USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=10 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= -0.154 X(o=-0.15,f=-0.3) 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= 0.963 K(o=0.96,f=-5!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0.176 (180deg=0.167) USER MOD Single : A 32 MET CE :methyl -118:sc= -0.0318 (180deg=-1.74) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -25:sc= 0.301 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 48 CYS SG : rot 59:sc= -0.626 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.353 K(o=0.35,f=-1.6) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 60 ASN : amide:sc= -0.0313 K(o=-0.031,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 8.689 2.928 -20.483 1.00 25.00 N ATOM 81 CA LEU A 6 9.158 2.244 -21.700 1.00 25.00 C ATOM 82 C LEU A 6 8.127 2.364 -22.827 1.00 25.00 C ATOM 83 O LEU A 6 8.482 2.699 -23.949 1.00 25.00 O ATOM 84 CB LEU A 6 9.416 0.757 -21.424 1.00 25.00 C ATOM 85 CG LEU A 6 10.898 0.351 -21.350 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.589 0.900 -20.104 1.00 25.00 C ATOM 87 CD2 LEU A 6 11.019 -1.182 -21.379 1.00 25.00 C ATOM 0 HA LEU A 6 10.087 2.725 -22.005 1.00 25.00 H new ATOM 0 HB2 LEU A 6 8.936 0.490 -20.483 1.00 25.00 H new ATOM 0 HB3 LEU A 6 8.934 0.170 -22.206 1.00 25.00 H new ATOM 0 HG LEU A 6 11.398 0.783 -22.217 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.633 0.586 -20.098 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.538 1.989 -20.110 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.090 0.518 -19.213 1.00 25.00 H new ATOM 0 HD21 LEU A 6 12.070 -1.465 -21.326 1.00 25.00 H new ATOM 0 HD22 LEU A 6 10.486 -1.605 -20.527 1.00 25.00 H new ATOM 0 HD23 LEU A 6 10.586 -1.564 -22.304 1.00 25.00 H new ATOM 99 N ASN A 7 6.866 2.121 -22.486 1.00 25.00 N ATOM 100 CA ASN A 7 5.733 2.305 -23.396 1.00 25.00 C ATOM 101 C ASN A 7 5.948 1.707 -24.791 1.00 25.00 C ATOM 102 O ASN A 7 5.667 2.350 -25.801 1.00 25.00 O ATOM 103 CB ASN A 7 5.422 3.801 -23.519 1.00 25.00 C ATOM 104 CG ASN A 7 4.038 4.065 -24.069 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.056 3.515 -23.582 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.947 4.918 -25.058 1.00 25.00 N ATOM 0 H ASN A 7 6.595 1.787 -21.561 1.00 25.00 H new ATOM 0 HA ASN A 7 4.894 1.762 -22.961 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.515 4.269 -22.539 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.162 4.270 -24.168 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.034 5.147 -25.452 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.789 5.354 -25.435 1.00 25.00 H new ATOM 113 N VAL A 8 6.445 0.483 -24.842 1.00 25.00 N ATOM 114 CA VAL A 8 6.699 -0.195 -26.110 1.00 25.00 C ATOM 115 C VAL A 8 5.956 -1.516 -26.050 1.00 25.00 C ATOM 116 O VAL A 8 5.744 -2.051 -24.972 1.00 25.00 O ATOM 117 CB VAL A 8 8.235 -0.355 -26.360 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.872 -1.330 -25.355 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.522 -0.812 -27.795 1.00 25.00 C ATOM 0 H VAL A 8 6.683 -0.068 -24.017 1.00 25.00 H new ATOM 0 HA VAL A 8 6.338 0.383 -26.960 1.00 25.00 H new ATOM 0 HB VAL A 8 8.685 0.627 -26.215 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.939 -1.417 -25.559 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.725 -0.956 -24.342 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.404 -2.309 -25.451 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.598 -0.914 -27.936 1.00 25.00 H new ATOM 0 HG22 VAL A 8 8.040 -1.773 -27.974 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.132 -0.075 -28.497 1.00 25.00 H new ATOM 129 N LEU A 9 5.498 -2.011 -27.190 1.00 25.00 N ATOM 130 CA LEU A 9 4.693 -3.230 -27.225 1.00 25.00 C ATOM 131 C LEU A 9 5.393 -4.304 -28.025 1.00 25.00 C ATOM 132 O LEU A 9 6.208 -4.017 -28.907 1.00 25.00 O ATOM 133 CB LEU A 9 3.296 -2.997 -27.825 1.00 25.00 C ATOM 134 CG LEU A 9 3.020 -1.695 -28.593 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.903 -1.938 -29.600 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.610 -0.570 -27.622 1.00 25.00 C ATOM 0 H LEU A 9 5.668 -1.591 -28.104 1.00 25.00 H new ATOM 0 HA LEU A 9 4.571 -3.548 -26.190 1.00 25.00 H new ATOM 0 HB2 LEU A 9 3.085 -3.827 -28.499 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.574 -3.057 -27.010 1.00 25.00 H new ATOM 0 HG LEU A 9 3.928 -1.388 -29.112 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.702 -1.018 -30.149 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.206 -2.718 -30.298 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.001 -2.252 -29.074 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.419 0.344 -28.184 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.707 -0.863 -27.087 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.414 -0.395 -26.908 1.00 25.00 H new ATOM 148 N ALA A 10 5.051 -5.540 -27.719 1.00 25.00 N ATOM 149 CA ALA A 10 5.619 -6.691 -28.391 1.00 25.00 C ATOM 150 C ALA A 10 4.504 -7.692 -28.673 1.00 25.00 C ATOM 151 O ALA A 10 3.493 -7.720 -27.970 1.00 25.00 O ATOM 152 CB ALA A 10 6.695 -7.320 -27.514 1.00 25.00 C ATOM 0 H ALA A 10 4.370 -5.774 -26.996 1.00 25.00 H new ATOM 0 HA ALA A 10 6.079 -6.388 -29.332 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.120 -8.185 -28.023 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.481 -6.590 -27.323 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.255 -7.636 -26.568 1.00 25.00 H new ATOM 158 N LYS A 11 4.704 -8.515 -29.687 1.00 25.00 N ATOM 159 CA LYS A 11 3.761 -9.576 -30.034 1.00 25.00 C ATOM 160 C LYS A 11 4.367 -10.887 -29.597 1.00 25.00 C ATOM 161 O LYS A 11 5.541 -11.148 -29.868 1.00 25.00 O ATOM 162 CB LYS A 11 3.540 -9.619 -31.556 1.00 25.00 C ATOM 163 CG LYS A 11 2.460 -10.619 -31.998 1.00 25.00 C ATOM 164 CD LYS A 11 2.899 -11.474 -33.184 1.00 25.00 C ATOM 165 CE LYS A 11 2.905 -10.684 -34.489 1.00 25.00 C ATOM 166 NZ LYS A 11 3.140 -11.601 -35.646 1.00 25.00 N ATOM 0 H LYS A 11 5.522 -8.471 -30.295 1.00 25.00 H new ATOM 0 HA LYS A 11 2.804 -9.395 -29.544 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.263 -8.623 -31.902 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.481 -9.876 -32.043 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.208 -11.269 -31.160 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.554 -10.075 -32.263 1.00 25.00 H new ATOM 0 HD2 LYS A 11 3.897 -11.870 -32.996 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.230 -12.329 -33.281 1.00 25.00 H new ATOM 0 HE2 LYS A 11 1.954 -10.166 -34.613 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.682 -9.920 -34.457 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.142 -11.052 -36.529 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 4.058 -12.076 -35.532 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.384 -12.314 -35.683 1.00 25.00 H new ATOM 180 N ALA A 12 3.576 -11.737 -28.972 1.00 25.00 N ATOM 181 CA ALA A 12 4.039 -13.063 -28.599 1.00 25.00 C ATOM 182 C ALA A 12 4.149 -13.937 -29.840 1.00 25.00 C ATOM 183 O ALA A 12 3.239 -13.993 -30.660 1.00 25.00 O ATOM 184 CB ALA A 12 3.085 -13.683 -27.587 1.00 25.00 C ATOM 0 H ALA A 12 2.611 -11.535 -28.711 1.00 25.00 H new ATOM 0 HA ALA A 12 5.024 -12.985 -28.139 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.440 -14.677 -27.313 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.041 -13.056 -26.697 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.090 -13.761 -28.025 