USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 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 Set 1.1: A 35 ASN : amide:sc= -3.07 K(o=-3.4,f=-2.7!) USER MOD Set 1.2: A 37 THR OG1 : rot -170:sc= -0.353 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.589 K(o=-0.59,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.116 USER MOD Single : A 24 THR OG1 : rot -90:sc= 0.918 USER MOD Single : A 25 MET CE :methyl 156:sc= -4.58! (180deg=-6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -2.71! USER MOD Single : A 38 ASN : amide:sc= -0.802 K(o=-0.8,f=-5.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -3.5! C(o=-3.5!,f=-3!) USER MOD Single : A 50 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.3) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= -0.567 (180deg=-0.843) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LEU A 8 1.964 15.308 0.962 1.00 43.33 N ATOM 104 CA LEU A 8 0.659 15.766 1.426 1.00 22.21 C ATOM 105 C LEU A 8 0.023 16.713 0.414 1.00 35.01 C ATOM 106 O LEU A 8 0.717 17.350 -0.378 1.00 11.42 O ATOM 107 CB LEU A 8 0.794 16.464 2.781 1.00 72.25 C ATOM 108 CG LEU A 8 1.964 17.438 2.920 1.00 10.12 C ATOM 109 CD1 LEU A 8 1.742 18.667 2.053 1.00 54.24 C ATOM 110 CD2 LEU A 8 2.154 17.838 4.376 1.00 2.01 C ATOM 0 HA LEU A 8 0.013 14.895 1.536 1.00 22.21 H new ATOM 0 HB2 LEU A 8 -0.130 17.006 2.982 1.00 72.25 H new ATOM 0 HB3 LEU A 8 0.889 15.700 3.553 1.00 72.25 H new ATOM 0 HG LEU A 8 2.871 16.938 2.579 1.00 10.12 H new ATOM 0 HD11 LEU A 8 2.585 19.349 2.165 1.00 54.24 H new ATOM 0 HD12 LEU A 8 1.656 18.365 1.009 1.00 54.24 H new ATOM 0 HD13 LEU A 8 0.826 19.170 2.362 1.00 54.24 H new ATOM 0 HD21 LEU A 8 2.991 18.532 4.457 1.00 2.01 H new ATOM 0 HD22 LEU A 8 1.247 18.319 4.742 1.00 2.01 H new ATOM 0 HD23 LEU A 8 2.360 16.950 4.973 1.00 2.01 H new ATOM 122 N VAL A 9 -1.303 16.802 0.447 1.00 34.03 N ATOM 123 CA VAL A 9 -2.034 17.674 -0.465 1.00 31.15 C ATOM 124 C VAL A 9 -3.329 18.171 0.169 1.00 23.42 C ATOM 125 O VAL A 9 -3.797 17.618 1.165 1.00 32.14 O ATOM 126 CB VAL A 9 -2.365 16.954 -1.785 1.00 72.12 C ATOM 127 CG1 VAL A 9 -1.091 16.494 -2.477 1.00 21.23 C ATOM 128 CG2 VAL A 9 -3.298 15.779 -1.532 1.00 11.31 C ATOM 0 H VAL A 9 -1.893 16.281 1.096 1.00 34.03 H new ATOM 0 HA VAL A 9 -1.387 18.525 -0.676 1.00 31.15 H new ATOM 0 HB VAL A 9 -2.874 17.657 -2.444 1.00 72.12 H new ATOM 0 HG11 VAL A 9 -1.345 15.987 -3.408 1.00 21.23 H new ATOM 0 HG12 VAL A 9 -0.463 17.358 -2.694 1.00 21.23 H new ATOM 0 HG13 VAL A 9 -0.551 15.807 -1.826 1.00 21.23 H new ATOM 0 HG21 VAL A 9 -3.521 15.282 -2.476 1.00 11.31 H new ATOM 0 HG22 VAL A 9 -2.818 15.073 -0.855 1.00 11.31 H new ATOM 0 HG23 VAL A 9 -4.224 16.140 -1.084 1.00 11.31 H new ATOM 138 N LEU A 10 -3.903 19.216 -0.415 1.00 14.34 N ATOM 139 CA LEU A 10 -5.146 19.788 0.092 1.00 1.54 C ATOM 140 C LEU A 10 -6.272 19.634 -0.925 1.00 64.12 C ATOM 141 O LEU A 10 -6.061 19.793 -2.127 1.00 53.41 O ATOM 142 CB LEU A 10 -4.949 21.267 0.431 1.00 4.11 C ATOM 143 CG LEU A 10 -4.438 21.571 1.840 1.00 20.41 C ATOM 144 CD1 LEU A 10 -5.586 21.562 2.837 1.00 30.44 C ATOM 145 CD2 LEU A 10 -3.368 20.568 2.247 1.00 42.11 C ATOM 0 H LEU A 10 -3.528 19.685 -1.240 1.00 14.34 H new ATOM 0 HA LEU A 10 -5.423 19.247 0.997 1.00 1.54 H new ATOM 0 HB2 LEU A 10 -4.249 21.694 -0.287 1.00 4.11 H new ATOM 0 HB3 LEU A 10 -5.900 21.781 0.293 1.00 4.11 H new ATOM 0 HG LEU A 10 -3.993 22.566 1.838 1.00 20.41 H new ATOM 0 HD11 LEU A 10 -5.204 21.780 3.834 1.00 30.44 H new ATOM 0 HD12 LEU A 10 -6.318 22.319 2.556 1.00 30.44 H new ATOM 0 HD13 LEU A 10 -6.060 20.581 2.837 1.00 30.44 H new ATOM 0 HD21 LEU A 10 -3.016 20.800 3.252 1.00 42.11 H new ATOM 0 HD22 LEU A 10 -3.788 19.562 2.232 1.00 42.11 H new ATOM 0 HD23 LEU A 10 -2.533 20.623 1.548 1.00 42.11 H new ATOM 157 N ALA A 11 -7.467 19.324 -0.435 1.00 13.44 N ATOM 158 CA ALA A 11 -8.627 19.153 -1.301 1.00 32.24 C ATOM 159 C ALA A 11 -9.019 20.470 -1.961 1.00 41.21 C ATOM 160 O ALA A 11 -9.513 21.385 -1.301 1.00 31.15 O ATOM 161 CB ALA A 11 -9.798 18.588 -0.509 1.00 43.32 C ATOM 0 H ALA A 11 -7.658 19.186 0.557 1.00 13.44 H new ATOM 0 HA ALA A 11 -8.361 18.448 -2.088 1.00 32.24 H new ATOM 0 HB1 ALA A 11 -10.658 18.465 -1.168 1.00 43.32 H new ATOM 0 HB2 ALA A 11 -9.521 17.621 -0.090 1.00 43.32 H new ATOM 0 HB3 ALA A 11 -10.055 19.273 0.299 1.00 43.32 H new ATOM 167 N LEU A 12 -8.795 20.561 -3.267 1.00 41.23 N ATOM 168 CA LEU A 12 -9.124 21.768 -4.018 1.00 12.12 C ATOM 169 C LEU A 12 -10.607 21.800 -4.375 1.00 23.20 C ATOM 170 O LEU A 12 -11.185 22.868 -4.575 1.00 1.35 O ATOM 171 CB LEU A 12 -8.279 21.847 -5.291 1.00 14.24 C ATOM 172 CG LEU A 12 -8.223 23.214 -5.975 1.00 24.44 C ATOM 173 CD1 LEU A 12 -6.805 23.765 -5.949 1.00 74.31 C ATOM 174 CD2 LEU A 12 -8.733 23.116 -7.405 1.00 31.22 C ATOM 0 H LEU A 12 -8.387 19.814 -3.828 1.00 41.23 H new ATOM 0 HA LEU A 12 -8.902 22.630 -3.388 1.00 12.12 H new ATOM 0 HB2 LEU A 12 -7.261 21.543 -5.047 1.00 14.24 H new ATOM 0 HB3 LEU A 12 -8.666 21.121 -6.006 1.00 14.24 H new ATOM 0 HG LEU A 12 -8.868 23.901 -5.427 1.00 24.44 H new ATOM 0 HD11 LEU A 12 -6.784 24.738 -6.440 1.00 74.31 H new ATOM 0 HD12 LEU A 12 -6.475 23.873 -4.916 1.00 74.31 H new ATOM 0 HD13 LEU A 12 -6.139 23.080 -6.473 1.00 74.31 H new ATOM 0 HD21 LEU A 12 -8.686 24.098 -7.876 1.00 31.22 H new ATOM 0 HD22 LEU A 12 -8.114 22.415 -7.965 1.00 31.22 H new ATOM 0 HD23 LEU A 12 -9.765 22.765 -7.400 1.00 31.22 H new ATOM 186 N TYR A 13 -11.217 20.622 -4.452 1.00 4.22 N ATOM 187 CA TYR A 13 -12.632 20.515 -4.785 1.00 20.21 C ATOM 188 C TYR A 13 -13.299 19.405 -3.978 1.00 62.12 C ATOM 189 O TYR A 13 -12.766 18.301 -3.861 1.00 3.44 O ATOM 190 CB TYR A 13 -12.807 20.249 -6.281 1.00 64.50 C ATOM 191 CG TYR A 13 -14.215 19.856 -6.666 1.00 30.42 C ATOM 192 CD1 TYR A 13 -14.460 18.695 -7.390 1.00 40.54 C ATOM 193 CD2 TYR A 13 -15.301 20.644 -6.306 1.00 5.41 C ATOM 194 CE1 TYR A 13 -15.745 18.333 -7.745 1.00 20.31 C ATOM 195 CE2 TYR A 13 -16.589 20.289 -6.655 1.00 21.33 C ATOM 196 CZ TYR A 13 -16.806 19.132 -7.374 1.00 50.23 C ATOM 197 OH TYR A 13 -18.088 18.775 -7.725 1.00 1.11 O ATOM 0 H TYR A 13 -10.753 19.728 -4.288 1.00 4.22 H new ATOM 0 HA TYR A 13 -13.111 21.461 -4.533 1.00 20.21 H new ATOM 0 HB2 TYR A 13 -12.524 21.143 -6.836 1.00 64.50 H new ATOM 0 HB3 TYR A 13 -12.122 19.457 -6.583 1.00 64.50 H new ATOM 0 HD1 TYR A 13 -13.632 18.065 -7.680 1.00 40.54 H new ATOM 0 HD2 TYR A 13 -15.135 21.551 -5.743 1.00 