USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.42) 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= 0.584 K(o=0.58,f=-0.014) USER MOD Single : A 20 SER OG : rot 180:sc= -0.152 USER MOD Single : A 25 SER OG : rot 19:sc= 0.712 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -179:sc= -1.52 (180deg=-1.53) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 40 GLN : amide:sc= -0.0045 K(o=-0.0045,f=-0.81) USER MOD Single : A 48 CYS SG : rot 59:sc= -1.17 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc=-0.00347 X(o=-0.0035,f=0) USER MOD Single : A 54 GLN : amide:sc=-0.00681 K(o=-0.0068,f=-2.2!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.361 2.110 -20.047 1.00 25.00 N ATOM 81 CA LEU A 6 9.745 1.912 -21.449 1.00 25.00 C ATOM 82 C LEU A 6 8.549 2.158 -22.359 1.00 25.00 C ATOM 83 O LEU A 6 8.677 2.799 -23.393 1.00 25.00 O ATOM 84 CB LEU A 6 10.264 0.490 -21.675 1.00 25.00 C ATOM 85 CG LEU A 6 11.565 0.111 -20.948 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.814 -1.376 -21.113 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.768 0.893 -21.483 1.00 25.00 C ATOM 0 HA LEU A 6 10.539 2.621 -21.685 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.486 -0.210 -21.369 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.417 0.349 -22.745 1.00 25.00 H new ATOM 0 HG LEU A 6 11.448 0.364 -19.894 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.736 -1.650 -20.599 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.981 -1.934 -20.686 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.905 -1.614 -22.173 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.666 0.594 -20.942 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.897 0.681 -22.544 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.599 1.961 -21.344 1.00 25.00 H new ATOM 99 N ASN A 7 7.399 1.638 -21.943 1.00 25.00 N ATOM 100 CA ASN A 7 6.127 1.803 -22.659 1.00 25.00 C ATOM 101 C ASN A 7 6.224 1.444 -24.152 1.00 25.00 C ATOM 102 O ASN A 7 5.732 2.163 -25.020 1.00 25.00 O ATOM 103 CB ASN A 7 5.603 3.235 -22.495 1.00 25.00 C ATOM 104 CG ASN A 7 4.142 3.353 -22.848 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.323 2.563 -22.409 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.805 4.342 -23.628 1.00 25.00 N ATOM 0 H ASN A 7 7.317 1.083 -21.091 1.00 25.00 H new ATOM 0 HA ASN A 7 5.425 1.100 -22.210 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.753 3.559 -21.465 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.183 3.907 -23.128 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.828 4.475 -23.890 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.518 4.983 -23.976 1.00 25.00 H new ATOM 113 N VAL A 8 6.851 0.315 -24.433 1.00 25.00 N ATOM 114 CA VAL A 8 6.956 -0.209 -25.792 1.00 25.00 C ATOM 115 C VAL A 8 6.090 -1.456 -25.765 1.00 25.00 C ATOM 116 O VAL A 8 5.669 -1.863 -24.700 1.00 25.00 O ATOM 117 CB VAL A 8 8.430 -0.532 -26.180 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.248 0.753 -26.259 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.081 -1.513 -25.182 1.00 25.00 C ATOM 0 H VAL A 8 7.303 -0.268 -23.728 1.00 25.00 H new ATOM 0 HA VAL A 8 6.630 0.510 -26.543 1.00 25.00 H new ATOM 0 HB VAL A 8 8.416 -1.012 -27.158 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.276 0.514 -26.531 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.818 1.413 -27.012 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.236 1.252 -25.290 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.108 -1.714 -25.487 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.078 -1.073 -24.185 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.518 -2.446 -25.169 1.00 25.00 H new ATOM 129 N LEU A 9 5.806 -2.067 -26.900 1.00 25.00 N ATOM 130 CA LEU A 9 4.938 -3.244 -26.918 1.00 25.00 C ATOM 131 C LEU A 9 5.474 -4.303 -27.852 1.00 25.00 C ATOM 132 O LEU A 9 6.316 -4.036 -28.714 1.00 25.00 O ATOM 133 CB LEU A 9 3.500 -2.863 -27.301 1.00 25.00 C ATOM 134 CG LEU A 9 3.346 -1.970 -28.537 1.00 25.00 C ATOM 135 CD1 LEU A 9 2.207 -2.465 -29.415 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.086 -0.536 -28.081 1.00 25.00 C ATOM 0 H LEU A 9 6.155 -1.778 -27.814 1.00 25.00 H new ATOM 0 HA LEU A 9 4.924 -3.658 -25.910 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.935 -3.780 -27.468 1.00 25.00 H new ATOM 0 HB3 LEU A 9 3.042 -2.356 -26.452 1.00 25.00 H new ATOM 0 HG LEU A 9 4.262 -2.005 -29.127 1.00 25.00 H new ATOM 0 HD11 LEU A 9 2.113 -1.819 -30.288 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.414 -3.485 -29.740 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.276 -2.447 -28.848 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.975 0.109 -28.953 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.173 -0.503 -27.487 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.925 -0.188 -27.478 1.00 25.00 H new ATOM 148 N ALA A 10 5.020 -5.524 -27.633 1.00 25.00 N ATOM 149 CA ALA A 10 5.510 -6.665 -28.370 1.00 25.00 C ATOM 150 C ALA A 10 4.395 -7.661 -28.658 1.00 25.00 C ATOM 151 O ALA A 10 3.456 -7.813 -27.881 1.00 25.00 O ATOM 152 CB ALA A 10 6.624 -7.338 -27.567 1.00 25.00 C ATOM 0 H ALA A 10 4.304 -5.748 -26.941 1.00 25.00 H new ATOM 0 HA ALA A 10 5.899 -6.321 -29.328 1.00 25.00 H new ATOM 0 HB1 ALA A 10 6.999 -8.201 -28.117 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.436 -6.629 -27.406 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.232 -7.665 -26.604 1.00 25.00 H new ATOM 158 N LYS A 11 4.552 -8.376 -29.760 1.00 25.00 N ATOM 159 CA LYS A 11 3.651 -9.461 -30.130 1.00 25.00 C ATOM 160 C LYS A 11 4.296 -10.757 -29.678 1.00 25.00 C ATOM 161 O LYS A 11 5.476 -10.986 -29.958 1.00 25.00 O ATOM 162 CB LYS A 11 3.471 -9.487 -31.649 1.00 25.00 C ATOM 163 CG LYS A 11 2.533 -10.595 -32.159 1.00 25.00 C ATOM 164 CD LYS A 11 3.189 -11.425 -33.258 1.00 25.00 C ATOM 165 CE LYS A 11 3.423 -10.577 -34.510 1.00 25.00 C ATOM 166 NZ LYS A 11 4.034 -11.377 -35.616 1.00 25.00 N ATOM 0 H LYS A 11 5.309 -8.222 -30.426 1.00 25.00 H new ATOM 0 HA LYS A 11 2.675 -9.327 -29.665 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.083 -8.521 -31.973 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.448 -9.611 -32.116 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.252 -11.245 -31.330 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.614 -10.148 -32.539 1.00 25.00 H new ATOM 0 HD2 LYS A 11 4.138 -11.825 -32.901 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.556 -12.278 -33.503 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.475 -10.156 -34.846 1.00 25.00 H new ATOM 0 HE3 LYS A 11 4.075 -9.739 -34.265 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 4.177 -10.768 -36.447 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 4.950 -11.758 -35.304 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 3.400 -12.162 -35.868 1.00 25.00 H new ATOM 180 N ALA A 12 3.547 -11.607 -29.001 1.00 25.00 N ATOM 181 CA ALA A 12 4.077 -12.897 -28.587 1.00 25.00 C ATOM 182 C ALA A 12 4.170 -13.823 -29.797 1.00 25.00 C ATOM 183 O ALA A 12 3.279 -13.864 -30.652 1.00 25.00 O ATOM 184 CB ALA A 12 3.194 -13.505 -27.514 1.00 25.00 C ATOM 0 H ALA A 12 2.580 -11.433 -28.727 1.00 25.00 H new ATOM 0 HA ALA A 12 5.075 -12.761 -28.170 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.601 -14.470 -27.212 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.159 -12.840 -26.651 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.187 -13.643 -27.907 1.00 25.00 H new ATOM 190 N LEU A 13 5.264 -14.561 -29.865 1.00 25.00 N ATOM 191 CA LEU A 13 5.508 -15.507 -30.948 1.00 25.00 C ATOM 192 C LEU A 13 5.093 -16.914 -30.529 1.00 25.00 C ATOM 193 O LEU A 13 4.840 -17.773 -31.370 1.00 25.00 O ATOM 194 CB LEU A 13 6.999 -15.511 -31.306 1.00 25.00 C ATOM 195 CG LEU A 13 7.576 -14.181 -31.814 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.091 -14.310 -31.951 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.960 -13.798 -33.169 1.00 25.00 C ATOM 0 H LEU A 13 6.011 -14.524 -29.172 1.00 25.00 H new ATOM 0 HA LEU A 13 4.919 -15.202 -31.813 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.563 -15.815 -30.424 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.167 -16.271 -32.069 1.00 25.00 H new ATOM 0 HG LEU A 13 7.334 -13.396 -31.097 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.505 -13.368 -32.311 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.525 -14.549 -30.980 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.326 -15.104 -32.659 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.385 -12.853 -33.508 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.177 -14.576 -33.901 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.880 -13.693 -33.061 1.00 25.00 H new ATOM 209 N TYR A 14 5.027 -17.128 -29.224 1.00 25.00 N ATOM 210 CA TYR A 14 4.671 -18.423 -28.647 1.00 25.00 C ATOM 211 C TYR A 14 3.552 -18.184 -27.648 1.00 25.00 C ATOM 212 O TYR A 14 3.374 -17.061 -27.185 1.00 25.00 O ATOM 213 CB TYR A 14 5.877 -19.037 -27.931 1.00 25.00 C ATOM 214 CG TYR A 14 7.068 -19.264 -28.838 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.026 -18.249 -29.036 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.252 -20.494 -29.496 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.149 -18.456 -29.873 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.381 -20.707 -30.338 1.00 25.00 C ATOM 219 CZ TYR A 14 9.316 -19.682 -30.519 1.00 25.00 C ATOM 220 OH TYR A 14 10.404 -19.869 -31.336 1.00 25.00 O ATOM 0 H TYR A 14 5.219 -16.407 -28.529 1.00 25.00 H new ATOM 0 HA TYR A 14 4.355 -19.112 -29.431 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.174 -18.383 -27.111 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.581 -19.988 -27.489 1.00 25.00 H new ATOM 0 HD1 TYR A 14 7.901 -17.297 -28.541 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.529 -21.285 -29.361 1.00 25.00 H new ATOM 0 HE1 TYR A 14 9.874 -17.668 -30.011 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.515 -21.656 -30.835 1.00 25.00 H new ATOM 0 HH TYR A 14 10.379 -20.774 -31.711 1.00 25.00 H new ATOM 230 N ASP A 15 2.816 -19.227 -27.315 1.00 25.00 N ATOM 231 CA ASP A 15 1.773 -19.166 -26.295 1.00 25.00 C ATOM 232 C ASP A 15 2.312 -19.749 -25.005 1.00 25.00 C ATOM 233 O ASP A 15 3.240 -20.555 -25.020 1.00 25.00 O ATOM 234 CB ASP A 15 0.500 -19.921 -26.733 1.00 25.00 C ATOM 235 CG ASP A 15 0.779 -21.317 -27.291 1.00 25.00 C ATOM 236 OD1 ASP A 15 0.067 -22.252 -26.887 1.00 25.00 O ATOM 237 OD2 ASP A 15 1.554 -21.440 -28.271 1.00 25.00 O ATOM 0 H ASP A 15 2.921 -20.147 -27.743 1.00 25.00 H new ATOM 0 HA ASP A 15 1.494 -18.123 -26.146 1.00 25.00 H new ATOM 0 HB2 ASP A 15 -0.173 -20.007 -25.880 1.00 25.00 H new ATOM 0 HB3 ASP A 15 -0.019 -19.333 -27.490 1.00 25.00 H new ATOM 242 N ASN A 16 1.755 -19.290 -23.893 1.00 25.00 N ATOM 243 CA ASN A 16 2.201 -19.691 -22.560 1.00 25.00 C ATOM 244 C ASN A 16 1.085 -19.506 -21.532 1.00 25.00 C ATOM 245 O ASN A 16 0.238 -18.619 -21.675 1.00 25.00 O ATOM 246 CB ASN A 16 3.380 -18.815 -22.149 1.00 25.00 C ATOM 247 CG ASN A 16 4.125 -19.369 -20.979 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.655 -20.465 -21.044 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.185 -18.623 -19.922 1.00 25.00 N ATOM 0 H ASN A 16 0.979 -18.628 -23.887 1.00 25.00 H new ATOM 0 HA ASN A 16 2.485 -20.743 -22.593 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.062 -18.710 -22.993 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.018 -17.816 -21.905 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.692 -18.946 -19.098 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.726 -17.712 -19.914 1.00 25.00 H new ATOM 256 N VAL A 17 1.096 -20.306 -20.482 1.00 25.00 N ATOM 257 CA VAL A 17 0.124 -20.203 -19.409 1.00 25.00 C ATOM 258 C VAL A 17 0.891 -19.828 -18.160 1.00 25.00 C ATOM 259 O VAL A 17 2.076 -20.107 -18.067 1.00 25.00 O ATOM 260 CB VAL A 17 -0.631 -21.535 -19.212 1.00 25.00 C ATOM 261 CG1 VAL A 17 -1.605 -21.764 -20.378 1.00 25.00 C ATOM 262 CG2 VAL A 17 0.326 -22.726 -19.091 1.00 25.00 C ATOM 0 H VAL A 17 1.782 -21.049 -20.349 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.630 -19.451 -19.643 1.00 25.00 H new ATOM 0 HB VAL A 17 -1.186 -21.462 -18.277 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -2.133 -22.706 -20.231 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -2.325 -20.946 -20.417 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.049 -21.802 -21.315 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.249 -23.642 -18.954 1.00 25.00 H new ATOM 0 HG22 VAL A 17 0.924 -22.806 -19.999 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.984 -22.579 -18.235 1.00 25.00 H new ATOM 272 N ALA A 18 0.250 -19.121 -17.245 1.00 25.00 N ATOM 273 CA ALA A 18 0.921 -18.706 -16.024 1.00 25.00 C ATOM 274 C ALA A 18 0.910 -19.900 -15.068 1.00 25.00 C ATOM 275 O ALA A 18 -0.137 -20.252 -14.534 1.00 25.00 O ATOM 276 CB ALA A 18 0.176 -17.513 -15.409 1.00 25.00 C ATOM 0 H ALA A 18 -0.723 -18.825 -17.322 1.00 25.00 H new ATOM 0 HA ALA A 18 1.947 -18.395 -16.224 1.00 25.00 H new ATOM 0 HB1 ALA A 18 0.680 -17.202 -14.494 1.00 25.00 H new ATOM 0 HB2 ALA A 18 0.168 -16.685 -16.118 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -0.849 -17.804 -15.179 1.00 25.00 H new ATOM 282 N GLU A 19 2.080 -20.474 -14.835 1.00 25.00 N ATOM 283 CA GLU A 19 2.224 -21.604 -13.912 1.00 25.00 C ATOM 284 C GLU A 19 2.602 -21.036 -12.545 1.00 25.00 C ATOM 285 O GLU A 19 2.601 -21.727 -11.530 1.00 25.00 O ATOM 286 CB GLU A 19 3.312 -22.572 -14.407 1.00 25.00 C ATOM 287 CG GLU A 19 3.051 -23.197 -15.798 1.00 25.00 C ATOM 288 CD GLU A 19 1.947 -24.269 -15.806 1.00 25.00 C ATOM 289 OE1 GLU A 19 1.348 -24.556 -14.744 1.00 25.00 O ATOM 290 OE2 GLU A 19 1.696 -24.842 -16.892 1.00 25.00 O ATOM 0 H GLU A 19 2.953 -20.178 -15.272 1.00 25.00 H new ATOM 0 HA GLU A 19 1.290 -22.163 -13.850 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.263 -22.040 -14.437 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.420 -23.376 -13.679 1.00 25.00 H new ATOM 0 HG2 GLU A 19 2.779 -22.405 -16.495 1.00 25.00 H new ATOM 0 HG3 GLU A 19 3.977 -23.641 -16.165 1.00 25.00 H new ATOM 297 N SER A 20 2.889 -19.743 -12.540 1.00 25.00 N ATOM 298 CA SER A 20 3.227 -19.003 -11.326 1.00 25.00 C ATOM 299 C SER A 20 2.442 -17.707 -11.372 1.00 25.00 C ATOM 300 O SER A 20 2.203 -17.182 -12.457 1.00 25.00 O ATOM 301 CB SER A 20 4.721 -18.678 -11.312 1.00 25.00 C ATOM 302 OG SER A 20 5.061 -17.870 -10.196 1.00 25.00 O ATOM 0 H SER A 20 2.895 -19.170 -13.384 1.00 25.00 H new ATOM 0 HA SER A 20 2.989 -19.588 -10.438 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.297 -19.603 -11.283 1.00 25.00 H new ATOM 0 HB3 SER A 20 4.992 -18.163 -12.233 1.00 25.00 H new ATOM 0 HG SER A 20 6.022 -17.679 -10.211 1.00 25.00 H new ATOM 308 N PRO A 21 2.052 -17.153 -10.210 1.00 25.00 N ATOM 309 CA PRO A 21 1.331 -15.879 -10.297 1.00 25.00 C ATOM 310 C PRO A 21 2.201 -14.712 -10.767 1.00 25.00 C ATOM 311 O PRO A 21 1.684 -13.693 -11.218 1.00 25.00 O ATOM 312 CB PRO A 21 0.863 -15.662 -8.861 1.00 25.00 C ATOM 313 CG PRO A 21 1.894 -16.332 -8.033 1.00 25.00 C ATOM 314 CD PRO A 21 2.208 -17.582 -8.806 1.00 25.00 C ATOM 0 HA PRO A 21 0.529 -15.918 -11.034 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.790 -14.601 -8.623 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -0.123 -16.095 -8.695 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.777 -15.706 -7.907 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.521 -16.561 -7.035 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.218 -17.939 -8.603 1.00 25.00 H new ATOM 0 HD3 PRO A 21 1.526 -18.394 -8.554 1.00 25.00 H new ATOM 322 N ASP A 22 3.515 -14.871 -10.663 1.00 25.00 N ATOM 323 CA ASP A 22 4.463 -13.847 -11.097 1.00 25.00 C ATOM 324 C ASP A 22 4.632 -13.872 -12.616 1.00 25.00 C ATOM 325 O ASP A 22 5.175 -12.943 -13.212 1.00 25.00 O ATOM 326 CB ASP A 22 5.827 -14.113 -10.448 1.00 25.00 C ATOM 327 CG ASP A 22 5.784 -14.003 -8.940 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.666 -15.057 -8.279 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.880 -12.874 -8.413 1.00 25.00 O ATOM 0 H ASP A 22 3.953 -15.708 -10.278 1.00 25.00 H new ATOM 0 HA ASP A 22 4.079 -12.872 -10.797 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.170 -15.110 -10.726 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.556 -13.404 -10.840 1.00 25.00 H new ATOM 334 N GLU A 23 4.192 -14.957 -13.237 1.00 25.00 N ATOM 335 CA GLU A 23 4.327 -15.160 -14.674 1.00 25.00 C ATOM 336 C GLU A 23 3.087 -14.657 -15.409 1.00 25.00 C ATOM 337 O GLU A 23 1.968 -14.822 -14.932 1.00 25.00 O ATOM 338 CB GLU A 23 4.493 -16.657 -14.936 1.00 25.00 C ATOM 339 CG GLU A 23 4.884 -16.984 -16.356 1.00 25.00 C ATOM 340 CD GLU A 23 5.084 -18.470 -16.567 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.834 -18.835 -17.501 1.00 25.00 O ATOM 342 OE2 GLU A 23 4.479 -19.276 -15.823 1.00 25.00 O ATOM 0 H GLU A 23 3.728 -15.727 -12.755 1.00 25.00 H new ATOM 0 HA GLU A 23 5.193 -14.605 -15.036 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.250 -17.054 -14.259 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.557 -17.164 -14.700 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.112 -16.623 -17.036 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.804 -16.456 -16.609 1.00 25.00 H new ATOM 349 N LEU A 24 3.263 -14.076 -16.587 1.00 25.00 N ATOM 350 CA LEU A 24 2.105 -13.660 -17.367 1.00 25.00 C ATOM 351 C LEU A 24 1.685 -14.746 -18.345 1.00 25.00 C ATOM 352 O LEU A 24 2.496 -15.282 -19.089 1.00 25.00 O ATOM 353 CB LEU A 24 2.393 -12.374 -18.139 1.00 25.00 C ATOM 354 CG LEU A 24 1.447 -11.207 -17.810 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.874 -9.996 -18.601 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.020 -11.526 -18.108 1.00 25.00 C ATOM 0 H LEU A 24 4.169 -13.886 -17.015 1.00 25.00 H new ATOM 0 HA LEU A 24 1.293 -13.479 -16.663 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.417 -12.064 -17.934 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.332 -12.585 -19.207 1.00 25.00 H new ATOM 0 HG LEU A 24 1.516 -11.018 -16.739 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.210 -9.162 -18.376 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.896 -9.729 -18.334 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.825 -10.221 -19.666 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.638 -10.665 -17.855 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.134 -11.757 -19.167 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.334 -12.384 -17.514 1.00 25.00 H new ATOM 368 N SER A 25 0.387 -15.011 -18.387 1.00 25.00 N ATOM 369 CA SER A 25 -0.179 -15.897 -19.398 1.00 25.00 C ATOM 370 C SER A 25 -0.376 -15.064 -20.660 1.00 25.00 C ATOM 371 O SER A 25 -0.867 -13.933 -20.579 1.00 25.00 O ATOM 372 CB SER A 25 -1.537 -16.409 -18.931 1.00 25.00 C ATOM 373 OG SER A 25 -2.386 -15.304 -18.648 1.00 25.00 O ATOM 0 H SER A 25 -0.295 -14.626 -17.734 1.00 25.00 H new ATOM 0 HA SER A 25 0.478 -16.748 -19.577 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.985 -17.038 -19.700 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.419 -17.028 -18.042 1.00 25.00 H new ATOM 0 HG SER A 25 -2.039 -14.502 -19.092 1.00 25.00 H new ATOM 379 N PHE A 26 -0.043 -15.616 -21.818 1.00 25.00 N ATOM 380 CA PHE A 26 -0.198 -14.903 -23.084 1.00 25.00 C ATOM 381 C PHE A 26 -0.303 -15.923 -24.194 1.00 25.00 C ATOM 382 O PHE A 26 0.003 -17.084 -23.991 1.00 25.00 O ATOM 383 CB PHE A 26 0.997 -13.972 -23.339 1.00 25.00 C ATOM 384 CG PHE A 26 2.339 -14.655 -23.244 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.903 -15.315 -24.354 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.057 -14.622 -22.035 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.175 -15.938 -24.253 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.312 -15.251 -21.920 1.00 25.00 C ATOM 389 CZ PHE A 26 4.880 -15.905 -23.031 1.00 25.00 C ATOM 0 H PHE A 26 0.338 -16.558 -21.910 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.097 -14.288 -23.046 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.895 -13.530 -24.330 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.966 -13.153 -22.620 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.363 -15.347 -25.289 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.640 -14.107 -21.182 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.602 -16.437 -25.110 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.840 -15.232 -20.978 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.848 -16.378 -22.948 1.00 25.00 H new ATOM 399 N ARG A 27 -0.731 -15.517 -25.376 1.00 25.00 N ATOM 400 CA ARG A 27 -0.829 -16.459 -26.488 1.00 25.00 C ATOM 401 C ARG A 27 -0.051 -15.969 -27.677 1.00 25.00 C ATOM 402 O ARG A 27 0.135 -14.779 -27.853 1.00 25.00 O ATOM 403 CB ARG A 27 -2.282 -16.692 -26.880 1.00 25.00 C ATOM 404 CG ARG A 27 -3.104 -17.349 -25.776 1.00 25.00 C ATOM 405 CD ARG A 27 -4.465 -17.757 -26.291 1.00 25.00 C ATOM 406 NE ARG A 27 -5.271 -16.580 -26.676 1.00 25.00 N ATOM 407 CZ ARG A 27 -6.144 -15.956 -25.892 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.401 -16.353 -24.670 1.00 25.00 N ATOM 409 NH2 ARG A 27 -6.772 -14.911 -26.351 1.00 25.00 N ATOM 0 H ARG A 27 -1.013 -14.561 -25.594 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.402 -17.405 -26.156 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.738 -15.738 -27.145 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.315 -17.319 -27.771 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.577 -18.224 -25.396 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.218 -16.658 -24.941 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.348 -18.416 -27.151 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.991 -18.325 -25.523 1.00 25.00 H new ATOM 0 HE ARG A 27 -5.147 -16.217 -27.621 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -5.923 -17.169 -24.288 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -7.079 -15.846 -24.101 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.591 -14.583 -27.300 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.445 -14.421 -25.762 1.00 25.00 H new ATOM 423 N LYS A 28 0.365 -16.893 -28.522 1.00 25.00 N ATOM 424 CA LYS A 28 1.016 -16.520 -29.779 1.00 25.00 C ATOM 425 