USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 22 LYS NZ :NH3+ 172:sc= -0.213 (180deg=-0.27) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.448 K(o=-0.66,f=-2.3!) USER MOD Set 2.1: A 53 LYS NZ :NH3+ -141:sc= -0.486 (180deg=-1.81!) USER MOD Set 2.2: A 69 ASN : amide:sc= -0.269 X(o=-0.76,f=-0.89) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.151 USER MOD Single : A 19 GLN : amide:sc= -3.09! C(o=-3.1!,f=-5.3!) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= -0.0982 (180deg=-0.439) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 30:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0124) USER MOD Single : A 44 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.015) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.937 K(o=-0.94,f=-1.5) USER MOD Single : A 68 ASN : amide:sc= -0.0908 K(o=-0.091,f=-1.3) USER MOD Single : A 70 CYS SG : rot 36:sc= -2.13! USER MOD Single : A 76 SER OG : rot 17:sc= -0.124 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 92:sc= 0.558 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= -0.0928 (180deg=-0.508) USER MOD Single : A 87 CYS SG : rot -160:sc= -0.0233 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 122:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 9 -12.197 -0.609 -9.346 1.00 0.00 N ATOM 77 CA ALA A 9 -12.282 -0.525 -7.893 1.00 0.00 C ATOM 78 C ALA A 9 -11.281 0.486 -7.343 1.00 0.00 C ATOM 79 O ALA A 9 -11.590 1.243 -6.422 1.00 0.00 O ATOM 80 CB ALA A 9 -12.048 -1.893 -7.271 1.00 0.00 C ATOM 0 HA ALA A 9 -13.284 -0.185 -7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.114 -1.815 -6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.804 -2.591 -7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.058 -2.255 -7.549 1.00 0.00 H new ATOM 86 N PHE A 10 -10.081 0.494 -7.913 1.00 0.00 N ATOM 87 CA PHE A 10 -9.034 1.411 -7.478 1.00 0.00 C ATOM 88 C PHE A 10 -9.057 2.694 -8.304 1.00 0.00 C ATOM 89 O PHE A 10 -8.806 2.674 -9.509 1.00 0.00 O ATOM 90 CB PHE A 10 -7.662 0.743 -7.591 1.00 0.00 C ATOM 91 CG PHE A 10 -7.340 -0.165 -6.439 1.00 0.00 C ATOM 92 CD1 PHE A 10 -6.958 0.358 -5.214 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.421 -1.540 -6.580 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.661 -0.476 -4.152 1.00 0.00 C ATOM 95 CE2 PHE A 10 -7.126 -2.379 -5.522 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.746 -1.846 -4.306 1.00 0.00 C ATOM 0 H PHE A 10 -9.809 -0.124 -8.677 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.221 1.668 -6.435 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.621 0.170 -8.517 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.896 1.515 -7.660 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.892 1.428 -5.087 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.718 -1.962 -7.529 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.363 -0.056 -3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.193 -3.450 -5.646 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.516 -2.499 -3.477 1.00 0.00 H new ATOM 106 N ALA A 11 -9.362 3.808 -7.647 1.00 0.00 N ATOM 107 CA ALA A 11 -9.417 5.101 -8.319 1.00 0.00 C ATOM 108 C ALA A 11 -8.020 5.584 -8.694 1.00 0.00 C ATOM 109 O ALA A 11 -7.844 6.303 -9.679 1.00 0.00 O ATOM 110 CB ALA A 11 -10.113 6.126 -7.436 1.00 0.00 C ATOM 0 H ALA A 11 -9.575 3.841 -6.650 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.991 4.981 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.147 7.086 -7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.129 5.793 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.563 6.234 -6.501 1.00 0.00 H new ATOM 116 N LYS A 12 -7.029 5.187 -7.904 1.00 0.00 N ATOM 117 CA LYS A 12 -5.647 5.579 -8.152 1.00 0.00 C ATOM 118 C LYS A 12 -4.680 4.507 -7.660 1.00 0.00 C ATOM 119 O LYS A 12 -4.526 4.303 -6.456 1.00 0.00 O ATOM 120 CB LYS A 12 -5.341 6.911 -7.464 1.00 0.00 C ATOM 121 CG LYS A 12 -3.893 7.348 -7.600 1.00 0.00 C ATOM 122 CD LYS A 12 -3.631 7.997 -8.949 1.00 0.00 C ATOM 123 CE LYS A 12 -2.141 8.111 -9.232 1.00 0.00 C ATOM 124 NZ LYS A 12 -1.498 9.167 -8.401 1.00 0.00 N ATOM 0 H LYS A 12 -7.157 4.593 -7.085 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.517 5.695 -9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.986 7.683 -7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.589 6.829 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.648 8.050 -6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.238 6.485 -7.477 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.108 7.411 -9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.084 8.988 -8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.660 7.152 -9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.988 8.336 -10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.483 9.214 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.940 10.086 -8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.622 8.939 -7.394 1.00 0.00 H new ATOM 138 N ILE A 13 -4.031 3.826 -8.599 1.00 0.00 N ATOM 139 CA ILE A 13 -3.078 2.777 -8.259 1.00 0.00 C ATOM 140 C ILE A 13 -1.750 3.369 -7.800 1.00 0.00 C ATOM 141 O ILE A 13 -1.468 4.545 -8.032 1.00 0.00 O ATOM 142 CB ILE A 13 -2.823 1.839 -9.454 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.282 2.632 -10.646 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.101 1.107 -9.834 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.773 2.725 -10.674 1.00 0.00 C ATOM 0 H ILE A 13 -4.148 3.982 -9.600 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.518 2.203 -7.444 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.076 1.100 -9.164 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.626 2.166 -11.569 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.700 3.639 -10.622 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.905 0.448 -10.680 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.448 0.516 -8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.867 1.832 -10.109 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.460 3.300 -11.545 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.422 3.219 -9.768 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.348 1.723 -10.729 1.00 0.00 H new ATOM 157 N LEU A 14 -0.935 2.546 -7.148 1.00 0.00 N ATOM 158 CA LEU A 14 0.366 2.987 -6.657 1.00 0.00 C ATOM 159 C LEU A 14 1.332 3.223 -7.813 1.00 0.00 C ATOM 160 O LEU A 14 1.212 2.608 -8.872 1.00 0.00 O ATOM 161 CB LEU A 14 0.948 1.950 -5.695 1.00 0.00 C ATOM 162 CG LEU A 14 0.035 1.511 -4.549 1.00 0.00 C ATOM 163 CD1 LEU A 14 0.340 0.077 -4.143 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.185 2.448 -3.359 1.00 0.00 C ATOM 0 H LEU A 14 -1.152 1.570 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 14 0.227 3.929 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.227 1.067 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.865 2.355 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.998 1.557 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.319 -0.218 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.181 -0.584 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.377 0.004 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.472 2.121 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.219 2.434 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.084 3.461 -3.657 1.00 0.00 H new ATOM 176 N ASP A 15 2.292 4.118 -7.601 1.00 0.00 N ATOM 177 CA ASP A 15 3.282 4.433 -8.624 1.00 0.00 C ATOM 178 C ASP A 15 3.975 3.168 -9.119 1.00 0.00 C ATOM 179 O ASP A 15 4.039 2.154 -8.423 1.00 0.00 O ATOM 180 CB ASP A 15 4.318 5.416 -8.076 1.00 0.00 C ATOM 181 CG ASP A 15 3.894 6.861 -8.252 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.678 7.135 -8.182 1.00 0.00 O ATOM 183 OD2 ASP A 15 4.779 7.718 -8.459 1.00 0.00 O ATOM 0 H ASP A 15 2.405 4.637 -6.730 1.00 0.00 H new ATOM 0 HA ASP A 15 2.764 4.894 -9.465 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.481 5.215 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.270 5.255 -8.582 1.00 0.00 H new ATOM 188 N PRO A 16 4.507 3.225 -10.349 1.00 0.00 