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= -0.156 X(o=-0.16,f=-0.23) 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= 0.639 K(o=0.64,f=-1.5!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.103 USER MOD Single : A 25 SER OG : rot 28:sc= 0.198 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -179:sc= -0.63 (180deg=-0.633) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -36:sc= 0.289 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot -140:sc= -0.452 USER MOD Single : A 49 SER OG : rot 27:sc= -0.0397 USER MOD Single : A 51 HIS : no HE2:sc= 0.315 K(o=0.32,f=-1.5) USER MOD Single : A 54 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.3) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.253 1.961 -19.800 1.00 25.00 N ATOM 81 CA LEU A 6 9.792 1.712 -21.147 1.00 25.00 C ATOM 82 C LEU A 6 8.759 2.008 -22.227 1.00 25.00 C ATOM 83 O LEU A 6 9.085 2.583 -23.261 1.00 25.00 O ATOM 84 CB LEU A 6 10.247 0.246 -21.272 1.00 25.00 C ATOM 85 CG LEU A 6 11.677 -0.134 -20.834 1.00 25.00 C ATOM 86 CD1 LEU A 6 12.699 0.439 -21.822 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.028 0.327 -19.426 1.00 25.00 C ATOM 0 HA LEU A 6 10.642 2.380 -21.289 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.553 -0.364 -20.694 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.134 -0.045 -22.316 1.00 25.00 H new ATOM 0 HG LEU A 6 11.712 -1.223 -20.830 1.00 25.00 H new ATOM 0 HD11 LEU A 6 13.705 0.165 -21.504 1.00 25.00 H new ATOM 0 HD12 LEU A 6 12.510 0.035 -22.816 1.00 25.00 H new ATOM 0 HD13 LEU A 6 12.610 1.525 -21.849 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.048 0.024 -19.188 1.00 25.00 H new ATOM 0 HD22 LEU A 6 11.949 1.413 -19.368 1.00 25.00 H new ATOM 0 HD23 LEU A 6 11.339 -0.126 -18.713 1.00 25.00 H new ATOM 99 N ASN A 7 7.518 1.622 -21.963 1.00 25.00 N ATOM 100 CA ASN A 7 6.370 1.919 -22.840 1.00 25.00 C ATOM 101 C ASN A 7 6.580 1.534 -24.313 1.00 25.00 C ATOM 102 O ASN A 7 6.199 2.261 -25.224 1.00 25.00 O ATOM 103 CB ASN A 7 6.012 3.406 -22.732 1.00 25.00 C ATOM 104 CG ASN A 7 4.623 3.701 -23.237 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.658 3.082 -22.819 1.00 25.00 O ATOM 106 ND2 ASN A 7 4.511 4.650 -24.127 1.00 25.00 N ATOM 0 H ASN A 7 7.267 1.089 -21.130 1.00 25.00 H new ATOM 0 HA ASN A 7 5.549 1.295 -22.487 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.092 3.721 -21.692 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.734 3.993 -23.300 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.593 4.896 -24.497 1.00 25.00 H new ATOM 0 HD22 ASN A 7 5.342 5.145 -24.452 1.00 25.00 H new ATOM 113 N VAL A 8 7.137 0.355 -24.539 1.00 25.00 N ATOM 114 CA VAL A 8 7.262 -0.204 -25.876 1.00 25.00 C ATOM 115 C VAL A 8 6.409 -1.452 -25.805 1.00 25.00 C ATOM 116 O VAL A 8 6.039 -1.864 -24.721 1.00 25.00 O ATOM 117 CB VAL A 8 8.736 -0.511 -26.257 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.531 0.793 -26.418 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.409 -1.414 -25.209 1.00 25.00 C ATOM 0 H VAL A 8 7.515 -0.241 -23.802 1.00 25.00 H new ATOM 0 HA VAL A 8 6.938 0.486 -26.655 1.00 25.00 H new ATOM 0 HB VAL A 8 8.729 -1.043 -27.208 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.562 0.560 -26.685 1.00 25.00 H new ATOM 0 HG12 VAL A 8 9.081 1.399 -27.204 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.516 1.347 -25.479 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.439 -1.610 -25.505 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.399 -0.916 -24.239 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.866 -2.357 -25.139 1.00 25.00 H new ATOM 129 N LEU A 9 6.047 -2.036 -26.929 1.00 25.00 N ATOM 130 CA LEU A 9 5.138 -3.175 -26.921 1.00 25.00 C ATOM 131 C LEU A 9 5.621 -4.238 -27.871 1.00 25.00 C ATOM 132 O LEU A 9 6.463 -3.983 -28.737 1.00 25.00 O ATOM 133 CB LEU A 9 3.712 -2.741 -27.280 1.00 25.00 C ATOM 134 CG LEU A 9 3.543 -1.922 -28.568 1.00 25.00 C ATOM 135 CD1 LEU A 9 2.258 -2.335 -29.266 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.506 -0.428 -28.244 1.00 25.00 C ATOM 0 H LEU A 9 6.363 -1.747 -27.855 1.00 25.00 H new ATOM 0 HA LEU A 9 5.121 -3.590 -25.913 1.00 25.00 H new ATOM 0 HB2 LEU A 9 3.095 -3.636 -27.362 1.00 25.00 H new ATOM 0 HB3 LEU A 9 3.316 -2.156 -26.450 1.00 25.00 H new ATOM 0 HG LEU A 9 4.390 -2.114 -29.227 1.00 25.00 H new ATOM 0 HD11 LEU A 9 2.138 -1.754 -30.180 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.303 -3.396 -29.513 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.410 -2.152 -28.606 1.00 25.00 H new ATOM 0 HD21 LEU A 9 3.386 0.141 -29.166 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.669 -0.221 -27.578 1.00 25.00 H new ATOM 0 HD23 LEU A 9 4.437 -0.138 -27.757 1.00 25.00 H new ATOM 148 N ALA A 10 5.127 -5.445 -27.670 1.00 25.00 N ATOM 149 CA ALA A 10 5.571 -6.593 -28.430 1.00 25.00 C ATOM 150 C ALA A 10 4.405 -7.513 -28.753 1.00 25.00 C ATOM 151 O ALA A 10 3.362 -7.461 -28.109 1.00 25.00 O ATOM 152 CB ALA A 10 6.626 -7.350 -27.616 1.00 25.00 C ATOM 0 H ALA A 10 4.409 -5.655 -26.977 1.00 25.00 H new ATOM 0 HA ALA A 10 6.001 -6.252 -29.372 1.00 25.00 H new ATOM 0 HB1 ALA A 10 6.967 -8.218 -28.180 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.472 -6.692 -27.415 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.190 -7.679 -26.673 1.00 25.00 H new ATOM 158 N LYS A 11 4.628 -8.392 -29.719 1.00 25.00 N ATOM 159 CA LYS A 11 3.673 -9.449 -30.050 1.00 25.00 C ATOM 160 C LYS A 11 4.297 -10.757 -29.628 1.00 25.00 C ATOM 161 O LYS A 11 5.476 -10.998 -29.923 1.00 25.00 O ATOM 162 CB LYS A 11 3.379 -9.477 -31.550 1.00 25.00 C ATOM 163 CG LYS A 11 2.314 -10.514 -31.931 1.00 25.00 C ATOM 164 CD LYS A 11 1.969 -10.490 -33.411 1.00 25.00 C ATOM 165 CE LYS A 11 3.071 -11.137 -34.248 1.00 25.00 C ATOM 166 NZ LYS A 11 2.668 -11.180 -35.698 1.00 25.00 N ATOM 0 H LYS A 11 5.470 -8.396 -30.295 1.00 25.00 H new ATOM 0 HA LYS A 11 2.728 -9.274 -29.536 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.047 -8.489 -31.868 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.300 -9.694 -32.092 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.670 -11.509 -31.662 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.411 -10.330 -31.349 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.028 -11.015 -33.576 1.00 25.00 H new ATOM 0 HD3 LYS A 11 1.820 -9.460 -33.735 1.00 25.00 H new ATOM 0 HE2 LYS A 11 3.998 -10.575 -34.138 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.266 -12.147 -33.887 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.426 -11.622 -36.256 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 1.795 -11.735 -35.799 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.505 -10.212 -36.042 1.00 25.00 H new ATOM 180 N ALA A 12 3.532 -11.608 -28.964 1.00 25.00 N ATOM 181 CA ALA A 12 4.039 -12.903 -28.551 1.00 25.00 C ATOM 182 C ALA A 12 4.141 -13.814 -29.769 1.00 25.00 C ATOM 183 O ALA A 12 3.251 -13.860 -30.620 1.00 25.00 O ATOM 184 CB ALA A 12 3.130 -13.513 -27.497 1.00 25.00 C ATOM 0 H ALA A 12 2.563 -11.426 -28.701 1.00 25.00 H new ATOM 0 HA ALA A 12 5.030 -12.783 -28.112 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.522 -14.484 -27.196 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.086 -12.855 -26.629 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.128 -13.638 -27.908 1.00 25.00 H new ATOM 190 N LEU A 13 5.249 -14.525 -29.855 1.00 25.00 N ATOM 191 