1.00 25.00 H new ATOM 190 N LEU A 13 5.285 -14.606 -29.976 1.00 25.00 N ATOM 191 CA LEU A 13 5.540 -15.482 -31.113 1.00 25.00 C ATOM 192 C LEU A 13 5.108 -16.900 -30.781 1.00 25.00 C ATOM 193 O LEU A 13 4.754 -17.684 -31.654 1.00 25.00 O ATOM 194 CB LEU A 13 7.036 -15.475 -31.448 1.00 25.00 C ATOM 195 CG LEU A 13 7.621 -14.121 -31.873 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.143 -14.226 -31.955 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.055 -13.689 -33.237 1.00 25.00 C ATOM 0 H LEU A 13 6.053 -14.558 -29.306 1.00 25.00 H new ATOM 0 HA LEU A 13 4.972 -15.121 -31.971 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.586 -15.829 -30.576 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.213 -16.193 -32.249 1.00 25.00 H new ATOM 0 HG LEU A 13 7.345 -13.372 -31.131 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.558 -13.264 -32.257 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.542 -14.503 -30.979 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.416 -14.985 -32.688 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.482 -12.727 -33.520 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.310 -14.435 -33.990 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.971 -13.599 -33.169 1.00 25.00 H new ATOM 209 N TYR A 14 5.135 -17.209 -29.493 1.00 25.00 N ATOM 210 CA TYR A 14 4.794 -18.536 -29.000 1.00 25.00 C ATOM 211 C TYR A 14 3.795 -18.360 -27.864 1.00 25.00 C ATOM 212 O TYR A 14 3.719 -17.281 -27.282 1.00 25.00 O ATOM 213 CB TYR A 14 6.044 -19.248 -28.476 1.00 25.00 C ATOM 214 CG TYR A 14 7.199 -19.245 -29.464 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.215 -18.274 -29.378 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.285 -20.214 -30.488 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.307 -18.263 -30.289 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.381 -20.203 -31.410 1.00 25.00 C ATOM 219 CZ TYR A 14 9.375 -19.224 -31.299 1.00 25.00 C ATOM 220 OH TYR A 14 10.419 -19.207 -32.187 1.00 25.00 O ATOM 0 H TYR A 14 5.394 -16.548 -28.761 1.00 25.00 H new ATOM 0 HA TYR A 14 4.371 -19.138 -29.804 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.365 -18.769 -27.551 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.789 -20.279 -28.229 1.00 25.00 H new ATOM 0 HD1 TYR A 14 8.164 -17.522 -28.604 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.518 -20.969 -30.576 1.00 25.00 H new ATOM 0 HE1 TYR A 14 10.080 -17.514 -30.200 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.440 -20.949 -32.189 1.00 25.00 H new ATOM 0 HH TYR A 14 10.317 -19.943 -32.826 1.00 25.00 H new ATOM 230 N ASP A 15 3.035 -19.396 -27.561 1.00 25.00 N ATOM 231 CA ASP A 15 2.059 -19.370 -26.468 1.00 25.00 C ATOM 232 C ASP A 15 2.677 -20.006 -25.227 1.00 25.00 C ATOM 233 O ASP A 15 3.669 -20.736 -25.322 1.00 25.00 O ATOM 234 CB ASP A 15 0.776 -20.116 -26.888 1.00 25.00 C ATOM 235 CG ASP A 15 1.050 -21.475 -27.528 1.00 25.00 C ATOM 236 OD1 ASP A 15 0.665 -22.492 -26.934 1.00 25.00 O ATOM 237 OD2 ASP A 15 1.529 -21.518 -28.694 1.00 25.00 O ATOM 0 H ASP A 15 3.071 -20.284 -28.062 1.00 25.00 H new ATOM 0 HA ASP A 15 1.790 -18.339 -26.238 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.142 -20.256 -26.012 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.218 -19.497 -27.590 1.00 25.00 H new ATOM 242 N ASN A 16 2.109 -19.705 -24.067 1.00 25.00 N ATOM 243 CA ASN A 16 2.577 -20.260 -22.801 1.00 25.00 C ATOM 244 C ASN A 16 1.397 -20.606 -21.899 1.00 25.00 C ATOM 245 O ASN A 16 0.250 -20.252 -22.182 1.00 25.00 O ATOM 246 CB ASN A 16 3.510 -19.258 -22.083 1.00 25.00 C ATOM 247 CG ASN A 16 2.776 -18.337 -21.107 1.00 25.00 C ATOM 248 OD1 ASN A 16 1.777 -17.736 -21.444 1.00 25.00 O ATOM 249 ND2 ASN A 16 3.282 -18.218 -19.912 1.00 25.00 N ATOM 0 H ASN A 16 1.314 -19.072 -23.975 1.00 25.00 H new ATOM 0 HA ASN A 16 3.135 -21.171 -23.015 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.277 -19.811 -21.542 1.00 25.00 H new ATOM 0 HB3 ASN A 16 4.022 -18.650 -22.829 1.00 25.00 H new ATOM 0 HD21 ASN A 16 2.837 -17.606 -19.228 1.00 25.00 H new ATOM 0 HD22 ASN A 16 4.123 -18.737 -19.660 1.00 25.00 H new ATOM 256 N VAL A 17 1.698 -21.271 -20.793 1.00 25.00 N ATOM 257 CA VAL A 17 0.730 -21.538 -19.740 1.00 25.00 C ATOM 258 C VAL A 17 1.486 -21.053 -18.522 1.00 25.00 C ATOM 259 O VAL A 17 2.623 -21.459 -18.331 1.00 25.00 O ATOM 260 CB VAL A 17 0.391 -23.053 -19.614 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.556 -23.298 -18.421 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.251 -23.582 -20.910 1.00 25.00 C ATOM 0 H VAL A 17 2.628 -21.643 -20.600 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.236 -21.060 -19.905 1.00 25.00 H new ATOM 0 HB VAL A 17 1.323 -23.592 -19.443 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.782 -24.362 -18.348 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.076 -22.965 -17.501 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.480 -22.740 -18.570 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.478 -24.642 -20.797 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.171 -23.033 -21.111 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.441 -23.446 -21.741 1.00 25.00 H new ATOM 272 N ALA A 18 0.909 -20.141 -17.758 1.00 25.00 N ATOM 273 CA ALA A 18 1.590 -19.608 -16.596 1.00 25.00 C ATOM 274 C ALA A 18 1.282 -20.489 -15.393 1.00 25.00 C ATOM 275 O ALA A 18 0.141 -20.925 -15.219 1.00 25.00 O ATOM 276 CB ALA A 18 1.136 -18.170 -16.328 1.00 25.00 C ATOM 0 H ALA A 18 -0.022 -19.758 -17.921 1.00 25.00 H new ATOM 0 HA ALA A 18 2.665 -19.599 -16.777 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.656 -17.782 -15.452 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.368 -17.548 -17.193 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.061 -18.155 -16.148 1.00 25.00 H new ATOM 282 N GLU A 19 2.290 -20.719 -14.565 1.00 25.00 N ATOM 283 CA GLU A 19 2.105 -21.499 -13.339 1.00 25.00 C ATOM 284 C GLU A 19 2.430 -20.676 -12.097 1.00 25.00 C ATOM 285 O GLU A 19 1.839 -20.878 -11.037 1.00 25.00 O ATOM 286 CB GLU A 19 2.944 -22.783 -13.387 1.00 25.00 C ATOM 287 CG GLU A 19 4.455 -22.571 -13.595 1.00 25.00 C ATOM 288 CD GLU A 19 5.236 -23.887 -13.603 1.00 25.00 C ATOM 289 OE1 GLU A 19 6.320 -23.932 -12.989 1.00 25.00 O ATOM 290 OE2 GLU A 19 4.757 -24.876 -14.211 1.00 25.00 O ATOM 0 H GLU A 19 3.241 -20.381 -14.713 1.00 25.00 H new ATOM 0 HA GLU A 19 1.053 -21.778 -13.275 1.00 25.00 H new ATOM 0 HB2 GLU A 19 2.795 -23.331 -12.456 1.00 25.00 H new ATOM 0 HB3 GLU A 19 2.568 -23.414 -14.192 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.619 -22.049 -14.538 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.841 -21.928 -12.804 1.00 25.00 H new ATOM 297 N SER A 20 3.335 -19.717 -12.225 1.00 25.00 N ATOM 298 CA SER A 20 3.684 -18.847 -11.103 1.00 25.00 C ATOM 299 C SER A 20 2.750 -17.637 -11.110 1.00 25.00 C ATOM 300 O SER A 20 2.350 -17.175 -12.174 1.00 25.00 O ATOM 301 CB SER A 20 5.137 -18.386 -11.226 1.00 25.00 C ATOM 302 OG SER A 20 6.015 -19.498 -11.169 1.00 25.00 O ATOM 0 H SER A 20 3.841 -19.519 -13.088 1.00 25.00 H new ATOM 0 HA SER A 20 3.574 -19.394 -10.167 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.277 -17.852 -12.166 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.373 -17.687 -10.423 1.00 25.00 H new ATOM 0 HG SER A 20 6.941 -19.188 -11.251 1.00 25.00 H new ATOM 308 N PRO A 21 2.434 -17.069 -9.929 1.00 25.00 N ATOM 309 CA PRO A 21 1.591 -15.868 -9.978 1.00 25.00 C ATOM 310 C PRO A 21 2.329 -14.647 -10.537 1.00 25.00 C ATOM 311 O PRO A 21 1.711 -13.679 -10.958 1.00 25.00 O ATOM 312 CB PRO A 21 1.209 -15.660 -8.509 1.00 25.00 C ATOM 313 CG PRO A 21 2.365 -16.207 -7.746 1.00 25.00 C ATOM 314 CD PRO A 21 2.799 -17.422 -8.544 1.00 25.00 C ATOM 0 HA PRO A 21 0.736 -15.989 -10.643 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.048 -14.605 -8.285 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.285 -16.183 -8.260 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.170 -15.476 -7.665 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.078 -16.480 -6.730 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.869 -17.607 -8.445 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.287 -18.325 -8.211 1.00 25.00 H new ATOM 322 N ASP A 22 3.655 -14.728 -10.533 1.00 25.00 N ATOM 323 CA ASP A 22 4.529 -13.679 -11.054 1.00 25.00 C ATOM 324 C ASP A 22 4.598 -13.740 -12.573 1.00 25.00 C ATOM 325 O ASP A 22 5.113 -12.832 -13.222 1.00 25.00 O ATOM 326 CB ASP A 22 5.946 -13.887 -10.503 1.00 25.00 C ATOM 327 CG ASP A 22 6.007 -13.818 -8.991 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.490 -12.800 -8.451 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.582 -14.799 -8.336 1.00 25.00 O ATOM 0 H ASP A 22 4.161 -15.533 -10.164 1.00 25.00 H new ATOM 0 HA ASP A 22 4.128 -12.713 -10.748 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.320 -14.856 -10.833 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.608 -13.130 -10.923 1.00 25.00 H new ATOM 334 N GLU A 23 4.129 -14.841 -13.143 1.00 25.00 N ATOM 335 CA GLU A 23 4.219 -15.093 -14.574 1.00 25.00 C ATOM 336 C GLU A 23 2.928 -14.687 -15.282 1.00 25.00 C ATOM 337 O GLU A 23 1.828 -14.870 -14.758 1.00 25.00 O ATOM 338 CB GLU A 23 4.471 -16.582 -14.781 1.00 25.00 C ATOM 339 CG GLU A 23 4.900 -16.954 -16.179 1.00 25.00 C ATOM 340 CD GLU A 23 5.005 -18.461 -16.365 1.00 25.00 C ATOM 341 OE1 GLU A 23 4.687 -19.219 -15.409 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.335 -18.888 -17.500 1.00 25.00 O ATOM 0 H GLU A 23 3.672 -15.589 -12.622 1.00 25.00 H new ATOM 0 HA GLU A 23 5.033 -14.503 -14.995 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.239 -16.909 -14.080 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.561 -17.129 -14.536 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.186 -16.550 -16.896 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.864 -16.495 -16.396 1.00 25.00 H new ATOM 349 N LEU A 24 3.057 -14.137 -16.477 1.00 25.00 N ATOM 350 CA LEU A 24 1.884 -13.749 -17.253 1.00 25.00 C ATOM 351 C LEU A 24 1.441 -14.893 -18.168 1.00 25.00 C ATOM 352 O LEU A 24 2.262 -15.513 -18.841 1.00 25.00 O ATOM 353 CB LEU A 24 2.196 -12.524 -18.100 1.00 25.00 C ATOM 354 CG LEU A 24 1.446 -11.240 -17.714 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.925 -10.103 -18.594 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.074 -11.402 -17.873 1.00 25.00 C ATOM 0 H LEU A 24 3.951 -13.949 -16.931 1.00 25.00 H new ATOM 0 HA LEU A 24 1.079 -13.516 -16.556 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.267 -12.329 -18.043 1.00 25.00 H new ATOM 0 HB3 LEU A 24 1.969 -12.757 -19.140 1.00 25.00 H new ATOM 0 HG LEU A 24 1.653 -11.026 -16.665 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.397 -9.188 -18.326 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.996 -9.959 -18.451 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.727 -10.343 -19.639 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.570 -10.474 -17.591 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.308 -11.638 -18.911 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.423 -12.210 -17.230 1.00 25.00 H new ATOM 368 N SER A 25 0.139 -15.118 -18.245 1.00 25.00 N ATOM 369 CA SER A 25 -0.415 -16.092 -19.187 1.00 25.00 C ATOM 370 C SER A 25 -0.781 -15.337 -20.453 1.00 25.00 C ATOM 371 O SER A 25 -1.510 -14.348 -20.398 1.00 25.00 O ATOM 372 CB SER A 25 -1.661 -16.770 -18.605 1.00 25.00 C ATOM 373 OG SER A 25 -2.202 -17.711 -19.509 1.00 25.00 O ATOM 0 H SER A 25 -0.557 -14.643 -17.670 1.00 25.00 H new ATOM 0 HA SER A 25 0.317 -16.873 -19.392 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.404 -17.267 -17.670 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.412 -16.016 -18.369 1.00 25.00 H new ATOM 0 HG SER A 25 -2.994 -18.129 -19.111 1.00 25.00 H new ATOM 379 N PHE A 26 -0.251 -15.770 -21.583 1.00 25.00 N ATOM 380 CA PHE A 26 -0.460 -15.100 -22.868 1.00 25.00 C ATOM 381 C PHE A 26 -0.398 -16.166 -23.951 1.00 25.00 C ATOM 382 O PHE A 26 0.005 -17.290 -23.699 1.00 25.00 O ATOM 383 CB PHE A 26 0.634 -14.059 -23.100 1.00 25.00 C ATOM 384 CG PHE A 26 2.028 -14.638 -23.114 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.794 -14.674 -21.934 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.576 -15.176 -24.297 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.082 -15.246 -21.923 1.00 25.00 C ATOM 388 CE2 PHE A 26 3.869 -15.743 -24.298 1.00 25.00 C ATOM 389 CZ PHE A 26 4.619 -15.779 -23.114 1.00 25.00 C ATOM 0 H PHE A 26 0.340 -16.599 -21.643 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.423 -14.589 -22.883 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.449 -13.556 -24.049 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.573 -13.300 -22.320 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.389 -14.257 -21.024 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.001 -15.154 -25.211 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.655 -15.276 -21.008 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.280 -16.149 -25.210 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.607 -16.214 -23.114 1.00 25.00 H new ATOM 399 N ARG A 27 -0.797 -15.820 -25.166 1.00 25.00 N ATOM 400 CA ARG A 27 -0.752 -16.776 -26.268 1.00 25.00 C ATOM 401 C ARG A 27 -0.131 -16.139 -27.486 1.00 25.00 C ATOM 402 O ARG A 27 -0.084 -14.929 -27.597 1.00 25.00 O ATOM 403 CB ARG A 27 -2.158 -17.297 -26.579 1.00 25.00 C ATOM 404 CG ARG A 27 -2.703 -18.181 -25.447 1.00 25.00 C ATOM 405 CD ARG A 27 -4.088 -18.708 -25.754 1.00 25.00 C ATOM 406 NE ARG A 27 -4.591 -19.548 -24.654 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.222 -19.107 -23.568 1.00 25.00 C ATOM 408 NH1 ARG A 27 -5.482 -17.839 -23.372 1.00 25.00 N ATOM 409 NH2 ARG A 27 -5.599 -19.966 -22.661 1.00 25.00 N ATOM 0 H ARG A 27 -1.152 -14.897 -25.415 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.134 -17.624 -25.974 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.831 -16.454 -26.738 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.137 -17.868 -27.508 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.025 -19.018 -25.283 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.731 -17.607 -24.521 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.770 -17.874 -25.920 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.064 -19.288 -26.677 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.443 -20.554 -24.731 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -5.199 -17.147 -24.066 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -5.968 -17.543 -22.525 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -5.409 -20.960 -22.790 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -6.084 -19.644 -21.823 1.00 25.00 H new ATOM 423 N LYS A 28 0.357 -16.967 -28.396 1.00 25.00 N ATOM 424 CA LYS A 28 0.954 -16.480 -29.638 1.00 25.00 C ATOM 425 C LYS A 28 -0.043 -15.609 -30.391 1.00 25.00 C ATOM 426 O LYS A 28 -1.222 -15.914 -30.476 1.00 25.00 O ATOM 427 CB LYS A 28 1.419 -17.650 -30.506 1.00 25.00 C ATOM 428 CG LYS A 28 0.349 -18.681 -30.842 1.00 25.00 C ATOM 429 CD LYS A 28 0.989 -19.923 -31.444 1.00 25.00 C ATOM 430 CE LYS A 28 -0.006 -21.092 -31.505 1.00 25.00 C ATOM 431 NZ LYS A 28 0.731 -22.393 -31.504 1.00 25.00 N ATOM 0 H LYS A 28 0.353 -17.983 -28.301 1.00 25.00 H new ATOM 0 HA LYS A 28 1.827 -15.875 -29.394 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.821 -17.252 -31.438 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.239 -18.155 -29.996 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.205 -18.948 -29.942 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.369 -18.256 -31.544 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.350 -19.698 -32.447 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.856 -20.212 -30.850 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.684 -21.048 -30.652 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.618 -21.012 -32.403 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 0.058 -23.173 -31.648 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 1.433 -22.395 -32.272 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 1.215 -22.517 -30.592 1.00 25.00 H new ATOM 445 N GLY A 29 0.457 -14.495 -30.898 1.00 25.00 N ATOM 446 CA GLY A 29 -0.372 -13.531 -31.600 1.00 25.00 C ATOM 447 C GLY A 29 -0.855 -12.396 -30.714 1.00 25.00 C ATOM 448 O GLY A 29 -1.136 -11.312 -31.211 1.00 25.00 O ATOM 0 H GLY A 29 1.441 -14.235 -30.835 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.193 -13.116 -32.435 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.235 -14.045 -32.023 1.00 25.00 H new ATOM 452 N ASP A 30 -0.917 -12.631 -29.408 1.00 25.00 N ATOM 453 CA ASP A 30 -1.384 -11.618 -28.457 1.00 25.00 C ATOM 454 C ASP A 30 -0.347 -10.489 -28.331 1.00 25.00 C ATOM 455 O ASP A 30 0.835 -10.675 -28.676 1.00 25.00 O ATOM 456 CB ASP A 30 -1.651 -12.264 -27.090 1.00 25.00 C ATOM 457 CG ASP A 30 -2.753 -11.575 -26.308 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.129 -10.431 -26.652 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.257 -12.199 -25.357 1.00 25.00 O ATOM 0 H ASP A 30 -0.649 -13.517 -28.978 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.316 -11.188 -28.825 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.918 -13.311 -27.236 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.733 -12.248 -26.502 1.00 25.00 H new ATOM 464 N ILE A 31 -0.797 -9.332 -27.858 1.00 25.00 N ATOM 465 CA ILE A 31 0.036 -8.127 -27.755 1.00 25.00 C ATOM 466 C ILE A 31 0.102 -7.658 -26.306 1.00 25.00 C ATOM 467 O ILE A 31 -0.922 -7.447 -25.676 1.00 25.00 O ATOM 468 CB ILE A 31 -0.562 -6.945 -28.594 1.00 25.00 C ATOM 469 CG1 ILE A 31 -0.896 -7.386 -30.031 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.407 -5.723 -28.596 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.291 -7.841 -30.883 1.00 25.00 C ATOM 0 H ILE A 31 -1.754 -9.197 -27.532 1.00 25.00 H new ATOM 0 HA ILE A 31 1.024 -8.390 -28.132 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.495 -6.640 -28.120 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.617 -8.202 -29.982 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.387 -6.557 -30.540 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.028 -4.915 -29.184 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.566 -5.383 -27.573 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.362 -6.016 -29.033 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.061 -8.128 -31.874 1.00 25.00 H new ATOM 0 HD12 ILE A 31 1.007 -7.024 -30.975 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.774 -8.695 -30.408 1.00 25.00 H new ATOM 483 N MET A 32 1.309 -7.454 -25.802 1.00 25.00 N ATOM 484 CA MET A 32 1.498 -6.961 -24.434 1.00 25.00 C ATOM 485 C MET A 32 2.428 -5.759 -24.436 1.00 25.00 C ATOM 486 O MET A 32 3.330 -5.645 -25.273 1.00 25.00 O ATOM 487 CB MET A 32 2.043 -8.053 -23.508 1.00 25.00 C ATOM 488 CG MET A 32 3.388 -8.677 -23.937 1.00 25.00 C ATOM 489 SD MET A 32 3.252 -9.838 -25.317 1.00 25.00 S ATOM 490 CE MET A 32 2.409 -11.210 -24.550 1.00 25.00 C ATOM 0 H MET A 32 2.176 -7.620 -26.314 1.00 25.00 H new ATOM 0 HA MET A 32 0.523 -6.661 -24.051 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.159 -7.633 -22.509 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.300 -8.848 -23.435 1.00 25.00 H new ATOM 0 HG2 MET A 32 4.076 -7.878 -24.214 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.826 -9.193 -23.083 1.00 25.00 H new ATOM 0 HE1 MET A 32 3.046 -12.094 -24.584 1.00 25.00 H new ATOM 0 HE2 MET A 32 2.184 -10.965 -23.512 1.00 25.00 H new ATOM 0 HE3 MET A 32 1.480 -11.411 -25.084 1.00 25.00 H new ATOM 500 N THR A 33 2.200 -4.864 -23.499 1.00 25.00 N ATOM 501 CA THR A 33 3.044 -3.691 -23.335 1.00 25.00 C ATOM 502 C THR A 33 4.202 -4.066 -22.421 1.00 25.00 C ATOM 503 O THR A 33 3.988 -4.578 -21.323 1.00 25.00 O ATOM 504 CB THR A 33 2.274 -2.519 -22.693 1.00 25.00 C ATOM 505 OG1 THR A 33 1.081 -2.284 -23.438 1.00 25.00 O ATOM 506 CG2 THR A 33 3.104 -1.230 -22.688 1.00 25.00 C ATOM 0 H THR A 33 1.431 -4.924 -22.832 1.00 25.00 H new ATOM 0 HA THR A 33 3.391 -3.372 -24.318 1.00 25.00 H new ATOM 0 HB THR A 33 2.049 -2.790 -21.661 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.585 -1.541 -23.035 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.527 -0.428 -22.228 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.021 -1.390 -22.120 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.355 -0.955 -23.712 1.00 25.00 H new ATOM 514 N VAL A 34 5.422 -3.816 -22.871 1.00 25.00 N ATOM 515 CA VAL A 34 6.620 -4.076 -22.070 1.00 25.00 C ATOM 516 C VAL A 34 6.867 -2.823 -21.234 1.00 25.00 C ATOM 517 O VAL A 34 6.874 -1.698 -21.756 1.00 25.00 O ATOM 518 CB VAL A 34 7.843 -4.383 -22.971 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.094 -4.621 -22.107 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.583 -5.636 -23.842 1.00 25.00 C ATOM 0 H VAL A 34 5.615 -3.430 -23.795 1.00 25.00 H new ATOM 0 HA VAL A 34 6.475 -4.950 -21.436 1.00 25.00 H new ATOM 0 HB VAL A 34 8.005 -3.524 -23.622 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.946 -4.836 -22.752 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.302 -3.730 -21.515 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.921 -5.466 -21.441 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.455 -5.832 -24.466 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.397 -6.495 -23.197 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.714 -5.464 -24.477 1.00 25.00 H new ATOM 530 N LEU A 35 6.999 -3.016 -19.931 1.00 25.00 N ATOM 531 CA LEU A 35 7.146 -1.910 -18.996 1.00 25.00 C ATOM 532 C LEU A 35 8.554 -1.811 -18.427 1.00 25.00 C ATOM 533 O LEU A 35 9.027 -0.713 -18.173 1.00 25.00 O ATOM 534 CB LEU A 35 6.167 -2.086 -17.837 1.00 25.00 C ATOM 535 CG LEU A 35 4.673 -2.063 -18.195 1.00 25.00 C ATOM 536 CD1 LEU A 35 3.858 -2.355 -16.947 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.261 -0.704 -18.778 1.00 25.00 C ATOM 0 H LEU A 35 7.007 -3.937 -19.493 1.00 25.00 H new ATOM 0 HA LEU A 35 6.939 -0.995 -19.550 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.386 -3.034 -17.346 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.356 -1.298 -17.108 1.00 25.00 H new ATOM 0 HG LEU A 35 4.485 -2.824 -18.952 1.00 25.00 H new ATOM 0 HD11 LEU A 35 2.796 -2.340 -17.194 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.127 -3.337 -16.559 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.065 -1.597 -16.191 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.199 -0.719 -19.021 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.454 0.080 -18.046 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.837 -0.506 -19.682 1.00 25.00 H new ATOM 549 N GLU A 36 9.214 -2.946 -18.244 1.00 25.00 N ATOM 550 CA GLU A 36 10.590 -2.982 -17.733 1.00 25.00 C ATOM 551 C GLU A 36 11.253 -4.239 -18.295 1.00 25.00 C ATOM 552 O GLU A 36 10.554 -5.128 -18.774 1.00 25.00 O ATOM 553 CB GLU A 36 10.591 -2.993 -16.198 1.00 25.00 C ATOM 554 CG GLU A 36 11.968 -2.774 -15.552 1.00 25.00 C ATOM 555 CD GLU A 36 12.687 -1.562 -16.136 1.00 25.00 C ATOM 556 OE1 GLU A 36 13.340 -1.715 -17.200 1.00 25.00 O ATOM 557 OE2 GLU A 36 12.533 -0.453 -15.580 1.00 25.00 O ATOM 0 H GLU A 36 8.820 -3.866 -18.442 1.00 25.00 H new ATOM 0 HA GLU A 36 11.143 -2.096 -18.046 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.912 -2.218 -15.843 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.192 -3.948 -15.855 1.00 25.00 H new ATOM 0 HG2 GLU A 36 11.847 -2.640 -14.477 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.581 -3.663 -15.696 1.00 25.00 H new ATOM 564 N ARG A 37 12.581 -4.333 -18.251 1.00 25.00 N ATOM 565 CA ARG A 37 13.312 -5.510 -18.757 1.00 25.00 C ATOM 566 C ARG A 37 14.235 -6.072 -17.690 1.00 25.00 C ATOM 567 O ARG A 37 14.682 -5.340 -16.823 1.00 25.00 O ATOM 568 CB ARG A 37 14.126 -5.141 -19.996 1.00 25.00 C ATOM 569 CG ARG A 37 13.279 -4.607 -21.130 1.00 25.00 C ATOM 570 CD ARG A 37 14.061 -4.557 -22.421 1.00 25.00 C ATOM 571 NE ARG A 37 13.263 -3.936 -23.483 1.00 25.00 N ATOM 572 CZ ARG A 37 13.565 -3.948 -24.769 1.00 25.00 C ATOM 573 NH1 ARG A 37 14.637 -4.544 -25.235 1.00 25.00 N ATOM 574 NH2 ARG A 37 12.775 -3.340 -25.613 1.00 25.00 N ATOM 0 H ARG A 37 13.184 -3.605 -17.868 1.00 25.00 H new ATOM 0 HA ARG A 37 12.579 -6.271 -19.024 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.870 -4.393 -19.724 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.670 -6.021 -20.341 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.400 -5.238 -21.259 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.921 -3.608 -20.880 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.982 -3.993 -22.273 1.00 25.00 H new ATOM 0 HD3 ARG A 37 14.349 -5.566 -22.717 1.00 25.00 H new ATOM 0 HE ARG A 37 12.406 -3.456 -23.207 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.273 -5.021 -24.597 1.00 25.00 H new ATOM 0 HH12 ARG A 37 14.834 -4.530 -26.236 1.00 25.00 H new ATOM 0 HH21 ARG A 37 11.938 -2.864 -25.276 1.00 25.00 H new ATOM 0 HH22 ARG A 37 12.995 -3.341 -26.609 1.00 25.00 H new ATOM 588 N ASP A 38 14.491 -7.372 -17.780 1.00 25.00 N ATOM 589 CA ASP A 38 15.386 -8.108 -16.877 1.00 25.00 C ATOM 590 C ASP A 38 14.934 -7.899 -15.435 1.00 25.00 C ATOM 591 O ASP A 38 15.721 -7.701 -14.515 1.00 25.00 O ATOM 592 CB ASP A 38 16.839 -7.702 -17.129 1.00 25.00 C ATOM 593 CG ASP A 38 17.211 -7.790 -18.610 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.982 -6.938 -19.090 1.00 25.00 O ATOM 595 OD2 ASP A 38 16.630 -8.660 -19.315 1.00 25.00 O ATOM 0 H ASP A 38 14.074 -7.964 -18.499 1.00 25.00 H new ATOM 0 HA ASP A 38 15.333 -9.179 -17.074 1.00 25.00 H new ATOM 0 HB2 ASP A 38 16.997 -6.683 -16.776 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.501 -8.346 -16.550 1.00 25.00 H new ATOM 600 N THR A 39 13.618 -7.887 -15.275 1.00 25.00 N ATOM 601 CA THR A 39 12.963 -7.399 -14.065 1.00 25.00 C ATOM 602 C THR A 39 13.150 -8.264 -12.829 1.00 25.00 C ATOM 603 O THR A 39 12.856 -7.840 -11.714 1.00 25.00 O ATOM 604 CB THR A 39 11.444 -7.248 -14.336 1.00 25.00 C ATOM 605 OG1 THR A 39 10.806 -6.606 -13.232 1.00 25.00 O ATOM 606 CG2 THR A 39 10.772 -8.600 -14.554 1.00 25.00 C ATOM 0 H THR A 39 12.967 -8.218 -15.987 1.00 25.00 H new ATOM 0 HA THR A 39 13.445 -6.448 -13.840 1.00 25.00 H new ATOM 0 HB THR A 39 11.340 -6.648 -15.240 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.332 -6.755 -12.419 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.708 -8.452 -14.741 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.225 -9.097 -15.411 1.00 25.00 H new ATOM 0 HG23 THR A 39 10.902 -9.218 -13.666 1.00 25.00 H new ATOM 614 N GLN A 40 13.649 -9.473 -13.020 1.00 25.00 N ATOM 615 CA GLN A 40 13.901 -10.397 -11.915 1.00 25.00 C ATOM 616 C GLN A 40 15.406 -10.680 -11.813 1.00 25.00 C ATOM 617 O GLN A 40 15.838 -11.567 -11.090 1.00 25.00 O ATOM 618 CB GLN A 40 13.127 -11.698 -12.155 1.00 25.00 C ATOM 619 CG GLN A 40 12.776 -12.464 -10.875 1.00 25.00 C ATOM 620 CD GLN A 40 12.076 -13.767 -11.164 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.656 -14.022 -12.272 1.00 25.00 O ATOM 622 NE2 GLN A 40 11.967 -14.608 -10.169 1.00 25.00 N ATOM 0 H GLN A 40 13.892 -9.845 -13.938 1.00 25.00 H new ATOM 0 HA GLN A 40 13.565 -9.952 -10.978 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.206 -11.467 -12.691 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.718 -12.346 -12.802 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.687 -12.661 -10.310 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.139 -11.843 -10.245 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.332 -14.360 -9.249 1.00 25.00 H new ATOM 0 HE22 GLN A 40 11.517 -15.512 -10.312 1.00 25.00 H new ATOM 631 N GLY A 41 16.194 -9.968 -12.606 1.00 25.00 N ATOM 632 CA GLY A 41 17.617 -10.251 -12.698 1.00 25.00 C ATOM 633 C GLY A 41 17.875 -11.397 -13.654 1.00 25.00 C ATOM 634 O GLY A 41 19.016 -11.704 -13.980 1.00 25.00 O ATOM 0 H GLY A 41 15.874 -9.196 -13.191 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.148 -9.362 -13.037 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.008 -10.499 -11.711 1.00 25.00 H new ATOM 638 N LEU A 42 16.800 -12.011 -14.132 1.00 25.00 N ATOM 639 CA LEU A 42 16.902 -13.060 -15.143 1.00 25.00 C ATOM 640 C LEU A 42 17.027 -12.359 -16.481 1.00 25.00 C ATOM 641 O LEU A 42 16.181 -11.532 -16.847 1.00 25.00 O ATOM 642 CB LEU A 42 15.658 -13.967 -15.149 1.00 25.00 C ATOM 643 CG LEU A 42 15.408 -14.858 -13.924 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.076 -15.580 -14.098 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.535 -15.877 -13.725 1.00 25.00 C ATOM 0 H LEU A 42 15.846 -11.802 -13.837 1.00 25.00 H new ATOM 0 HA LEU A 42 17.760 -13.698 -14.933 1.00 25.00 H new ATOM 0 HB2 LEU A 42 14.783 -13.332 -15.284 1.00 25.00 H new ATOM 0 HB3 LEU A 42 15.721 -14.613 -16.024 1.00 25.00 H new ATOM 0 HG LEU A 42 15.380 -14.225 -13.037 1.00 25.00 H new ATOM 0 HD11 LEU A 42 13.891 -16.215 -13.232 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.274 -14.847 -14.189 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.110 -16.194 -14.998 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.322 -16.489 -12.848 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.607 -16.516 -14.605 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.479 -15.352 -13.580 1.00 25.00 H new ATOM 657 N ASP A 43 18.077 -12.690 -17.207 1.00 25.00 N ATOM 658 CA ASP A 43 18.343 -12.075 -18.497 1.00 25.00 C ATOM 659 C ASP A 43 17.224 -12.377 -19.486 1.00 25.00 C ATOM 660 O ASP A 43 16.763 -13.514 -19.614 1.00 25.00 O ATOM 661 CB ASP A 43 19.656 -12.605 -19.067 1.00 25.00 C ATOM 662 CG ASP A 43 19.963 -12.041 -20.445 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.972 -10.799 -20.600 