5.41 H new ATOM 0 HE1 TYR A 13 -15.918 17.429 -8.310 1.00 20.31 H new ATOM 0 HE2 TYR A 13 -17.422 20.914 -6.367 1.00 21.33 H new ATOM 0 HH TYR A 13 -18.718 19.444 -7.386 1.00 1.11 H new ATOM 207 N ASP A 14 -14.468 19.706 -3.425 1.00 34.22 N ATOM 208 CA ASP A 14 -15.211 18.734 -2.630 1.00 41.31 C ATOM 209 C ASP A 14 -15.596 17.523 -3.474 1.00 21.14 C ATOM 210 O ASP A 14 -16.549 17.573 -4.252 1.00 1.14 O ATOM 211 CB ASP A 14 -16.465 19.379 -2.039 1.00 14.22 C ATOM 212 CG ASP A 14 -16.148 20.604 -1.203 1.00 21.50 C ATOM 213 OD1 ASP A 14 -15.849 20.441 -0.001 1.00 61.32 O ATOM 214 OD2 ASP A 14 -16.198 21.724 -1.751 1.00 4.43 O ATOM 0 H ASP A 14 -14.922 20.615 -3.512 1.00 34.22 H new ATOM 0 HA ASP A 14 -14.567 18.398 -1.817 1.00 41.31 H new ATOM 0 HB2 ASP A 14 -17.141 19.659 -2.847 1.00 14.22 H new ATOM 0 HB3 ASP A 14 -16.990 18.649 -1.423 1.00 14.22 H new ATOM 219 N TYR A 15 -14.849 16.436 -3.315 1.00 4.43 N ATOM 220 CA TYR A 15 -15.109 15.213 -4.064 1.00 53.11 C ATOM 221 C TYR A 15 -15.749 14.154 -3.172 1.00 75.32 C ATOM 222 O TYR A 15 -15.240 13.843 -2.096 1.00 3.30 O ATOM 223 CB TYR A 15 -13.811 14.672 -4.666 1.00 52.30 C ATOM 224 CG TYR A 15 -13.943 14.252 -6.112 1.00 75.14 C ATOM 225 CD1 TYR A 15 -13.528 15.090 -7.140 1.00 72.53 C ATOM 226 CD2 TYR A 15 -14.484 13.018 -6.451 1.00 75.11 C ATOM 227 CE1 TYR A 15 -13.648 14.710 -8.463 1.00 43.13 C ATOM 228 CE2 TYR A 15 -14.606 12.630 -7.771 1.00 74.52 C ATOM 229 CZ TYR A 15 -14.187 13.479 -8.774 1.00 1.04 C ATOM 230 OH TYR A 15 -14.308 13.096 -10.090 1.00 1.41 O ATOM 0 H TYR A 15 -14.058 16.377 -2.674 1.00 4.43 H new ATOM 0 HA TYR A 15 -15.803 15.452 -4.870 1.00 53.11 H new ATOM 0 HB2 TYR A 15 -13.038 15.436 -4.588 1.00 52.30 H new ATOM 0 HB3 TYR A 15 -13.476 13.818 -4.078 1.00 52.30 H new ATOM 0 HD1 TYR A 15 -13.105 16.054 -6.901 1.00 72.53 H new ATOM 0 HD2 TYR A 15 -14.815 12.351 -5.669 1.00 75.11 H new ATOM 0 HE1 TYR A 15 -13.321 15.374 -9.250 1.00 43.13 H new ATOM 0 HE2 TYR A 15 -15.027 11.666 -8.017 1.00 74.52 H new ATOM 0 HH TYR A 15 -14.705 12.201 -10.135 1.00 1.41 H new ATOM 240 N GLN A 16 -16.869 13.603 -3.629 1.00 74.12 N ATOM 241 CA GLN A 16 -17.580 12.578 -2.873 1.00 41.33 C ATOM 242 C GLN A 16 -17.211 11.183 -3.367 1.00 4.40 C ATOM 243 O GLN A 16 -17.367 10.199 -2.646 1.00 24.32 O ATOM 244 CB GLN A 16 -19.091 12.788 -2.985 1.00 10.21 C ATOM 245 CG GLN A 16 -19.632 13.836 -2.025 1.00 72.24 C ATOM 246 CD GLN A 16 -18.963 15.185 -2.197 1.00 12.31 C ATOM 247 OE1 GLN A 16 -18.746 15.646 -3.318 1.00 71.52 O ATOM 248 NE2 GLN A 16 -18.632 15.828 -1.083 1.00 54.20 N ATOM 0 H GLN A 16 -17.304 13.849 -4.518 1.00 74.12 H new ATOM 0 HA GLN A 16 -17.285 12.663 -1.827 1.00 41.33 H new ATOM 0 HB2 GLN A 16 -19.334 13.082 -4.006 1.00 10.21 H new ATOM 0 HB3 GLN A 16 -19.596 11.840 -2.798 1.00 10.21 H new ATOM 0 HG2 GLN A 16 -20.706 13.945 -2.179 1.00 72.24 H new ATOM 0 HG3 GLN A 16 -19.490 13.492 -1.000 1.00 72.24 H new ATOM 0 HE21 GLN A 16 -18.830 15.409 -0.174 1.00 54.20 H new ATOM 0 HE22 GLN A 16 -18.180 16.741 -1.136 1.00 54.20 H new ATOM 257 N GLU A 17 -16.721 11.108 -4.601 1.00 21.24 N ATOM 258 CA GLU A 17 -16.331 9.832 -5.190 1.00 42.41 C ATOM 259 C GLU A 17 -17.540 8.917 -5.356 1.00 15.11 C ATOM 260 O GLU A 17 -18.685 9.368 -5.312 1.00 35.43 O ATOM 261 CB GLU A 17 -15.274 9.146 -4.322 1.00 45.45 C ATOM 262 CG GLU A 17 -14.101 10.045 -3.967 1.00 51.21 C ATOM 263 CD GLU A 17 -13.312 10.483 -5.185 1.00 42.44 C ATOM 264 OE1 GLU A 17 -12.375 11.294 -5.025 1.00 21.44 O ATOM 265 OE2 GLU A 17 -13.631 10.017 -6.299 1.00 4.10 O ATOM 0 H GLU A 17 -16.585 11.914 -5.211 1.00 21.24 H new ATOM 0 HA GLU A 17 -15.909 10.030 -6.175 1.00 42.41 H new ATOM 0 HB2 GLU A 17 -15.743 8.795 -3.403 1.00 45.45 H new ATOM 0 HB3 GLU A 17 -14.901 8.266 -4.846 1.00 45.45 H new ATOM 0 HG2 GLU A 17 -14.469 10.926 -3.441 1.00 51.21 H new ATOM 0 HG3 GLU A 17 -13.439 9.518 -3.280 1.00 51.21 H new ATOM 272 N LYS A 18 -17.278 7.629 -5.548 1.00 31.33 N ATOM 273 CA LYS A 18 -18.343 6.648 -5.720 1.00 32.12 C ATOM 274 C LYS A 18 -17.774 5.235 -5.798 1.00 71.12 C ATOM 275 O LYS A 18 -18.383 4.282 -5.311 1.00 40.41 O ATOM 276 CB LYS A 18 -19.149 6.956 -6.984 1.00 65.42 C ATOM 277 CG LYS A 18 -20.541 7.493 -6.703 1.00 30.13 C ATOM 278 CD LYS A 18 -20.796 8.796 -7.442 1.00 72.52 C ATOM 279 CE LYS A 18 -22.208 8.849 -8.007 1.00 24.23 C ATOM 280 NZ LYS A 18 -22.505 10.166 -8.634 1.00 43.31 N ATOM 0 H LYS A 18 -16.336 7.240 -5.588 1.00 31.33 H new ATOM 0 HA LYS A 18 -19.001 6.708 -4.853 1.00 32.12 H new ATOM 0 HB2 LYS A 18 -18.603 7.683 -7.585 1.00 65.42 H new ATOM 0 HB3 LYS A 18 -19.233 6.048 -7.581 1.00 65.42 H new ATOM 0 HG2 LYS A 18 -21.284 6.753 -7.001 1.00 30.13 H new ATOM 0 HG3 LYS A 18 -20.661 7.652 -5.631 1.00 30.13 H new ATOM 0 HD2 LYS A 18 -20.642 9.636 -6.765 1.00 72.52 H new ATOM 0 HD3 LYS A 18 -20.075 8.903 -8.252 1.00 72.52 H new ATOM 0 HE2 LYS A 18 -22.333 8.058 -8.747 1.00 24.23 H new ATOM 0 HE3 LYS A 18 -22.926 8.656 -7.210 1.00 24.23 H new ATOM 0 HZ1 LYS A 18 -23.476 10.162 -9.007 1.00 43.31 H new ATOM 0 HZ2 LYS A 18 -22.410 10.918 -7.922 1.00 43.31 H new ATOM 0 HZ3 LYS A 18 -21.836 10.339 -9.412 1.00 43.31 H new ATOM 294 N SER A 19 -16.603 5.107 -6.413 1.00 24.20 N ATOM 295 CA SER A 19 -15.953 3.809 -6.557 1.00 5.42 C ATOM 296 C SER A 19 -15.052 3.517 -5.360 1.00 51.43 C ATOM 297 O SER A 19 -14.631 4.417 -4.634 1.00 5.53 O ATOM 298 CB SER A 19 -15.134 3.766 -7.848 1.00 63.13 C ATOM 299 OG SER A 19 -15.708 2.873 -8.787 1.00 15.12 O ATOM 0 H SER A 19 -16.085 5.886 -6.820 1.00 24.20 H new ATOM 0 HA SER A 19 -16.729 3.045 -6.601 1.00 5.42 H new ATOM 0 HB2 SER A 19 -15.077 4.765 -8.280 1.00 63.13 H new ATOM 0 HB3 SER A 19 -14.113 3.457 -7.624 1.00 63.13 H new ATOM 0 HG SER A 19 -15.167 2.865 -9.604 1.00 15.12 H new ATOM 305 N PRO A 20 -14.750 2.228 -5.149 1.00 64.24 N ATOM 306 CA PRO A 20 -13.896 1.786 -4.043 1.00 31.44 C ATOM 307 C PRO A 20 -12.440 2.197 -4.233 1.00 13.51 C ATOM 308 O PRO A 20 -11.683 2.299 -3.268 1.00 0.33 O ATOM 309 CB PRO A 20 -14.030 0.261 -4.079 1.00 4.22 C ATOM 310 CG PRO A 20 -14.387 -0.054 -5.490 1.00 73.41 C ATOM 311 CD PRO A 20 -15.217 1.102 -5.975 1.00 70.15 C ATOM 0 HA PRO A 20 -14.195 2.232 -3.095 1.00 31.44 H new ATOM 0 HB2 PRO A 20 -13.099 -0.225 -3.788 1.00 4.22 H new ATOM 0 HB3 PRO A 20 -14.800 -0.085 -3.389 1.00 4.22 H new ATOM 0 HG2 PRO A 20 -13.493 -0.176 -6.101 1.00 73.41 H new ATOM 0 HG3 PRO A 20 -14.945 -0.988 -5.552 1.00 73.41 H new ATOM 