CA LEU A 13 5.505 -15.440 -30.961 1.00 25.00 C ATOM 192 C LEU A 13 5.079 -16.848 -30.569 1.00 25.00 C ATOM 193 O LEU A 13 4.759 -17.679 -31.420 1.00 25.00 O ATOM 194 CB LEU A 13 7.001 -15.438 -31.290 1.00 25.00 C ATOM 195 CG LEU A 13 7.609 -14.084 -31.691 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.122 -14.236 -31.837 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.996 -13.567 -33.006 1.00 25.00 C ATOM 0 H LEU A 13 5.998 -14.488 -29.164 1.00 25.00 H new ATOM 0 HA LEU A 13 4.937 -15.118 -31.834 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.543 -15.812 -30.421 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.174 -16.144 -32.102 1.00 25.00 H new ATOM 0 HG LEU A 13 7.386 -13.355 -30.912 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.558 -13.278 -32.121 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.548 -14.561 -30.888 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.341 -14.977 -32.606 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.445 -12.608 -33.265 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.188 -14.284 -33.804 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.920 -13.442 -32.882 1.00 25.00 H new ATOM 209 N TYR A 14 5.066 -17.094 -29.270 1.00 25.00 N ATOM 210 CA TYR A 14 4.707 -18.397 -28.721 1.00 25.00 C ATOM 211 C TYR A 14 3.651 -18.177 -27.658 1.00 25.00 C ATOM 212 O TYR A 14 3.471 -17.063 -27.183 1.00 25.00 O ATOM 213 CB TYR A 14 5.928 -19.070 -28.098 1.00 25.00 C ATOM 214 CG TYR A 14 7.092 -19.214 -29.051 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.245 -20.368 -29.849 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.055 -18.194 -29.158 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.340 -20.487 -30.750 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.148 -18.306 -30.045 1.00 25.00 C ATOM 219 CZ TYR A 14 9.282 -19.451 -30.840 1.00 25.00 C ATOM 220 OH TYR A 14 10.340 -19.547 -31.707 1.00 25.00 O ATOM 0 H TYR A 14 5.304 -16.398 -28.563 1.00 25.00 H new ATOM 0 HA TYR A 14 4.330 -19.043 -29.514 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.248 -18.492 -27.231 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.642 -20.057 -27.735 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.524 -21.169 -29.775 1.00 25.00 H new ATOM 0 HD2 TYR A 14 7.956 -17.307 -28.549 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.446 -21.371 -31.362 1.00 25.00 H new ATOM 0 HE2 TYR A 14 9.877 -17.512 -30.110 1.00 25.00 H new ATOM 0 HH TYR A 14 10.892 -18.740 -31.640 1.00 25.00 H new ATOM 230 N ASP A 15 2.957 -19.238 -27.302 1.00 25.00 N ATOM 231 CA ASP A 15 1.938 -19.211 -26.268 1.00 25.00 C ATOM 232 C ASP A 15 2.553 -19.768 -24.992 1.00 25.00 C ATOM 233 O ASP A 15 3.560 -20.472 -25.041 1.00 25.00 O ATOM 234 CB ASP A 15 0.727 -20.051 -26.701 1.00 25.00 C ATOM 235 CG ASP A 15 1.113 -21.458 -27.154 1.00 25.00 C ATOM 236 OD1 ASP A 15 0.622 -22.419 -26.546 1.00 25.00 O ATOM 237 OD2 ASP A 15 1.831 -21.595 -28.191 1.00 25.00 O ATOM 0 H ASP A 15 3.085 -20.156 -27.727 1.00 25.00 H new ATOM 0 HA ASP A 15 1.591 -18.192 -26.098 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.024 -20.122 -25.871 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.210 -19.542 -27.514 1.00 25.00 H new ATOM 242 N ASN A 16 1.981 -19.401 -23.854 1.00 25.00 N ATOM 243 CA ASN A 16 2.486 -19.839 -22.551 1.00 25.00 C ATOM 244 C ASN A 16 1.409 -19.798 -21.466 1.00 25.00 C ATOM 245 O ASN A 16 0.704 -18.798 -21.323 1.00 25.00 O ATOM 246 CB ASN A 16 3.606 -18.909 -22.103 1.00 25.00 C ATOM 247 CG ASN A 16 4.380 -19.466 -20.949 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.972 -20.528 -21.053 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.388 -18.762 -19.861 1.00 25.00 N ATOM 0 H ASN A 16 1.161 -18.797 -23.802 1.00 25.00 H new ATOM 0 HA ASN A 16 2.830 -20.866 -22.676 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.283 -18.730 -22.939 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.184 -17.944 -21.822 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.904 -19.090 -19.045 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.878 -17.880 -19.821 1.00 25.00 H new ATOM 256 N VAL A 17 1.341 -20.842 -20.656 1.00 25.00 N ATOM 257 CA VAL A 17 0.478 -20.862 -19.488 1.00 25.00 C ATOM 258 C VAL A 17 1.379 -20.569 -18.296 1.00 25.00 C ATOM 259 O VAL A 17 2.554 -20.903 -18.323 1.00 25.00 O ATOM 260 CB VAL A 17 -0.243 -22.225 -19.330 1.00 25.00 C ATOM 261 CG1 VAL A 17 -1.281 -22.400 -20.448 1.00 25.00 C ATOM 262 CG2 VAL A 17 0.753 -23.405 -19.354 1.00 25.00 C ATOM 0 H VAL A 17 1.881 -21.697 -20.790 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.316 -20.120 -19.577 1.00 25.00 H new ATOM 0 HB VAL A 17 -0.741 -22.226 -18.360 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -1.784 -23.360 -20.331 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -2.015 -21.596 -20.392 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -0.782 -22.368 -21.416 1.00 25.00 H new ATOM 0 HG21 VAL A 17 0.209 -24.343 -19.241 1.00 25.00 H new ATOM 0 HG22 VAL A 17 1.289 -23.409 -20.303 1.00 25.00 H new ATOM 0 HG23 VAL A 17 1.465 -23.297 -18.535 1.00 25.00 H new ATOM 272 N ALA A 18 0.847 -19.892 -17.291 1.00 25.00 N ATOM 273 CA ALA A 18 1.641 -19.502 -16.137 1.00 25.00 C ATOM 274 C ALA A 18 1.512 -20.547 -15.028 1.00 25.00 C ATOM 275 O ALA A 18 0.399 -20.949 -14.685 1.00 25.00 O ATOM 276 CB ALA A 18 1.166 -18.139 -15.630 1.00 25.00 C ATOM 0 H ALA A 18 -0.130 -19.601 -17.251 1.00 25.00 H new ATOM 0 HA ALA A 18 2.689 -19.434 -16.430 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.760 -17.845 -14.765 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.283 -17.396 -16.419 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.116 -18.203 -15.344 1.00 25.00 H new ATOM 282 N GLU A 19 2.636 -20.937 -14.447 1.00 25.00 N ATOM 283 CA GLU A 19 2.640 -21.870 -13.311 1.00 25.00 C ATOM 284 C GLU A 19 2.845 -21.083 -12.018 1.00 25.00 C ATOM 285 O GLU A 19 2.749 -21.618 -10.914 1.00 25.00 O ATOM 286 CB GLU A 19 3.747 -22.917 -13.464 1.00 25.00 C ATOM 287 CG GLU A 19 3.535 -23.839 -14.654 1.00 25.00 C ATOM 288 CD GLU A 19 4.446 -25.063 -14.614 1.00 25.00 C ATOM 289 OE1 GLU A 19 5.244 -25.247 -15.559 1.00 25.00 O ATOM 290 OE2 GLU A 19 4.338 -25.863 -13.653 1.00 25.00 O ATOM 0 H GLU A 19 3.563 -20.626 -14.738 1.00 25.00 H new ATOM 0 HA GLU A 19 1.684 -22.392 -13.282 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.706 -22.410 -13.571 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.802 -23.515 -12.554 1.00 25.00 H new ATOM 0 HG2 GLU A 19 2.495 -24.165 -14.677 1.00 25.00 H new ATOM 0 HG3 GLU A 19 3.716 -23.285 -15.575 1.00 25.00 H new ATOM 297 N SER A 20 3.121 -19.797 -12.168 1.00 25.00 N ATOM 298 CA SER A 20 3.368 -18.914 -11.030 1.00 25.00 C ATOM 299 C SER A 20 2.502 -17.675 -11.158 1.00 25.00 C ATOM 300 O SER A 20 2.238 -17.223 -12.268 1.00 25.00 O ATOM 301 CB SER A 20 4.837 -18.499 -11.030 1.00 25.00 C ATOM 302 OG SER A 20 5.111 -17.584 -9.982 1.00 25.00 O ATOM 0 H SER A 20 3.181 -19.334 -13.075 1.00 25.00 H new ATOM 0 HA SER A 20 3.129 -19.434 -10.103 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.467 -19.382 -10.920 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.089 -18.045 -11.988 1.00 25.00 H new ATOM 0 HG SER A 20 6.059 -17.336 -10.004 1.00 25.00 H new ATOM 308 N PRO A 21 2.073 -17.077 -10.028 1.00 25.00 N ATOM 309 CA PRO A 21 1.294 -15.844 -10.189 1.00 25.00 C ATOM 