N ATOM 189 CA PRO A 16 5.204 2.092 -10.964 1.00 0.00 C ATOM 190 C PRO A 16 6.543 1.802 -10.293 1.00 0.00 C ATOM 191 O PRO A 16 7.147 0.755 -10.520 1.00 0.00 O ATOM 192 CB PRO A 16 5.418 2.550 -12.409 1.00 0.00 C ATOM 193 CG PRO A 16 5.420 4.038 -12.339 1.00 0.00 C ATOM 194 CD PRO A 16 4.468 4.402 -11.234 1.00 0.00 C ATOM 0 HA PRO A 16 4.635 1.166 -10.875 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.359 2.171 -12.809 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.624 2.186 -13.061 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.421 4.418 -12.133 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.103 4.474 -13.287 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.783 5.307 -10.714 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.463 4.586 -11.614 1.00 0.00 H new ATOM 202 N ALA A 17 7.000 2.737 -9.466 1.00 0.00 N ATOM 203 CA ALA A 17 8.265 2.580 -8.761 1.00 0.00 C ATOM 204 C ALA A 17 8.483 3.713 -7.764 1.00 0.00 C ATOM 205 O ALA A 17 8.317 4.887 -8.098 1.00 0.00 O ATOM 206 CB ALA A 17 9.418 2.518 -9.752 1.00 0.00 C ATOM 0 H ALA A 17 6.512 3.611 -9.268 1.00 0.00 H new ATOM 0 HA ALA A 17 8.228 1.644 -8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.357 2.401 -9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.277 1.670 -10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.447 3.439 -10.334 1.00 0.00 H new ATOM 212 N TYR A 18 8.854 3.355 -6.540 1.00 0.00 N ATOM 213 CA TYR A 18 9.091 4.343 -5.493 1.00 0.00 C ATOM 214 C TYR A 18 10.580 4.467 -5.188 1.00 0.00 C ATOM 215 O TYR A 18 11.381 3.628 -5.602 1.00 0.00 O ATOM 216 CB TYR A 18 8.328 3.963 -4.223 1.00 0.00 C ATOM 217 CG TYR A 18 6.837 4.195 -4.319 1.00 0.00 C ATOM 218 CD1 TYR A 18 6.047 3.422 -5.162 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.218 5.185 -3.567 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.685 3.631 -5.253 1.00 0.00 C ATOM 221 CE2 TYR A 18 4.856 5.400 -3.651 1.00 0.00 C ATOM 222 CZ TYR A 18 4.094 4.621 -4.496 1.00 0.00 C ATOM 223 OH TYR A 18 2.737 4.831 -4.583 1.00 0.00 O ATOM 0 H TYR A 18 8.997 2.388 -6.248 1.00 0.00 H new ATOM 0 HA TYR A 18 8.731 5.308 -5.850 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.510 2.911 -4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.723 4.538 -3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.506 2.645 -5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.812 5.798 -2.905 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.086 3.022 -5.914 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.391 6.174 -3.058 1.00 0.00 H new ATOM 0 HH TYR A 18 2.480 5.564 -3.985 1.00 0.00 H new ATOM 233 N GLN A 19 10.943 5.519 -4.462 1.00 0.00 N ATOM 234 CA GLN A 19 12.336 5.753 -4.101 1.00 0.00 C ATOM 235 C GLN A 19 12.437 6.491 -2.770 1.00 0.00 C ATOM 236 O GLN A 19 11.831 7.547 -2.587 1.00 0.00 O ATOM 237 CB GLN A 19 13.041 6.554 -5.197 1.00 0.00 C ATOM 238 CG GLN A 19 13.005 5.882 -6.560 1.00 0.00 C ATOM 239 CD GLN A 19 11.704 6.127 -7.297 1.00 0.00 C ATOM 240 OE1 GLN A 19 10.907 6.982 -6.907 1.00 0.00 O ATOM 241 NE2 GLN A 19 11.480 5.376 -8.369 1.00 0.00 N ATOM 0 H GLN A 19 10.292 6.222 -4.112 1.00 0.00 H new ATOM 0 HA GLN A 19 12.826 4.785 -3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.576 7.537 -5.273 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.080 6.714 -4.907 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.835 6.249 -7.164 1.00 0.00 H new ATOM 0 HG3 GLN A 19 13.151 4.809 -6.436 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.168 4.680 -8.656 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.620 5.496 -8.905 1.00 0.00 H new ATOM 250 N VAL A 20 13.207 5.929 -1.843 1.00 0.00 N ATOM 251 CA VAL A 20 13.387 6.534 -0.529 1.00 0.00 C ATOM 252 C VAL A 20 14.808 6.323 -0.018 1.00 0.00 C ATOM 253 O VAL A 20 15.544 5.480 -0.531 1.00 0.00 O ATOM 254 CB VAL A 20 12.393 5.958 0.496 1.00 0.00 C ATOM 255 CG1 VAL A 20 12.815 4.561 0.923 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.275 6.880 1.700 1.00 0.00 C ATOM 0 H VAL A 20 13.716 5.055 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 20 13.200 7.602 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 20 11.413 5.887 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.100 4.171 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.842 3.907 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.805 4.603 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.568 6.457 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.251 6.986 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.921 7.859 1.376 1.00 0.00 H new ATOM 266 N ASP A 21 15.186 7.092 0.997 1.00 0.00 N ATOM 267 CA ASP A 21 16.518 6.988 1.580 1.00 0.00 C ATOM 268 C ASP A 21 16.589 5.831 2.571 1.00 0.00 C ATOM 269 O ASP A 21 15.573 5.414 3.129 1.00 0.00 O ATOM 270 CB ASP A 21 16.897 8.296 2.277 1.00 0.00 C ATOM 271 CG ASP A 21 15.910 8.681 3.361 1.00 0.00 C ATOM 272 OD1 ASP A 21 16.018 8.140 4.481 1.00 0.00 O ATOM 273 OD2 ASP A 21 15.028 9.524 3.090 1.00 0.00 O ATOM 0 H ASP A 21 14.589 7.794 1.433 1.00 0.00 H new ATOM 0 HA ASP A 21 17.226 6.796 0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.891 8.197 2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.951 9.096 1.538 1.00 0.00 H new ATOM 278 N LYS A 22 17.794 5.315 2.786 1.00 0.00 N ATOM 279 CA LYS A 22 17.999 4.205 3.709 1.00 0.00 C ATOM 280 C LYS A 22 17.409 4.523 5.080 1.00 0.00 C ATOM 281 O LYS A 22 17.216 5.686 5.429 1.00 0.00 O ATOM 282 CB LYS A 22 19.491 3.895 3.844 1.00 0.00 C ATOM 283 CG LYS A 22 19.785 2.677 4.703 1.00 0.00 C ATOM 284 CD LYS A 22 21.273 2.528 4.970 1.00 0.00 C ATOM 285 CE LYS A 22 21.700 3.313 6.201 1.00 0.00 C ATOM 286 NZ LYS A 22 21.181 2.701 7.455 1.00 0.00 N ATOM 0 H LYS A 22 18.645 5.648 2.333 1.00 0.00 H new ATOM 0 HA LYS A 22 17.488 3.331 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.912 3.739 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 22 19.996 4.761 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.251 2.761 5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.412 1.782 4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.515 1.474 5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.836 2.874 4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 22 22.788 3.360 6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 22 21.340 4.339 6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 21.602 3.181 8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 20.146 2.801 7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 21.432 1.692 7.479 1.00 0.00 H new ATOM 300 N GLY A 23 17.127 3.479 5.854 1.00 0.00 N ATOM 301 CA GLY A 23 16.564 3.668 7.178 1.00 0.00 C ATOM 302 C GLY A 23 15.599 4.836 7.237 1.00 0.00 C ATOM 303 O GLY A 23 15.463 5.487 8.272 1.00 0.00 O ATOM 0 H GLY A 23 17.278 2.506 5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.047 2.758 7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.371 3.831 7.893 1.00 0.00 H new ATOM 307 N GLY A 24 14.928 5.104 6.120 1.00 0.00 N ATOM 308 CA GLY A 24 13.981 6.202 6.070 1.00 0.00 C ATOM 309 C GLY A 24 12.544 5.735 6.188 1.00 0.00 C ATOM 310 O GLY A 24 12.258 4.756 6.877 1.00 0.00 O ATOM 0 H GLY A 24 15.024 4.580 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.199 6.903 6.876 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.108 6.744 5.133 1.00 0.00 H new ATOM 314 N ARG A 25 11.638 6.438 5.516 1.00 0.00 N ATOM 315 CA ARG A 25 10.223 6.091 5.551 1.00 0.00 C ATOM 316 C ARG A 25 9.556 6.392 4.212 1.00 0.00 C ATOM 317 O ARG A 25 9.656 7.504 3.692 1.00 0.00 O ATOM 318 CB ARG A 25 9.515 6.858 6.669 1.00 0.00 C ATOM 319 CG ARG A 25 8.162 6.277 7.045 1.00 0.00 C ATOM 320 CD ARG A 25 7.391 7.211 7.965 1.00 0.00 C ATOM 321 NE ARG A 25 6.731 8.284 7.228 1.00 0.00 N ATOM 322 CZ ARG A 25 6.031 9.252 7.808 1.00 0.00 C ATOM 323 NH1 ARG A 25 5.901 9.281 9.128 1.00 0.00 N ATOM 324 NH2 ARG A 25 5.459 10.194 7.069 1.00 0.00 N ATOM 0 H ARG A 25 11.859 7.251 4.941 1.00 0.00 H new ATOM 0 HA ARG A 25 10.142 5.022 5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.154 6.869 