0 HD2 PRO A 20 -15.061 1.291 -7.037 1.00 70.15 H new ATOM 0 HD3 PRO A 20 -16.282 0.917 -5.837 1.00 70.15 H new ATOM 319 N ARG A 21 -12.056 2.434 -5.483 1.00 25.41 N ATOM 320 CA ARG A 21 -10.690 2.834 -5.799 1.00 62.22 C ATOM 321 C ARG A 21 -10.558 4.354 -5.811 1.00 24.11 C ATOM 322 O ARG A 21 -9.604 4.899 -6.366 1.00 73.22 O ATOM 323 CB ARG A 21 -10.270 2.264 -7.156 1.00 1.25 C ATOM 324 CG ARG A 21 -11.022 2.869 -8.329 1.00 53.34 C ATOM 325 CD ARG A 21 -12.133 1.950 -8.813 1.00 65.42 C ATOM 326 NE ARG A 21 -11.652 0.592 -9.057 1.00 45.44 N ATOM 327 CZ ARG A 21 -12.451 -0.463 -9.163 1.00 54.23 C ATOM 328 NH1 ARG A 21 -13.764 -0.318 -9.048 1.00 32.05 N ATOM 329 NH2 ARG A 21 -11.938 -1.666 -9.386 1.00 73.11 N ATOM 0 H ARG A 21 -12.671 2.356 -6.293 1.00 25.41 H new ATOM 0 HA ARG A 21 -10.033 2.435 -5.026 1.00 62.22 H new ATOM 0 HB2 ARG A 21 -9.202 2.430 -7.296 1.00 1.25 H new ATOM 0 HB3 ARG A 21 -10.427 1.185 -7.152 1.00 1.25 H new ATOM 0 HG2 ARG A 21 -11.445 3.829 -8.035 1.00 53.34 H new ATOM 0 HG3 ARG A 21 -10.328 3.064 -9.146 1.00 53.34 H new ATOM 0 HD2 ARG A 21 -12.931 1.924 -8.071 1.00 65.42 H new ATOM 0 HD3 ARG A 21 -12.563 2.353 -9.730 1.00 65.42 H new ATOM 0 HE ARG A 21 -10.647 0.447 -9.151 1.00 45.44 H new ATOM 0 HH11 ARG A 21 -14.162 0.606 -8.878 1.00 32.05 H new ATOM 0 HH12 ARG A 21 -14.376 -1.130 -9.130 1.00 32.05 H new ATOM 0 HH21 ARG A 21 -10.929 -1.781 -9.476 1.00 73.11 H new ATOM 0 HH22 ARG A 21 -12.553 -2.476 -9.467 1.00 73.11 H new ATOM 343 N GLU A 22 -11.521 5.031 -5.195 1.00 12.43 N ATOM 344 CA GLU A 22 -11.512 6.488 -5.136 1.00 52.40 C ATOM 345 C GLU A 22 -11.309 6.974 -3.704 1.00 12.03 C ATOM 346 O GLU A 22 -11.510 6.225 -2.748 1.00 22.42 O ATOM 347 CB GLU A 22 -12.820 7.052 -5.697 1.00 22.43 C ATOM 348 CG GLU A 22 -12.861 7.099 -7.215 1.00 22.12 C ATOM 349 CD GLU A 22 -14.133 7.731 -7.745 1.00 32.04 C ATOM 350 OE1 GLU A 22 -15.228 7.302 -7.324 1.00 21.25 O ATOM 351 OE2 GLU A 22 -14.035 8.654 -8.580 1.00 22.21 O ATOM 0 H GLU A 22 -12.317 4.595 -4.730 1.00 12.43 H new ATOM 0 HA GLU A 22 -10.680 6.845 -5.744 1.00 52.40 H new ATOM 0 HB2 GLU A 22 -13.651 6.445 -5.338 1.00 22.43 H new ATOM 0 HB3 GLU A 22 -12.969 8.059 -5.307 1.00 22.43 H new ATOM 0 HG2 GLU A 22 -12.001 7.660 -7.581 1.00 22.12 H new ATOM 0 HG3 GLU A 22 -12.771 6.087 -7.609 1.00 22.12 H new ATOM 358 N VAL A 23 -10.909 8.234 -3.563 1.00 72.13 N ATOM 359 CA VAL A 23 -10.679 8.821 -2.249 1.00 31.13 C ATOM 360 C VAL A 23 -11.529 10.070 -2.048 1.00 55.32 C ATOM 361 O VAL A 23 -11.318 11.091 -2.703 1.00 45.52 O ATOM 362 CB VAL A 23 -9.196 9.185 -2.048 1.00 50.24 C ATOM 363 CG1 VAL A 23 -9.042 10.202 -0.927 1.00 73.34 C ATOM 364 CG2 VAL A 23 -8.375 7.937 -1.763 1.00 70.44 C ATOM 0 H VAL A 23 -10.738 8.868 -4.344 1.00 72.13 H new ATOM 0 HA VAL A 23 -10.964 8.069 -1.513 1.00 31.13 H new ATOM 0 HB VAL A 23 -8.823 9.635 -2.968 1.00 50.24 H new ATOM 0 HG11 VAL A 23 -7.987 10.447 -0.800 1.00 73.34 H new ATOM 0 HG12 VAL A 23 -9.597 11.106 -1.177 1.00 73.34 H new ATOM 0 HG13 VAL A 23 -9.431 9.783 0.001 1.00 73.34 H new ATOM 0 HG21 VAL A 23 -7.330 8.213 -1.624 1.00 70.44 H new ATOM 0 HG22 VAL A 23 -8.747 7.456 -0.859 1.00 70.44 H new ATOM 0 HG23 VAL A 23 -8.459 7.247 -2.602 1.00 70.44 H new ATOM 374 N THR A 24 -12.494 9.983 -1.137 1.00 40.33 N ATOM 375 CA THR A 24 -13.378 11.106 -0.850 1.00 44.12 C ATOM 376 C THR A 24 -12.652 12.189 -0.060 1.00 21.23 C ATOM 377 O THR A 24 -12.103 11.927 1.010 1.00 33.42 O ATOM 378 CB THR A 24 -14.620 10.655 -0.060 1.00 14.11 C ATOM 379 OG1 THR A 24 -15.339 9.663 -0.801 1.00 53.34 O ATOM 380 CG2 THR A 24 -15.533 11.836 0.234 1.00 40.32 C ATOM 0 H THR A 24 -12.683 9.146 -0.585 1.00 40.33 H new ATOM 0 HA THR A 24 -13.696 11.512 -1.810 1.00 44.12 H new ATOM 0 HB THR A 24 -14.286 10.230 0.886 1.00 14.11 H new ATOM 0 HG1 THR A 24 -15.998 10.101 -1.379 1.00 53.34 H new ATOM 0 HG21 THR A 24 -16.404 11.493 0.793 1.00 40.32 H new ATOM 0 HG22 THR A 24 -14.992 12.576 0.824 1.00 40.32 H new ATOM 0 HG23 THR A 24 -15.858 12.287 -0.704 1.00 40.32 H new ATOM 388 N MET A 25 -12.654 13.406 -0.593 1.00 44.00 N ATOM 389 CA MET A 25 -11.996 14.529 0.065 1.00 12.21 C ATOM 390 C MET A 25 -12.926 15.736 0.138 1.00 1.32 C ATOM 391 O MET A 25 -13.814 15.901 -0.698 1.00 72.44 O ATOM 392 CB MET A 25 -10.713 14.904 -0.679 1.00 23.44 C ATOM 393 CG MET A 25 -10.961 15.609 -2.002 1.00 1.11 C ATOM 394 SD MET A 25 -10.527 14.590 -3.425 1.00 31.24 S ATOM 395 CE MET A 25 -9.248 15.590 -4.181 1.00 13.34 C ATOM 0 H MET A 25 -13.104 13.640 -1.478 1.00 44.00 H new ATOM 0 HA MET A 25 -11.742 14.225 1.081 1.00 12.21 H new ATOM 0 HB2 MET A 25 -10.108 15.549 -0.041 1.00 23.44 H new ATOM 0 HB3 MET A 25 -10.132 14.000 -0.862 1.00 23.44 H new ATOM 0 HG2 MET A 25 -12.012 15.890 -2.068 1.00 1.11 H new ATOM 0 HG3 MET A 25 -10.382 16.532 -2.031 1.00 1.11 H new ATOM 0 HE1 MET A 25 -8.598 14.955 -4.784 1.00 13.34 H new ATOM 0 HE2 MET A 25 -9.707 16.347 -4.817 1.00 13.34 H new ATOM 0 HE3 MET A 25 -8.660 16.077 -3.403 1.00 13.34 H new ATOM 405 N LYS A 26 -12.716 16.579 1.144 1.00 72.10 N ATOM 406 CA LYS A 26 -13.534 17.772 1.327 1.00 74.15 C ATOM 407 C LYS A 26 -12.704 19.036 1.129 1.00 12.34 C ATOM 408 O LYS A 26 -11.664 19.214 1.764 1.00 13.11 O ATOM 409 CB LYS A 26 -14.164 17.775 2.721 1.00 32.13 C ATOM 410 CG LYS A 26 -15.488 17.033 2.793 1.00 64.24 C ATOM 411 CD LYS A 26 -16.585 17.905 3.378 1.00 53.30 C ATOM 412 CE LYS A 26 -17.278 18.727 2.302 1.00 62.05 C ATOM 413 NZ LYS A 26 -18.757 18.562 2.344 1.00 52.41 N ATOM 0 H LYS A 26 -11.985 16.458 1.845 1.00 72.10 H new ATOM 0 HA LYS A 26 -14.326 17.758 0.578 1.00 74.15 H new ATOM 0 HB2 LYS A 26 -13.466 17.325 3.427 1.00 32.13 H new ATOM 0 HB3 LYS A 26 -14.318 18.806 3.039 1.00 32.13 H new ATOM 0 HG2 LYS A 26 -15.777 16.705 1.795 1.00 64.24 H new ATOM 0 HG3 LYS A 26 -15.371 16.137 3.402 1.00 64.24 H new ATOM 0 HD2 LYS A 26 -17.317 17.278 3.886 1.00 53.30 H new ATOM 0 HD3 LYS A 26 -16.160 18.571 4.129 1.00 53.30 H new ATOM 0 HE2 LYS A 26 -17.026 19.780 2.431 1.00 62.05 H new ATOM 0 HE3 LYS A 26 -16.907 18.428 1.322 1.00 62.05 H new ATOM 0 HZ1 LYS A 26 -19.192 19.138 1.595 1.00 52.41 H new ATOM 0 HZ2 LYS A 26 -18.999 17.561 2.196 1.00 52.41 H new ATOM 0 HZ3 LYS A 26 -19.115 18.871 3.270 1.00 52.41 H new ATOM 427 N LYS A 27 -13.171 19.913 0.247 1.00 43.22 N ATOM 428 CA LYS A 27 -12.474 21.163 -0.033 1.00 24.05 C ATOM 429 C LYS A 27 -11.947 21.792 1.254 1.00 72.43 C ATOM 430 O LYS A 27 -12.708 22.363 