00 25.00 N ATOM 892 CA PRO A 58 10.518 -14.226 -21.596 1.00 25.00 C ATOM 893 C PRO A 58 10.544 -13.425 -22.876 1.00 25.00 C ATOM 894 O PRO A 58 9.856 -13.740 -23.841 1.00 25.00 O ATOM 895 CB PRO A 58 10.718 -15.719 -21.843 1.00 25.00 C ATOM 896 CG PRO A 58 9.315 -16.278 -21.918 1.00 25.00 C ATOM 897 CD PRO A 58 8.526 -15.479 -20.946 1.00 25.00 C ATOM 0 HA PRO A 58 11.314 -13.775 -21.003 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.268 -15.899 -22.767 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.288 -16.182 -21.038 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.908 -16.187 -22.925 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.299 -17.337 -21.662 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.488 -15.377 -21.262 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.515 -15.945 -19.961 1.00 25.00 H new ATOM 905 N GLY A 59 11.405 -12.424 -22.927 1.00 25.00 N ATOM 906 CA GLY A 59 11.535 -11.571 -24.107 1.00 25.00 C ATOM 907 C GLY A 59 12.115 -12.263 -25.304 1.00 25.00 C ATOM 908 O GLY A 59 11.906 -11.811 -26.419 1.00 25.00 O ATOM 0 H GLY A 59 12.031 -12.176 -22.161 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.552 -11.179 -24.369 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.163 -10.716 -23.856 1.00 25.00 H new ATOM 912 N ASN A 60 12.749 -13.408 -25.091 1.00 25.00 N ATOM 913 CA ASN A 60 13.243 -14.212 -26.222 1.00 25.00 C ATOM 914 C ASN A 60 12.075 -14.761 -27.033 1.00 25.00 C ATOM 915 O ASN A 60 12.252 -15.211 -28.159 1.00 25.00 O ATOM 916 CB ASN A 60 14.139 -15.357 -25.711 1.00 25.00 C ATOM 917 CG ASN A 60 15.362 -14.842 -24.963 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.790 -13.724 -25.172 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.884 -15.637 -24.050 1.00 25.00 N ATOM 0 H ASN A 60 12.935 -13.803 -24.169 1.00 25.00 H new ATOM 0 HA ASN A 60 13.840 -13.573 -26.873 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.559 -16.004 -25.053 1.00 25.00 H new ATOM 0 HB3 ASN A 60 14.462 -15.967 -26.554 1.00 25.00 H new ATOM 0 HD21 ASN A 60 16.675 -15.320 -23.490 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.497 -16.569 -23.904 1.00 25.00 H new ATOM 926 N ARG A 61 10.874 -14.723 -26.465 1.00 25.00 N ATOM 927 CA ARG A 61 9.679 -15.195 -27.172 1.00 25.00 C ATOM 928 C ARG A 61 8.851 -14.033 -27.738 1.00 25.00 C ATOM 929 O ARG A 61 7.716 -14.241 -28.166 1.00 25.00 O ATOM 930 CB ARG A 61 8.791 -16.011 -26.228 1.00 25.00 C ATOM 931 CG ARG A 61 9.459 -17.267 -25.662 1.00 25.00 C ATOM 932 CD ARG A 61 8.420 -18.256 -25.074 1.00 25.00 C ATOM 933 NE ARG A 61 9.021 -19.419 -24.429 1.00 25.00 N ATOM 934 CZ ARG A 61 8.339 -20.454 -23.901 1.00 25.00 C ATOM 935 NH1 ARG A 61 7.032 -20.553 -23.955 1.00 25.00 N ATOM 936 NH2 ARG A 61 9.004 -21.398 -23.302 1.00 25.00 N ATOM 0 H ARG A 61 10.698 -14.373 -25.523 1.00 25.00 H new ATOM 0 HA ARG A 61 10.024 -15.814 -28.000 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.480 -15.374 -25.400 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.887 -16.304 -26.761 1.00 25.00 H new ATOM 0 HG2 ARG A 61 10.028 -17.762 -26.449 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.170 -16.983 -24.886 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.799 -17.729 -24.349 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.760 -18.594 -25.873 1.00 25.00 H new ATOM 0 HE ARG A 61 10.039 -19.451 -24.373 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.484 -19.825 -24.413 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.564 -21.358 -23.539 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.021 -21.345 -23.239 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.509 -22.191 -22.895 1.00 25.00 H new ATOM 950 N LEU A 62 9.380 -12.819 -27.687 1.00 25.00 N ATOM 951 CA LEU A 62 