7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.382 7.895 6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.580 6.092 6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.302 5.314 7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.646 6.640 8.519 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.073 7.641 8.699 1.00 0.00 H new ATOM 0 HE ARG A 25 6.812 8.291 6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.339 8.559 9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.363 10.026 9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.557 10.175 6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.922 10.937 7.516 1.00 0.00 H new ATOM 338 N VAL A 26 8.875 5.394 3.658 1.00 0.00 N ATOM 339 CA VAL A 26 8.191 5.551 2.380 1.00 0.00 C ATOM 340 C VAL A 26 6.735 5.957 2.582 1.00 0.00 C ATOM 341 O VAL A 26 6.201 5.861 3.687 1.00 0.00 O ATOM 342 CB VAL A 26 8.240 4.253 1.553 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.677 3.901 1.197 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.575 3.114 2.310 1.00 0.00 C ATOM 0 H VAL A 26 8.782 4.468 4.075 1.00 0.00 H new ATOM 0 HA VAL A 26 8.713 6.339 1.837 1.00 0.00 H new ATOM 0 HB VAL A 26 7.690 4.412 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.692 2.981 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.115 4.710 0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.254 3.760 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.619 2.204 1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.095 2.952 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.534 3.368 2.508 1.00 0.00 H new ATOM 354 N ARG A 27 6.098 6.410 1.507 1.00 0.00 N ATOM 355 CA ARG A 27 4.704 6.832 1.567 1.00 0.00 C ATOM 356 C ARG A 27 3.884 6.155 0.472 1.00 0.00 C ATOM 357 O ARG A 27 4.091 6.403 -0.716 1.00 0.00 O ATOM 358 CB ARG A 27 4.602 8.352 1.429 1.00 0.00 C ATOM 359 CG ARG A 27 3.201 8.892 1.662 1.00 0.00 C ATOM 360 CD ARG A 27 3.178 10.412 1.637 1.00 0.00 C ATOM 361 NE ARG A 27 3.200 10.938 0.274 1.00 0.00 N ATOM 362 CZ ARG A 27 3.302 12.230 -0.013 1.00 0.00 C ATOM 363 NH1 ARG A 27 3.392 13.125 0.961 1.00 0.00 N ATOM 364 NH2 ARG A 27 3.315 12.631 -1.278 1.00 0.00 N ATOM 0 H ARG A 27 6.525 6.494 0.585 1.00 0.00 H new ATOM 0 HA ARG A 27 4.302 6.535 2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.285 8.819 2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.932 8.641 0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.529 8.504 0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.828 8.537 2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.285 10.769 2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.036 10.797 2.188 1.00 0.00 H new ATOM 0 HE ARG A 27 3.133 10.276 -0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.383 12.822 1.935 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.470 14.117 0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.247 11.946 -2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.393 13.624 -1.497 1.00 0.00 H new ATOM 378 N PHE A 28 2.954 5.299 0.880 1.00 0.00 N ATOM 379 CA PHE A 28 2.104 4.585 -0.065 1.00 0.00 C ATOM 380 C PHE A 28 0.641 4.978 0.114 1.00 0.00 C ATOM 381 O PHE A 28 0.012 4.634 1.115 1.00 0.00 O ATOM 382 CB PHE A 28 2.264 3.073 0.113 1.00 0.00 C ATOM 383 CG PHE A 28 3.610 2.559 -0.310 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.089 2.801 -1.587 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.395 1.831 0.570 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.328 2.329 -1.979 1.00 0.00 C ATOM 387 CE2 PHE A 28 5.635 1.357 0.184 1.00 0.00 C ATOM 388 CZ PHE A 28 6.101 1.605 -1.093 1.00 0.00 C ATOM 0 H PHE A 28 2.770 5.083 1.860 1.00 0.00 H new ATOM 0 HA PHE A 28 2.414 4.860 -1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.100 2.819 1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.492 2.564 -0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.488 3.365 -2.285 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.034 1.632 1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.691 2.526 -2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.239 0.793 0.880 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.068 1.233 -1.398 1.00 0.00 H new ATOM 398 N VAL A 29 0.104 5.701 -0.863 1.00 0.00 N ATOM 399 CA VAL A 29 -1.285 6.142 -0.815 1.00 0.00 C ATOM 400 C VAL A 29 -2.094 5.533 -1.954 1.00 0.00 C ATOM 401 O VAL A 29 -1.598 5.379 -3.070 1.00 0.00 O ATOM 402 CB VAL A 29 -1.390 7.677 -0.887 1.00 0.00 C ATOM 403 CG1 VAL A 29 -2.841 8.118 -0.775 1.00 0.00 C ATOM 404 CG2 VAL A 29 -0.542 8.320 0.199 1.00 0.00 C ATOM 0 H VAL A 29 0.610 5.994 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.692 5.803 0.137 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.010 8.006 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.896 9.205 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.417 7.685 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.252 7.780 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.628 9.405 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.890 7.987 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.500 8.030 0.066 1.00 0.00 H new ATOM 414 N VAL A 30 -3.345 5.188 -1.666 1.00 0.00 N ATOM 415 CA VAL A 30 -4.226 4.598 -2.667 1.00 0.00 C ATOM 416 C VAL A 30 -5.663 5.070 -2.482 1.00 0.00 C ATOM 417 O VAL A 30 -6.136 5.223 -1.356 1.00 0.00 O ATOM 418 CB VAL A 30 -4.191 3.059 -2.607 1.00 0.00 C ATOM 419 CG1 VAL A 30 -2.827 2.539 -3.036 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.541 2.572 -1.209 1.00 0.00 C ATOM 0 H VAL A 30 -3.771 5.307 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.862 4.925 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.937 2.669 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.821 1.450 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.621 2.858 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.060 2.936 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.511 1.483 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.821 2.970 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.542 2.914 -0.945 1.00 0.00 H new ATOM 430 N GLU A 31 -6.354 5.298 -3.594 1.00 0.00 N ATOM 431 CA GLU A 31 -7.738 5.753 -3.554 1.00 0.00 C ATOM 432 C GLU A 31 -8.693 4.625 -3.932 1.00 0.00 C ATOM 433 O GLU A 31 -8.348 3.740 -4.717 1.00 0.00 O ATOM 434 CB GLU A 31 -7.936 6.941 -4.498 1.00 0.00 C ATOM 435 CG GLU A 31 -7.685 8.289 -3.841 1.00 0.00 C ATOM 436 CD GLU A 31 -6.217 8.530 -3.547 1.00 0.00 C ATOM 437 OE1 GLU A 31 -5.618 7.716 -2.813 1.00 0.00 O ATOM 438 OE2 GLU A 31 -5.668 9.532 -4.049 1.00 0.00 O ATOM 0 H GLU A 31 -5.978 5.175 -4.534 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.960 6.068 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.267 6.832 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.954 6.920 -4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.056 9.081 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.252 8.348 -2.912 1.00 0.00 H new ATOM 445 N LEU A 32 -9.896 4.662 -3.369 1.00 0.00 N ATOM 446 CA LEU A 32 -10.902 3.643 -3.646 1.00 0.00 C ATOM 447 C LEU A 32 -12.188 4.275 -4.171 1.00 0.00 C ATOM 448 O LEU A 32 -12.692 5.243 -3.602 1.00 0.00 O ATOM 449 CB LEU A 32 -11.198 2.833 -2.383 1.00 0.00 C ATOM 450 CG LEU A 32 -9.979 2.309 -1.622 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.306 2.134 -0.147 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.500 0.996 -2.223 1.00 0.00 C ATOM 0 H LEU A 32 -10.198 5.387 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.506 2.977 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.785 3.454 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.823 1.983 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.176 3.041 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.427 1.761 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.602 3.094 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.124 1.422 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.632 0.638 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.299 0.256 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.226 