2.033 1.00 11.42 O ATOM 431 CB LYS A 27 -13.407 22.143 -0.747 1.00 31.02 C ATOM 432 CG LYS A 27 -12.689 23.340 -1.346 1.00 13.02 C ATOM 433 CD LYS A 27 -13.666 24.317 -1.978 1.00 13.11 C ATOM 434 CE LYS A 27 -14.369 25.162 -0.926 1.00 43.01 C ATOM 435 NZ LYS A 27 -14.559 26.567 -1.380 1.00 53.42 N ATOM 0 H LYS A 27 -14.030 19.781 -0.287 1.00 43.22 H new ATOM 0 HA LYS A 27 -11.627 20.940 -0.682 1.00 24.05 H new ATOM 0 HB2 LYS A 27 -13.938 21.615 -1.539 1.00 31.02 H new ATOM 0 HB3 LYS A 27 -14.158 22.497 -0.041 1.00 31.02 H new ATOM 0 HG2 LYS A 27 -12.116 23.848 -0.570 1.00 13.02 H new ATOM 0 HG3 LYS A 27 -11.976 23.000 -2.097 1.00 13.02 H new ATOM 0 HD2 LYS A 27 -13.134 24.967 -2.672 1.00 13.11 H new ATOM 0 HD3 LYS A 27 -14.407 23.768 -2.559 1.00 13.11 H new ATOM 0 HE2 LYS A 27 -15.338 24.721 -0.694 1.00 43.01 H new ATOM 0 HE3 LYS A 27 -13.787 25.154 -0.005 1.00 43.01 H new ATOM 0 HZ1 LYS A 27 -15.041 27.110 -0.636 1.00 53.42 H new ATOM 0 HZ2 LYS A 27 -13.633 26.996 -1.577 1.00 53.42 H new ATOM 0 HZ3 LYS A 27 -15.136 26.577 -2.245 1.00 53.42 H new ATOM 449 N GLY A 28 -10.640 21.683 1.469 1.00 65.44 N ATOM 450 CA GLY A 28 -10.034 22.246 2.661 1.00 52.30 C ATOM 451 C GLY A 28 -9.604 21.182 3.651 1.00 1.42 C ATOM 452 O GLY A 28 -9.562 21.427 4.857 1.00 50.51 O ATOM 0 H GLY A 28 -9.989 21.214 0.838 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -9.168 22.844 2.377 1.00 52.30 H new ATOM 0 HA3 GLY A 28 -10.743 22.920 3.142 1.00 52.30 H new ATOM 456 N ASP A 29 -9.285 19.997 3.142 1.00 1.44 N ATOM 457 CA ASP A 29 -8.856 18.891 3.991 1.00 52.43 C ATOM 458 C ASP A 29 -7.447 18.438 3.622 1.00 1.52 C ATOM 459 O ASP A 29 -6.831 18.980 2.704 1.00 43.11 O ATOM 460 CB ASP A 29 -9.831 17.719 3.868 1.00 64.14 C ATOM 461 CG ASP A 29 -9.362 16.679 2.869 1.00 53.35 C ATOM 462 OD1 ASP A 29 -8.970 17.067 1.748 1.00 52.22 O ATOM 463 OD2 ASP A 29 -9.387 15.478 3.208 1.00 61.15 O ATOM 0 H ASP A 29 -9.315 19.777 2.146 1.00 1.44 H new ATOM 0 HA ASP A 29 -8.847 19.239 5.024 1.00 52.43 H new ATOM 0 HB2 ASP A 29 -9.957 17.250 4.844 1.00 64.14 H new ATOM 0 HB3 ASP A 29 -10.809 18.094 3.566 1.00 64.14 H new ATOM 468 N ILE A 30 -6.943 17.444 4.345 1.00 62.24 N ATOM 469 CA ILE A 30 -5.607 16.919 4.093 1.00 25.33 C ATOM 470 C ILE A 30 -5.640 15.409 3.884 1.00 64.41 C ATOM 471 O ILE A 30 -6.381 14.693 4.559 1.00 5.15 O ATOM 472 CB ILE A 30 -4.647 17.244 5.253 1.00 64.11 C ATOM 473 CG1 ILE A 30 -3.472 18.086 4.751 1.00 40.04 C ATOM 474 CG2 ILE A 30 -4.147 15.962 5.902 1.00 21.03 C ATOM 475 CD1 ILE A 30 -2.527 17.327 3.846 1.00 74.54 C ATOM 0 H ILE A 30 -7.439 16.986 5.110 1.00 62.24 H new ATOM 0 HA ILE A 30 -5.244 17.401 3.185 1.00 25.33 H new ATOM 0 HB ILE A 30 -5.189 17.821 6.003 1.00 64.11 H new ATOM 0 HG12 ILE A 30 -3.859 18.952 4.214 1.00 40.04 H new ATOM 0 HG13 ILE A 30 -2.915 18.465 5.608 1.00 40.04 H new ATOM 0 HG21 ILE A 30 -3.470 16.208 6.720 1.00 21.03 H new ATOM 0 HG22 ILE A 30 -4.994 15.396 6.290 1.00 21.03 H new ATOM 0 HG23 ILE A 30 -3.618 15.362 5.162 1.00 21.03 H new ATOM 0 HD11 ILE A 30 -1.719 17.986 3.529 1.00 74.54 H new ATOM 0 HD12 ILE A 30 -2.111 16.477 4.386 1.00 74.54 H new ATOM 0 HD13 ILE A 30 -3.069 16.971 2.970 1.00 74.54 H new ATOM 487 N LEU A 31 -4.831 14.929 2.945 1.00 12.31 N ATOM 488 CA LEU A 31 -4.766 13.503 2.647 1.00 23.22 C ATOM 489 C LEU A 31 -3.318 13.038 2.523 1.00 51.43 C ATOM 490 O LEU A 31 -2.414 13.842 2.291 1.00 20.03 O ATOM 491 CB LEU A 31 -5.525 13.196 1.355 1.00 45.22 C ATOM 492 CG LEU A 31 -5.800 14.389 0.439 1.00 45.31 C ATOM 493 CD1 LEU A 31 -5.858 13.944 -1.014 1.00 44.42 C ATOM 494 CD2 LEU A 31 -7.094 15.081 0.839 1.00 54.41 C ATOM 0 H LEU A 31 -4.211 15.507 2.377 1.00 12.31 H new ATOM 0 HA LEU A 31 -5.232 12.963 3.471 1.00 23.22 H new ATOM 0 HB2 LEU A 31 -4.959 12.454 0.792 1.00 45.22 H new ATOM 0 HB3 LEU A 31 -6.478 12.737 1.617 1.00 45.22 H new ATOM 0 HG LEU A 31 -4.982 15.102 0.547 1.00 45.31 H new ATOM 0 HD11 LEU A 31 -6.055 14.806 -1.651 1.00 44.42 H new ATOM 0 HD12 LEU A 31 -4.906 13.495 -1.295 1.00 44.42 H new ATOM 0 HD13 LEU A 31 -6.656 13.212 -1.139 1.00 44.42 H new ATOM 0 HD21 LEU A 31 -7.274 15.928 0.176 1.00 54.41 H new ATOM 0 HD22 LEU A 31 -7.922 14.377 0.761 1.00 54.41 H new ATOM 0 HD23 LEU A 31 -7.015 15.435 1.867 1.00 54.41 H new ATOM 506 N THR A 32 -3.105 11.735 2.676 1.00 43.03 N ATOM 507 CA THR A 32 -1.768 11.163 2.579 1.00 22.04 C ATOM 508 C THR A 32 -1.540 10.523 1.215 1.00 53.34 C ATOM 509 O THR A 32 -2.175 9.525 0.872 1.00 72.12 O ATOM 510 CB THR A 32 -1.528 10.107 3.675 1.00 74.10 C ATOM 511 OG1 THR A 32 -2.058 10.567 4.923 1.00 12.22 O ATOM 512 CG2 THR A 32 -0.044 9.811 3.826 1.00 1.35 C ATOM 0 H THR A 32 -3.841 11.056 2.868 1.00 43.03 H new ATOM 0 HA THR A 32 -1.063 11.984 2.714 1.00 22.04 H new ATOM 0 HB THR A 32 -2.037 9.189 3.381 1.00 74.10 H new ATOM 0 HG1 THR A 32 -1.903 9.889 5.614 1.00 12.22 H new ATOM 0 HG21 THR A 32 0.100 9.063 4.605 1.00 1.35 H new ATOM 0 HG22 THR A 32 0.349 9.433 2.882 1.00 1.35 H new ATOM 0 HG23 THR A 32 0.483 10.725 4.098 1.00 1.35 H new ATOM 520 N LEU A 33 -0.631 11.103 0.439 1.00 40.10 N ATOM 521 CA LEU A 33 -0.319 10.589 -0.890 1.00 22.41 C ATOM 522 C LEU A 33 0.310 9.201 -0.803 1.00 53.50 C ATOM 523 O LEU A 33 1.058 8.904 0.129 1.00 10.43 O ATOM 524 CB LEU A 33 0.627 11.545 -1.619 1.00 72.43 C ATOM 525 CG LEU A 33 -0.038 12.618 -2.482 1.00 70.43 C ATOM 526 CD1 LEU A 33 -0.579 12.010 -3.767 1.00 61.22 C ATOM 527 CD2 LEU A 33 -1.150 13.311 -1.709 1.00 31.13 C ATOM 0 H LEU A 33 -0.097 11.930 0.707 1.00 40.10 H new ATOM 0 HA LEU A 33 -1.250 10.512 -1.451 1.00 22.41 H new ATOM 0 HB2 LEU A 33 1.254 12.040 -0.877 1.00 72.43 H new ATOM 0 HB3 LEU A 33 1.289 10.956 -2.253 1.00 72.43 H new ATOM 0 HG LEU A 33 0.713 13.363 -2.744 1.00 70.43 H new ATOM 0 HD11 LEU A 33 -1.049 12.788 -4.368 1.00 61.22 H new ATOM 0 HD12 LEU A 33 0.239 11.561 -4.330 1.00 61.22 H new ATOM 0 HD13 LEU A 33 -1.316 11.244 -3.525 1.00 61.22 H new ATOM 0 HD21 LEU A 33 -1.612 14.071 -2.339 1.00 31.13 H new ATOM 0 HD22 LEU A 33 -1.901 12.577 -1.416 1.00 31.13 H new ATOM 0 HD23 LEU A 33 -0.735 13.781 -0.818 1.00 31.13 H new ATOM 539 N LEU A 34 0.003 8.356 -1.781 1.00 11.40 N ATOM 540 CA LEU A 34 0.540 7.000 -1.817 1.00 15.42 C ATOM 541 C LEU A 34 1.359 6.772 -3.083 1.00 0.31 C ATOM 542 O LEU A 34 2.554 6.487 -3.018 1.00 11.24 O ATOM 543 CB LEU A 34 -0.597 5.979 -1.740 1.00 63.01 C ATOM 544 CG LEU A 34 -0.867 5.378 -0.360 1.00 63.34 C ATOM 545 CD1 LEU A 34 -2.335 5.526 0.009 1.00 45.43 C ATOM 546 CD2 LEU A 34 -0.452 3.914 -0.326 1.00 41.00 C ATOM 0 H LEU A 34 -0.615 8.586 -2.559 1.00 11.40 H new ATOM 0 HA LEU A 34 1.195 6.871 -0.955 1.00 15.42 H new ATOM 0 HB2 LEU A 34 -1.512 6.456 -2.092 1.00 63.01 H new ATOM 0 HB3 LEU A 34 -0.376 5.166 -2.431 1.00 63.01 H new ATOM 0 HG LEU A 34 -0.272 5.921 0.374 1.00 63.34 H new ATOM 0 HD11 LEU A 34 -2.508 5.093 0.994 1.00 45.43 H new ATOM 0 HD12 LEU A 34 -2.601 6.583 0.026 1.00 45.43 H new ATOM 0 HD13 LEU A 34 -2.949 5.009 -0.728 1.00 45.43 H new ATOM 0 HD21 LEU A 34 -0.651 3.502 0.663 1.00 41.00 H new ATOM 0 HD22 LEU A 34 -1.020 3.357 -1.072 1.00 41.00 H new ATOM 0 HD23 LEU A 34 0.613 3.832 -0.545 1.00 41.00 H new ATOM 558 N ASN A 35 0.708 6.902 -4.234 1.00 40.24 N ATOM 559 CA ASN A 35 1.377 6.712 -5.516 1.00 60.13 C ATOM 560 C ASN A 35 2.014 8.013 -5.996 1.00 21.42 C ATOM 561 O ASN A 35 3.238 8.147 -6.014 1.00 34.21 O ATOM 562 CB ASN A 35 0.384 6.201 -6.562 1.00 41.24 C ATOM 563 CG ASN A 35 1.030 5.993 -7.919 1.00 15.01 C ATOM 564 OD1 ASN A 35 0.464 6.357 -8.950 1.00 70.31 O ATOM 565 ND2 ASN A 35 2.220 5.405 -7.923 1.00 60.34 N ATOM 0 H ASN A 35 -0.282 7.138 -4.306 1.00 40.24 H new ATOM 0 HA ASN A 35 2.165 5.971 -5.380 1.00 60.13 H new ATOM 0 HB2 ASN A 35 -0.048 5.260 -6.220 1.00 41.24 H new ATOM 0 HB3 ASN A 35 -0.436 6.912 -6.658 1.00 41.24 H new ATOM 0 HD21 ASN A 35 2.703 5.238 -8.806 1.00 60.34 H new ATOM 0 HD22 ASN A 35 2.651 5.120 -7.044 1.00 60.34 H new ATOM 572 N SER A 36 1.175 8.968 -6.383 1.00 4.41 N ATOM 573 CA SER A 36 1.656 10.258 -6.866 1.00 21.33 C ATOM 574 C SER A 36 2.386 10.102 -8.196 1.00 65.31 C ATOM 575 O SER A 36 3.145 10.980 -8.609 1.00 75.12 O ATOM 576 CB SER A 36 2.585 10.899 -5.833 1.00 23.41 C ATOM 577 OG SER A 36 1.967 12.013 -5.213 1.00 43.11 O ATOM 0 H SER A 36 0.159 8.874 -6.372 1.00 4.41 H new ATOM 0 HA SER A 36 0.793 10.906 -7.019 1.00 21.33 H new ATOM 0 HB2 SER A 36 2.856 10.162 -5.077 1.00 23.41 H new ATOM 0 HB3 SER A 36 3.509 11.215 -6.317 1.00 23.41 H new ATOM 0 HG SER A 36 2.580 12.404 -4.556 1.00 43.11 H new ATOM 583 N THR A 37 2.153 8.976 -8.864 1.00 12.01 N ATOM 584 CA THR A 37 2.788 8.703 -10.147 1.00 21.53 C ATOM 585 C THR A 37 1.844 9.009 -11.304 1.00 25.10 C ATOM 586 O THR A 37 2.277 9.434 -12.374 1.00 64.32 O ATOM 587 CB THR A 37 3.244 7.235 -10.246 1.00 24.40 C ATOM 588 OG1 THR A 37 4.136 6.925 -9.169 1.00 71.21 O ATOM 589 CG2 THR A 37 3.936 6.972 -11.575 1.00 72.42 C ATOM 0 H THR A 37 1.529 8.238 -8.537 1.00 12.01 H new ATOM 0 HA THR A 37 3.661 9.353 -10.213 1.00 21.53 H new ATOM 0 HB THR A 37 2.362 6.599 -10.181 1.00 24.40 H new ATOM 0 HG1 THR A 37 4.543 6.047 -9.324 1.00 71.21 H new ATOM 0 HG21 THR A 37 4.249 5.929 -11.622 1.00 72.42 H new ATOM 0 HG22 THR A 37 3.246 7.181 -12.392 1.00 72.42 H new ATOM 0 HG23 THR A 37 4.810 7.618 -11.664 1.00 72.42 H new ATOM 597 N ASN A 38 0.552 8.791 -11.082 1.00 24.15 N ATOM 598 CA ASN A 38 -0.453 9.044 -12.107 1.00 51.31 C ATOM 599 C ASN A 38 -1.104 10.409 -11.905 1.00 14.01 C ATOM 600 O ASN A 38 -2.004 10.564 -11.078 1.00 45.22 O ATOM 601 CB ASN A 38 -1.521 7.949 -12.085 1.00 70.24 C ATOM 602 CG ASN A 38 -2.695 8.268 -12.990 1.00 53.14 C ATOM 603 OD1 ASN A 38 -3.853 8.131 -12.595 1.00 71.43 O ATOM 604 ND2 ASN A 38 -2.401 8.697 -14.212 1.00 61.12 N ATOM 0 H ASN A 38 0.177 8.440 -10.201 1.00 24.15 H new ATOM 0 HA ASN A 38 0.044 9.038 -13.077 1.00 51.31 H new ATOM 0 HB2 ASN A 38 -1.075 7.004 -12.393 1.00 70.24 H new ATOM 0 HB3 ASN A 38 -1.879 7.815 -11.064 1.00 70.24 H new ATOM 0 HD21 ASN A 38 -3.150 8.928 -14.865 1.00 61.12 H new ATOM 0 HD22 ASN A 38 -1.427 8.796 -14.497 1.00 61.12 H new ATOM 611 N LYS A 39 -0.645 11.396 -12.666 1.00 41.41 N ATOM 612 CA LYS A 39 -1.183 12.748 -12.573 1.00 43.54 C ATOM 613 C LYS A 39 -2.708 12.730 -12.599 1.00 3.41 C ATOM 614 O LYS A 39 -3.359 13.345 -11.754 1.00 54.14 O ATOM 615 CB LYS A 39 -0.653 13.610 -13.722 1.00 70.10 C ATOM 616 CG LYS A 39 -1.323 14.970 -13.821 1.00 62.45 C ATOM 617 CD LYS A 39 -0.748 15.792 -14.963 1.00 34.12 C ATOM 618 CE LYS A 39 0.393 16.680 -14.491 1.00 33.12 C ATOM 619 NZ LYS A 39 0.330 18.036 -15.103 1.00 12.13 N ATOM 0 H LYS A 39 0.099 11.285 -13.355 1.00 41.41 H new ATOM 0 HA LYS A 39 -0.858 13.177 -11.625 1.00 43.54 H new ATOM 0 HB2 LYS A 39 0.420 13.751 -13.594 1.00 70.10 H new ATOM 0 HB3 LYS A 39 -0.794 13.075 -14.661 1.00 70.10 H new ATOM 0 HG2 LYS A 39 -2.395 14.839 -13.969 1.00 62.45 H new ATOM 0 HG3 LYS A 39 -1.195 15.509 -12.882 1.00 62.45 H new ATOM 0 HD2 LYS A 39 -0.391 15.126 -15.748 1.00 34.12 H new ATOM 0 HD3 LYS A 39 -1.533 16.409 -15.400 1.00 34.12 H new ATOM 0 HE2 LYS A 39 0.358 16.770 -13.405 1.00 33.12 H new ATOM 0 HE3 LYS A 39 1.345 16.212 -14.742 1.00 33.12 H new ATOM 0 HZ1 LYS A 39 1.124 18.611 -14.756 1.00 12.13 H new ATOM 0 HZ2 LYS A 39 0.389 17.953 -16.138 1.00 12.13 H new ATOM 0 HZ3 LYS A 39 -0.567 18.493 -14.843 1.00 12.13 H new ATOM 633 N ASP A 40 -3.270 12.021 -13.571 1.00 51.12 N ATOM 634 CA ASP A 40 -4.719 11.921 -13.705 1.00 21.13 C ATOM 635 C ASP A 40 -5.362 11.544 -12.374 1.00 34.30 C ATOM 636 O ASP A 40 -6.361 12.137 -11.966 1.00 4.41 O ATOM 637 CB ASP A 40 -5.084 10.889 -14.773 1.00 22.44 C ATOM 638 CG ASP A 40 -4.238 11.025 -16.023 1.00 44.30 C ATOM 639 OD1 ASP A 40 -3.720 9.996 -16.505 1.00 22.21 O ATOM 640 OD2 ASP A 40 -4.094 12.161 -16.520 1.00 42.53 O ATOM 0 H ASP A 40 -2.745 11.507 -14.278 1.00 51.12 H new ATOM 0 HA ASP A 40 -5.100 12.896 -14.009 1.00 21.13 H new ATOM 0 HB2 ASP A 40 -4.962 9.887 -14.362 1.00 22.44 H new ATOM 0 HB3 ASP A 40 -6.136 10.999 -15.036 1.00 22.44 H new ATOM 645 N TRP A 41 -4.785 10.553 -11.703 1.00 51.44 N ATOM 646 CA TRP A 41 -5.303 10.096 -10.419 1.00 54.30 C ATOM 647 C TRP A 41 -4.166 9.745 -9.467 1.00 3.44 C ATOM 648 O TRP A 41 -3.378 8.838 -9.734 1.00 71.10 O ATOM 649 CB TRP A 41 -6.213 8.882 -10.616 1.00 10.53 C ATOM 650 CG TRP A 41 -7.570 9.237 -11.145 1.00 21.52 C ATOM 651 CD1 TRP A 41 -7.944 9.314 -12.456 1.00 62.20 C ATOM 652 CD2 TRP A 41 -8.732 9.563 -10.374 1.00 43.14 C ATOM 653 NE1 TRP A 41 -9.268 9.669 -12.547 1.00 71.31 N ATOM 654 CE2 TRP A 41 -9.774 9.827 -11.284 1.00 73.32 C ATOM 655 CE3 TRP A 41 -8.993 9.656 -9.005 1.00 13.51 C ATOM 656 CZ2 TRP A 41 -11.055 10.178 -10.867 1.00 12.05 C ATOM 657 CZ3 TRP A 41 -10.265 10.006 -8.592 1.00 30.40 C ATOM 658 CH2 TRP A 41 -11.283 10.262 -9.520 1.00 12.11 C ATOM 0 H TRP A 41 -3.958 10.051 -12.027 1.00 51.44 H new ATOM 0 HA TRP A 41 -5.882 10.908 -9.979 1.00 54.30 H new ATOM 0 HB2 TRP A 41 -5.734 8.185 -11.304 1.00 10.53 H new ATOM 0 HB3 TRP A 41 -6.326 8.363 -9.664 1.00 10.53 H new ATOM 0 HD1 TRP A 41 -7.294 9.124 -13.298 1.00 62.20 H new ATOM 0 HE1 TRP A 41 -9.790 9.795 -13.414 1.00 71.31 H new ATOM 0 HE3 TRP A 41 -8.215 9.458 -8.282 1.00 13.51 H new ATOM 0 HZ2 TRP A 41 -11.841 10.377 -11.581 1.00 12.05 H new ATOM 0 HZ3 TRP A 41 -10.478 10.083 -7.536 1.00 30.40 H new ATOM 0 HH2 TRP A 41 -12.267 10.531 -9.165 1.00 12.11 H new ATOM 669 N TRP A 42 -4.086 10.469 -8.356 1.00 24.01 N ATOM 670 CA TRP A 42 -3.043 10.233 -7.364 1.00 20.24 C ATOM 671 C TRP A 42 -3.568 9.379 -6.215 1.00 32.11 C ATOM 672 O TRP A 42 -4.354 9.845 -5.390 1.00 3.54 O ATOM 673 CB TRP A 42 -2.512 11.562 -6.826 1.00 3.43 C ATOM 674 CG TRP A 42 -1.580 12.256 -7.772 1.00 42.44 C ATOM 675 CD1 TRP A 42 -0.804 11.674 -8.734 1.00 33.33 C ATOM 676 CD2 TRP A 42 -1.325 13.663 -7.847 1.00 2.34 C ATOM 677 NE1 TRP A 42 -0.082 12.634 -9.401 1.00 75.31 N ATOM 678 CE2 TRP A 42 -0.385 13.862 -8.876 1.00 45.45 C ATOM 679 CE3 TRP A 42 -1.801 14.774 -7.145 1.00 44.31 C ATOM 680 CZ2 TRP A 42 0.088 15.127 -9.218 1.00 72.34 C ATOM 681 CZ3 TRP A 42 -1.331 16.028 -7.486 1.00 4.35 C ATOM 682 CH2 TRP A 42 -0.395 16.197 -8.515 1.00 21.40 C ATOM 0 H TRP A 42 -4.730 11.224 -8.120 1.00 24.01 H new ATOM 0 HA TRP A 42 -2.229 9.695 -7.850 1.00 20.24 H new ATOM 0 HB2 TRP A 42 -3.353 12.220 -6.608 1.00 3.43 H new ATOM 0 HB3 TRP A 42 -1.995 11.383 -5.883 1.00 3.43 H new ATOM 0 HD1 TRP A 42 -0.764 10.615 -8.940 1.00 33.33 H new ATOM 0 HE1 TRP A 42 0.573 12.460 -10.163 1.00 75.31 H new ATOM 0 HE3 TRP A 42 -2.523 14.655 -6.351 1.00 44.31 H new ATOM 0 HZ2 TRP A 42 0.810 15.258 -10.010 1.00 72.34 H new ATOM 0 HZ3 TRP A 42 -1.692 16.893 -6.950 1.00 4.35 H new ATOM 0 HH2 TRP A 42 -0.048 17.191 -8.758 1.00 21.40 H new ATOM 693 N LYS A 43 -3.130 8.125 -6.167 1.00 2.54 N ATOM 694 CA LYS A 43 -3.554 7.206 -5.118 1.00 33.22 C ATOM 695 C LYS A 43 -3.181 7.743 -3.740 1.00 30.43 C ATOM 696 O LYS A 43 -2.035 8.124 -3.500 1.00 71.43 O ATOM 697 CB LYS A 43 -2.919 5.830 -5.330 1.00 34.30 C ATOM 698 CG LYS A 43 -3.246 4.833 -4.231 1.00 52.13 C ATOM 699 CD LYS A 43 -2.061 3.934 -3.924 1.00 22.34 C ATOM 700 CE LYS A 43 -2.302 2.510 -4.403 1.00 43.52 C ATOM 701 NZ LYS A 43 -1.757 2.286 -5.771 1.00 2.32 N ATOM 0 H LYS A 43 -2.481 7.722 -6.843 1.00 2.54 H new ATOM 0 HA LYS A 43 -4.639 7.111 -5.170 1.00 33.22 H new ATOM 0 HB2 LYS A 43 -3.255 5.428 -6.286 1.00 34.30 H new ATOM 0 HB3 LYS A 43 -1.837 5.945 -5.395 1.00 34.30 H new ATOM 0 HG2 LYS A 43 -3.541 5.368 -3.329 1.00 52.13 H new ATOM 0 HG3 LYS A 43 -4.098 4.224 -4.533 1.00 52.13 H new ATOM 0 HD2 LYS A 43 -1.167 4.333 -4.402 1.00 22.34 H new ATOM 0 HD3 LYS A 43 -1.874 3.931 -2.850 1.00 22.34 H new ATOM 0 HE2 LYS A 43 -1.839 1.810 -3.708 1.00 43.52 H new ATOM 0 HE3 LYS A 43 -3.372 2.302 -4.400 1.00 43.52 H new ATOM 0 HZ1 LYS A 43 -1.941 1.305 -6.062 1.00 2.32 H new ATOM 0 HZ2 LYS A 43 -2.217 2.937 -6.439 1.00 2.32 H new ATOM 0 HZ3 LYS A 43 -0.732 2.460 -5.769 1.00 2.32 H new ATOM 715 N VAL A 44 -4.155 7.769 -2.836 1.00 33.52 N ATOM 716 CA VAL A 44 -3.928 8.256 -1.481 1.00 11.04 C ATOM 717 C VAL A 44 -4.721 7.443 -0.464 1.00 32.32 C ATOM 718 O VAL A 44 -5.602 6.665 -0.828 1.00 54.25 O ATOM 719 CB VAL A 44 -4.313 9.741 -1.346 1.00 55.34 C ATOM 720 CG1 VAL A 44 -3.617 10.572 -2.413 1.00 51.23 C ATOM 721 CG2 VAL A 44 -5.823 9.909 -1.429 1.00 51.12 C ATOM 0 H VAL A 44 -5.109 7.458 -3.018 1.00 33.52 H new ATOM 0 HA VAL A 44 -2.863 8.145 -1.280 1.00 11.04 H new ATOM 0 HB VAL A 44 -3.983 10.097 -0.370 1.00 55.34 H new ATOM 0 HG11 VAL A 44 -3.901 11.618 -2.302 1.00 51.23 H new ATOM 0 HG12 VAL A 44 -2.537 10.475 -2.302 1.00 51.23 H new ATOM 0 HG13 VAL A 44 -3.914 10.218 -3.400 1.00 51.23 H new ATOM 0 HG21 VAL A 44 -6.078 10.964 -1.332 1.00 51.12 H new ATOM 0 HG22 VAL A 44 -6.178 9.537 -2.390 1.00 51.12 H new ATOM 0 HG23 VAL A 44 -6.296 9.346 -0.625 1.00 51.12 H new ATOM 731 N GLU A 45 -4.402 7.629 0.813 1.00 22.52 N ATOM 732 CA GLU A 45 -5.085 6.911 1.883 1.00 11.00 C ATOM 733 C GLU A 45 -5.793 7.882 2.824 1.00 44.01 C ATOM 734 O GLU A 45 -5.188 8.829 3.327 1.00 44.04 O ATOM 735 CB GLU A 45 -4.090 6.055 2.670 1.00 52.03 C ATOM 736 CG GLU A 45 -4.628 5.570 4.006 1.00 44.24 C ATOM 737 CD GLU A 45 -3.772 4.477 4.616 1.00 35.13 C ATOM 738 OE1 GLU A 45 -3.447 4.581 5.818 1.00 61.33 O ATOM 739 OE2 GLU A 45 -3.429 3.518 3.894 1.00 43.42 O ATOM 0 H GLU A 45 -3.676 8.270 1.132 1.00 22.52 H new ATOM 0 HA GLU A 45 -5.833 6.261 1.429 1.00 11.00 H new ATOM 0 HB2 GLU A 45 -3.809 5.192 2.066 1.00 52.03 H new ATOM 0 HB3 GLU A 45 -3.182 6.633 2.842 1.00 52.03 H new ATOM 0 HG2 GLU A 45 -4.685 6.411 4.698 1.00 44.24 H new ATOM 0 HG3 GLU A 45 -5.644 5.199 3.871 1.00 44.24 H new ATOM 746 N VAL A 46 -7.079 7.640 3.057 1.00 23.21 N ATOM 747 CA VAL A 46 -7.870 8.491 3.937 1.00 4.45 C ATOM 748 C VAL A 46 -8.867 7.670 4.746 1.00 20.33 C ATOM 749 O VAL A 46 -9.581 6.830 4.201 1.00 75.11 O ATOM 750 CB VAL A 46 -8.633 9.566 3.141 1.00 0.43 C ATOM 751 CG1 VAL A 46 -7.686 10.665 2.683 1.00 62.10 C ATOM 752 CG2 VAL A 46 -9.351 8.941 1.955 1.00 62.21 C ATOM 0 H VAL A 46 -7.595 6.861 2.648 1.00 23.21 H new ATOM 0 HA VAL A 46 -7.171 8.980 4.616 1.00 4.45 H new ATOM 0 HB VAL A 46 -9.381 10.014 3.795 1.00 0.43 H new ATOM 0 HG11 VAL A 46 -8.243 11.415 2.122 1.00 62.10 H new ATOM 0 HG12 VAL A 46 -7.223 11.132 3.552 1.00 62.10 H new ATOM 0 HG13 VAL A 46 -6.912 10.236 2.046 1.00 62.10 H new ATOM 0 HG21 VAL A 46 -9.885 9.715 1.404 1.00 62.21 H new ATOM 0 HG22 VAL A 46 -8.623 8.465 1.298 1.00 62.21 H new ATOM 0 HG23 VAL A 46 -10.061 8.194 2.312 1.00 62.21 H new ATOM 762 N ASN A 47 -8.910 7.919 6.051 1.00 20.42 N ATOM 763 CA ASN A 47 -9.820 7.201 6.937 1.00 54.55 C ATOM 764 C ASN A 47 -9.891 5.724 6.563 1.00 71.10 C ATOM 765 O ASN A 47 -10.922 5.240 6.096 1.00 33.21 O ATOM 766 CB ASN A 47 -11.218 7.822 6.876 1.00 23.33 C ATOM 767 CG ASN A 47 -11.576 8.307 5.485 1.00 64.43 C ATOM 768 OD1 ASN A 47 -11.364 9.472 5.148 1.00 61.43 O ATOM 769 ND2 ASN A 47 -12.121 7.412 4.669 1.00 53.22 N ATOM 0 H ASN A 47 -8.326 8.612 6.518 1.00 20.42 H new ATOM 0 HA ASN A 47 -9.437 7.281 7.954 1.00 54.55 H new ATOM 0 HB2 ASN A 47 -11.954 7.086 7.202 1.00 23.33 H new ATOM 0 HB3 ASN A 47 -11.272 8.657 7.574 1.00 23.33 H new ATOM 0 HD21 ASN A 47 -12.382 7.679 3.720 1.00 53.22 H new ATOM 0 HD22 ASN A 47 -12.278 6.457 4.991 1.00 53.22 H new ATOM 