310 C PRO A 21 2.131 -14.658 -10.679 1.00 25.00 C ATOM 311 O PRO A 21 1.584 -13.661 -11.143 1.00 25.00 O ATOM 312 CB PRO A 21 0.773 -15.593 -8.776 1.00 25.00 C ATOM 313 CG PRO A 21 1.822 -16.156 -7.897 1.00 25.00 C ATOM 314 CD PRO A 21 2.241 -17.417 -8.598 1.00 25.00 C ATOM 0 HA PRO A 21 0.516 -15.948 -10.945 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.625 -14.529 -8.589 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -0.188 -16.082 -8.613 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.658 -15.467 -7.781 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.438 -16.363 -6.898 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.272 -17.684 -8.365 1.00 25.00 H new ATOM 0 HD3 PRO A 21 1.619 -18.264 -8.309 1.00 25.00 H new ATOM 322 N ASP A 22 3.448 -14.775 -10.563 1.00 25.00 N ATOM 323 CA ASP A 22 4.378 -13.728 -10.992 1.00 25.00 C ATOM 324 C ASP A 22 4.631 -13.815 -12.490 1.00 25.00 C ATOM 325 O ASP A 22 5.167 -12.895 -13.105 1.00 25.00 O ATOM 326 CB ASP A 22 5.711 -13.915 -10.272 1.00 25.00 C ATOM 327 CG ASP A 22 5.567 -13.840 -8.770 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.596 -12.720 -8.221 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.392 -14.903 -8.134 1.00 25.00 O ATOM 0 H ASP A 22 3.905 -15.597 -10.169 1.00 25.00 H new ATOM 0 HA ASP A 22 3.940 -12.759 -10.754 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.137 -14.880 -10.546 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.412 -13.150 -10.606 1.00 25.00 H new ATOM 334 N GLU A 23 4.267 -14.944 -13.071 1.00 25.00 N ATOM 335 CA GLU A 23 4.450 -15.194 -14.492 1.00 25.00 C ATOM 336 C GLU A 23 3.183 -14.778 -15.226 1.00 25.00 C ATOM 337 O GLU A 23 2.078 -15.012 -14.735 1.00 25.00 O ATOM 338 CB GLU A 23 4.699 -16.683 -14.688 1.00 25.00 C ATOM 339 CG GLU A 23 5.123 -17.058 -16.080 1.00 25.00 C ATOM 340 CD GLU A 23 5.290 -18.558 -16.246 1.00 25.00 C ATOM 341 OE1 GLU A 23 4.887 -19.323 -15.333 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.800 -18.978 -17.310 1.00 25.00 O ATOM 0 H GLU A 23 3.833 -15.719 -12.569 1.00 25.00 H new ATOM 0 HA GLU A 23 5.295 -14.627 -14.882 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.468 -17.007 -13.986 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.789 -17.228 -14.438 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.383 -16.696 -16.793 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.064 -16.561 -16.317 1.00 25.00 H new ATOM 349 N LEU A 24 3.316 -14.177 -16.395 1.00 25.00 N ATOM 350 CA LEU A 24 2.136 -13.810 -17.167 1.00 25.00 C ATOM 351 C LEU A 24 1.762 -14.938 -18.115 1.00 25.00 C ATOM 352 O LEU A 24 2.603 -15.448 -18.848 1.00 25.00 O ATOM 353 CB LEU A 24 2.375 -12.532 -17.973 1.00 25.00 C ATOM 354 CG LEU A 24 1.385 -11.392 -17.682 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.760 -10.181 -18.503 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.072 -11.775 -17.978 1.00 25.00 C ATOM 0 H LEU A 24 4.208 -13.935 -16.826 1.00 25.00 H new ATOM 0 HA LEU A 24 1.322 -13.631 -16.465 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.386 -12.177 -17.773 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.327 -12.774 -19.035 1.00 25.00 H new ATOM 0 HG LEU A 24 1.451 -11.174 -16.616 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.059 -9.371 -18.298 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.769 -9.862 -18.242 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.723 -10.434 -19.563 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.723 -10.930 -17.753 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.172 -12.040 -19.031 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.357 -12.627 -17.361 1.00 25.00 H new ATOM 368 N SER A 25 0.492 -15.291 -18.137 1.00 25.00 N ATOM 369 CA SER A 25 -0.019 -16.234 -19.121 1.00 25.00 C ATOM 370 C SER A 25 -0.325 -15.400 -20.360 1.00 25.00 C ATOM 371 O SER A 25 -0.937 -14.336 -20.246 1.00 25.00 O ATOM 372 CB SER A 25 -1.293 -16.892 -18.598 1.00 25.00 C ATOM 373 OG SER A 25 -2.216 -15.898 -18.178 1.00 25.00 O ATOM 0 H SER A 25 -0.209 -14.940 -17.485 1.00 25.00 H new ATOM 0 HA SER A 25 0.694 -17.030 -19.336 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.740 -17.509 -19.378 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.055 -17.554 -17.765 1.00 25.00 H new ATOM 0 HG SER A 25 -2.068 -15.076 -18.691 1.00 25.00 H new ATOM 379 N PHE A 26 0.101 -15.857 -21.525 1.00 25.00 N ATOM 380 CA PHE A 26 -0.103 -15.111 -22.767 1.00 25.00 C ATOM 381 C PHE A 26 -0.204 -16.090 -23.917 1.00 25.00 C ATOM 382 O PHE A 26 0.124 -17.259 -23.777 1.00 25.00 O ATOM 383 CB PHE A 26 1.047 -14.119 -23.011 1.00 25.00 C ATOM 384 CG PHE A 26 2.414 -14.756 -23.030 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.175 -14.817 -21.852 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.956 -15.283 -24.221 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.458 -15.412 -21.845 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.253 -15.869 -24.228 1.00 25.00 C ATOM 389 CZ PHE A 26 5.000 -15.932 -23.037 1.00 25.00 C ATOM 0 H PHE A 26 0.592 -16.743 -21.643 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.025 -14.536 -22.689 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.880 -13.612 -23.962 1.00 25.00 H new ATOM 0 HB3 PHE A 26 1.025 -13.355 -22.234 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.775 -14.404 -20.938 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.382 -15.241 -25.135 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.022 -15.468 -20.926 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.663 -16.265 -25.145 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.984 -16.377 -23.037 1.00 25.00 H new ATOM 399 N ARG A 27 -0.666 -15.627 -25.067 1.00 25.00 N ATOM 400 CA ARG A 27 -0.805 -16.512 -26.218 1.00 25.00 C ATOM 401 C ARG A 27 -0.106 -15.938 -27.416 1.00 25.00 C ATOM 402 O ARG A 27 0.024 -14.732 -27.549 1.00 25.00 O ATOM 403 CB ARG A 27 -2.278 -16.743 -26.540 1.00 25.00 C ATOM 404 CG ARG A 27 -3.046 -17.396 -25.395 1.00 25.00 C ATOM 405 CD ARG A 27 -4.409 -17.851 -25.858 1.00 25.00 C ATOM 406 NE ARG A 27 -5.253 -16.711 -26.250 1.00 25.00 N ATOM 407 CZ ARG A 27 -6.475 -16.803 -26.761 1.00 25.00 C ATOM 408 NH1 ARG A 27 -7.068 -17.955 -26.965 1.00 25.00 N ATOM 409 NH2 ARG A 27 -7.115 -15.712 -27.073 1.00 25.00 N ATOM 0 H ARG A 27 -0.948 -14.660 -25.230 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.344 -17.467 -25.967 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.744 -15.789 -26.784 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.356 -17.372 -27.427 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.483 -18.248 -25.012 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.153 -16.689 -24.572 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.299 -18.531 -26.703 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.898 -18.410 -25.060 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.869 -15.775 -26.119 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -6.589 -18.824 -26.729 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -8.008 -17.982 -27.360 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.677 -14.803 -26.924 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -8.054 -15.767 -27.466 1.00 25.00 H new ATOM 423 N LYS A 28 0.319 -16.815 -28.303 1.00 25.00 N ATOM 424 CA LYS A 28 0.958 -16.387 -29.544 1.00 25.00 C ATOM 425 C LYS A 28 -0.009 -15.512 -30.332 1.00 25.00 C ATOM 426 O LYS A 28 -1.211 -15.774 -30.383 1.00 25.00 O ATOM 427 CB LYS A 28 1.423 -17.594 -30.368 1.00 25.00 C ATOM 428 CG LYS A 28 0.308 -18.461 -30.962 1.00 25.00 C ATOM 429 CD LYS A 28 0.748 -19.919 -31.099 1.00 25.00 C ATOM 430 CE LYS A 28 1.978 -20.105 -31.999 1.00 25.00 C ATOM 431 NZ LYS A 28 2.400 -21.546 -31.992 1.00 25.00 N ATOM 0 H LYS A 28 0.237 -17.826 -28.194 1.00 25.00 H new ATOM 0 HA LYS A 28 1.847 -15.802 -29.308 1.00 25.00 H new ATOM 0 HB2 LYS A 28 2.052 -17.234 -31.183 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.050 -18.223 -29.736 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.576 -18.404 -30.327 1.00 25.00 H new ATOM 0 HG3 LYS A 28 0.024 -18.072 -31.940 1.00 25.00 H new ATOM 0 HD2 LYS A 28 0.968 -20.318 -30.109 1.00 25.00 H new ATOM 0 HD3 LYS A 28 -0.079 -20.504 -31.502 1.00 25.00 H new ATOM 0 HE2 LYS A 28 1.747 -19.789 -33.016 1.00 25.00 H new ATOM 0 HE3 LYS A 28 2.796 -19.475 -31.648 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 3.233 -21.667 -32.603 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 2.638 -21.833 -31.021 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 1.622 -22.137 -32.347 1.00 25.00 H new ATOM 445 N GLY A 29 0.523 -14.446 -30.900 1.00 25.00 N ATOM 446 CA GLY A 29 -0.274 -13.498 -31.658 1.00 25.00 C ATOM 447 C GLY A 29 -0.854 -12.369 -30.822 1.00 25.00 C ATOM 448 O GLY A 29 -1.273 -11.362 -31.376 1.00 25.00 O ATOM 0 H GLY A 29 1.515 -14.213 -30.850 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.343 -13.071 -32.449 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.090 -14.032 -32.144 1.00 25.00 H new ATOM 452 N ASP A 30 -0.865 -12.528 -29.508 1.00 25.00 N ATOM 453 CA ASP A 30 -1.404 -11.508 -28.605 1.00 25.00 C ATOM 454 C ASP A 30 -0.402 -10.360 -28.457 1.00 25.00 C ATOM 455 O ASP A 30 0.794 -10.537 -28.743 1.00 25.00 O ATOM 456 CB ASP A 30 -1.703 -12.133 -27.236 1.00 25.00 C ATOM 457 CG ASP A 30 -2.881 -11.492 -26.543 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.469 -12.167 -25.670 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.261 -10.355 -26.895 1.00 25.00 O ATOM 0 H ASP A 30 -0.506 -13.357 -29.035 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.330 -11.112 -29.022 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.898 -13.198 -27.363 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.822 -12.044 -26.601 1.00 25.00 H new ATOM 464 N ILE A 31 -0.888 -9.202 -28.028 1.00 25.00 N ATOM 465 CA ILE A 31 -0.072 -7.988 -27.909 1.00 25.00 C ATOM 466 C ILE A 31 0.003 -7.563 -26.449 1.00 25.00 C ATOM 467 O ILE A 31 -1.020 -7.454 -25.778 1.00 25.00 O ATOM 468 CB ILE A 31 -0.707 -6.799 -28.716 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.008 -7.218 -30.174 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.214 -5.546 -28.672 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.207 -7.575 -31.018 1.00 25.00 C ATOM 0 H ILE A 31 -1.861 -9.072 -27.751 1.00 25.00 H new ATOM 0 HA ILE A 31 0.918 -8.215 -28.305 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.653 -6.537 -28.243 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.680 -8.076 -30.156 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.543 -6.404 -30.664 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.246 -4.736 -29.238 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.353 -5.233 -27.637 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.182 -5.790 -29.110 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.116 -7.854 -32.021 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.874 -6.715 -31.077 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.734 -8.412 -30.561 1.00 25.00 H new ATOM 483 N MET A 32 1.205 -7.302 -25.957 1.00 25.00 N ATOM 484 CA MET A 32 1.400 -6.857 -24.577 1.00 25.00 C ATOM 485 C MET A 32 2.418 -5.728 -24.514 1.00 25.00 C ATOM 486 O MET A 32 3.358 -5.672 -25.318 1.00 25.00 O ATOM 487 CB MET A 32 1.840 -8.025 -23.672 1.00 25.00 C ATOM 488 CG MET A 32 3.103 -8.794 -24.121 1.00 25.00 C ATOM 489 SD MET A 32 2.918 -9.809 -25.615 1.00 25.00 S ATOM 490 CE MET A 32 1.627 -10.965 -25.126 1.00 25.00 C ATOM 0 H MET A 32 2.068 -7.390 -26.494 1.00 25.00 H new ATOM 0 HA MET A 32 0.443 -6.485 -24.210 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.014 -7.635 -22.669 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.015 -8.733 -23.600 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.903 -8.074 -24.290 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.423 -9.439 -23.303 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.429 -11.657 -25.945 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.953 -11.525 -24.249 1.00 25.00 H new ATOM 0 HE3 MET A 32 0.717 -10.415 -24.888 1.00 25.00 H new ATOM 500 N THR A 33 2.223 -4.819 -23.572 1.00 25.00 N ATOM 501 CA THR A 33 3.143 -3.696 -23.400 1.00 25.00 C ATOM 502 C THR A 33 4.283 -4.153 -22.511 1.00 25.00 C ATOM 503 O THR A 33 4.048 -4.723 -21.449 1.00 25.00 O ATOM 504 CB THR A 33 2.440 -2.484 -22.738 1.00 25.00 C ATOM 505 OG1 THR A 33 1.268 -2.165 -23.491 1.00 25.00 O ATOM 506 CG2 THR A 33 3.334 -1.249 -22.713 1.00 25.00 C ATOM 0 H THR A 33 1.442 -4.832 -22.916 1.00 25.00 H new ATOM 0 HA THR A 33 3.505 -3.382 -24.379 1.00 25.00 H new ATOM 0 HB THR A 33 2.199 -2.759 -21.711 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.813 -1.400 -23.080 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.801 -0.424 -22.240 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.240 -1.467 -22.148 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.601 -0.972 -23.733 1.00 25.00 H new ATOM 514 N VAL A 34 5.509 -3.898 -22.936 1.00 25.00 N ATOM 515 CA VAL A 34 6.690 -4.209 -22.131 1.00 25.00 C ATOM 516 C VAL A 34 6.943 -2.973 -21.268 1.00 25.00 C ATOM 517 O VAL A 34 7.170 -1.868 -21.772 1.00 25.00 O ATOM 518 CB VAL A 34 7.931 -4.539 -23.006 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.193 -4.685 -22.139 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.705 -5.844 -23.798 1.00 25.00 C ATOM 0 H VAL A 34 5.719 -3.474 -23.840 1.00 25.00 H new ATOM 0 HA VAL A 34 6.517 -5.100 -21.527 1.00 25.00 H new ATOM 0 HB VAL A 34 8.072 -3.712 -23.702 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.047 -4.916 -22.776 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.379 -3.752 -21.607 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.049 -5.491 -21.419 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.585 -6.058 -24.405 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.534 -6.666 -23.103 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.836 -5.730 -24.446 1.00 25.00 H new ATOM 530 N LEU A 35 6.829 -3.161 -19.964 1.00 25.00 N ATOM 531 CA LEU A 35 6.950 -2.070 -19.010 1.00 25.00 C ATOM 532 C LEU A 35 8.382 -1.911 -18.540 1.00 25.00 C ATOM 533 O LEU A 35 8.847 -0.791 -18.337 1.00 25.00 O ATOM 534 CB LEU A 35 6.072 -2.355 -17.793 1.00 25.00 C ATOM 535 CG LEU A 35 4.561 -2.453 -18.042 1.00 25.00 C ATOM 536 CD1 LEU A 35 3.893 -2.864 -16.736 1.00 25.00 C ATOM 537 CD2 LEU A 35 3.983 -1.120 -18.533 1.00 25.00 C ATOM 0 H LEU A 35 6.651 -4.070 -19.537 1.00 25.00 H new ATOM 0 HA LEU A 35 6.634 -1.153 -19.507 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.405 -3.291 -17.345 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.245 -1.570 -17.057 1.00 25.00 H new ATOM 0 HG LEU A 35 4.372 -3.192 -18.821 1.00 25.00 H new ATOM 0 HD11 LEU A 35 2.816 -2.941 -16.887 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.284 -3.829 -16.415 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.100 -2.116 -15.970 1.00 25.00 H new ATOM 0 HD21 LEU A 35 2.911 -1.227 -18.699 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.159 -0.349 -17.783 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.468 -0.835 -19.467 1.00 25.00 H new ATOM 549 N GLU A 36 9.062 -3.033 -18.362 1.00 25.00 N ATOM 550 CA GLU A 36 10.435 -3.048 -17.862 1.00 25.00 C ATOM 551 C GLU A 36 11.150 -4.232 -18.511 1.00 25.00 C ATOM 552 O GLU A 36 10.496 -5.192 -18.919 1.00 25.00 O ATOM 553 CB GLU A 36 10.425 -3.183 -16.325 1.00 25.00 C ATOM 554 CG GLU A 36 11.781 -3.009 -15.660 1.00 25.00 C ATOM 555 CD GLU A 36 12.448 -1.709 -16.080 1.00 25.00 C ATOM 556 OE1 GLU A 36 13.230 -1.739 -17.060 1.00 25.00 O ATOM 557 OE2 GLU A 36 12.116 -0.649 -15.504 1.00 25.00 O ATOM 0 H GLU A 36 8.682 -3.959 -18.559 1.00 25.00 H new ATOM 0 HA GLU A 36 10.954 -2.122 -18.111 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.737 -2.444 -15.914 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.031 -4.165 -16.063 1.00 25.00 H new ATOM 0 HG2 GLU A 36 11.660 -3.023 -14.577 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.425 -3.849 -15.920 1.00 25.00 H new ATOM 564 N ARG A 37 12.473 -4.184 -18.605 1.00 25.00 N ATOM 565 CA ARG A 37 13.247 -5.293 -19.176 1.00 25.00 C ATOM 566 C ARG A 37 14.291 -5.749 -18.181 1.00 25.00 C ATOM 567 O ARG A 37 14.786 -4.955 -17.398 1.00 25.00 O ATOM 568 CB ARG A 37 13.931 -4.873 -20.479 1.00 25.00 C ATOM 569 CG ARG A 37 12.959 -4.635 -21.622 1.00 25.00 C ATOM 570 CD ARG A 37 13.680 -4.518 -22.967 1.00 25.00 C ATOM 571 NE ARG A 37 14.033 -3.126 -23.306 1.00 25.00 N ATOM 572 CZ ARG A 37 15.188 -2.528 -23.037 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.168 -3.117 -22.395 1.00 25.00 N ATOM 574 NH2 ARG A 37 15.363 -1.301 -23.434 1.00 25.00 N ATOM 0 H ARG A 37 13.037 -3.393 -18.295 1.00 25.00 H new ATOM 0 HA ARG A 37 12.562 -6.112 -19.396 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.503 -3.962 -20.303 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.643 -5.645 -20.772 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.241 -5.454 -21.665 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.392 -3.723 -21.433 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.587 -5.122 -22.942 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.045 -4.929 -23.752 1.00 25.00 H new ATOM 0 HE ARG A 37 13.326 -2.573 -23.791 1.00 25.00 H new ATOM 0 HH11 ARG A 37 16.063 -4.080 -22.077 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.035 -2.612 -22.214 1.00 25.00 H new ATOM 0 HH21 ARG A 37 14.621 -0.818 -23.941 1.00 25.00 H new ATOM 0 HH22 ARG A 37 16.242 -0.822 -23.238 1.00 25.00 H new ATOM 588 N ASP A 38 14.580 -7.046 -18.213 1.00 25.00 N ATOM 589 CA ASP A 38 15.579 -7.688 -17.343 1.00 25.00 C ATOM 590 C ASP A 38 15.179 -7.408 -15.894 1.00 25.00 C ATOM 591 O ASP A 38 15.981 -7.134 -15.006 1.00 25.00 O ATOM 592 CB ASP A 38 16.969 -7.201 -17.747 1.00 25.00 C ATOM 593 CG ASP A 38 17.158 -7.267 -19.261 1.00 25.00 C ATOM 594 OD1 ASP A 38 16.897 -8.355 -19.834 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.357 -6.208 -19.897 1.00 25.00 O ATOM 0 H ASP A 38 14.123 -7.697 -18.852 1.00 25.00 H new ATOM 0 HA ASP A 38 15.614 -8.772 -17.449 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.112 -6.176 -17.404 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.728 -7.810 -17.256 1.00 25.00 H new ATOM 600 N THR A 39 13.865 -7.454 -15.717 1.00 25.00 N ATOM 601 CA THR A 39 13.170 -6.936 -14.541 1.00 25.00 C ATOM 602 C THR A 39 13.373 -7.722 -13.256 1.00 25.00 C ATOM 603 O THR A 39 12.995 -7.263 -12.181 1.00 25.00 O ATOM 604 CB THR A 39 11.642 -6.913 -14.839 1.00 25.00 C ATOM 605 OG1 THR A 39 10.953 -6.213 -13.804 1.00 25.00 O ATOM 606 CG2 THR A 39 11.065 -8.341 -14.938 1.00 25.00 C ATOM 0 H THR A 39 13.234 -7.864 -16.406 1.00 25.00 H new ATOM 0 HA THR A 39 13.599 -5.949 -14.367 1.00 25.00 H new ATOM 0 HB THR A 39 11.502 -6.409 -15.795 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.380 -6.400 -12.942 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.996 -8.288 -15.147 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.565 -8.881 -15.742 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.225 -8.864 -13.995 1.00 25.00 H new ATOM 614 N GLN A 40 13.952 -8.908 -13.354 1.00 25.00 N ATOM 615 CA GLN A 40 14.158 -9.763 -12.187 1.00 25.00 C ATOM 616 C GLN A 40 15.648 -9.979 -11.955 1.00 25.00 C ATOM 617 O GLN A 40 16.052 -10.869 -11.215 1.00 25.00 O ATOM 618 CB GLN A 40 13.447 -11.107 -12.407 1.00 25.00 C ATOM 619 CG GLN A 40 12.539 -11.538 -11.248 1.00 25.00 C ATOM 620 CD GLN A 40 13.295 -11.769 -9.950 1.00 25.00 C ATOM 621 OE1 GLN A 40 13.355 -10.902 -9.096 1.00 25.00 O ATOM 622 NE2 GLN A 40 13.845 -12.942 -9.791 1.00 25.00 N ATOM 0 H GLN A 40 14.290 -9.305 -14.231 1.00 25.00 H new ATOM 0 HA GLN A 40 13.739 -9.280 -11.304 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.850 -11.044 -13.317 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.198 -11.880 -12.571 1.00 25.00 H new ATOM 0 HG2 GLN A 40 11.779 -10.774 -11.087 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.017 -12.454 -11.525 1.00 25.00 H new ATOM 0 HE21 GLN A 40 13.774 -13.643 -10.529 1.00 25.00 H new ATOM 0 HE22 GLN A 40 14.346 -13.158 -8.929 1.00 25.00 H new ATOM 631 N GLY A 41 16.469 -9.222 -12.677 1.00 25.00 N ATOM 632 CA GLY A 41 17.912 -9.429 -12.636 1.00 25.00 C ATOM 633 C GLY A 41 18.287 -10.592 -13.534 1.00 25.00 C ATOM 634 O GLY A 41 19.455 -10.898 -13.742 1.00 25.00 O ATOM 0 H GLY A 41 16.164 -8.467 -13.291 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.428 -8.525 -12.960 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.232 -9.629 -11.613 1.00 25.00 H new ATOM 638 N LEU A 42 17.264 -11.231 -14.081 1.00 25.00 N ATOM 639 CA LEU A 42 17.431 -12.337 -15.004 1.00 25.00 C ATOM 640 C LEU A 42 17.427 -11.742 -16.401 1.00 25.00 C ATOM 641 O LEU A 42 16.436 -11.138 -16.826 1.00 25.00 O ATOM 642 CB LEU A 42 16.280 -13.344 -14.862 1.00 25.00 C ATOM 643 CG LEU A 42 16.137 -14.046 -13.501 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.858 -14.886 -13.513 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.347 -14.933 -13.188 1.00 25.00 C ATOM 0 H LEU A 42 16.290 -10.993 -13.894 1.00 25.00 H new ATOM 0 HA LEU A 42 18.359 -12.871 -14.799 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.346 -12.825 -15.076 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.402 -14.110 -15.628 1.00 25.00 H new ATOM 0 HG LEU A 42 16.084 -13.286 -12.721 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.744 -15.390 -12.553 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.999 -14.238 -13.687 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.918 -15.629 -14.308 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.207 -15.411 -12.218 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.447 -15.698 -13.958 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.249 -14.322 -13.164 1.00 25.00 H new ATOM 657 N ASP A 43 18.544 -11.886 -17.090 1.00 25.00 N ATOM 658 CA ASP A 43 18.701 -11.337 -18.425 1.00 25.00 C ATOM 659 C ASP A 43 17.690 -11.986 -19.363 1.00 25.00 C ATOM 660 O ASP A 43 17.475 -13.208 -19.334 1.00 25.00 O ATOM 661 CB ASP A 43 20.131 -11.582 -18.916 1.00 25.00 C ATOM 662 CG ASP A 43 20.484 -10.737 -20.126 1.00 