C LYS A 28 0.047 -15.660 -30.580 1.00 25.00 C ATOM 426 O LYS A 28 -1.114 -16.018 -30.754 1.00 25.00 O ATOM 427 CB LYS A 28 1.473 -17.750 -30.579 1.00 25.00 C ATOM 428 CG LYS A 28 0.469 -18.904 -30.692 1.00 25.00 C ATOM 429 CD LYS A 28 1.147 -20.118 -31.329 1.00 25.00 C ATOM 430 CE LYS A 28 0.305 -21.393 -31.189 1.00 25.00 C ATOM 431 NZ LYS A 28 -0.990 -21.335 -31.937 1.00 25.00 N ATOM 0 H LYS A 28 0.269 -17.897 -28.371 1.00 25.00 H new ATOM 0 HA LYS A 28 1.921 -15.953 -29.562 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.734 -17.425 -31.586 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.385 -18.135 -30.122 1.00 25.00 H new ATOM 0 HG2 LYS A 28 0.088 -19.165 -29.705 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.387 -18.597 -31.293 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.328 -19.918 -32.385 1.00 25.00 H new ATOM 0 HD3 LYS A 28 2.120 -20.274 -30.863 1.00 25.00 H new ATOM 0 HE2 LYS A 28 0.885 -22.244 -31.547 1.00 25.00 H new ATOM 0 HE3 LYS A 28 0.099 -21.569 -30.133 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -1.510 -22.226 -31.801 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 -1.562 -20.543 -31.580 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 -0.800 -21.196 -32.950 1.00 25.00 H new ATOM 445 N GLY A 29 0.527 -14.503 -31.011 1.00 25.00 N ATOM 446 CA GLY A 29 -0.291 -13.547 -31.736 1.00 25.00 C ATOM 447 C GLY A 29 -0.908 -12.472 -30.856 1.00 25.00 C ATOM 448 O GLY A 29 -1.417 -11.488 -31.372 1.00 25.00 O ATOM 0 H GLY A 29 1.491 -14.203 -30.868 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.319 -13.069 -32.503 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.088 -14.083 -32.251 1.00 25.00 H new ATOM 452 N ASP A 30 -0.855 -12.649 -29.544 1.00 25.00 N ATOM 453 CA ASP A 30 -1.400 -11.661 -28.607 1.00 25.00 C ATOM 454 C ASP A 30 -0.399 -10.511 -28.455 1.00 25.00 C ATOM 455 O ASP A 30 0.794 -10.681 -28.753 1.00 25.00 O ATOM 456 CB ASP A 30 -1.668 -12.317 -27.249 1.00 25.00 C ATOM 457 CG ASP A 30 -2.863 -11.721 -26.537 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.229 -10.564 -26.826 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.470 -12.444 -25.714 1.00 25.00 O ATOM 0 H ASP A 30 -0.441 -13.467 -29.098 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.343 -11.271 -28.992 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.831 -13.385 -27.392 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.785 -12.211 -26.619 1.00 25.00 H new ATOM 464 N ILE A 31 -0.879 -9.349 -28.028 1.00 25.00 N ATOM 465 CA ILE A 31 -0.059 -8.133 -27.958 1.00 25.00 C ATOM 466 C ILE A 31 -0.014 -7.618 -26.525 1.00 25.00 C ATOM 467 O ILE A 31 -1.053 -7.410 -25.917 1.00 25.00 O ATOM 468 CB ILE A 31 -0.652 -6.987 -28.852 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.096 -7.502 -30.247 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.367 -5.820 -28.986 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.004 -8.115 -31.123 1.00 25.00 C ATOM 0 H ILE A 31 -1.843 -9.217 -27.720 1.00 25.00 H new ATOM 0 HA ILE A 31 0.937 -8.397 -28.313 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.547 -6.614 -28.354 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.877 -8.249 -30.104 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.545 -6.672 -30.792 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.060 -5.034 -29.609 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.592 -5.418 -27.998 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.284 -6.189 -29.445 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.424 -8.439 -32.072 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.778 -7.370 -31.310 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.441 -8.972 -30.611 1.00 25.00 H new ATOM 483 N MET A 32 1.180 -7.386 -25.996 1.00 25.00 N ATOM 484 CA MET A 32 1.334 -6.903 -24.621 1.00 25.00 C ATOM 485 C MET A 32 2.340 -5.769 -24.529 1.00 25.00 C ATOM 486 O MET A 32 3.257 -5.663 -25.350 1.00 25.00 O ATOM 487 CB MET A 32 1.762 -8.050 -23.705 1.00 25.00 C ATOM 488 CG MET A 32 3.074 -8.713 -24.092 1.00 25.00 C ATOM 489 SD MET A 32 2.945 -10.497 -23.925 1.00 25.00 S ATOM 490 CE MET A 32 1.891 -10.896 -25.349 1.00 25.00 C ATOM 0 H MET A 32 2.059 -7.523 -26.495 1.00 25.00 H new ATOM 0 HA MET A 32 0.366 -6.518 -24.299 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.848 -7.671 -22.686 1.00 25.00 H new ATOM 0 HB3 MET A 32 0.976 -8.805 -23.699 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.330 -8.455 -25.119 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.879 -8.339 -23.459 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.704 -11.969 -25.373 1.00 25.00 H new ATOM 0 HE2 MET A 32 0.944 -10.364 -25.261 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.392 -10.594 -26.269 1.00 25.00 H new ATOM 500 N THR A 33 2.155 -4.912 -23.537 1.00 25.00 N ATOM 501 CA THR A 33 3.040 -3.766 -23.325 1.00 25.00 C ATOM 502 C THR A 33 4.209 -4.226 -22.466 1.00 25.00 C ATOM 503 O THR A 33 4.000 -4.894 -21.460 1.00 25.00 O ATOM 504 CB THR A 33 2.288 -2.619 -22.592 1.00 25.00 C ATOM 505 OG1 THR A 33 1.102 -2.300 -23.324 1.00 25.00 O ATOM 506 CG2 THR A 33 3.134 -1.352 -22.496 1.00 25.00 C ATOM 0 H THR A 33 1.396 -4.985 -22.859 1.00 25.00 H new ATOM 0 HA THR A 33 3.386 -3.390 -24.288 1.00 25.00 H new ATOM 0 HB THR A 33 2.060 -2.965 -21.584 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.620 -1.579 -22.868 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.570 -0.577 -21.977 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.049 -1.566 -21.944 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.387 -1.007 -23.498 1.00 25.00 H new ATOM 514 N VAL A 34 5.423 -3.861 -22.852 1.00 25.00 N ATOM 515 CA VAL A 34 6.621 -4.175 -22.066 1.00 25.00 C ATOM 516 C VAL A 34 6.961 -2.920 -21.261 1.00 25.00 C ATOM 517 O VAL A 34 7.151 -1.829 -21.819 1.00 25.00 O ATOM 518 CB VAL A 34 7.831 -4.576 -22.968 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.113 -4.741 -22.133 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.550 -5.892 -23.721 1.00 25.00 C ATOM 0 H VAL A 34 5.611 -3.343 -23.710 1.00 25.00 H new ATOM 0 HA VAL A 34 6.423 -5.031 -21.420 1.00 25.00 H new ATOM 0 HB VAL A 34 7.973 -3.772 -23.690 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.939 -5.020 -22.787 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.346 -3.800 -21.635 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.963 -5.520 -21.385 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.409 -6.147 -24.341 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.371 -6.692 -23.002 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.670 -5.769 -24.353 1.00 25.00 H new ATOM 530 N LEU A 35 6.990 -3.072 -19.947 1.00 25.00 N ATOM 531 CA LEU A 35 7.234 -1.959 -19.037 1.00 25.00 C ATOM 532 C LEU A 35 8.711 -1.855 -18.687 1.00 25.00 C ATOM 533 O LEU A 35 9.273 -0.760 -18.624 1.00 25.00 O ATOM 534 CB LEU A 35 6.447 -2.181 -17.737 1.00 25.00 C ATOM 535 CG LEU A 35 4.920 -2.273 -17.861 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.319 -2.655 -16.517 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.319 -0.950 -18.349 1.00 25.00 C ATOM 0 H LEU A 35 6.846 -3.967 -19.480 1.00 25.00 H new ATOM 0 HA LEU A 35 6.916 -1.041 -19.532 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.807 -3.100 -17.275 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.684 -1.366 -17.053 1.00 25.00 H new ATOM 0 HG LEU A 35 4.683 -3.040 -18.598 