776 N ASP A 48 -8.789 5.013 6.772 1.00 4.14 N ATOM 777 CA ASP A 48 -8.725 3.590 6.460 1.00 53.24 C ATOM 778 C ASP A 48 -9.426 3.293 5.137 1.00 21.25 C ATOM 779 O ASP A 48 -10.078 2.259 4.988 1.00 11.31 O ATOM 780 CB ASP A 48 -9.361 2.770 7.584 1.00 42.45 C ATOM 781 CG ASP A 48 -8.607 1.484 7.860 1.00 42.52 C ATOM 782 OD1 ASP A 48 -8.774 0.520 7.084 1.00 62.10 O ATOM 783 OD2 ASP A 48 -7.849 1.443 8.851 1.00 20.12 O ATOM 0 H ASP A 48 -7.927 5.399 7.157 1.00 4.14 H new ATOM 0 HA ASP A 48 -7.676 3.310 6.366 1.00 53.24 H new ATOM 0 HB2 ASP A 48 -9.395 3.370 8.493 1.00 42.45 H new ATOM 0 HB3 ASP A 48 -10.392 2.534 7.319 1.00 42.45 H new ATOM 788 N ARG A 49 -9.287 4.206 4.182 1.00 73.23 N ATOM 789 CA ARG A 49 -9.909 4.042 2.873 1.00 2.31 C ATOM 790 C ARG A 49 -9.062 4.695 1.784 1.00 73.41 C ATOM 791 O ARG A 49 -9.277 5.853 1.429 1.00 52.12 O ATOM 792 CB ARG A 49 -11.314 4.647 2.873 1.00 42.40 C ATOM 793 CG ARG A 49 -12.424 3.610 2.842 1.00 61.33 C ATOM 794 CD ARG A 49 -12.554 2.975 1.466 1.00 33.20 C ATOM 795 NE ARG A 49 -13.881 3.181 0.891 1.00 1.43 N ATOM 796 CZ ARG A 49 -14.966 2.531 1.295 1.00 33.04 C ATOM 797 NH1 ARG A 49 -14.883 1.638 2.272 1.00 61.45 N ATOM 798 NH2 ARG A 49 -16.139 2.774 0.723 1.00 5.11 N ATOM 0 H ARG A 49 -8.750 5.066 4.289 1.00 73.23 H new ATOM 0 HA ARG A 49 -9.981 2.975 2.663 1.00 2.31 H new ATOM 0 HB2 ARG A 49 -11.433 5.268 3.761 1.00 42.40 H new ATOM 0 HB3 ARG A 49 -11.418 5.304 2.009 1.00 42.40 H new ATOM 0 HG2 ARG A 49 -12.222 2.837 3.583 1.00 61.33 H new ATOM 0 HG3 ARG A 49 -13.369 4.078 3.119 1.00 61.33 H new ATOM 0 HD2 ARG A 49 -11.801 3.396 0.800 1.00 33.20 H new ATOM 0 HD3 ARG A 49 -12.353 1.906 1.540 1.00 33.20 H new ATOM 0 HE ARG A 49 -13.979 3.862 0.138 1.00 1.43 H new ATOM 0 HH11 ARG A 49 -13.984 1.449 2.715 1.00 61.45 H new ATOM 0 HH12 ARG A 49 -15.718 1.140 2.580 1.00 61.45 H new ATOM 0 HH21 ARG A 49 -16.208 3.461 -0.028 1.00 5.11 H new ATOM 0 HH22 ARG A 49 -16.972 2.274 1.034 1.00 5.11 H new ATOM 812 N GLN A 50 -8.100 3.942 1.259 1.00 13.43 N ATOM 813 CA GLN A 50 -7.221 4.448 0.212 1.00 52.52 C ATOM 814 C GLN A 50 -7.754 4.082 -1.170 1.00 5.33 C ATOM 815 O GLN A 50 -8.423 3.064 -1.338 1.00 52.21 O ATOM 816 CB GLN A 50 -5.807 3.892 0.390 1.00 14.45 C ATOM 817 CG GLN A 50 -5.651 2.460 -0.095 1.00 11.30 C ATOM 818 CD GLN A 50 -4.773 2.354 -1.326 1.00 50.12 C ATOM 819 OE1 GLN A 50 -5.251 2.047 -2.419 1.00 4.02 O ATOM 820 NE2 GLN A 50 -3.481 2.608 -1.156 1.00 1.32 N ATOM 0 H GLN A 50 -7.910 2.980 1.542 1.00 13.43 H new ATOM 0 HA GLN A 50 -7.189 5.534 0.293 1.00 52.52 H new ATOM 0 HB2 GLN A 50 -5.105 4.528 -0.149 1.00 14.45 H new ATOM 0 HB3 GLN A 50 -5.536 3.941 1.445 1.00 14.45 H new ATOM 0 HG2 GLN A 50 -5.224 1.854 0.704 1.00 11.30 H new ATOM 0 HG3 GLN A 50 -6.635 2.047 -0.318 1.00 11.30 H new ATOM 0 HE21 GLN A 50 -3.128 2.859 -0.233 1.00 1.32 H new ATOM 0 HE22 GLN A 50 -2.842 2.552 -1.949 1.00 1.32 H new ATOM 829 N GLY A 51 -7.451 4.921 -2.157 1.00 30.44 N ATOM 830 CA GLY A 51 -7.908 4.668 -3.511 1.00 24.23 C ATOM 831 C GLY A 51 -7.217 5.552 -4.530 1.00 22.10 C ATOM 832 O GLY A 51 -6.025 5.392 -4.795 1.00 11.33 O ATOM 0 H GLY A 51 -6.898 5.770 -2.043 1.00 30.44 H new ATOM 0 HA2 GLY A 51 -7.730 3.622 -3.762 1.00 24.23 H new ATOM 0 HA3 GLY A 51 -8.985 4.830 -3.564 1.00 24.23 H new ATOM 836 N PHE A 52 -7.966 6.486 -5.105 1.00 55.32 N ATOM 837 CA PHE A 52 -7.420 7.398 -6.104 1.00 24.43 C ATOM 838 C PHE A 52 -7.988 8.803 -5.927 1.00 30.41 C ATOM 839 O PHE A 52 -9.204 8.994 -5.897 1.00 62.50 O ATOM 840 CB PHE A 52 -7.724 6.886 -7.513 1.00 61.22 C ATOM 841 CG PHE A 52 -6.949 5.653 -7.884 1.00 12.54 C ATOM 842 CD1 PHE A 52 -5.574 5.609 -7.723 1.00 2.24 C ATOM 843 CD2 PHE A 52 -7.596 4.539 -8.393 1.00 55.55 C ATOM 844 CE1 PHE A 52 -4.858 4.477 -8.062 1.00 61.41 C ATOM 845 CE2 PHE A 52 -6.886 3.404 -8.734 1.00 40.13 C ATOM 846 CZ PHE A 52 -5.515 3.373 -8.570 1.00 21.03 C ATOM 0 H PHE A 52 -8.954 6.632 -4.897 1.00 55.32 H new ATOM 0 HA PHE A 52 -6.340 7.443 -5.967 1.00 24.43 H new ATOM 0 HB2 PHE A 52 -8.790 6.672 -7.591 1.00 61.22 H new ATOM 0 HB3 PHE A 52 -7.503 7.674 -8.233 1.00 61.22 H new ATOM 0 HD1 PHE A 52 -5.055 6.470 -7.328 1.00 2.24 H new ATOM 0 HD2 PHE A 52 -8.668 4.558 -8.525 1.00 55.55 H new ATOM 0 HE1 PHE A 52 -3.786 4.455 -7.930 1.00 61.41 H new ATOM 0 HE2 PHE A 52 -7.403 2.542 -9.129 1.00 40.13 H new ATOM 0 HZ PHE A 52 -4.958 2.488 -8.838 1.00 21.03 H new ATOM 856 N VAL A 53 -7.099 9.784 -5.809 1.00 61.24 N ATOM 857 CA VAL A 53 -7.510 11.172 -5.636 1.00 74.30 C ATOM 858 C VAL A 53 -7.184 12.000 -6.873 1.00 43.42 C ATOM 859 O VAL A 53 -6.116 11.873 -7.472 1.00 63.43 O ATOM 860 CB VAL A 53 -6.831 11.810 -4.410 1.00 65.30 C ATOM 861 CG1 VAL A 53 -5.733 12.768 -4.846 1.00 65.34 C ATOM 862 CG2 VAL A 53 -7.857 12.522 -3.543 1.00 13.04 C ATOM 0 H VAL A 53 -6.089 9.643 -5.830 1.00 61.24 H new ATOM 0 HA VAL A 53 -8.589 11.166 -5.481 1.00 74.30 H new ATOM 0 HB VAL A 53 -6.375 11.018 -3.816 1.00 65.30 H new ATOM 0 HG11 VAL A 53 -5.265 13.209 -3.966 1.00 65.34 H new ATOM 0 HG12 VAL A 53 -4.984 12.225 -5.422 1.00 65.34 H new ATOM 0 HG13 VAL A 53 -6.163 13.557 -5.463 1.00 65.34 H new ATOM 0 HG21 VAL A 53 -7.359 12.967 -2.681 1.00 13.04 H new ATOM 0 HG22 VAL A 53 -8.344 13.305 -4.124 1.00 13.04 H new ATOM 0 HG23 VAL A 53 -8.604 11.806 -3.201 1.00 13.04 H new ATOM 872 N PRO A 54 -8.124 12.872 -7.267 1.00 11.12 N ATOM 873 CA PRO A 54 -7.959 13.741 -8.436 1.00 61.51 C ATOM 874 C PRO A 54 -6.910 14.824 -8.210 1.00 11.11 C ATOM 875 O PRO A 54 -7.047 15.656 -7.314 1.00 0.14 O ATOM 876 CB PRO A 54 -9.345 14.366 -8.612 1.00 2.21 C ATOM 877 CG PRO A 54 -9.956 14.321 -7.254 1.00 3.51 C ATOM 878 CD PRO A 54 -9.421 13.077 -6.600 1.00 40.41 C ATOM 0 HA PRO A 54 -7.612 13.188 -9.309 1.00 61.51 H new ATOM 0 HB2 PRO A 54 -9.274 15.389 -8.980 1.00 2.21 H new ATOM 0 HB3 PRO A 54 -9.942 13.808 -9.333 1.00 2.21 H new ATOM 0 HG2 PRO A 54 -9.693 15.208 -6.678 1.00 3.51 H new ATOM 0 HG3 PRO A 54 -11.044 14.292 -7.316 1.00 3.51 H new ATOM 0 HD2 PRO A 54 -9.304 13.207 -5.524 1.00 40.41 H new ATOM 0 HD3 PRO A 54 -10.087 12.227 -6.747 1.00 40.41 H new ATOM 886 N ALA A 55 -5.863 14.808 -9.029 1.00 14.03 N ATOM 887 CA ALA A 55 -4.793 15.791 -8.919 1.00 43.01 C ATOM 888 C ALA A 55 -5.313 17.201 -9.177 1.00 33.11 C ATOM 889 O ALA A 55 -5.170 18.089 -8.337 1.00 62.11 O ATOM 890 CB ALA A 55 -3.668 15.456 -9.887 1.00 42.44 C ATOM 0 H ALA A 55 -5.734 14.125 -9.776 1.00 14.03 H new ATOM 0 HA ALA A 55 -4.405 15.756 -7.901 1.00 43.01 H new ATOM 0 HB1 ALA A 55 -2.875 16.198 -9.794 1.00 42.44 H new ATOM 0 HB2 ALA A 55 -3.270 14.469 -9.654 1.00 42.44 H new ATOM 0 HB3 ALA A 55 -4.052 15.461 -10.907 1.00 42.44 H new ATOM 896 N ALA A 56 -5.918 17.399 -10.344 1.00 4.42 N ATOM 897 CA ALA A 56 -6.461 18.701 -10.711 1.00 44.22 C ATOM 898 C ALA A 56 -7.308 19.280 -9.584 1.00 15.42 C ATOM 899 O ALA A 56 -7.349 20.495 -9.386 1.00 31.14 O ATOM 900 CB ALA A 56 -7.281 18.590 -11.988 1.00 33.44 C ATOM 0 H ALA A 56 -6.044 16.675 -11.051 1.00 4.42 H new ATOM 0 HA ALA A 56 -5.626 19.379 -10.887 1.00 44.22 H new ATOM 0 HB1 ALA A 56 -7.680 19.570 -12.250 1.00 33.44 H new ATOM 0 HB2 ALA A 56 -6.647 18.228 -12.797 1.00 33.44 H new ATOM 0 HB3 ALA A 56 -8.104 17.892 -11.832 1.00 33.44 H new ATOM 906 N TYR A 57 -7.985 18.405 -8.849 1.00 25.33 N ATOM 907 CA TYR A 57 -8.834 18.830 -7.743 1.00 34.12 C ATOM 908 C TYR A 57 -8.079 18.765 -6.419 1.00 20.21 C ATOM 909 O TYR A 57 -8.632 18.366 -5.394 1.00 11.22 O ATOM 910 CB TYR A 57 -10.088 17.957 -7.671 1.00 33.23 C ATOM 911 CG TYR A 57 -11.046 18.176 -8.820 1.00 41.31 C ATOM 912 CD1 TYR A 57 -11.449 17.118 -9.626 1.00 11.34 C ATOM 913 CD2 TYR A 57 -11.547 19.441 -9.101 1.00 44.42 C ATOM 914 CE1 TYR A 57 -12.323 17.314 -10.677 1.00 53.02 C ATOM 915 CE2 TYR A 57 -12.422 19.646 -10.150 1.00 13.22 C ATOM 916 CZ TYR A 57 -12.807 18.580 -10.935 1.00 35.40 C ATOM 917 OH TYR A 57 -13.678 18.780 -11.981 1.00 75.33 O ATOM 0 H TYR A 57 -7.962 17.396 -8.999 1.00 25.33 H new ATOM 0 HA TYR A 57 -9.128 19.864 -7.922 1.00 34.12 H new ATOM 0 HB2 TYR A 57 -9.790 16.909 -7.652 1.00 33.23 H new ATOM 0 HB3 TYR A 57 -10.607 18.158 -6.733 1.00 33.23 H new ATOM 0 HD1 TYR A 57 -11.072 16.126 -9.427 1.00 11.34 H new ATOM 0 HD2 TYR A 57 -11.247 20.279 -8.489 1.00 44.42 H new ATOM 0 HE1 TYR A 57 -12.626 16.481 -11.294 1.00 53.02 H new ATOM 0 HE2 TYR A 57 -12.802 20.636 -10.354 1.00 13.22 H new ATOM 0 HH TYR A 57 -13.924 19.728 -12.025 1.00 75.33 H new ATOM 927 N VAL A 58 -6.810 19.160 -6.449 1.00 53.50 N ATOM 928 CA VAL A 58 -5.977 19.150 -5.252 1.00 75.43 C ATOM 929 C VAL A 58 -4.962 20.286 -5.279 1.00 43.13 C ATOM 930 O VAL A 58 -4.775 20.943 -6.304 1.00 21.22 O ATOM 931 CB VAL A 58 -5.230 17.811 -5.101 1.00 12.33 C ATOM 932 CG1 VAL A 58 -3.807 17.932 -5.623 1.00 42.20 C ATOM 933 CG2 VAL A 58 -5.237 17.359 -3.648 1.00 53.22 C ATOM 0 H VAL A 58 -6.336 19.491 -7.289 1.00 53.50 H new ATOM 0 HA VAL A 58 -6.644 19.284 -4.400 1.00 75.43 H new ATOM 0 HB VAL A 58 -5.746 17.057 -5.695 1.00 12.33 H new ATOM 0 HG11 VAL A 58 -3.295 16.977 -5.508 1.00 42.20 H new ATOM 0 HG12 VAL A 58 -3.828 18.208 -6.677 1.00 42.20 H new ATOM 0 HG13 VAL A 58 -3.276 18.698 -5.058 1.00 42.20 H new ATOM 0 HG21 VAL A 58 -4.705 16.412 -3.559 1.00 53.22 H new ATOM 0 HG22 VAL A 58 -4.745 18.111 -3.031 1.00 53.22 H new ATOM 0 HG23 VAL A 58 -6.266 17.230 -3.312 1.00 53.22 H new ATOM 943 N LYS A 59 -4.306 20.513 -4.146 1.00 53.40 N ATOM 944 CA LYS A 59 -3.307 21.570 -4.038 1.00 61.42 C ATOM 945 C LYS A 59 -2.285 21.243 -2.954 1.00 64.23 C ATOM 946 O LYS A 59 -2.609 21.221 -1.767 1.00 22.22 O ATOM 947 CB LYS A 59 -3.981 22.909 -3.731 1.00 72.42 C ATOM 948 CG LYS A 59 -3.689 23.987 -4.760 1.00 74.35 C ATOM 949 CD LYS A 59 -2.430 24.763 -4.414 1.00 23.53 C ATOM 950 CE LYS A 59 -2.561 26.232 -4.783 1.00 42.11 C ATOM 951 NZ LYS A 59 -2.659 27.101 -3.577 1.00 62.53 N ATOM 0 H LYS A 59 -4.448 19.979 -3.289 1.00 53.40 H new ATOM 0 HA LYS A 59 -2.787 21.643 -4.993 1.00 61.42 H new ATOM 0 HB2 LYS A 59 -5.059 22.758 -3.671 1.00 72.42 H new ATOM 0 HB3 LYS A 59 -3.652 23.255 -2.751 1.00 72.42 H new ATOM 0 HG2 LYS A 59 -3.577 23.531 -5.744 1.00 74.35 H new ATOM 0 HG3 LYS A 59 -4.535 24.672 -4.820 1.00 74.35 H new ATOM 0 HD2 LYS A 59 -2.227 24.672 -3.347 1.00 23.53 H new ATOM 0 HD3 LYS A 59 -1.579 24.330 -4.939 1.00 23.53 H new ATOM 0 HE2 LYS A 59 -1.700 26.535 -5.380 1.00 42.11 H new ATOM 0 HE3 LYS A 59 -3.445 26.373 -5.405 1.00 42.11 H new ATOM 0 HZ1 LYS A 59 -2.949 28.058 -3.862 1.00 62.53 H new ATOM 0 HZ2 LYS A 59 -3.363 26.707 -2.921 1.00 62.53 H new ATOM 0 HZ3 LYS A 59 -1.733 27.145 -3.105 1.00 62.53 H new ATOM 965 N LYS A 60 -1.048 20.991 -3.370 1.00 72.43 N ATOM 966 CA LYS A 60 0.023 20.668 -2.435 1.00 62.35 C ATOM 967 C LYS A 60 0.336 21.858 -1.534 1.00 62.04 C ATOM 968 O LYS A 60 1.179 22.694 -1.863 1.00 62.22 O ATOM 969 CB LYS A 60 1.282 20.246 -3.197 1.00 21.35 C ATOM 970 CG LYS A 60 2.134 19.235 -2.449 1.00 63.43 C ATOM 971 CD LYS A 60 2.625 19.791 -1.123 1.00 33.51 C ATOM 972 CE LYS A 60 3.522 21.002 -1.324 1.00 51.20 C ATOM 973 NZ LYS A 60 4.877 20.792 -0.743 1.00 71.52 N ATOM 0 H LYS A 60 -0.763 21.004 -4.349 1.00 72.43 H new ATOM 0 HA LYS A 60 -0.311 19.840 -1.810 1.00 62.35 H new ATOM 0 HB2 LYS A 60 0.990 19.823 -4.158 1.00 21.35 H new ATOM 0 HB3 LYS A 60 1.883 21.131 -3.407 1.00 21.35 H new ATOM 0 HG2 LYS A 60 1.554 18.329 -2.272 1.00 63.43 H new ATOM 0 HG3 LYS A 60 2.988 18.952 -3.064 1.00 63.43 H new ATOM 0 HD2 LYS A 60 1.771 20.068 -0.505 1.00 33.51 H new ATOM 0 HD3 LYS A 60 3.172 19.018 -0.583 1.00 33.51 H new ATOM 0 HE2 LYS A 60 3.613 21.214 -2.389 1.00 51.20 H new ATOM 0 HE3 LYS A 60 3.061 21.876 -0.863 1.00 51.20 H new ATOM 0 HZ1 LYS A 60 5.458 21.640 -0.901 1.00 71.52 H new ATOM 0 HZ2 LYS A 60 4.793 20.615 0.278 1.00 71.52 H new ATOM 0 HZ3 LYS A 60 5.328 19.974 -1.200 1.00 71.52 H new ATOM 987 N LEU A 61 -0.346 21.928 -0.397 1.00 11.42 N ATOM 988 CA LEU A 61 -0.140 23.016 0.553 1.00 5.11 C ATOM 989 C LEU A 61 0.577 22.518 1.804 1.00 33.32 C ATOM 990 O LEU A 61 1.767 22.770 1.992 1.00 20.31 O ATOM 991 CB LEU A 61 -1.480 23.647 0.936 1.00 64.32 C ATOM 992 CG LEU A 61 -2.250 24.325 -0.197 1.00 52.03 C ATOM 993 CD1 LEU A 61 -3.717 24.479 0.172 1.00 12.54 C ATOM 994 CD2 LEU A 61 -1.636 25.678 -0.525 1.00 64.00 C ATOM 0 H LEU A 61 -1.047 21.245 -0.110 1.00 11.42 H new ATOM 0 HA LEU A 61 0.485 23.770 0.074 1.00 5.11 H new ATOM 0 HB2 LEU A 61 -2.114 22.872 1.366 1.00 64.32 H new ATOM 0 HB3 LEU A 61 -1.301 24.384 1.719 1.00 64.32 H new ATOM 0 HG LEU A 61 -2.184 23.694 -1.083 1.00 52.03 H new ATOM 0 HD11 LEU A 61 -4.249 24.964 -0.647 1.00 12.54 H new ATOM 0 HD12 LEU A 61 -4.151 23.496 0.356 1.00 12.54 H new ATOM 0 HD13 LEU A 61 -3.804 25.088 1.072 1.00 12.54 H new ATOM 0 HD21 LEU A 61 -2.197 26.146 -1.334 1.00 64.00 H new ATOM 0 HD22 LEU A 61 -1.671 26.317 0.358 1.00 64.00 H new ATOM 0 HD23 LEU A 61 -0.600 25.542 -0.834 1.00 64.00 H new