25.00 C ATOM 663 OD1 ASP A 43 20.304 -11.212 -21.265 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.969 -9.604 -19.935 1.00 25.00 O ATOM 0 H ASP A 43 19.364 -12.384 -16.743 1.00 25.00 H new ATOM 0 HA ASP A 43 18.520 -10.262 -18.407 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.831 -11.365 -18.109 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.250 -12.636 -19.166 1.00 25.00 H new ATOM 669 N GLY A 44 17.024 -11.165 -20.158 1.00 25.00 N ATOM 670 CA GLY A 44 16.043 -11.658 -21.107 1.00 25.00 C ATOM 671 C GLY A 44 14.634 -11.817 -20.567 1.00 25.00 C ATOM 672 O GLY A 44 13.750 -12.217 -21.321 1.00 25.00 O ATOM 0 H GLY A 44 17.146 -10.152 -20.164 1.00 25.00 H new ATOM 0 HA2 GLY A 44 16.013 -10.978 -21.958 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.380 -12.624 -21.483 1.00 25.00 H new ATOM 676 N TRP A 45 14.391 -11.515 -19.300 1.00 25.00 N ATOM 677 CA TRP A 45 13.034 -11.606 -18.732 1.00 25.00 C ATOM 678 C TRP A 45 12.416 -10.225 -18.605 1.00 25.00 C ATOM 679 O TRP A 45 12.933 -9.374 -17.895 1.00 25.00 O ATOM 680 CB TRP A 45 13.063 -12.284 -17.367 1.00 25.00 C ATOM 681 CG TRP A 45 13.137 -13.769 -17.488 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.249 -14.540 -17.573 1.00 25.00 C ATOM 683 CD2 TRP A 45 12.027 -14.688 -17.555 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.936 -15.864 -17.674 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.575 -16.000 -17.666 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.626 -14.533 -17.538 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.765 -17.149 -17.745 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.809 -15.686 -17.617 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.390 -16.983 -17.720 1.00 25.00 C ATOM 0 H TRP A 45 15.105 -11.205 -18.641 1.00 25.00 H new ATOM 0 HA TRP A 45 12.427 -12.206 -19.409 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.920 -11.922 -16.800 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.170 -12.009 -16.805 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.258 -14.154 -17.562 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.608 -16.628 -17.744 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.183 -13.551 -17.466 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.204 -18.133 -17.823 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.734 -15.582 -17.599 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.749 -17.850 -17.779 1.00 25.00 H new ATOM 700 N TRP A 46 11.332 -9.980 -19.325 1.00 25.00 N ATOM 701 CA TRP A 46 10.734 -8.649 -19.373 1.00 25.00 C ATOM 702 C TRP A 46 9.419 -8.613 -18.614 1.00 25.00 C ATOM 703 O TRP A 46 8.662 -9.579 -18.628 1.00 25.00 O ATOM 704 CB TRP A 46 10.497 -8.257 -20.834 1.00 25.00 C ATOM 705 CG TRP A 46 11.756 -8.242 -21.682 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.051 -8.359 -21.267 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.834 -8.112 -23.114 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.923 -8.300 -22.308 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.218 -8.154 -23.469 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.876 -7.972 -24.136 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.654 -8.062 -24.809 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.311 -7.887 -25.487 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.701 -7.930 -25.803 1.00 25.00 C ATOM 0 H TRP A 46 10.847 -10.682 -19.884 1.00 25.00 H new ATOM 0 HA TRP A 46 11.417 -7.942 -18.902 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.783 -8.953 -21.275 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.039 -7.268 -20.864 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.347 -8.483 -20.236 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.939 -8.356 -22.234 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.824 -7.930 -23.897 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.706 -8.094 -25.052 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.584 -7.789 -26.279 1.00 25.00 H new ATOM 0 HH2 TRP A 46 13.014 -7.858 -26.834 1.00 25.00 H new ATOM 724 N LEU A 47 9.136 -7.492 -17.972 1.00 25.00 N ATOM 725 CA LEU A 47 7.864 -7.308 -17.284 1.00 25.00 C ATOM 726 C LEU A 47 6.884 -6.811 -18.321 1.00 25.00 C ATOM 727 O LEU A 47 7.106 -5.761 -18.929 1.00 25.00 O ATOM 728 CB LEU A 47 7.987 -6.258 -16.177 1.00 25.00 C ATOM 729 CG LEU A 47 6.723 -6.021 -15.330 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.393 -7.236 -14.470 1.00 25.00 C ATOM 731 CD2 LEU A 47 6.937 -4.800 -14.439 1.00 25.00 C ATOM 0 H LEU A 47 9.768 -6.694 -17.911 1.00 25.00 H new ATOM 0 HA LEU A 47 7.544 -8.244 -16.826 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.797 -6.554 -15.510 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.279 -5.311 -16.632 1.00 25.00 H new ATOM 0 HG LEU A 47 5.883 -5.851 -16.004 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.496 -7.035 -13.885 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.222 -8.100 -15.112 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.226 -7.443 -13.798 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.045 -4.628 -13.837 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.790 -4.974 -13.782 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.130 -3.925 -15.060 1.00 25.00 H new ATOM 743 N CYS A 48 5.805 -7.542 -18.530 1.00 25.00 N ATOM 744 CA CYS A 48 4.791 -7.133 -19.486 1.00 25.00 C ATOM 745 C CYS A 48 3.464 -6.952 -18.777 1.00 25.00 C ATOM 746 O CYS A 48 3.290 -7.423 -17.654 1.00 25.00 O ATOM 747 CB CYS A 48 4.668 -8.184 -20.583 1.00 25.00 C ATOM 748 SG CYS A 48 6.224 -8.465 -21.448 1.00 25.00 S ATOM 0 H CYS A 48 5.608 -8.421 -18.052 1.00 25.00 H new ATOM 0 HA CYS A 48 5.079 -6.184 -19.939 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.324 -9.122 -20.146 1.00 25.00 H new ATOM 0 HB3 CYS A 48 3.909 -7.869 -21.300 1.00 25.00 H new ATOM 0 HG CYS A 48 5.994 -8.612 -22.719 1.00 25.00 H new ATOM 754 N SER A 49 2.522 -6.298 -19.439 1.00 25.00 N ATOM 755 CA SER A 49 1.167 -6.143 -18.920 1.00 25.00 C ATOM 756 C SER A 49 0.159 -6.705 -19.916 1.00 25.00 C ATOM 757 O SER A 49 0.229 -6.429 -21.118 1.00 25.00 O ATOM 758 CB SER A 49 0.872 -4.674 -18.638 1.00 25.00 C ATOM 759 OG SER A 49 1.131 -3.871 -19.776 1.00 25.00 O ATOM 0 H SER A 49 2.672 -5.860 -20.348 1.00 25.00 H new ATOM 0 HA SER A 49 1.083 -6.697 -17.985 1.00 25.00 H new ATOM 0 HB2 SER A 49 -0.170 -4.561 -18.339 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.482 -4.332 -17.802 1.00 25.00 H new ATOM 0 HG SER A 49 1.020 -4.409 -20.588 1.00 25.00 H new ATOM 765 N LEU A 50 -0.758 -7.521 -19.413 1.00 25.00 N ATOM 766 CA LEU A 50 -1.792 -8.167 -20.224 1.00 25.00 C ATOM 767 C LEU A 50 -2.915 -8.600 -19.284 1.00 25.00 C ATOM 768 O LEU A 50 -2.652 -8.909 -18.130 1.00 25.00 O ATOM 769 CB LEU A 50 -1.205 -9.396 -20.941 1.00 25.00 C ATOM 770 CG LEU A 50 -2.089 -10.088 -21.999 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.344 -9.170 -23.190 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.418 -11.368 -22.474 1.00 25.00 C ATOM 0 H LEU A 50 -0.809 -7.758 -18.422 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.170 -7.479 -20.980 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.276 -9.093 -21.424 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.944 -10.135 -20.184 1.00 25.00 H new ATOM 0 HG LEU A 50 -3.048 -10.325 -21.538 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.970 -9.685 -23.919 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.851 -8.266 -22.851 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.394 -8.902 -23.652 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -2.047 -11.853 -23.221 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.450 -11.130 -22.914 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.276 -12.040 -21.628 1.00 25.00 H new ATOM 784 N HIS A 51 -4.155 -8.607 -19.768 1.00 25.00 N ATOM 785 CA HIS A 51 -5.322 -9.066 -18.987 1.00 25.00 C ATOM 786 C HIS A 51 -5.545 -8.256 -17.688 1.00 25.00 C ATOM 787 O HIS A 51 -6.154 -8.734 -16.736 1.00 25.00 O ATOM 788 CB HIS A 51 -5.176 -10.570 -18.672 1.00 25.00 C ATOM 789 CG HIS A 51 -6.480 -11.308 -18.593 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.443 -11.077 -17.648 1.00 25.00 N ATOM 791 CD2 HIS A 51 -6.982 -12.312 -19.369 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.458 -11.907 -17.873 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.230 -12.684 -18.914 1.00 25.00 N ATOM 0 H HIS A 51 -4.388 -8.297 -20.711 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.206 -8.899 -19.602 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.555 -11.032 -19.439 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.649 -10.682 -17.725 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -7.391 -10.386 -16.899 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.476 -12.751 -20.216 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.358 -11.940 -17.277 1.00 25.00 H new ATOM 801 N GLY A 52 -5.038 -7.033 -17.651 1.00 25.00 N ATOM 802 CA GLY A 52 -5.194 -6.195 -16.469 1.00 25.00 C ATOM 803 C GLY A 52 -4.255 -6.590 -15.343 1.00 25.00 C ATOM 804 O GLY A 52 -4.449 -6.198 -14.197 1.00 25.00 O ATOM 0 H GLY A 52 -4.520 -6.601 -18.416 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.013 -5.155 -16.740 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.224 -6.258 -16.117 1.00 25.00 H new ATOM 808 N ARG A 53 -3.237 -7.372 -15.677 1.00 25.00 N ATOM 809 CA ARG A 53 -2.231 -7.825 -14.722 1.00 25.00 C ATOM 810 C ARG A 53 -0.862 -7.566 -15.309 1.00 25.00 C ATOM 811 O ARG A 53 -0.732 -7.381 -16.518 1.00 25.00 O ATOM 812 CB ARG A 53 -2.366 -9.331 -14.471 1.00 25.00 C ATOM 813 CG ARG A 53 -3.689 -9.749 -13.849 1.00 25.00 C ATOM 814 CD ARG A 53 -3.666 -11.240 -13.525 1.00 25.00 C ATOM 815 NE ARG A 53 -2.655 -11.553 -12.496 1.00 25.00 N ATOM 816 CZ ARG A 53 -2.268 -12.774 -12.143 1.00 25.00 C ATOM 817 NH1 ARG A 53 -2.777 -13.858 -12.673 1.00 25.00 N ATOM 818 NH2 ARG A 53 -1.334 -12.899 -11.247 1.00 25.00 N ATOM 0 H ARG A 53 -3.084 -7.713 -16.626 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.368 -7.290 -13.782 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.241 -9.857 -15.417 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.554 -9.652 -13.818 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.871 -9.174 -12.941 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.508 -9.530 -14.534 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -4.650 -11.553 -13.177 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.453 -11.807 -14.431 1.00 25.00 H new ATOM 0 HE ARG A 53 -2.217 -10.767 -12.016 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -3.501 -13.785 -13.388 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -2.449 -14.776 -12.371 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -0.913 -12.069 -10.830 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -1.022 -13.827 -10.962 1.00 25.00 H new ATOM 832 N GLN A 54 0.157 -7.611 -14.469 1.00 25.00 N ATOM 833 CA GLN A 54 1.537 -7.534 -14.928 1.00 25.00 C ATOM 834 C GLN A 54 2.183 -8.847 -14.528 1.00 25.00 C ATOM 835 O GLN A 54 1.748 -9.471 -13.560 1.00 25.00 O ATOM 836 CB GLN A 54 2.290 -6.361 -14.287 1.00 25.00 C ATOM 837 CG GLN A 54 1.690 -4.985 -14.567 1.00 25.00 C ATOM 838 CD GLN A 54 0.542 -4.639 -13.635 1.00 25.00 C ATOM 839 OE1 GLN A 54 -0.613 -4.662 -14.021 1.00 25.00 O ATOM 840 NE2 GLN A 54 0.865 -4.298 -12.412 1.00 25.00 N ATOM 0 H GLN A 54 0.056 -7.701 -13.458 1.00 25.00 H new ATOM 0 HA GLN A 54 1.570 -7.368 -16.005 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.323 -6.515 -13.208 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.320 -6.372 -14.642 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.469 -4.229 -14.472 1.00 25.00 H new ATOM 0 HG3 GLN A 54 1.337 -4.951 -15.598 1.00 25.00 H new ATOM 0 HE21 GLN A 54 1.844 -4.291 -12.126 1.00 25.00 H new ATOM 0 HE22 GLN A 54 0.137 -4.040 -11.746 1.00 25.00 H new ATOM 849 N GLY A 55 3.200 -9.263 -15.263 1.00 25.00 N ATOM 850 CA GLY A 55 3.916 -10.486 -14.938 1.00 25.00 C ATOM 851 C GLY A 55 5.141 -10.626 -15.810 1.00 25.00 C ATOM 852 O GLY A 55 5.273 -9.910 -16.813 1.00 25.00 O ATOM 0 H GLY A 55 3.548 -8.774 -16.087 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.208 -10.476 -13.888 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.262 -11.346 -15.078 1.00 25.00 H new ATOM 856 N ILE A 56 6.058 -11.497 -15.424 1.00 25.00 N ATOM 857 CA ILE A 56 7.297 -11.679 -16.177 1.00 25.00 C ATOM 858 C ILE A 56 7.043 -12.560 -17.399 1.00 25.00 C ATOM 859 O ILE A 56 6.193 -13.458 -17.380 1.00 25.00 O ATOM 860 CB ILE A 56 8.447 -12.260 -15.286 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.145 -13.710 -14.841 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.662 -11.337 -14.057 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.299 -14.402 -14.100 1.00 25.00 C ATOM 0 H ILE A 56 5.973 -12.089 -14.598 1.00 25.00 H new ATOM 0 HA ILE A 56 7.631 -10.698 -16.516 1.00 25.00 H new ATOM 0 HB ILE A 56 9.362 -12.292 -15.877 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.267 -13.703 -14.195 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.889 -14.301 -15.720 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.462 -11.739 -13.435 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.934 -10.337 -14.396 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.742 -11.285 -13.475 1.00 25.00 H new ATOM 0 HD11 ILE A 56 9.000 -15.414 -13.825 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.174 -14.445 -14.749 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.543 -13.839 -13.199 1.00 25.00 H new ATOM 875 N VAL A 57 7.750 -12.256 -18.474 1.00 25.00 N ATOM 876 CA VAL A 57 7.609 -12.952 -19.747 1.00 25.00 C ATOM 877 C VAL A 57 9.004 -13.111 -20.344 1.00 25.00 C ATOM 878 O VAL A 57 9.777 -12.145 -20.374 1.00 25.00 O ATOM 879 CB VAL A 57 6.743 -12.100 -20.739 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.720 -12.726 -22.122 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.311 -11.940 -20.210 1.00 25.00 C ATOM 0 H VAL A 57 8.447 -11.511 -18.490 1.00 25.00 H new ATOM 0 HA VAL A 57 7.126 -13.916 -19.589 1.00 25.00 H new ATOM 0 HB VAL A 57 7.202 -11.114 -20.816 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.112 -12.114 -22.788 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.736 -12.786 -22.511 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.295 -13.728 -22.061 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.728 -11.346 -20.913 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.853 -12.923 -20.098 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.334 -11.438 -19.243 1.00 25.00 H new ATOM 891 N PRO A 58 9.356 -14.313 -20.842 1.00 25.00 N ATOM 892 CA PRO A 58 10.676 -14.348 -21.482 1.00 25.00 C ATOM 893 C PRO A 58 10.672 -13.571 -22.807 1.00 