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.139 -12.838 -21.391 1.00 25.00 O ATOM 0 H ASP A 43 18.766 -13.387 -16.924 1.00 25.00 H new ATOM 0 HA ASP A 43 18.407 -10.997 -18.347 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.470 -12.356 -18.387 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.610 -13.692 -19.125 1.00 25.00 H new ATOM 669 N GLY A 44 16.764 -11.340 -20.157 1.00 25.00 N ATOM 670 CA GLY A 44 15.739 -11.489 -21.168 1.00 25.00 C ATOM 671 C GLY A 44 14.320 -11.597 -20.644 1.00 25.00 C ATOM 672 O GLY A 44 13.402 -11.725 -21.441 1.00 25.00 O ATOM 0 H GLY A 44 17.086 -10.382 -20.019 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.794 -10.637 -21.846 1.00 25.00 H new ATOM 0 HA3 GLY A 44 15.960 -12.379 -21.757 1.00 25.00 H new ATOM 676 N TRP A 45 14.095 -11.554 -19.335 1.00 25.00 N ATOM 677 CA TRP A 45 12.732 -11.666 -18.796 1.00 25.00 C ATOM 678 C TRP A 45 12.149 -10.283 -18.550 1.00 25.00 C ATOM 679 O TRP A 45 12.587 -9.559 -17.668 1.00 25.00 O ATOM 680 CB TRP A 45 12.722 -12.504 -17.528 1.00 25.00 C ATOM 681 CG TRP A 45 12.863 -13.963 -17.841 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.003 -14.633 -18.125 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.812 -14.947 -17.927 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.770 -15.951 -18.360 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.431 -16.193 -18.244 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.417 -14.907 -17.758 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.694 -17.390 -18.392 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.669 -16.109 -17.890 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.322 -17.336 -18.210 1.00 25.00 C ATOM 0 H TRP A 45 14.824 -11.444 -18.630 1.00 25.00 H new ATOM 0 HA TRP A 45 12.105 -12.172 -19.530 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.536 -12.189 -16.875 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.793 -12.334 -16.984 1.00 25.00 H new ATOM 0 HD1 TRP A 45 14.981 -14.176 -18.161 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.480 -16.647 -18.586 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.920 -13.975 -17.531 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.186 -18.319 -18.640 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.599 -16.093 -17.747 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.737 -18.238 -18.312 1.00 25.00 H new ATOM 700 N TRP A 46 11.193 -9.900 -19.374 1.00 25.00 N ATOM 701 CA TRP A 46 10.659 -8.552 -19.346 1.00 25.00 C ATOM 702 C TRP A 46 9.370 -8.494 -18.543 1.00 25.00 C ATOM 703 O TRP A 46 8.559 -9.421 -18.595 1.00 25.00 O ATOM 704 CB TRP A 46 10.392 -8.081 -20.771 1.00 25.00 C ATOM 705 CG TRP A 46 11.610 -8.128 -21.670 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.915 -8.295 -21.312 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.630 -8.032 -23.107 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.744 -8.307 -22.391 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.992 -8.155 -23.525 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.634 -7.875 -24.091 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.371 -8.119 -24.880 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.010 -7.851 -25.458 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.378 -7.967 -25.834 1.00 25.00 C ATOM 0 H TRP A 46 10.768 -10.507 -20.075 1.00 25.00 H new ATOM 0 HA TRP A 46 11.392 -7.901 -18.870 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.607 -8.699 -21.207 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.014 -7.059 -20.741 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.251 -8.405 -20.292 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.758 -8.412 -22.360 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.597 -7.774 -23.808 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.408 -8.207 -25.168 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.252 -7.744 -26.220 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.646 -7.936 -26.880 1.00 25.00 H new ATOM 724 N LEU A 47 9.171 -7.395 -17.835 1.00 25.00 N ATOM 725 CA LEU A 47 7.933 -7.177 -17.111 1.00 25.00 C ATOM 726 C LEU A 47 6.958 -6.631 -18.129 1.00 25.00 C ATOM 727 O LEU A 47 7.142 -5.523 -18.648 1.00 25.00 O ATOM 728 CB LEU A 47 8.107 -6.146 -15.982 1.00 25.00 C ATOM 729 CG LEU A 47 6.859 -5.917 -15.110 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.532 -7.132 -14.244 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.096 -4.701 -14.223 1.00 25.00 C ATOM 0 H LEU A 47 9.852 -6.641 -17.747 1.00 25.00 H new ATOM 0 HA LEU A 47 7.595 -8.104 -16.649 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.926 -6.469 -15.339 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.403 -5.194 -16.423 1.00 25.00 H new ATOM 0 HG LEU A 47 6.007 -5.752 -15.770 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.644 -6.924 -13.646 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.345 -7.995 -14.883 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.373 -7.345 -13.584 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.218 -4.528 -13.600 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.963 -4.878 -13.587 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.276 -3.825 -14.847 1.00 25.00 H new ATOM 743 N CYS A 48 5.951 -7.410 -18.458 1.00 25.00 N ATOM 744 CA CYS A 48 4.949 -6.993 -19.417 1.00 25.00 C ATOM 745 C CYS A 48 3.625 -6.871 -18.703 1.00 25.00 C ATOM 746 O CYS A 48 3.464 -7.398 -17.612 1.00 25.00 O ATOM 747 CB CYS A 48 4.860 -8.015 -20.546 1.00 25.00 C ATOM 748 SG CYS A 48 6.459 -8.317 -21.324 1.00 25.00 S ATOM 0 H CYS A 48 5.803 -8.343 -18.073 1.00 25.00 H new ATOM 0 HA CYS A 48 5.217 -6.030 -19.851 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.466 -8.953 -20.154 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.154 -7.662 -21.298 1.00 25.00 H new ATOM 0 HG CYS A 48 7.303 -8.742 -20.431 1.00 25.00 H new ATOM 754 N SER A 49 2.684 -6.187 -19.322 1.00 25.00 N ATOM 755 CA SER A 49 1.337 -6.039 -18.776 1.00 25.00 C ATOM 756 C SER A 49 0.322 -6.505 -19.802 1.00 25.00 C ATOM 757 O SER A 49 0.409 -6.148 -20.983 1.00 25.00 O ATOM 758 CB SER A 49 1.075 -4.586 -18.391 1.00 25.00 C ATOM 759 OG SER A 49 -0.235 -4.409 -17.878 1.00 25.00 O ATOM 0 H SER A 49 2.824 -5.717 -20.216 1.00 25.00 H new ATOM 0 HA SER A 49 1.246 -6.651 -17.878 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.804 -4.270 -17.645 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.214 -3.947 -19.263 1.00 25.00 H new ATOM 0 HG SER A 49 -0.369 -3.468 -17.640 1.00 25.00 H new ATOM 765 N LEU A 50 -0.614 -7.330 -19.344 1.00 25.00 N ATOM 766 CA LEU A 50 -1.652 -7.920 -20.188 1.00 25.00 C ATOM 767 C LEU A 50 -2.814 -8.355 -19.286 1.00 25.00 C ATOM 768 O LEU A 50 -2.587 -8.841 -18.183 1.00 25.00 O ATOM 769 CB LEU A 50 -1.086 -9.136 -20.937 1.00 25.00 C ATOM 770 CG LEU A 50 -2.048 -9.814 -21.923 1.00 25.00 C ATOM 771 CD1 LEU A 50 -1.460 -9.824 -23.296 1.00 25.00 C ATOM 772 CD2 LEU A 50 -2.356 -11.245 -21.475 1.00 25.00 C ATOM 0 H LEU A 50 -0.675 -7.612 -18.366 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.999 -7.193 -20.922 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.196 -8.822 -21.483 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.766 -9.875 -20.203 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.978 -9.246 -21.941 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.153 -10.308 -23.985 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -1.280 -8.800 -23.622 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -0.518 -10.372 -23.284 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -3.039 -11.710 -22.186 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -1.431 -11.820 -21.432 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -2.817 -11.226 -20.488 1.00 25.00 H new ATOM 784 N HIS A 51 -4.045 -8.146 -19.741 1.00 25.00 N ATOM 785 CA HIS A 51 -5.260 -8.537 -18.993 1.00 25.00 C ATOM 786 C HIS A 51 -5.320 -7.885 -17.596 1.00 25.00 C ATOM 787 O HIS A 51 -5.907 -8.420 -16.654 1.00 25.00 O ATOM 788 CB HIS A 51 -5.351 -10.075 -18.888 1.00 25.00 C ATOM 789 CG HIS A 51 -6.753 -10.600 -18.813 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.624 -10.332 -17.792 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.442 -11.412 -19.661 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.772 -10.955 -18.042 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.717 -11.640 -19.165 1.00 25.00 N ATOM 0 H HIS A 51 -4.241 -7.701 -20.638 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.122 -8.169 -19.550 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.854 -10.518 -19.751 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.804 -10.401 -18.003 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -7.426 -9.752 -16.977 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.053 -11.818 -20.583 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.641 -10.905 -17.403 1.00 25.00 H new ATOM 801 N GLY A 52 -4.695 -6.724 -17.462 1.00 25.00 N ATOM 802 CA GLY A 52 -4.697 -6.002 -16.195 1.00 25.00 C ATOM 803 C GLY A 52 -3.683 -6.503 -15.186 1.00 25.00 C ATOM 804 O GLY A 52 -3.567 -5.943 -14.094 1.00 25.00 O ATOM 0 H GLY A 52 -4.181 -6.262 -18.212 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.505 -4.947 -16.392 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -5.692 -6.068 -15.755 1.00 25.00 H new ATOM 808 N ARG A 53 -2.922 -7.529 -15.537 1.00 25.00 N ATOM 809 CA ARG A 53 -1.875 -8.041 -14.662 1.00 25.00 C ATOM 810 C ARG A 53 -0.543 -7.633 -15.243 1.00 25.00 C ATOM 811 O ARG A 53 -0.423 -7.471 -16.444 1.00 25.00 O ATOM 812 CB ARG A 53 -1.910 -9.571 -14.576 1.00 25.00 C ATOM 813 CG ARG A 53 -3.186 -10.143 -14.001 1.00 25.00 C ATOM 814 CD ARG A 53 -2.982 -11.611 -13.680 1.00 25.00 C ATOM 815 NE ARG A 53 -4.212 -12.247 -13.169 1.00 25.00 N ATOM 816 CZ ARG A 53 -4.268 -13.446 -12.597 1.00 25.00 C ATOM 817 NH1 ARG A 53 -3.200 -14.181 -12.396 1.00 25.00 N ATOM 818 NH2 ARG A 53 -5.419 -13.919 -12.205 1.00 25.00 N ATOM 0 H ARG A 53 -3.010 -8.025 -16.424 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.027 -7.636 -13.662 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.762 -9.981 -15.575 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.071 -9.906 -13.967 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.468 -9.598 -13.100 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.003 -10.025 -14.713 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -2.650 -12.134 -14.577 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -2.188 -11.712 -12.940 1.00 25.00 H new ATOM 0 HE ARG A 53 -5.085 -11.728 -13.262 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -2.283 -13.837 -12.682 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -3.286 -15.096 -11.954 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -6.268 -13.370 -12.338 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -5.470 -14.838 -11.765 1.00 25.00 H new ATOM 832 N GLN A 54 0.455 -7.521 -14.391 1.00 25.00 N ATOM 833 CA GLN A 54 1.817 -7.288 -14.829 1.00 25.00 C ATOM 834 C GLN A 54 2.547 -8.529 -14.384 1.00 25.00 C ATOM 835 O GLN A 54 2.252 -9.055 -13.309 1.00 25.00 O ATOM 836 CB GLN A 54 2.404 -6.044 -14.173 1.00 25.00 C ATOM 837 CG GLN A 54 1.657 -4.772 -14.526 1.00 25.00 C ATOM 838 CD GLN A 54 2.052 -3.617 -13.636 1.00 25.00 C ATOM 839 OE1 GLN A 54 3.115 -3.059 -13.763 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.176 -3.249 -12.734 1.00 25.00 N ATOM 0 H GLN A 54 0.346 -7.588 -13.379 1.00 25.00 H new ATOM 0 HA GLN A 54 1.890 -7.113 -15.902 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.396 -6.174 -13.091 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.447 -5.940 -14.474 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.855 -4.512 -15.566 1.00 25.00 H new ATOM 0 HG3 GLN A 54 0.584 -4.946 -14.439 1.00 25.00 H new ATOM 0 HE21 GLN A 54 0.287 -3.743 -12.655 1.00 25.00 H new ATOM 0 HE22 GLN A 54 1.383 -2.468 -12.111 1.00 25.00 H new ATOM 849 N GLY A 55 3.446 -9.028 -15.207 1.00 25.00 N ATOM 850 CA GLY A 55 4.144 -10.263 -14.892 1.00 25.00 C ATOM 851 C GLY A 55 5.316 -10.507 -15.817 1.00 25.00 C ATOM 852 O GLY A 55 5.480 -9.814 -16.832 1.00 25.00 O ATOM 0 H GLY A 55 3.711 -8.602 -16.095 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.498 -10.226 -13.862 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.449 -11.099 -14.961 1.00 25.00 H new ATOM 856 N ILE A 56 6.155 -11.470 -15.461 1.00 25.00 N ATOM 857 CA ILE A 56 7.356 -11.767 -16.232 1.00 25.00 C ATOM 858 C ILE A 56 6.987 -12.543 -17.497 1.00 25.00 C ATOM 859 O ILE A 56 6.078 -13.385 -17.504 1.00 25.00 O ATOM 860 CB ILE A 56 8.422 -12.537 -15.382 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.972 -13.980 -15.053 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.707 -11.752 -14.068 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.020 -14.828 -14.342 1.00 25.00 C ATOM 0 H ILE A 56 6.026 -12.061 -14.640 1.00 25.00 H new ATOM 0 HA ILE A 56 7.813 -10.821 -16.523 1.00 25.00 H new ATOM 0 HB ILE A 56 9.333 -12.610 -15.976 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.078 -13.934 -14.431 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.689 -14.478 -15.980 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.449 -12.289 -13.477 1.00 25.00 H new ATOM 0 HG22 ILE A 56 9.086 -10.760 -14.312 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.785 -11.657 -13.494 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.616 -15.822 -14.152 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.908 -14.911 -14.969 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.287 -14.358 -13.395 1.00 25.00 H new ATOM 875 N VAL A 57 7.671 -12.215 -18.584 1.00 25.00 N ATOM 876 CA VAL A 57 7.470 -12.866 -19.873 1.00 25.00 C ATOM 877 C VAL A 57 8.853 -13.018 -20.509 1.00 25.00 C ATOM 878 O VAL A 57 9.631 -12.064 -20.530 1.00 25.00 O ATOM 879 CB VAL A 57 6.581 -11.995 -20.821 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.451 -12.627 -22.206 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.187 -11.785 -20.217 1.00 25.00 C ATOM 0 H VAL A 57 8.385 -11.486 -18.598 1.00 25.00 H new ATOM 0 HA VAL A 57 6.969 -13.823 -19.727 1.00 25.00 H new ATOM 0 HB VAL A 57 7.074 -11.029 -20.929 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.827 -11.995 -22.837 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.439 -12.726 -22.655 1.00 25.00 H new ATOM 0 HG13 VAL A 57 5.994 -13.612 -22.115 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.586 -11.177 -20.893 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.704 -12.751 -20.072 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.279 -11.277 -19.257 1.00 25.00 H new ATOM 891 N PRO A 58 9.186 -14.206 -21.042 1.00 25.00 N ATOM 892 CA PRO A 58 10.497 -14.287 -21.698 1.00 25.00 C ATOM 893 C PRO A 58 10.522 -13.490 -23.005 1.00 25.00 C ATOM 894 O PRO A 58 9.833 -13.819 -23.972 1.00 25.00 O