1.152 -3.266 1.00 0.00 H new ATOM 464 N ALA A 33 -12.714 3.719 -5.257 1.00 0.00 N ATOM 465 CA ALA A 33 -13.943 4.226 -5.856 1.00 0.00 C ATOM 466 C ALA A 33 -15.068 4.289 -4.829 1.00 0.00 C ATOM 467 O ALA A 33 -15.953 5.141 -4.915 1.00 0.00 O ATOM 468 CB ALA A 33 -14.351 3.358 -7.037 1.00 0.00 C ATOM 0 H ALA A 33 -12.309 2.917 -5.740 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.754 5.239 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.270 3.748 -7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.560 3.368 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.516 2.336 -6.697 1.00 0.00 H new ATOM 474 N ASP A 34 -15.029 3.383 -3.859 1.00 0.00 N ATOM 475 CA ASP A 34 -16.046 3.336 -2.814 1.00 0.00 C ATOM 476 C ASP A 34 -15.472 2.762 -1.523 1.00 0.00 C ATOM 477 O ASP A 34 -14.641 1.854 -1.533 1.00 0.00 O ATOM 478 CB ASP A 34 -17.240 2.498 -3.273 1.00 0.00 C ATOM 479 CG ASP A 34 -18.243 3.308 -4.071 1.00 0.00 C ATOM 480 OD1 ASP A 34 -17.943 3.641 -5.236 1.00 0.00 O ATOM 481 OD2 ASP A 34 -19.328 3.609 -3.529 1.00 0.00 O ATOM 0 H ASP A 34 -14.304 2.671 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.380 4.355 -2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.884 1.666 -3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.735 2.068 -2.402 1.00 0.00 H new ATOM 486 N PRO A 35 -15.924 3.303 -0.382 1.00 0.00 N ATOM 487 CA PRO A 35 -15.469 2.861 0.939 1.00 0.00 C ATOM 488 C PRO A 35 -15.972 1.464 1.288 1.00 0.00 C ATOM 489 O PRO A 35 -15.399 0.781 2.137 1.00 0.00 O ATOM 490 CB PRO A 35 -16.072 3.899 1.889 1.00 0.00 C ATOM 491 CG PRO A 35 -17.266 4.423 1.168 1.00 0.00 C ATOM 492 CD PRO A 35 -16.915 4.389 -0.294 1.00 0.00 C ATOM 0 HA PRO A 35 -14.382 2.794 0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.351 3.449 2.842 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.361 4.695 2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.145 3.812 1.373 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.502 5.438 1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.789 4.186 -0.913 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.500 5.339 -0.630 1.00 0.00 H new ATOM 500 N LYS A 36 -17.046 1.045 0.628 1.00 0.00 N ATOM 501 CA LYS A 36 -17.626 -0.271 0.866 1.00 0.00 C ATOM 502 C LYS A 36 -16.573 -1.364 0.721 1.00 0.00 C ATOM 503 O LYS A 36 -16.541 -2.317 1.501 1.00 0.00 O ATOM 504 CB LYS A 36 -18.779 -0.526 -0.107 1.00 0.00 C ATOM 505 CG LYS A 36 -19.964 0.402 0.097 1.00 0.00 C ATOM 506 CD LYS A 36 -20.791 -0.006 1.304 1.00 0.00 C ATOM 507 CE LYS A 36 -21.803 1.067 1.675 1.00 0.00 C ATOM 508 NZ LYS A 36 -21.140 2.332 2.098 1.00 0.00 N ATOM 0 H LYS A 36 -17.533 1.599 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 36 -18.008 -0.293 1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.413 -0.415 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.113 -1.558 0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.608 1.424 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.591 0.394 -0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -21.311 -0.940 1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.132 -0.194 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -22.452 1.265 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -22.439 0.703 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -21.802 2.898 2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.299 2.109 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -20.855 2.873 1.257 1.00 0.00 H new ATOM 522 N LEU A 37 -15.711 -1.220 -0.280 1.00 0.00 N ATOM 523 CA LEU A 37 -14.654 -2.195 -0.526 1.00 0.00 C ATOM 524 C LEU A 37 -13.621 -2.173 0.595 1.00 0.00 C ATOM 525 O LEU A 37 -13.512 -1.193 1.332 1.00 0.00 O ATOM 526 CB LEU A 37 -13.975 -1.912 -1.867 1.00 0.00 C ATOM 527 CG LEU A 37 -14.901 -1.805 -3.080 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.114 -1.414 -4.320 1.00 0.00 C ATOM 529 CD2 LEU A 37 -15.638 -3.118 -3.306 1.00 0.00 C ATOM 0 H LEU A 37 -15.723 -0.438 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.107 -3.186 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.416 -0.980 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.249 -2.703 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.638 -1.027 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.790 -1.343 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.633 -0.450 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.354 -2.169 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.292 -3.024 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.916 -3.915 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.235 -3.357 -2.426 1.00 0.00 H new ATOM 541 N GLU A 38 -12.863 -3.258 0.716 1.00 0.00 N ATOM 542 CA GLU A 38 -11.837 -3.361 1.747 1.00 0.00 C ATOM 543 C GLU A 38 -10.442 -3.366 1.128 1.00 0.00 C ATOM 544 O GLU A 38 -10.238 -3.894 0.034 1.00 0.00 O ATOM 545 CB GLU A 38 -12.042 -4.630 2.577 1.00 0.00 C ATOM 546 CG GLU A 38 -11.476 -4.535 3.984 1.00 0.00 C ATOM 547 CD GLU A 38 -12.149 -3.458 4.813 1.00 0.00 C ATOM 548 OE1 GLU A 38 -13.272 -3.703 5.303 1.00 0.00 O ATOM 549 OE2 GLU A 38 -11.554 -2.372 4.971 1.00 0.00 O ATOM 0 H GLU A 38 -12.940 -4.077 0.113 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.924 -2.491 2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.109 -4.846 2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.575 -5.470 2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.591 -5.497 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.407 -4.330 3.928 1.00 0.00 H new ATOM 556 N VAL A 39 -9.485 -2.775 1.835 1.00 0.00 N ATOM 557 CA VAL A 39 -8.109 -2.711 1.357 1.00 0.00 C ATOM 558 C VAL A 39 -7.206 -3.648 2.151 1.00 0.00 C ATOM 559 O VAL A 39 -7.391 -3.834 3.354 1.00 0.00 O ATOM 560 CB VAL A 39 -7.549 -1.279 1.447 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.347 -0.337 0.558 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.553 -0.796 2.889 1.00 0.00 C ATOM 0 H VAL A 39 -9.637 -2.333 2.742 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.123 -3.023 0.313 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.518 -1.287 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.937 0.670 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.288 -0.675 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.389 -0.330 0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.154 0.217 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.574 -0.802 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.934 -1.457 3.496 1.00 0.00 H new ATOM 572 N LYS A 40 -6.229 -4.237 1.471 1.00 0.00 N ATOM 573 CA LYS A 40 -5.295 -5.155 2.112 1.00 0.00 C ATOM 574 C LYS A 40 -3.893 -4.997 1.533 1.00 0.00 C ATOM 575 O LYS A 40 -3.700 -5.070 0.320 1.00 0.00 O ATOM 576 CB LYS A 40 -5.769 -6.600 1.940 1.00 0.00 C ATOM 577 CG LYS A 40 -6.873 -6.997 2.904 1.00 0.00 C ATOM 578 CD LYS A 40 -7.741 -8.105 2.333 1.00 0.00 C ATOM 579 CE LYS A 40 -8.733 -7.566 1.313 1.00 0.00 C ATOM 580 NZ LYS A 40 -9.356 -8.658 0.515 1.00 0.00 N ATOM 0 H LYS A 40 -6.063 -4.095 0.475 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.260 -4.914 3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.123 -6.738 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.921 -7.270 2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.434 -7.327 3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.492 -6.128 3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.109 -8.859 1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.280 -8.599 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.512 -7.002 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.225 -6.872 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.025 -8.250 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.616 -9.181 0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.863 -9.307 1.151 1.00 0.00 H new ATOM 594 N TRP A 41 -2.918 -4.781 2.409 1.00 0.00 N ATOM 595 CA TRP A 41 -1.532 -4.614 1.984 1.00 0.00 C ATOM 596 C TRP A 41 -0.747 -5.908 2.165 1.00 0.00 C ATOM 597 O TRP A 41 -0.898 -6.601 3.172 1.00 0.00 O ATOM 598 CB TRP A 41 -0.868 -3.485 2.773 1.00 0.00 C ATOM 599 CG TRP A 41 -1.531 -2.155 2.580 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.756 -1.774 3.049 1.00 0.00 C ATOM 601 CD2 TRP A 41 -1.005 -1.031 1.865 1.00 0.00 C ATOM 602 NE1 TRP A 41 -3.024 -0.481 2.668 1.00 0.00 N ATOM 603 CE2 TRP A 41 -1.965 -0.003 1.942 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.183 -0.792 1.170 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.772 1.242 1.348 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.373 0.443 0.581 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.599 1.448 0.674 1.00 0.00 C ATOM 0 H TRP A 41 -3.061 -4.717 3.417 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.531 -4.357 0.925 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.879 -3.738 3.833 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.177 -3.409 2.474 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.417 -2.397 3.633 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.873 0.038 2.890 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.939 -1.559 1.