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.235 -2.719 -16.608 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.715 -3.621 -16.203 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.576 -1.899 -15.775 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.236 -1.049 -18.426 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.562 -0.157 -17.641 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.731 -0.702 -19.327 1.00 25.00 H new ATOM 549 N GLU A 36 9.321 -3.003 -18.440 1.00 25.00 N ATOM 550 CA GLU A 36 10.700 -3.077 -17.961 1.00 25.00 C ATOM 551 C GLU A 36 11.346 -4.313 -18.577 1.00 25.00 C ATOM 552 O GLU A 36 10.646 -5.183 -19.085 1.00 25.00 O ATOM 553 CB GLU A 36 10.689 -3.181 -16.431 1.00 25.00 C ATOM 554 CG GLU A 36 12.016 -2.861 -15.744 1.00 25.00 C ATOM 555 CD GLU A 36 11.912 -2.970 -14.230 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.068 -3.757 -13.745 1.00 25.00 O ATOM 557 OE2 GLU A 36 12.658 -2.260 -13.529 1.00 25.00 O ATOM 0 H GLU A 36 8.877 -3.913 -18.565 1.00 25.00 H new ATOM 0 HA GLU A 36 11.265 -2.189 -18.246 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.926 -2.506 -16.043 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.390 -4.192 -16.154 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.785 -3.543 -16.105 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.331 -1.853 -16.015 1.00 25.00 H new ATOM 564 N ARG A 37 12.668 -4.399 -18.528 1.00 25.00 N ATOM 565 CA ARG A 37 13.399 -5.554 -19.039 1.00 25.00 C ATOM 566 C ARG A 37 14.381 -5.946 -17.967 1.00 25.00 C ATOM 567 O ARG A 37 14.818 -5.078 -17.221 1.00 25.00 O ATOM 568 CB ARG A 37 14.166 -5.206 -20.316 1.00 25.00 C ATOM 569 CG ARG A 37 13.274 -4.823 -21.494 1.00 25.00 C ATOM 570 CD ARG A 37 14.093 -4.516 -22.732 1.00 25.00 C ATOM 571 NE ARG A 37 15.019 -3.401 -22.484 1.00 25.00 N ATOM 572 CZ ARG A 37 15.805 -2.833 -23.390 1.00 25.00 C ATOM 573 NH1 ARG A 37 15.827 -3.216 -24.643 1.00 25.00 N ATOM 574 NH2 ARG A 37 16.590 -1.859 -23.026 1.00 25.00 N ATOM 0 H ARG A 37 13.265 -3.672 -18.134 1.00 25.00 H new ATOM 0 HA ARG A 37 12.706 -6.360 -19.280 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.846 -4.380 -20.105 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.781 -6.060 -20.602 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.581 -5.637 -21.707 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.673 -3.953 -21.229 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.655 -5.401 -23.030 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.429 -4.266 -23.560 1.00 25.00 H new ATOM 0 HE ARG A 37 15.061 -3.032 -21.534 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.225 -3.978 -24.954 1.00 25.00 H new ATOM 0 HH12 ARG A 37 16.447 -2.752 -25.307 1.00 25.00 H new ATOM 0 HH21 ARG A 37 16.595 -1.543 -22.056 1.00 25.00 H new ATOM 0 HH22 ARG A 37 17.200 -1.412 -23.711 1.00 25.00 H new ATOM 588 N ASP A 38 14.700 -7.233 -17.901 1.00 25.00 N ATOM 589 CA ASP A 38 15.675 -7.782 -16.960 1.00 25.00 C ATOM 590 C ASP A 38 15.224 -7.449 -15.538 1.00 25.00 C ATOM 591 O ASP A 38 16.005 -7.095 -14.658 1.00 25.00 O ATOM 592 CB ASP A 38 17.070 -7.265 -17.316 1.00 25.00 C ATOM 593 CG ASP A 38 17.321 -7.297 -18.825 1.00 25.00 C ATOM 594 OD1 ASP A 38 16.982 -8.331 -19.464 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.702 -6.251 -19.396 1.00 25.00 O ATOM 0 H ASP A 38 14.283 -7.938 -18.509 1.00 25.00 H new ATOM 0 HA ASP A 38 15.733 -8.869 -17.023 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.183 -6.244 -16.950 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.822 -7.870 -16.810 1.00 25.00 H new ATOM 600 N THR A 39 13.914 -7.561 -15.351 1.00 25.00 N ATOM 601 CA THR A 39 13.211 -7.081 -14.153 1.00 25.00 C ATOM 602 C THR A 39 13.495 -7.891 -12.889 1.00 25.00 C ATOM 603 O THR A 39 13.238 -7.456 -11.775 1.00 25.00 O ATOM 604 CB THR A 39 11.672 -7.059 -14.455 1.00 25.00 C ATOM 605 OG1 THR A 39 10.948 -6.493 -13.359 1.00 25.00 O ATOM 606 CG2 THR A 39 11.124 -8.469 -14.711 1.00 25.00 C ATOM 0 H THR A 39 13.294 -7.994 -16.036 1.00 25.00 H new ATOM 0 HA THR A 39 13.587 -6.081 -13.939 1.00 25.00 H new ATOM 0 HB THR A 39 11.539 -6.452 -15.350 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.925 -5.518 -13.451 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.055 -8.412 -14.916 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.635 -8.908 -15.568 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.292 -9.090 -13.831 1.00 25.00 H new ATOM 614 N GLN A 40 14.080 -9.064 -13.071 1.00 25.00 N ATOM 615 CA GLN A 40 14.443 -9.936 -11.958 1.00 25.00 C ATOM 616 C GLN A 40 15.963 -10.107 -11.911 1.00 25.00 C ATOM 617 O GLN A 40 16.482 -10.992 -11.242 1.00 25.00 O ATOM 618 CB GLN A 40 13.761 -11.285 -12.161 1.00 25.00 C ATOM 619 CG GLN A 40 12.284 -11.282 -11.791 1.00 25.00 C ATOM 620 CD GLN A 40 11.668 -12.658 -11.890 1.00 25.00 C ATOM 621 OE1 GLN A 40 12.025 -13.450 -12.749 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.731 -12.944 -11.019 1.00 25.00 N ATOM 0 H GLN A 40 14.317 -9.440 -13.989 1.00 25.00 H new ATOM 0 HA GLN A 40 14.118 -9.500 -11.013 1.00 25.00 H new ATOM 0 HB2 GLN A 40 13.865 -11.582 -13.205 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.276 -12.037 -11.563 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.167 -10.905 -10.775 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.748 -10.598 -12.448 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.460 -12.256 -10.316 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.272 -13.855 -11.044 1.00 25.00 H new ATOM 631 N GLY A 41 16.667 -9.295 -12.688 1.00 25.00 N ATOM 632 CA GLY A 41 18.113 -9.435 -12.815 1.00 25.00 C ATOM 633 C GLY A 41 18.464 -10.529 -13.809 1.00 25.00 C ATOM 634 O GLY A 41 19.619 -10.728 -14.163 1.00 25.00 O ATOM 0 H GLY A 41 16.264 -8.536 -13.238 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.547 -8.489 -13.140 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.547 -9.668 -11.843 1.00 25.00 H new ATOM 638 N LEU A 42 17.442 -11.240 -14.264 1.00 25.00 N ATOM 639 CA LEU A 42 17.605 -12.303 -15.243 1.00 25.00 C ATOM 640 C LEU A 42 17.570 -11.687 -16.631 1.00 25.00 C ATOM 641 O LEU A 42 16.562 -11.095 -17.034 1.00 25.00 O ATOM 642 CB LEU A 42 16.478 -13.334 -15.113 1.00 25.00 C ATOM 643 CG LEU A 42 16.375 -14.102 -13.784 1.00 25.00 C ATOM 644 CD1 LEU A 42 15.119 -14.973 -13.814 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.616 -14.976 -13.546 1.00 25.00 C ATOM 0 H LEU A 42 16.478 -11.096 -13.965 1.00 25.00 H new ATOM 0 HA LEU A 42 18.555 -12.809 -15.073 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.531 -12.821 -15.281 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.593 -14.062 -15.916 1.00 25.00 H new ATOM 0 HG LEU A 42 16.315 -13.384 -12.966 1.00 25.00 H new ATOM 0 HD11 LEU A 42 15.035 -15.523 -12.877 1.00 25.00 H new ATOM 0 HD12 LEU A 42 14.241 -14.341 -13.944 1.00 25.00 H new ATOM 0 HD13 LEU A 42 15.185 -15.678 -14.643 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.512 -15.505 -12.599 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.713 -15.698 -14.357 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.504 -14.345 -13.513 1.00 25.00 H new ATOM 657 N ASP A 43 18.671 -11.833 -17.351 1.00 25.00 N ATOM 658 CA ASP A 43 18.781 -11.306 -18.707 1.00 25.00 C ATOM 659 C ASP A 43 17.697 -11.941 -19.570 1.00 25.00 C ATOM 660 O ASP A 43 17.510 -13.168 -19.570 1.00 25.00 O ATOM 661 CB ASP A 43 20.178 -11.616 -19.272 1.00 25.00 C ATOM 662 CG ASP A 43 20.493 -10.847 -20.563 1.00 25.00 C ATOM 663 OD1 ASP A 43 21.697 -10.722 -20.880 1.00 25.00 O ATOM 664 OD2 ASP A 43 19.565 -10.395 -21.266 1.00 25.00 O ATOM 0 H ASP A 43 19.507 -12.314 -17.019 1.00 25.00 H new ATOM 0 HA ASP A 43 18.647 -10.224 -18.703 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.929 -11.374 -18.520 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.255 -12.686 -19.466 1.00 25.00 H new ATOM 669 N GLY A 44 16.945 -11.103 -20.265 1.00 25.00 N ATOM 670 CA GLY A 44 15.916 -11.582 -21.166 1.00 25.00 C ATOM 671 C GLY A 44 14.547 -11.780 -20.555 1.00 25.00 C ATOM 672 O GLY A 44 13.637 -12.181 -21.269 1.00 25.00 O ATOM 0 H GLY A 44 17.030 -10.088 -20.221 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.826 -10.877 -21.992 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.244 -12.531 -21.591 1.00 25.00 H new ATOM 676 N TRP A 45 14.355 -11.494 -19.275 1.00 25.00 N ATOM 677 CA TRP A 45 13.023 -11.626 -18.662 1.00 25.00 C ATOM 678 C TRP A 45 12.398 -10.256 -18.476 1.00 25.00 C ATOM 679 O TRP A 45 12.918 -9.421 -17.743 1.00 25.00 O ATOM 680 CB TRP A 45 13.124 -12.371 -17.341 1.00 25.00 C ATOM 681 CG TRP A 45 13.307 -13.835 -17.571 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.474 -14.502 -17.777 1.00 25.00 C ATOM 683 CD2 TRP A 45 12.277 -14.839 -17.654 1.00 25.00 C ATOM 684 NE1 TRP A 45 14.266 -15.835 -17.966 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.921 -16.087 -17.902 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.870 -14.809 -17.546 1.00 25.00 C ATOM 687 CZ2 TRP A 45 12.203 -17.294 -18.039 1.00 25.00 C ATOM 688 CZ3 TRP A 45 10.144 -16.023 -17.672 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.825 -17.253 -17.917 1.00 25.00 C ATOM 0 H TRP A 45 15.087 -11.173 -18.641 1.00 25.00 H new ATOM 0 HA TRP A 45 12.379 -12.205 -19.324 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.961 -11.982 -16.762 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.223 -12.201 -16.752 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.447 -14.033 -17.789 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.993 -16.532 -18.129 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.353 -13.877 -17.370 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.715 -18.225 -18.234 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 9.068 -16.015 -17.582 1.00 25.00 H new ATOM 0 HH2 TRP A 45 10.256 -18.166 -18.009 1.00 25.00 H new ATOM 700 N TRP A 46 11.332 -9.984 -19.210 1.00 25.00 N ATOM 701 CA TRP A 46 10.768 -8.645 -19.269 1.00 25.00 C ATOM 702 C TRP A 46 9.450 -8.558 -18.516 1.00 25.00 C ATOM 703 O TRP A 46 8.644 -9.481 -18.562 1.00 25.00 O ATOM 704 CB TRP A 46 10.552 -8.265 -20.733 1.00 25.00 C ATOM 705 CG TRP A 46 11.815 -8.307 -21.585 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.107 -8.484 -21.177 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.892 -8.160 -23.013 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.977 -8.450 -22.223 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.270 -8.253 -23.376 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.936 -7.963 -24.028 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.705 -8.146 -24.713 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.366 -7.869 -25.371 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.751 -7.958 -25.700 1.00 25.00 C ATOM 0 H TRP A 46 10.838 -10.675 -19.775 1.00 25.00 H new ATOM 0 HA TRP A 46 11.465 -7.954 -18.794 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.813 -8.939 -21.166 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.131 -7.260 -20.777 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.402 -8.633 -20.149 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.990 -8.554 -22.157 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.887 -7.885 -23.783 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.754 -8.209 -24.961 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.638 -7.728 -26.156 1.00 25.00 H new ATOM 0 HH2 TRP A 46 13.060 -7.878 -26.732 1.00 25.00 H new ATOM 724 N LEU A 47 9.222 -7.437 -17.851 1.00 25.00 N ATOM 725 CA LEU A 47 7.969 -7.211 -17.143 1.00 25.00 C ATOM 726 C LEU A 47 6.965 -6.689 -18.152 1.00 25.00 C ATOM 727 O LEU A 47 7.155 -5.611 -18.724 1.00 25.00 O ATOM 728 CB LEU A 47 8.149 -6.175 -16.029 1.00 25.00 C ATOM 729 CG LEU A 47 6.898 -5.888 -15.185 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.469 -7.115 -14.373 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.176 -4.716 -14.249 1.00 25.00 C ATOM 0 H LEU A 47 9.888 -6.667 -17.786 1.00 25.00 H new ATOM 0 HA LEU A 47 7.630 -8.141 -16.687 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.944 -6.515 -15.365 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.486 -5.240 -16.477 1.00 25.00 H new ATOM 0 HG LEU A 47 6.081 -5.638 -15.862 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.581 -6.873 -13.789 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.244 -7.939 -15.050 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.276 -7.407 -13.701 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.289 -4.511 -13.649 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.009 -4.965 -13.592 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.429 -3.833 -14.836 1.00 25.00 H new ATOM 743 N CYS A 48 5.913 -7.448 -18.389 1.00 25.00 N ATOM 744 CA CYS A 48 4.898 -7.062 -19.351 1.00 25.00 C ATOM 745 C CYS A 48 3.554 -6.886 -18.663 1.00 25.00 C ATOM 746 O CYS A 48 3.389 -7.280 -17.514 1.00 25.00 O ATOM 747 CB CYS A 48 4.798 -8.128 -20.438 1.00 25.00 C ATOM 748 SG CYS A 48 6.384 -8.428 -21.233 1.00 25.00 S ATOM 0 H CYS A 48 5.738 -8.340 -17.926 1.00 25.00 H new ATOM 0 HA CYS A 48 5.178 -6.111 -19.803 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.429 -9.057 -20.003 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.070 -7.816 -21.187 1.00 25.00 H new ATOM 0 HG CYS A 48 7.251 -8.808 -20.342 1.00 25.00 H new ATOM 754 N SER A 49 2.591 -6.329 -19.383 1.00 25.00 N ATOM 755 CA SER A 49 1.227 -6.175 -18.882 1.00 25.00 C ATOM 756 C SER A 49 0.236 -6.637 -19.943 1.00 25.00 C ATOM 757 O SER A 49 0.329 -6.243 -21.115 1.00 25.00 O ATOM 758 CB SER A 49 0.950 -4.722 -18.502 1.00 25.00 C ATOM 759 OG SER A 49 -0.380 -4.577 -18.023 1.00 25.00 O ATOM 0 H SER A 49 2.729 -5.971 -20.328 1.00 25.00 H new ATOM 0 HA SER A 49 1.112 -6.789 -17.988 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.656 -4.399 -17.736 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.103 -4.078 -19.368 1.00 25.00 H new ATOM 0 HG SER A 49 -0.541 -3.641 -17.782 1.00 25.00 H new ATOM 765 N LEU A 50 -0.678 -7.506 -19.528 1.00 25.00 N ATOM 766 CA LEU A 50 -1.694 -8.094 -20.405 1.00 25.00 C ATOM 767 C LEU A 50 -2.798 -8.629 -19.501 1.00 25.00 C ATOM 768 O LEU A 50 -2.532 -8.937 -18.357 1.00 25.00 O ATOM 769 CB LEU A 50 -1.081 -9.255 -21.205 1.00 25.00 C ATOM 770 CG LEU A 50 -1.967 -9.961 -22.250 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.471 -8.982 -23.310 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.180 -11.076 -22.907 1.00 25.00 C ATOM 0 H LEU A 50 -0.739 -7.829 -18.562 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.079 -7.356 -21.108 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.197 -8.877 -21.718 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.740 -10.007 -20.494 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.837 -10.373 -21.739 