8.665 -11.605 -28.047 1.00 25.00 C ATOM 952 C LEU A 62 9.318 -10.890 -29.243 1.00 25.00 C ATOM 953 O LEU A 62 10.532 -10.889 -29.423 1.00 25.00 O ATOM 954 CB LEU A 62 8.615 -10.658 -26.848 1.00 25.00 C ATOM 955 CG LEU A 62 7.759 -11.040 -25.615 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.851 -9.904 -24.572 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.293 -11.267 -25.991 1.00 25.00 C ATOM 0 H LEU A 62 10.340 -12.648 -27.387 1.00 25.00 H new ATOM 0 HA LEU A 62 7.654 -11.890 -28.338 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.639 -10.512 -26.503 1.00 25.00 H new ATOM 0 HB3 LEU A 62 8.259 -9.693 -27.208 1.00 25.00 H new ATOM 0 HG LEU A 62 8.146 -11.973 -25.205 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.252 -10.162 -23.699 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.890 -9.769 -24.272 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.476 -8.978 -25.008 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.726 -11.533 -25.099 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.883 -10.354 -26.423 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.225 -12.076 -26.719 1.00 25.00 H new ATOM 969 N LYS A 63 8.488 -10.210 -30.029 1.00 25.00 N ATOM 970 CA LYS A 63 8.984 -9.371 -31.142 1.00 25.00 C ATOM 971 C LYS A 63 8.527 -7.959 -30.886 1.00 25.00 C ATOM 972 O LYS A 63 7.335 -7.712 -30.750 1.00 25.00 O ATOM 973 CB LYS A 63 8.439 -9.873 -32.492 1.00 25.00 C ATOM 974 CG LYS A 63 9.090 -9.178 -33.680 1.00 25.00 C ATOM 975 CD LYS A 63 8.618 -9.728 -35.019 1.00 25.00 C ATOM 976 CE LYS A 63 9.448 -9.130 -36.161 1.00 25.00 C ATOM 977 NZ LYS A 63 8.987 -9.627 -37.504 1.00 25.00 N ATOM 0 H LYS A 63 7.473 -10.216 -29.926 1.00 25.00 H new ATOM 0 HA LYS A 63 10.072 -9.420 -31.192 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.604 -10.948 -32.569 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.361 -9.712 -32.527 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.873 -8.111 -33.634 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.172 -9.286 -33.610 1.00 25.00 H new ATOM 0 HD2 LYS A 63 8.707 -10.814 -35.026 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.564 -9.494 -35.165 1.00 25.00 H new ATOM 0 HE2 LYS A 63 9.377 -8.043 -36.132 1.00 25.00 H new ATOM 0 HE3 LYS A 63 10.498 -9.385 -36.020 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 9.572 -9.201 -38.251 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 9.078 -10.662 -37.541 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 7.992 -9.362 -37.649 1.00 25.00 H new ATOM 991 N ILE A 64 9.484 -7.047 -30.776 1.00 25.00 N ATOM 992 CA ILE A 64 9.183 -5.624 -30.524 1.00 25.00 C ATOM 993 C ILE A 64 8.409 -5.029 -31.727 1.00 25.00 C ATOM 994 O ILE A 64 8.727 -5.338 -32.893 1.00 25.00 O ATOM 995 CB ILE A 64 10.502 -4.839 -30.300 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.188 -5.315 -28.988 1.00 25.00 C ATOM 997 CG2 ILE A 64 10.229 -3.319 -30.263 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.431 -4.968 -27.678 1.00 25.00 C ATOM 0 H ILE A 64 10.479 -7.257 -30.856 1.00 25.00 H new ATOM 0 HA ILE A 64 8.565 -5.542 -29.630 1.00 25.00 H new ATOM 0 HB ILE A 64 11.177 -5.037 -31.133 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.318 -6.396 -29.037 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.185 -4.876 -28.939 1.00 25.00 H new ATOM 0 HG21 ILE A 64 11.166 -2.785 -30.105 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.788 -3.005 -31.209 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.541 -3.093 -29.449 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.993 -5.344 -26.823 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.324 -3.886 -27.595 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.444 -5.430 -27.695 1.00 25.00 H new