ATOM 895 CB PRO A 58 10.678 -15.791 -21.918 1.00 25.00 C ATOM 896 CG PRO A 58 9.284 -16.320 -22.045 1.00 25.00 C ATOM 897 CD PRO A 58 8.454 -15.488 -21.117 1.00 25.00 C ATOM 0 HA PRO A 58 11.306 -13.853 -21.111 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.263 -15.994 -22.815 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.204 -16.254 -21.083 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.926 -16.239 -23.071 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.238 -17.375 -21.774 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.443 -15.349 -21.500 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.362 -15.954 -20.136 1.00 25.00 H new ATOM 905 N GLY A 59 11.323 -12.441 -23.035 1.00 25.00 N ATOM 906 CA GLY A 59 11.395 -11.547 -24.181 1.00 25.00 C ATOM 907 C GLY A 59 11.892 -12.190 -25.450 1.00 25.00 C ATOM 908 O GLY A 59 11.577 -11.743 -26.539 1.00 25.00 O ATOM 0 H GLY A 59 11.943 -12.183 -22.267 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.404 -11.132 -24.364 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.049 -10.712 -23.932 1.00 25.00 H new ATOM 912 N ASN A 60 12.616 -13.289 -25.311 1.00 25.00 N ATOM 913 CA ASN A 60 13.078 -14.066 -26.463 1.00 25.00 C ATOM 914 C ASN A 60 11.892 -14.653 -27.251 1.00 25.00 C ATOM 915 O ASN A 60 11.991 -14.956 -28.435 1.00 25.00 O ATOM 916 CB ASN A 60 14.007 -15.185 -25.968 1.00 25.00 C ATOM 917 CG ASN A 60 14.847 -15.780 -27.080 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.016 -15.195 -28.131 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.389 -16.948 -26.839 1.00 25.00 N ATOM 0 H ASN A 60 12.901 -13.669 -24.408 1.00 25.00 H new ATOM 0 HA ASN A 60 13.624 -13.409 -27.141 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.664 -14.790 -25.193 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.409 -15.972 -25.509 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.974 -17.394 -27.545 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.226 -17.411 -25.945 1.00 25.00 H new ATOM 926 N ARG A 61 10.754 -14.810 -26.588 1.00 25.00 N ATOM 927 CA ARG A 61 9.539 -15.316 -27.237 1.00 25.00 C ATOM 928 C ARG A 61 8.682 -14.180 -27.771 1.00 25.00 C ATOM 929 O ARG A 61 7.551 -14.423 -28.222 1.00 25.00 O ATOM 930 CB ARG A 61 8.704 -16.150 -26.257 1.00 25.00 C ATOM 931 CG ARG A 61 9.378 -17.436 -25.799 1.00 25.00 C ATOM 932 CD ARG A 61 8.348 -18.384 -25.185 1.00 25.00 C ATOM 933 NE ARG A 61 8.940 -19.669 -24.770 1.00 25.00 N ATOM 934 CZ ARG A 61 8.253 -20.748 -24.409 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.944 -20.780 -24.404 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.897 -21.821 -24.043 1.00 25.00 N ATOM 0 H ARG A 61 10.641 -14.595 -25.597 1.00 25.00 H new ATOM 0 HA ARG A 61 9.859 -15.942 -28.070 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.476 -15.541 -25.382 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.753 -16.399 -26.728 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.868 -17.919 -26.644 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.154 -17.208 -25.068 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.887 -17.904 -24.322 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.554 -18.570 -25.908 1.00 25.00 H new ATOM 0 HE ARG A 61 9.958 -19.735 -24.759 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.413 -19.956 -24.684 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.456 -21.629 -24.120 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.917 -21.826 -24.036 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.381 -22.655 -23.764 1.00 25.00 H new ATOM 950 N LEU A 62 9.176 -12.954 -27.709 1.00 25.00 N ATOM 951 CA LEU A 62 8.420 -11.777 -28.131 1.00 25.00 C ATOM 952 C LEU A 62 9.108 -11.067 -29.276 1.00 25.00 C ATOM 953 O LEU A 62 10.323 -11.093 -29.398 1.00 25.00 O ATOM 954 CB LEU A 62 8.292 -10.782 -26.963 1.00 25.00 C ATOM 955 CG LEU A 62 7.625 -11.245 -25.660 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.595 -10.063 -24.669 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.212 -11.764 -25.919 1.00 25.00 C ATOM 0 H LEU A 62 10.113 -12.742 -27.365 1.00 25.00 H new ATOM 0 HA LEU A 62 7.437 -12.120 -28.452 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.295 -10.436 -26.714 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.738 -9.917 -27.327 1.00 25.00 H new ATOM 0 HG LEU A 62 8.201 -12.067 -25.235 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.123 -10.380 -23.739 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.614 -9.733 -24.465 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.027 -9.240 -25.102 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.764 -12.085 -24.978 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.607 -10.970 -26.357 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.255 -12.608 -26.607 1.00 25.00 H new ATOM 969 N LYS A 63 8.329 -10.376 -30.095 1.00 25.00 N ATOM 970 CA LYS A 63 8.882 -9.530 -31.149 1.00 25.00 C ATOM 971 C LYS A 63 8.378 -8.113 -30.984 1.00 25.00 C ATOM 972 O LYS A 63 7.180 -7.863 -31.060 1.00 25.00 O ATOM 973 CB LYS A 63 8.517 -10.081 -32.524 1.00 25.00 C ATOM 974 CG LYS A 63 9.257 -9.381 -33.656 1.00 25.00 C ATOM 975 CD LYS A 63 9.028 -10.071 -34.987 1.00 25.00 C ATOM 976 CE LYS A 63 9.893 -9.429 -36.069 1.00 25.00 C ATOM 977 NZ LYS A 63 9.770 -10.140 -37.395 1.00 25.00 N ATOM 0 H LYS A 63 7.310 -10.383 -30.052 1.00 25.00 H new ATOM 0 HA LYS A 63 9.969 -9.525 -31.068 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.741 -11.147 -32.554 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.443 -9.977 -32.679 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.925 -8.345 -33.722 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.324 -9.361 -33.435 1.00 25.00 H new ATOM 0 HD2 LYS A 63 9.267 -11.131 -34.901 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.976 -10.003 -35.264 1.00 25.00 H new ATOM 0 HE2 LYS A 63 9.604 -8.385 -36.190 1.00 25.00 H new ATOM 0 HE3 LYS A 63 10.935 -9.436 -35.750 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 10.374 -9.670 -38.099 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 10.070 -11.130 -37.287 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 8.781 -10.111 -37.714 1.00 25.00 H new ATOM 991 N ILE A 64 9.306 -7.192 -30.748 1.00 25.00 N ATOM 992 CA ILE A 64 8.981 -5.776 -30.560 1.00 25.00 C ATOM 993 C ILE A 64 8.365 -5.237 -31.847 1.00 25.00 C ATOM 994 O ILE A 64 8.861 -5.491 -32.952 1.00 25.00 O ATOM 995 CB ILE A 64 10.273 -4.957 -30.224 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.868 -5.391 -28.861 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.982 -3.427 -30.226 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.037 -4.981 -27.622 1.00 25.00 C ATOM 0 H ILE A 64 10.302 -7.401 -30.681 1.00 25.00 H new ATOM 0 HA ILE A 64 8.279 -5.677 -29.732 1.00 25.00 H new ATOM 0 HB ILE A 64 11.008 -5.167 -31.001 1.00 25.00 H new ATOM 0 HG12 ILE A 64 10.982 -6.475 -28.860 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.867 -4.966 -28.766 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.896 -2.882 -29.990 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.624 -3.126 -31.211 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.221 -3.200 -29.479 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.536 -5.330 -26.718 1.00 25.00 H new ATOM 0 HD12 ILE A 64 9.944 -3.895 -27.589 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.045 -5.428 -27.685 1.00 25.00 H new