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.521 2.017 1.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.287 0.637 0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.419 2.404 0.205 1.00 0.00 H new ATOM 618 N TYR A 42 0.091 -6.229 1.186 1.00 0.00 N ATOM 619 CA TYR A 42 0.898 -7.442 1.237 1.00 0.00 C ATOM 620 C TYR A 42 2.323 -7.169 0.765 1.00 0.00 C ATOM 621 O TYR A 42 2.548 -6.348 -0.125 1.00 0.00 O ATOM 622 CB TYR A 42 0.265 -8.537 0.377 1.00 0.00 C ATOM 623 CG TYR A 42 -1.107 -8.961 0.850 1.00 0.00 C ATOM 624 CD1 TYR A 42 -1.256 -9.933 1.831 1.00 0.00 C ATOM 625 CD2 TYR A 42 -2.255 -8.390 0.314 1.00 0.00 C ATOM 626 CE1 TYR A 42 -2.508 -10.323 2.266 1.00 0.00 C ATOM 627 CE2 TYR A 42 -3.511 -8.773 0.744 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.632 -9.740 1.719 1.00 0.00 C ATOM 629 OH TYR A 42 -4.881 -10.126 2.149 1.00 0.00 O ATOM 0 H TYR A 42 0.229 -5.666 0.347 1.00 0.00 H new ATOM 0 HA TYR A 42 0.936 -7.779 2.273 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.192 -8.183 -0.651 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.922 -9.407 0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.378 -10.392 2.261 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.164 -7.634 -0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.606 -11.080 3.030 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.393 -8.317 0.319 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.831 -10.410 3.086 1.00 0.00 H new ATOM 639 N LYS A 43 3.282 -7.863 1.367 1.00 0.00 N ATOM 640 CA LYS A 43 4.686 -7.699 1.009 1.00 0.00 C ATOM 641 C LYS A 43 5.327 -9.046 0.692 1.00 0.00 C ATOM 642 O LYS A 43 5.627 -9.829 1.592 1.00 0.00 O ATOM 643 CB LYS A 43 5.447 -7.015 2.147 1.00 0.00 C ATOM 644 CG LYS A 43 6.954 -7.010 1.954 1.00 0.00 C ATOM 645 CD LYS A 43 7.684 -6.789 3.268 1.00 0.00 C ATOM 646 CE LYS A 43 9.104 -7.330 3.214 1.00 0.00 C ATOM 647 NZ LYS A 43 9.139 -8.812 3.349 1.00 0.00 N ATOM 0 H LYS A 43 3.113 -8.545 2.106 1.00 0.00 H new ATOM 0 HA LYS A 43 4.738 -7.073 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.098 -5.987 2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.211 -7.518 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.269 -7.958 1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.229 -6.226 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.708 -5.724 3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.138 -7.277 4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.567 -7.040 2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.695 -6.879 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.125 -9.129 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.602 -9.097 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.715 -9.248 2.505 1.00 0.00 H new ATOM 661 N ASN A 44 5.537 -9.309 -0.595 1.00 0.00 N ATOM 662 CA ASN A 44 6.144 -10.561 -1.030 1.00 0.00 C ATOM 663 C ASN A 44 5.245 -11.747 -0.694 1.00 0.00 C ATOM 664 O ASN A 44 5.715 -12.781 -0.221 1.00 0.00 O ATOM 665 CB ASN A 44 7.514 -10.743 -0.374 1.00 0.00 C ATOM 666 CG ASN A 44 8.448 -11.594 -1.213 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.643 -12.778 -0.936 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.030 -10.993 -2.244 1.00 0.00 N ATOM 0 H ASN A 44 5.296 -8.671 -1.354 1.00 0.00 H new ATOM 0 HA ASN A 44 6.270 -10.518 -2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.967 -9.766 -0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.387 -11.205 0.605 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.668 -11.515 -2.844 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.839 -10.010 -2.436 1.00 0.00 H new ATOM 675 N GLY A 45 3.948 -11.589 -0.942 1.00 0.00 N ATOM 676 CA GLY A 45 3.004 -12.655 -0.660 1.00 0.00 C ATOM 677 C GLY A 45 2.832 -12.899 0.827 1.00 0.00 C ATOM 678 O GLY A 45 2.659 -14.038 1.259 1.00 0.00 O ATOM 0 H GLY A 45 3.535 -10.742 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.038 -12.406 -1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.344 -13.573 -1.139 1.00 0.00 H new ATOM 682 N GLN A 46 2.881 -11.826 1.610 1.00 0.00 N ATOM 683 CA GLN A 46 2.731 -11.930 3.057 1.00 0.00 C ATOM 684 C GLN A 46 1.926 -10.757 3.606 1.00 0.00 C ATOM 685 O GLN A 46 2.313 -9.599 3.447 1.00 0.00 O ATOM 686 CB GLN A 46 4.103 -11.983 3.730 1.00 0.00 C ATOM 687 CG GLN A 46 4.873 -13.262 3.443 1.00 0.00 C ATOM 688 CD GLN A 46 6.268 -13.249 4.037 1.00 0.00 C ATOM 689 OE1 GLN A 46 6.831 -12.188 4.307 1.00 0.00 O ATOM 690 NE2 GLN A 46 6.834 -14.432 4.243 1.00 0.00 N ATOM 0 H GLN A 46 3.023 -10.876 1.267 1.00 0.00 H new ATOM 0 HA GLN A 46 2.191 -12.851 3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.695 -11.130 3.397 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.974 -11.881 4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.320 -14.112 3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.943 -13.406 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.331 -15.287 4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.772 -14.486 4.640 1.00 0.00 H new ATOM 699 N GLU A 47 0.807 -11.064 4.253 1.00 0.00 N ATOM 700 CA GLU A 47 -0.052 -10.034 4.825 1.00 0.00 C ATOM 701 C GLU A 47 0.722 -9.167 5.814 1.00 0.00 C ATOM 702 O GLU A 47 1.404 -9.679 6.702 1.00 0.00 O ATOM 703 CB GLU A 47 -1.256 -10.672 5.523 1.00 0.00 C ATOM 704 CG GLU A 47 -2.346 -9.677 5.886 1.00 0.00 C ATOM 705 CD GLU A 47 -3.451 -10.300 6.716 1.00 0.00 C ATOM 706 OE1 GLU A 47 -3.194 -11.339 7.360 1.00 0.00 O ATOM 707 OE2 GLU A 47 -4.572 -9.750 6.722 1.00 0.00 O ATOM 0 H GLU A 47 0.474 -12.018 4.394 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.406 -9.400 4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.678 -11.439 4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.916 -11.173 6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.906 -8.847 6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.773 -9.262 4.973 1.00 0.00 H new ATOM 714 N ILE A 48 0.612 -7.853 5.652 1.00 0.00 N ATOM 715 CA ILE A 48 1.301 -6.915 6.530 1.00 0.00 C ATOM 716 C ILE A 48 0.434 -6.548 7.730 1.00 0.00 C ATOM 717 O ILE A 48 -0.763 -6.297 7.590 1.00 0.00 O ATOM 718 CB ILE A 48 1.694 -5.628 5.781 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.646 -5.953 4.629 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.332 -4.633 6.739 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.709 -4.871 3.574 1.00 0.00 C ATOM 0 H ILE A 48 0.052 -7.414 4.921 1.00 0.00 H new ATOM 0 HA ILE A 48 2.206 -7.413 6.878 1.00 0.00 H new ATOM 0 HB ILE A 48 0.793 -5.177 5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.646 -6.117 5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.333 -6.887 4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.605 -3.728 6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.623 -4.382 7.529 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.226 -5.074 7.180 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.403 -5.169 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.718 -4.722 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.052 -3.941 4.027 1.00 0.00 H new ATOM 733 N ARG A 49 1.048 -6.516 8.908 1.00 0.00 N ATOM 734 CA ARG A 49 0.333 -6.178 10.133 1.00 0.00 C ATOM 735 C ARG A 49 0.645 -4.749 10.568 1.00 0.00 C ATOM 736 O ARG A 49 1.766 -4.262 10.426 1.00 0.00 O ATOM 737 CB ARG A 49 0.702 -7.155 11.251 1.00 0.00 C ATOM 738 CG ARG A 49 0.424 -8.609 10.906 1.00 0.00 C ATOM 739 CD ARG A 49 0.415 -9.485 12.149 1.00 0.00 C ATOM 740 NE ARG A 49 -0.265 -10.757 11.918 1.00 0.00 N ATOM 741 CZ ARG A 49 -0.596 -11.600 12.889 1.00 0.00 C ATOM 742 NH1 ARG A 49 -0.311 -11.309 14.150 1.00 0.00 N ATOM 743 NH2 ARG A 49 -1.213 -12.739 12.599 1.00 0.00 N ATOM 0 H ARG A 49 2.039 -6.720 9.040 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.736 -6.253 9.932 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.760 -7.042 11.486 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.146 -6.891 12.151 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.537 -8.686 10.398 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.182 -8.970 10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.440 -9.675 12.466 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.077 -8.954 12.963 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.498 -11.012 10.958 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.164 -10.435 14.377 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.567 -11.959 14.894 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.433 -12.967 11.630 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.467 -13.386 13.346 1.00 0.00 H new ATOM 757 N PRO A 50 -0.370 -4.061 11.111 1.00 0.00 N ATOM 758 CA PRO A 50 -0.229 -2.678 11.578 1.00 0.00 C ATOM 759 C PRO A 50 0.639 -2.574 12.827 1.00 0.00 C ATOM 760 O PRO A 50 0.282 -3.090 13.887 1.00 0.00 O ATOM 761 CB PRO A 50 -1.668 -2.260 11.890 1.00 0.00 C ATOM 762 CG PRO A 50 -2.378 -3.537 12.183 1.00 0.00 C ATOM 763 CD PRO A 50 -1.734 -4.579 11.311 1.00 0.00 C ATOM 0 HA PRO A 50 0.262 -2.046 10.838 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.707 -1.581 12.742 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.121 -1.740 11.046 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.288 -3.800 13.237 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.443 -3.450 11.966 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.726 -5.557 11.793 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.263 -4.694 10.365 1.00 0.00 H new ATOM 771 N SER A 51 1.779 -1.904 12.697 1.00 0.00 N ATOM 772 CA SER A 51 2.699 -1.735 13.815 1.00 0.00 C ATOM 773 C SER A 51 3.525 -0.463 13.652 1.00 0.00 C ATOM 774 O SER A 51 3.528 0.158 12.588 1.00 0.00 O ATOM 775 CB SER A 51 3.626 -2.947 13.928 1.00 0.00 C ATOM 776 OG SER A 51 4.178 -3.048 15.229 1.00 0.00 O ATOM 0 H SER A 51 2.088 -1.469 11.828 1.00 0.00 H new ATOM 0 HA SER A 51 2.110 -1.650 14.728 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.072 -3.856 13.693 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.428 -2.865 13.195 1.00 0.00 H new ATOM 0 HG SER A 51 4.765 -3.831 15.275 1.00 0.00 H new ATOM 782 N THR A 52 4.226 -0.079 14.714 1.00 0.00 N ATOM 783 CA THR A 52 5.055 1.119 14.691 1.00 0.00 C ATOM 784 C THR A 52 5.724 1.299 13.333 1.00 0.00 C ATOM 785 O THR A 52 5.826 2.414 12.823 1.00 0.00 O ATOM 786 CB THR A 52 6.141 1.072 15.783 1.00 0.00 C ATOM 787 OG1 THR A 52 6.877 -0.153 15.689 1.00 0.00 O ATOM 788 CG2 THR A 52 5.522 1.193 17.167 1.00 0.00 C ATOM 0 H THR A 52 4.236 -0.581 15.602 1.00 0.00 H new ATOM 0 HA THR A 52 4.394 1.964 14.882 1.00 0.00 H new ATOM 0 HB THR A 52 6.816 1.914 15.630 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.566 -0.175 16.385 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.308 1.157 17.921 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.987 2.139 17.245 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.827 0.369 17.328 1.00 0.00 H new ATOM 796 N LYS A 53 6.177 0.194 12.751 1.00 0.00 N ATOM 797 CA LYS A 53 6.835 0.228 11.450 1.00 0.00 C ATOM 798 C LYS A 53 5.835 0.548 10.344 1.00 0.00 C ATOM 799 O LYS A 53 6.113 1.356 9.457 1.00 0.00 O ATOM 800 CB LYS A 53 7.516 -1.112 11.165 1.00 0.00 C ATOM 801 CG LYS A 53 8.488 -1.063 9.999 1.00 0.00 C ATOM 802 CD LYS A 53 8.845 -2.458 9.512 1.00 0.00 C ATOM 803 CE LYS A 53 9.806 -2.408 8.334 1.00 0.00 C ATOM 804 NZ LYS A 53 11.219 -2.251 8.778 1.00 0.00 N ATOM 0 H LYS A 53 6.100 -0.737 13.160 1.00 0.00 H new ATOM 0 HA LYS A 53 7.590 1.014 11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.049 -1.437 12.059 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.752 -1.862 10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.048 -0.492 9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.395 -0.539 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.296 -3.025 10.327 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.937 -2.986 9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.709 -3.321 7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.536 -1.579 7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.716 -1.606 8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.239 -1.859 9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.690 -3.178 8.772 1.00 0.00 H new ATOM 818 N TYR A 54 4.671 -0.089 10.402 1.00 0.00 N ATOM 819 CA TYR A 54 3.630 0.127 9.404 1.00 0.00 C ATOM 820 C TYR A 54 2.549 1.062 9.939 1.00 0.00 C ATOM 821 O TYR A 54 1.833 0.725 10.883 1.00 0.00 O ATOM 822 CB TYR A 54 3.007 -1.207 8.989 1.00 0.00 C ATOM 823 CG TYR A 54 3.972 -2.131 8.281 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.396 -1.865 6.985 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.460 -3.271 8.909 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.277 -2.707 6.334 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.342 -4.118 8.266 1.00 0.00 C ATOM 828 CZ TYR A 54 5.747 -3.832 6.979 1.00 0.00 C ATOM 829 OH TYR A 54 6.625 -4.673 6.335 1.00 0.00 O ATOM 0 H TYR A 54 4.424 -0.760 11.130 1.00 0.00 H new ATOM 0 HA TYR A 54 4.089 0.592 8.532 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.620 -1.709 9.876 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.156 -1.014 8.336 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.031 -0.985 6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.144 -3.498 9.916 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.596 -2.486 5.326 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.712 -4.999 8.768 1.00 0.00 H new ATOM 0 HH TYR A 54 6.860 -5.417 6.928 1.00 0.00 H new ATOM 839 N ILE A 55 2.436 2.236 9.327 1.00 0.00 N ATOM 840 CA ILE A 55 1.441 3.218 9.739 1.00 0.00 C ATOM 841 C ILE A 55 0.238 3.209 8.802 1.00 0.00 C ATOM 842 O ILE A 55 0.310 3.702 7.676 1.00 0.00 O ATOM 843 CB ILE A 55 2.036 4.639 9.778 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.463 4.603 10.329 1.00 0.00 C ATOM 845 CG2 ILE A 55 1.161 5.556 10.619 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.526 4.453 11.833 1.00 0.00 C ATOM 0 H ILE A 55 3.021 2.530 8.545 1.00 0.00 H new ATOM 0 HA ILE A 55 1.119 2.939 10.742 1.00 0.00 H new ATOM 0 HB ILE A 55 2.069 5.031 8.762 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.002 3.776 9.867 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.978 5.519 10.041 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.594 6.556 10.637 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.161 5.601 10.187 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.100 5.169 11.636 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.568 4.435 12.154 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.016 5.293 12.304 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.040 3.523 12.127 1.00 0.00 H new ATOM 858 N PHE A 56 -0.869 2.646 9.275 1.00 0.00 N ATOM 859 CA PHE A 56 -2.089 2.573 8.480 1.00 0.00 C ATOM 860 C PHE A 56 -2.999 3.763 8.769 1.00 0.00 C ATOM 861 O PHE A 56 -3.508 3.913 9.880 1.00 0.00 O ATOM 862 CB PHE A 56 -2.833 1.267 8.768 1.00 0.00 C ATOM 863 CG PHE A 56 -2.187 0.060 8.150 1.00 0.00 C ATOM 864 CD1 PHE A 56 -1.070 -0.518 8.731 1.00 0.00 