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -3.092 -9.514 -24.030 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -3.059 -8.199 -22.832 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.621 -8.534 -23.825 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.806 -11.576 -23.646 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.300 -10.660 -23.398 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -0.867 -11.795 -22.150 1.00 25.00 H new ATOM 784 N HIS A 51 -4.020 -8.754 -20.010 1.00 25.00 N ATOM 785 CA HIS A 51 -5.135 -9.352 -19.247 1.00 25.00 C ATOM 786 C HIS A 51 -5.449 -8.584 -17.946 1.00 25.00 C ATOM 787 O HIS A 51 -6.012 -9.138 -17.014 1.00 25.00 O ATOM 788 CB HIS A 51 -4.802 -10.827 -18.938 1.00 25.00 C ATOM 789 CG HIS A 51 -6.000 -11.717 -18.841 1.00 25.00 C ATOM 790 ND1 HIS A 51 -6.509 -12.444 -19.886 1.00 25.00 N ATOM 791 CD2 HIS A 51 -6.801 -12.020 -17.777 1.00 25.00 C ATOM 792 CE1 HIS A 51 -7.558 -13.133 -19.443 1.00 25.00 C ATOM 793 NE2 HIS A 51 -7.774 -12.920 -18.159 1.00 25.00 N ATOM 0 H HIS A 51 -4.274 -8.451 -20.950 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.032 -9.290 -19.863 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.141 -11.209 -19.716 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.251 -10.875 -17.999 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.689 -11.614 -16.782 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -8.159 -13.786 -20.059 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -8.502 -13.332 -17.575 1.00 25.00 H new ATOM 801 N GLY A 52 -5.081 -7.308 -17.901 1.00 25.00 N ATOM 802 CA GLY A 52 -5.352 -6.483 -16.727 1.00 25.00 C ATOM 803 C GLY A 52 -4.398 -6.720 -15.571 1.00 25.00 C ATOM 804 O GLY A 52 -4.642 -6.263 -14.459 1.00 25.00 O ATOM 0 H GLY A 52 -4.598 -6.824 -18.658 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.303 -5.433 -17.015 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.370 -6.674 -16.389 1.00 25.00 H new ATOM 808 N ARG A 53 -3.314 -7.445 -15.826 1.00 25.00 N ATOM 809 CA ARG A 53 -2.327 -7.768 -14.791 1.00 25.00 C ATOM 810 C ARG A 53 -0.930 -7.726 -15.376 1.00 25.00 C ATOM 811 O ARG A 53 -0.757 -7.738 -16.597 1.00 25.00 O ATOM 812 CB ARG A 53 -2.633 -9.153 -14.202 1.00 25.00 C ATOM 813 CG ARG A 53 -2.533 -10.312 -15.199 1.00 25.00 C ATOM 814 CD ARG A 53 -3.267 -11.524 -14.655 1.00 25.00 C ATOM 815 NE ARG A 53 -3.360 -12.623 -15.633 1.00 25.00 N ATOM 816 CZ ARG A 53 -4.213 -13.640 -15.556 1.00 25.00 C ATOM 817 NH1 ARG A 53 -5.077 -13.751 -14.577 1.00 25.00 N ATOM 818 NH2 ARG A 53 -4.200 -14.564 -16.471 1.00 25.00 N ATOM 0 H ARG A 53 -3.092 -7.824 -16.746 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.383 -7.030 -13.991 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.946 -9.341 -13.377 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -3.639 -9.139 -13.782 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -2.960 -10.017 -16.157 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -1.487 -10.560 -15.379 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -2.756 -11.882 -13.761 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -4.271 -11.229 -14.351 1.00 25.00 H new ATOM 0 HE ARG A 53 -2.722 -12.602 -16.429 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -5.109 -13.044 -13.843 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -5.717 -14.545 -14.549 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -3.537 -14.507 -17.244 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -4.853 -15.346 -16.416 1.00 25.00 H new ATOM 832 N GLN A 54 0.068 -7.648 -14.519 1.00 25.00 N ATOM 833 CA GLN A 54 1.457 -7.599 -14.952 1.00 25.00 C ATOM 834 C GLN A 54 2.124 -8.905 -14.557 1.00 25.00 C ATOM 835 O GLN A 54 1.674 -9.568 -13.629 1.00 25.00 O ATOM 836 CB GLN A 54 2.182 -6.424 -14.289 1.00 25.00 C ATOM 837 CG GLN A 54 1.560 -5.063 -14.590 1.00 25.00 C ATOM 838 CD GLN A 54 0.689 -4.554 -13.457 1.00 25.00 C ATOM 839 OE1 GLN A 54 -0.375 -5.083 -13.181 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.135 -3.516 -12.806 1.00 25.00 N ATOM 0 H GLN A 54 -0.056 -7.617 -13.507 1.00 25.00 H new ATOM 0 HA GLN A 54 1.502 -7.461 -16.032 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.191 -6.578 -13.210 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.221 -6.418 -14.619 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.353 -4.341 -14.786 1.00 25.00 H new ATOM 0 HG3 GLN A 54 0.962 -5.134 -15.499 1.00 25.00 H new ATOM 0 HE21 GLN A 54 2.029 -3.098 -13.063 1.00 25.00 H new ATOM 0 HE22 GLN A 54 0.590 -3.122 -12.039 1.00 25.00 H new ATOM 849 N GLY A 55 3.184 -9.262 -15.258 1.00 25.00 N ATOM 850 CA GLY A 55 3.913 -10.480 -14.950 1.00 25.00 C ATOM 851 C GLY A 55 5.138 -10.590 -15.827 1.00 25.00 C ATOM 852 O GLY A 55 5.274 -9.838 -16.804 1.00 25.00 O ATOM 0 H GLY A 55 3.559 -8.728 -16.042 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.207 -10.481 -13.900 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.269 -11.346 -15.102 1.00 25.00 H new ATOM 856 N ILE A 56 6.048 -11.486 -15.474 1.00 25.00 N ATOM 857 CA ILE A 56 7.280 -11.663 -16.235 1.00 25.00 C ATOM 858 C ILE A 56 7.003 -12.500 -17.484 1.00 25.00 C ATOM 859 O ILE A 56 6.119 -13.364 -17.497 1.00 25.00 O ATOM 860 CB ILE A 56 8.420 -12.312 -15.379 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.091 -13.783 -15.022 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.647 -11.470 -14.094 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.210 -14.531 -14.280 1.00 25.00 C ATOM 0 H ILE A 56 5.958 -12.102 -14.666 1.00 25.00 H new ATOM 0 HA ILE A 56 7.630 -10.674 -16.531 1.00 25.00 H new ATOM 0 HB ILE A 56 9.336 -12.320 -15.969 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.191 -13.801 -14.407 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.860 -14.322 -15.941 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.440 -11.922 -13.498 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.933 -10.455 -14.370 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.727 -11.441 -13.511 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.890 -15.552 -14.072 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.107 -14.551 -14.899 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.428 -14.021 -13.342 1.00 25.00 H new ATOM 875 N VAL A 57 7.746 -12.205 -18.540 1.00 25.00 N ATOM 876 CA VAL A 57 7.615 -12.898 -19.817 1.00 25.00 C ATOM 877 C VAL A 57 9.019 -13.048 -20.398 1.00 25.00 C ATOM 878 O VAL A 57 9.771 -12.070 -20.449 1.00 25.00 O ATOM 879 CB VAL A 57 6.762 -12.064 -20.822 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.730 -12.736 -22.197 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.330 -11.881 -20.299 1.00 25.00 C ATOM 0 H VAL A 57 8.460 -11.476 -18.537 1.00 25.00 H new ATOM 0 HA VAL A 57 7.127 -13.860 -19.659 1.00 25.00 H new ATOM 0 HB VAL A 57 7.228 -11.084 -20.921 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.129 -12.136 -22.881 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.745 -12.821 -22.584 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.292 -13.730 -22.106 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.753 -11.297 -21.016 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.863 -12.857 -20.167 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.356 -11.359 -19.342 1.00 25.00 H new ATOM 891 N PRO A 58 9.396 -14.254 -20.860 1.00 25.00 N ATOM 892 CA PRO A 58 10.709 -14.282 -21.512 1.00 25.00 C ATOM 893 C PRO A 58 10.686 -13.521 -22.850 1.00 25.00 C ATOM 894 O PRO A 58 9.916 -13.834 -23.762 1.00 25.00 O ATOM 895 CB PRO A 58 10.965 -15.779 -21.701 1.00 25.00 C ATOM 896 CG PRO A 58 9.599 -16.363 -21.821 1.00 25.00 C ATOM 897 CD PRO A 58 8.732 -15.572 -20.892 1.00 25.00 C ATOM 0 HA PRO A 58 11.493 -13.792 -20.934 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.562 -15.973 -22.592 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.507 -16.202 -20.855 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.235 -16.297 -22.846 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.600 -17.419 -21.550 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.708 -15.499 -21.259 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.684 -16.024 -19.901 1.00 25.00 H new ATOM 905 N GLY A 59 11.541 -12.517 -22.960 1.00 25.00 N ATOM 906 CA GLY A 59 11.610 -11.670 -24.142 1.00 25.00 C ATOM 907 C GLY A 59 11.970 -12.417 -25.403 1.00 25.00 C ATOM 908 O GLY A 59 11.608 -12.009 -26.497 1.00 25.00 O ATOM 0 H GLY A 59 12.209 -12.265 -22.231 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.647 -11.179 -24.283 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.346 -10.884 -23.973 1.00 25.00 H new ATOM 912 N ASN A 60 12.615 -13.566 -25.258 1.00 25.00 N ATOM 913 CA ASN A 60 12.940 -14.421 -26.406 1.00 25.00 C ATOM 914 C ASN A 60 11.684 -14.994 -27.085 1.00 25.00 C ATOM 915 O ASN A 60 11.753 -15.510 -28.199 1.00 25.00 O ATOM 916 CB ASN A 60 13.856 -15.569 -25.967 1.00 25.00 C ATOM 917 CG ASN A 60 15.310 -15.163 -25.924 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.844 -14.675 -26.899 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.942 -15.350 -24.796 1.00 25.00 N ATOM 0 H ASN A 60 12.926 -13.933 -24.359 1.00 25.00 H new ATOM 0 HA ASN A 60 13.452 -13.794 -27.136 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.550 -15.917 -24.981 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.736 -16.408 -26.653 1.00 25.00 H new ATOM 0 HD21 ASN A 60 16.923 -15.082 -24.710 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.455 -15.764 -24.001 1.00 25.00 H new ATOM 926 N ARG A 61 10.532 -14.885 -26.430 1.00 25.00 N ATOM 927 CA ARG A 61 9.266 -15.341 -27.018 1.00 25.00 C ATOM 928 C ARG A 61 8.446 -14.157 -27.520 1.00 25.00 C ATOM 929 O ARG A 61 7.287 -14.327 -27.912 1.00 25.00 O ATOM 930 CB ARG A 61 8.437 -16.127 -25.989 1.00 25.00 C ATOM 931 CG ARG A 61 9.097 -17.419 -25.513 1.00 25.00 C ATOM 932 CD ARG A 61 8.078 -18.254 -24.730 1.00 25.00 C ATOM 933 NE ARG A 61 8.671 -19.452 -24.110 1.00 25.00 N ATOM 934 CZ ARG A 61 8.903 -20.607 -24.728 1.00 25.00 C ATOM 935 NH1 ARG A 61 8.655 -20.792 -26.003 1.00 25.00 N ATOM 936 NH2 ARG A 61 9.395 -21.602 -24.038 1.00 25.00 N ATOM 0 H ARG A 61 10.444 -14.487 -25.495 1.00 25.00 H new ATOM 0 HA ARG A 61 9.509 -15.993 -27.857 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.249 -15.488 -25.126 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.468 -16.366 -26.426 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.469 -17.986 -26.366 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.957 -17.190 -24.883 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.628 -17.635 -23.954 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.274 -18.558 -25.400 1.00 25.00 H new ATOM 0 HE ARG A 61 8.925 -19.391 -23.124 1.00 25.00 H new ATOM 0 HH11 ARG A 61 8.268 -20.032 -26.563 1.00 25.00 H new ATOM 0 HH12 ARG A 61 8.849 -21.696 -26.434 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.594 -21.485 -23.044 1.00 25.00 H new ATOM 0 HH22 ARG A 61 9.580 -22.496 -24.493 1.00 25.00 H new ATOM 950 N LEU A 62 9.035 -12.973 -27.509 1.00 25.00 N ATOM 951 CA LEU A 62 8.348 -11.750 -27.927 1.00 25.00 C ATOM 952 C LEU A 62 9.042 -11.115 -29.123 1.00 25.00 C ATOM 953 O LEU A 62 10.247 -11.235 -29.304 1.00 25.00 O ATOM 954 CB LEU A 62 8.345 -10.728 -26.778 1.00 25.00 C ATOM 955 CG LEU A 62 7.586 -11.083 -25.491 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.751 -9.948 -24.467 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.105 -11.308 -25.771 1.00 25.00 C ATOM 0 H LEU A 62 10.000 -12.826 -27.212 1.00 25.00 H new ATOM 0 HA LEU A 62 7.328 -12.022 -28.199 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.382 -10.528 -26.508 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.930 -9.796 -27.163 1.00 25.00 H new ATOM 0 HG LEU A 62 8.003 -12.007 -25.091 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.212 -10.201 -23.554 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.809 -9.814 -24.239 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.350 -9.023 -24.881 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.593 -11.558 -24.842 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.672 -10.400 -26.191 1.00 25.00 H new ATOM 0 HD23 LEU A 62 5.989 -12.127 -26.481 1.00 25.00 H new ATOM 969 N LYS A 63 8.275 -10.387 -29.917 1.00 25.00 N ATOM 970 CA LYS A 63 8.824 -9.604 -31.019 1.00 25.00 C ATOM 971 C LYS A 63 8.326 -8.177 -30.863 1.00 25.00 C ATOM 972 O LYS A 63 7.122 -7.935 -30.890 1.00 25.00 O ATOM 973 CB LYS A 63 8.380 -10.187 -32.368 1.00 25.00 C ATOM 974 CG LYS A 63 9.082 -9.572 -33.580 1.00 25.00 C ATOM 975 CD LYS A 63 10.553 -10.000 -33.650 1.00 25.00 C ATOM 976 CE LYS A 63 11.251 -9.372 -34.853 1.00 25.00 C ATOM 977 NZ LYS A 63 12.692 -9.805 -34.937 1.00 25.00 N ATOM 0 H LYS A 63 7.262 -10.320 -29.820 1.00 25.00 H new ATOM 0 HA LYS A 63 9.913 -9.629 -30.996 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.562 -11.262 -32.364 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.304 -10.046 -32.475 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.569 -9.876 -34.493 1.00 25.00 H new ATOM 0 HG3 LYS A 63 9.020 -8.485 -33.526 1.00 25.00 H new ATOM 0 HD2 LYS A 63 11.065 -9.705 -32.734 1.00 25.00 H new ATOM 0 HD3 LYS A 63 10.616 -11.086 -33.715 1.00 25.00 H new ATOM 0 HE2 LYS A 63 10.730 -9.655 -35.767 1.00 25.00 H new ATOM 0 HE3 LYS A 63 11.199 -8.286 -34.780 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 13.140 -9.362 -35.764 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 13.193 -9.513 -34.074 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 12.739 -10.840 -35.031 1.00 25.00 H new ATOM 991 N ILE A 64 9.255 -7.252 -30.675 1.00 25.00 N ATOM 992 CA ILE A 64 8.930 -5.831 -30.505 1.00 25.00 C ATOM 993 C ILE A 64 8.152 -5.355 -31.734 1.00 25.00 C ATOM 994 O ILE A 64 8.492 -5.708 -32.868 1.00 25.00 O ATOM 995 CB ILE A 64 10.236 -4.983 -30.324 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.037 -5.448 -29.082 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.922 -3.473 -30.205 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.330 -5.268 -27.709 1.00 25.00 C ATOM 0 H ILE A 64 10.253 -7.457 -30.635 1.00 25.00 H new ATOM 0 HA ILE A 64 8.322 -5.701 -29.610 1.00 25.00 H new ATOM 0 HB ILE A 64 10.843 -5.141 -31.216 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.282 -6.503 -29.206 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.980 -4.902 -29.057 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.851 -2.917 -30.081 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.415 -3.135 -31.108 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.279 -3.302 -29.342 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.983 -5.627 -26.914 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.109 -4.213 -27.549 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.401 -5.838 -27.701 1.00 25.00 H new