25.00 C ATOM 894 O PRO A 58 9.899 -13.866 -23.725 1.00 25.00 O ATOM 895 CB PRO A 58 10.917 -15.845 -21.684 1.00 25.00 C ATOM 896 CG PRO A 58 9.549 -16.420 -21.830 1.00 25.00 C ATOM 897 CD PRO A 58 8.674 -15.619 -20.911 1.00 25.00 C ATOM 0 HA PRO A 58 11.461 -13.874 -20.893 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.525 -16.035 -22.569 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.444 -16.282 -20.836 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.202 -16.350 -22.861 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.537 -17.476 -21.561 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.661 -15.523 -21.303 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.593 -16.083 -19.928 1.00 25.00 H new ATOM 905 N GLY A 59 11.534 -12.571 -22.896 1.00 25.00 N ATOM 906 CA GLY A 59 11.592 -11.692 -24.057 1.00 25.00 C ATOM 907 C GLY A 59 11.900 -12.400 -25.358 1.00 25.00 C ATOM 908 O GLY A 59 11.497 -11.953 -26.419 1.00 25.00 O ATOM 0 H GLY A 59 12.212 -12.345 -22.169 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.637 -11.175 -24.155 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.351 -10.929 -23.883 1.00 25.00 H new ATOM 912 N ASN A 60 12.574 -13.539 -25.281 1.00 25.00 N ATOM 913 CA ASN A 60 12.884 -14.325 -26.477 1.00 25.00 C ATOM 914 C ASN A 60 11.623 -14.886 -27.151 1.00 25.00 C ATOM 915 O ASN A 60 11.654 -15.252 -28.322 1.00 25.00 O ATOM 916 CB ASN A 60 13.837 -15.475 -26.123 1.00 25.00 C ATOM 917 CG ASN A 60 15.268 -15.015 -25.998 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.803 -14.408 -26.901 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.883 -15.293 -24.883 1.00 25.00 N ATOM 0 H ASN A 60 12.917 -13.942 -24.409 1.00 25.00 H new ATOM 0 HA ASN A 60 13.364 -13.651 -27.187 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.521 -15.930 -25.184 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.772 -16.247 -26.890 1.00 25.00 H new ATOM 0 HD21 ASN A 60 16.850 -14.998 -24.746 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.398 -15.806 -24.147 1.00 25.00 H new ATOM 926 N ARG A 61 10.508 -14.940 -26.427 1.00 25.00 N ATOM 927 CA ARG A 61 9.241 -15.393 -27.015 1.00 25.00 C ATOM 928 C ARG A 61 8.427 -14.218 -27.545 1.00 25.00 C ATOM 929 O ARG A 61 7.266 -14.389 -27.912 1.00 25.00 O ATOM 930 CB ARG A 61 8.400 -16.167 -25.990 1.00 25.00 C ATOM 931 CG ARG A 61 9.007 -17.497 -25.548 1.00 25.00 C ATOM 932 CD ARG A 61 7.976 -18.310 -24.766 1.00 25.00 C ATOM 933 NE ARG A 61 8.517 -19.575 -24.244 1.00 25.00 N ATOM 934 CZ ARG A 61 7.791 -20.529 -23.665 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.492 -20.445 -23.551 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.385 -21.587 -23.192 1.00 25.00 N ATOM 0 H ARG A 61 10.451 -14.680 -25.442 1.00 25.00 H new ATOM 0 HA ARG A 61 9.493 -16.055 -27.844 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.253 -15.539 -25.111 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.414 -16.355 -26.416 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.341 -18.061 -26.419 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.886 -17.317 -24.928 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.603 -17.711 -23.936 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.125 -18.524 -25.412 1.00 25.00 H new ATOM 0 HE ARG A 61 9.521 -19.732 -24.332 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.000 -19.628 -23.912 1.00 25.00 H new ATOM 0 HH12 ARG A 61 5.970 -21.197 -23.101 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.398 -21.679 -23.267 1.00 25.00 H new ATOM 0 HH22 ARG A 61 7.837 -22.323 -22.747 1.00 25.00 H new ATOM 950 N LEU A 62 9.015 -13.030 -27.558 1.00 25.00 N ATOM 951 CA LEU A 62 8.320 -11.815 -27.982 1.00 25.00 C ATOM 952 C LEU A 62 9.055 -11.147 -29.141 1.00 25.00 C ATOM 953 O LEU A 62 10.264 -11.283 -29.281 1.00 25.00 O ATOM 954 CB LEU A 62 8.271 -10.805 -26.821 1.00 25.00 C ATOM 955 CG LEU A 62 7.564 -11.194 -25.514 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.704 -10.036 -24.522 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.097 -11.499 -25.758 1.00 25.00 C ATOM 0 H LEU A 62 9.984 -12.878 -27.277 1.00 25.00 H new ATOM 0 HA LEU A 62 7.315 -12.101 -28.291 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.299 -10.543 -26.572 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.793 -9.900 -27.195 1.00 25.00 H new ATOM 0 HG LEU A 62 8.026 -12.094 -25.109 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.207 -10.296 -23.587 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.760 -9.846 -24.331 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.245 -9.141 -24.941 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.621 -11.772 -24.816 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.606 -10.618 -26.171 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.010 -12.327 -26.462 1.00 25.00 H new ATOM 969 N LYS A 63 8.336 -10.352 -29.917 1.00 25.00 N ATOM 970 CA LYS A 63 8.966 -9.498 -30.928 1.00 25.00 C ATOM 971 C LYS A 63 8.420 -8.084 -30.810 1.00 25.00 C ATOM 972 O LYS A 63 7.217 -7.872 -30.930 1.00 25.00 O ATOM 973 CB LYS A 63 8.745 -10.055 -32.333 1.00 25.00 C ATOM 974 CG LYS A 63 9.580 -9.342 -33.386 1.00 25.00 C ATOM 975 CD LYS A 63 9.523 -10.054 -34.729 1.00 25.00 C ATOM 976 CE LYS A 63 10.461 -9.368 -35.721 1.00 25.00 C ATOM 977 NZ LYS A 63 10.496 -10.083 -37.046 1.00 25.00 N ATOM 0 H LYS A 63 7.320 -10.276 -29.872 1.00 25.00 H new ATOM 0 HA LYS A 63 10.042 -9.478 -30.752 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.988 -11.117 -32.341 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.690 -9.968 -32.592 1.00 25.00 H new ATOM 0 HG2 LYS A 63 9.223 -8.319 -33.502 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.615 -9.282 -33.050 1.00 25.00 H new ATOM 0 HD2 LYS A 63 9.808 -11.099 -34.609 1.00 25.00 H new ATOM 0 HD3 LYS A 63 8.503 -10.044 -35.113 1.00 25.00 H new ATOM 0 HE2 LYS A 63 10.139 -8.338 -35.873 1.00 25.00 H new ATOM 0 HE3 LYS A 63 11.467 -9.329 -35.303 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 11.143 -9.587 -37.691 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 10.828 -11.059 -36.905 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 9.541 -10.098 -37.458 1.00 25.00 H new ATOM 991 N ILE A 64 9.311 -7.137 -30.552 1.00 25.00 N ATOM 992 CA ILE A 64 8.951 -5.722 -30.387 1.00 25.00 C ATOM 993 C ILE A 64 8.321 -5.181 -31.669 1.00 25.00 C ATOM 994 O ILE A 64 8.816 -5.423 -32.773 1.00 25.00 O ATOM 995 CB ILE A 64 10.220 -4.861 -30.033 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.814 -5.292 -28.672 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.904 -3.336 -30.021 1.00 25.00 C ATOM 998 CD1 ILE A 64 9.980 -4.891 -27.413 1.00 25.00 C ATOM 0 H ILE A 64 10.309 -7.322 -30.450 1.00 25.00 H new ATOM 0 HA ILE A 64 8.233 -5.653 -29.570 1.00 25.00 H new ATOM 0 HB ILE A 64 10.957 -5.042 -30.815 1.00 25.00 H new ATOM 0 HG12 ILE A 64 10.935 -6.375 -28.675 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.810 -4.860 -28.578 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.807 -2.779 -29.772 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.549 -3.030 -31.005 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.134 -3.130 -29.277 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.487 -5.242 -26.514 1.00 25.00 H new ATOM 0 HD12 ILE A 64 9.880 -3.806 -27.373 1.00 25.00 H new ATOM 0 HD13 ILE A 64 8.991 -5.345 -27.472 1.00 25.00 H new