C ATOM 865 CD2 PHE A 56 -2.696 -0.495 6.987 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.473 -1.629 8.165 1.00 0.00 C ATOM 867 CE2 PHE A 56 -2.103 -1.606 6.416 1.00 0.00 C ATOM 868 CZ PHE A 56 -0.990 -2.173 7.005 1.00 0.00 C ATOM 0 H PHE A 56 -0.946 2.234 10.205 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.809 2.600 7.427 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.895 1.124 9.847 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.855 1.351 8.399 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.661 -0.096 9.637 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.565 -0.055 6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.396 -2.071 8.629 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.510 -2.030 5.510 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.525 -3.040 6.560 1.00 0.00 H new ATOM 878 N GLU A 57 -3.197 4.607 7.762 1.00 0.00 N ATOM 879 CA GLU A 57 -4.044 5.785 7.908 1.00 0.00 C ATOM 880 C GLU A 57 -5.248 5.709 6.974 1.00 0.00 C ATOM 881 O GLU A 57 -5.099 5.568 5.760 1.00 0.00 O ATOM 882 CB GLU A 57 -3.242 7.056 7.622 1.00 0.00 C ATOM 883 CG GLU A 57 -2.179 7.354 8.666 1.00 0.00 C ATOM 884 CD GLU A 57 -1.440 8.649 8.393 1.00 0.00 C ATOM 885 OE1 GLU A 57 -2.056 9.578 7.831 1.00 0.00 O ATOM 886 OE2 GLU A 57 -0.244 8.734 8.743 1.00 0.00 O ATOM 0 H GLU A 57 -2.783 4.497 6.836 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.405 5.816 8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.765 6.962 6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.927 7.902 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.646 7.407 9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.464 6.532 8.696 1.00 0.00 H new ATOM 940 N CYS A 61 -12.038 7.980 1.518 1.00 0.00 N ATOM 941 CA CYS A 61 -11.823 6.988 0.470 1.00 0.00 C ATOM 942 C CYS A 61 -10.351 6.926 0.075 1.00 0.00 C ATOM 943 O CYS A 61 -10.020 6.827 -1.107 1.00 0.00 O ATOM 944 CB CYS A 61 -12.679 7.316 -0.754 1.00 0.00 C ATOM 945 SG CYS A 61 -14.430 7.572 -0.382 1.00 0.00 S ATOM 0 HA CYS A 61 -12.117 6.013 0.859 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.285 8.214 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.587 6.505 -1.477 1.00 0.00 H new ATOM 0 HG CYS A 61 -15.071 7.846 -1.479 1.00 0.00 H new ATOM 951 N GLN A 62 -9.473 6.986 1.070 1.00 0.00 N ATOM 952 CA GLN A 62 -8.036 6.939 0.825 1.00 0.00 C ATOM 953 C GLN A 62 -7.326 6.130 1.905 1.00 0.00 C ATOM 954 O GLN A 62 -7.657 6.228 3.087 1.00 0.00 O ATOM 955 CB GLN A 62 -7.460 8.355 0.770 1.00 0.00 C ATOM 956 CG GLN A 62 -5.955 8.392 0.563 1.00 0.00 C ATOM 957 CD GLN A 62 -5.390 9.797 0.628 1.00 0.00 C ATOM 958 OE1 GLN A 62 -4.893 10.325 -0.367 1.00 0.00 O ATOM 959 NE2 GLN A 62 -5.466 10.412 1.803 1.00 0.00 N ATOM 0 H GLN A 62 -9.731 7.067 2.054 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.872 6.450 -0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.943 8.904 -0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.704 8.874 1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.473 7.775 1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.715 7.953 -0.405 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.886 9.936 2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.104 11.360 1.907 1.00 0.00 H new ATOM 968 N ARG A 63 -6.349 5.330 1.492 1.00 0.00 N ATOM 969 CA ARG A 63 -5.593 4.502 2.424 1.00 0.00 C ATOM 970 C ARG A 63 -4.093 4.732 2.262 1.00 0.00 C ATOM 971 O ARG A 63 -3.513 4.402 1.226 1.00 0.00 O ATOM 972 CB ARG A 63 -5.920 3.024 2.207 1.00 0.00 C ATOM 973 CG ARG A 63 -7.370 2.672 2.495 1.00 0.00 C ATOM 974 CD ARG A 63 -7.722 2.914 3.955 1.00 0.00 C ATOM 975 NE ARG A 63 -8.952 2.228 4.342 1.00 0.00 N ATOM 976 CZ ARG A 63 -10.164 2.631 3.978 1.00 0.00 C ATOM 977 NH1 ARG A 63 -10.308 3.711 3.222 1.00 0.00 N ATOM 978 NH2 ARG A 63 -11.235 1.954 4.371 1.00 0.00 N ATOM 0 H ARG A 63 -6.062 5.237 0.518 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.879 4.785 3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.688 2.757 1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.275 2.420 2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.024 3.268 1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.548 1.626 2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.902 2.573 4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.834 3.984 4.128 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.876 1.394 4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.487 4.234 2.919 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.240 4.018 2.944 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.128 1.123 4.953 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.165 2.264 4.091 1.00 0.00 H new ATOM 992 N ILE A 64 -3.472 5.298 3.290 1.00 0.00 N ATOM 993 CA ILE A 64 -2.040 5.571 3.262 1.00 0.00 C ATOM 994 C ILE A 64 -1.271 4.559 4.104 1.00 0.00 C ATOM 995 O ILE A 64 -1.783 4.047 5.100 1.00 0.00 O ATOM 996 CB ILE A 64 -1.727 6.990 3.772 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.762 7.986 3.243 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.324 7.405 3.356 1.00 0.00 C ATOM 999 CD1 ILE A 64 -3.977 8.125 4.133 1.00 0.00 C ATOM 0 H ILE A 64 -3.938 5.577 4.154 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.724 5.490 2.222 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.776 6.988 4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.290 8.962 3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.083 7.671 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.118 8.410 3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.401 6.709 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.249 7.394 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.667 8.847 3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.473 7.159 4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.668 8.470 5.120 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.038 4.276 3.699 1.00 0.00 N ATOM 1012 CA LEU A 65 0.805 3.326 4.417 1.00 0.00 C ATOM 1013 C LEU A 65 2.250 3.812 4.470 1.00 0.00 C ATOM 1014 O LEU A 65 2.839 4.155 3.445 1.00 0.00 O ATOM 1015 CB LEU A 65 0.741 1.952 3.749 1.00 0.00 C ATOM 1016 CG LEU A 65 1.574 0.848 4.403 1.00 0.00 C ATOM 1017 CD1 LEU A 65 3.057 1.175 4.314 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.155 0.653 5.853 1.00 0.00 C ATOM 0 H LEU A 65 0.401 4.691 2.877 1.00 0.00 H new ATOM 0 HA LEU A 65 0.431 3.245 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.300 1.629 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.064 2.058 2.713 1.00 0.00 H new ATOM 0 HG LEU A 65 1.395 -0.083 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.634 0.379 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.348 1.264 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.253 2.117 4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.758 -0.136 6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.304 1.582 6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.102 0.373 5.893 1.00 0.00 H new ATOM 1030 N PHE A 66 2.816 3.836 5.672 1.00 0.00 N ATOM 1031 CA PHE A 66 4.193 4.279 5.860 1.00 0.00 C ATOM 1032 C PHE A 66 5.048 3.161 6.450 1.00 0.00 C ATOM 1033 O PHE A 66 4.642 2.491 7.400 1.00 0.00 O ATOM 1034 CB PHE A 66 4.237 5.506 6.773 1.00 0.00 C ATOM 1035 CG PHE A 66 3.590 6.722 6.174 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.321 7.594 5.384 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.250 6.993 6.401 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.728 8.714 4.832 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.652 8.111 5.852 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.392 8.972 5.066 1.00 0.00 C ATOM 0 H PHE A 66 2.343 3.554 6.530 1.00 0.00 H new ATOM 0 HA PHE A 66 4.598 4.547 4.884 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.741 5.267 7.714 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.276 5.736 7.009 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.366 7.397 5.197 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.666 6.322 7.014 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.309 9.386 4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.607 8.311 6.037 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.926 9.846 4.635 1.00 0.00 H new ATOM 1050 N ILE A 67 6.231 2.965 5.879 1.00 0.00 N ATOM 1051 CA ILE A 67 7.144 1.930 6.348 1.00 0.00 C ATOM 1052 C ILE A 67 8.465 2.531 6.815 1.00 0.00 C ATOM 1053 O ILE A 67 9.266 2.998 6.006 1.00 0.00 O ATOM 1054 CB ILE A 67 7.426 0.889 5.249 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.113 0.344 4.682 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.282 -0.243 5.799 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.298 -0.520 3.454 1.00 0.00 C ATOM 0 H ILE A 67 6.580 3.510 5.090 1.00 0.00 H new ATOM 0 HA ILE A 67 6.656 1.436 7.189 1.00 0.00 H new ATOM 0 HB ILE A 67 7.974 1.375 4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.607 -0.238 5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.459 1.180 4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.473 -0.971 5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.229 0.159 6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.758 -0.729 6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.326 -0.871 3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.775 0.064 2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.926 -1.376 3.702 1.00 0.00 H new ATOM 1069 N ASN A 68 8.686 2.515 8.125 1.00 0.00 N ATOM 1070 CA ASN A 68 9.911 3.058 8.700 1.00 0.00 C ATOM 1071 C ASN A 68 11.031 2.022 8.671 1.00 0.00 C ATOM 1072 O ASN A 68 10.779 0.823 8.563 1.00 0.00 O ATOM 1073 CB ASN A 68 9.664 3.518 10.138 1.00 0.00 C ATOM 1074 CG ASN A 68 8.898 4.825 10.204 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.455 5.896 9.962 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.614 4.742 10.532 1.00 0.00 N ATOM 0 H ASN A 68 8.033 2.132 8.808 1.00 0.00 H new ATOM 0 HA ASN A 68 10.216 3.915 8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.109 2.747 10.673 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.620 3.634 10.649 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.047 5.588 10.592 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.194 3.832 10.724 1.00 0.00 H new ATOM 1083 N ASN A 69 12.270 2.495 8.769 1.00 0.00 N ATOM 1084 CA ASN A 69 13.429 1.610 8.754 1.00 0.00 C ATOM 1085 C ASN A 69 13.626 0.995 7.371 1.00 0.00 C ATOM 1086 O ASN A 69 13.939 -0.190 7.247 1.00 0.00 O ATOM 1087 CB ASN A 69 13.266 0.503 9.798 1.00 0.00 C ATOM 1088 CG ASN A 69 12.743 1.030 11.121 1.00 0.00 C ATOM 1089 OD1 ASN A 69 13.197 2.062 11.614 1.00 0.00 O ATOM 1090 ND2 ASN A 69 11.782 0.320 11.701 1.00 0.00 N ATOM 0 H ASN A 69 12.497 3.485 8.860 1.00 0.00 H new ATOM 0 HA ASN A 69 14.310 2.203 8.998 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.583 -0.255 9.416 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.227 0.014 9.959 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.390 0.625 12.592 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.436 -0.530 11.255 1.00 0.00 H new ATOM 1097 N CYS A 70 13.441 1.807 6.337 1.00 0.00 N ATOM 1098 CA CYS A 70 13.598 1.343 4.963 1.00 0.00 C ATOM 1099 C CYS A 70 15.055 1.006 4.666 1.00 0.00 C ATOM 1100 O CYS A 70 15.876 1.897 4.448 1.00 0.00 O ATOM 1101 CB CYS A 70 13.097 2.406 3.983 1.00 0.00 C ATOM 1102 SG CYS A 70 11.326 2.748 4.107 1.00 0.00 S ATOM 0 H CYS A 70 13.182 2.790 6.423 1.00 0.00 H new ATOM 0 HA CYS A 70 13.003 0.438 4.841 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.648 3.331 4.154 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.324 2.084 2.967 1.00 0.00 H new ATOM 0 HG CYS A 70 10.955 2.671 5.351 1.00 0.00 H new ATOM 1108 N GLN A 71 15.370 -0.285 4.660 1.00 0.00 N ATOM 1109 CA GLN A 71 16.729 -0.739 4.393 1.00 0.00 C ATOM 1110 C GLN A 71 16.816 -1.428 3.035 1.00 0.00 C ATOM 1111 O GLN A 71 15.824 -1.956 2.532 1.00 0.00 O ATOM 1112 CB GLN A 71 17.197 -1.693 5.493 1.00 0.00 C ATOM 1113 CG GLN A 71 18.650 -2.116 5.354 1.00 0.00 C ATOM 1114 CD GLN A 71 19.606 -0.940 5.385 1.00 0.00 C ATOM 1115 OE1 GLN A 71 20.465 -0.799 4.514 1.00 0.00 O ATOM 1116 NE2 GLN A 71 19.463 -0.087 6.393 1.00 0.00 N ATOM 0 H GLN A 71 14.702 -1.035 4.837 1.00 0.00 H new ATOM 0 HA GLN A 71 17.380 0.135 4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.058 -1.213 6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.566 -2.582 5.484 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.902 -2.806 6.160 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.778 -2.659 4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.738 -0.242 7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.079 0.723 6.467 1.00 0.00 H new ATOM 1168 N ASP A 75 13.646 -3.465 0.789 1.00 0.00 N ATOM 1169 CA ASP A 75 13.141 -3.287 -0.567 1.00 0.00 C ATOM 1170 C ASP A 75 12.452 -4.555 -1.062 1.00 0.00 C ATOM 1171 O ASP A 75 13.110 -5.513 -1.467 1.00 0.00 O ATOM 1172 CB ASP A 75 14.281 -2.909 -1.514 1.00 0.00 C ATOM 1173 CG ASP A 75 14.031 -3.373 -2.935 1.00 0.00 C ATOM 1174 OD1 ASP A 75 12.850 -3.462 -3.332 1.00 0.00 O ATOM 1175 OD2 ASP A 75 15.017 -3.649 -3.652 1.00 0.00 O ATOM 0 HA ASP A 75 12.409 -2.480 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.412 -1.827 -1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.211 -3.346 -1.151 1.00 0.00 H new ATOM 1180 N SER A 76 11.123 -4.555 -1.023 1.00 0.00 N ATOM 1181 CA SER A 76 10.345 -5.707 -1.463 1.00 0.00 C ATOM 1182 C SER A 76 9.154 -5.268 -2.309 1.00 0.00 C ATOM 1183 O SER A 76 8.846 -4.080 -2.395 1.00 0.00 O ATOM 1184 CB SER A 76 9.859 -6.511 -0.255 1.00 0.00 C ATOM 1185 OG SER A 76 10.882 -7.357 0.240 1.00 0.00 O ATOM 0 H SER A 76 10.563 -3.770 -0.691 1.00 0.00 H new ATOM 0 HA SER A 76 10.990 -6.338 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.533 -5.830 0.532 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.993 -7.109 -0.537 1.00 0.00 H new ATOM 0 HG SER A 76 11.749 -7.061 -0.108 1.00 0.00 H new ATOM 1191 N GLU A 77 8.489 -6.236 -2.931 1.00 0.00 N ATOM 1192 CA GLU A 77 7.332 -5.950 -3.771 1.00 0.00 C ATOM 1193 C GLU A 77 6.075 -5.771 -2.924 1.00 0.00 C ATOM 1194 O GLU A 77 5.850 -6.510 -1.965 1.00 0.00 O ATOM 1195 CB GLU A 77 7.121 -7.074 -4.787 1.00 0.00 C ATOM 1196 CG GLU A 77 6.436 -8.299 -4.205 1.00 0.00 C ATOM 1197 CD GLU A 77 6.846 -9.582 -4.901 1.00 0.00 C ATOM 1198 OE1 GLU A 77 6.882 -9.593 -6.150 1.00 0.00 O ATOM 1199 OE2 GLU A 77 7.129 -10.575 -4.199 1.00 0.00 O ATOM 0 H GLU A 77 8.731 -7.225 -2.869 1.00 0.00 H new ATOM 0 HA GLU A 77 7.524 -5.019 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.525 -6.695 -5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.087 -7.368 -5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.674 -8.374 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.356 -8.177 -4.282 1.00 0.00 H new ATOM 1206 N TYR A 78 5.260 -4.787 -3.285 1.00 0.00 N ATOM 1207 CA TYR A 78 4.028 -4.509 -2.558 1.00 0.00 C ATOM 1208 C TYR A 78 2.828 -4.502 -3.501 1.00 0.00 C ATOM 1209 O TYR A 78 2.909 -4.000 -4.622 1.00 0.00 O ATOM 1210 CB TYR A 78 4.130 -3.165 -1.835 1.00 0.00 C ATOM 1211 CG TYR A 78 5.290 -3.084 -0.868 1.00 0.00 C ATOM 1212 CD1 TYR A 78 6.556 -2.711 -1.303 1.00 0.00 C ATOM 1213 CD2 TYR A 78 5.121 -3.380 0.478 1.00 0.00 C ATOM 1214 CE1 TYR A 78 7.620 -2.637 -0.424 1.00 0.00 C ATOM 1215 CE2 TYR A 78 6.178 -3.306 1.365 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.425 -2.934 0.909 1.00 0.00 C ATOM 1217 OH TYR A 78 8.481 -2.861 1.788 1.00 0.00 O ATOM 0 H TYR A 78 5.431 -4.168 -4.078 1.00 0.00 H new ATOM 0 HA TYR A 78 3.884 -5.300 -1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.228 -2.371 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.202 -2.982 -1.293 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.711 -2.475 -2.345 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.146 -3.673 0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.598 -2.348 -0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.028 -3.538 2.409 1.00 0.00 H new ATOM 0 HH TYR A 78 8.175 -3.100 2.688 1.00 0.00 H new ATOM 1227 N TYR A 79 1.717 -5.061 -3.037 1.00 0.00 N ATOM 1228 CA TYR A 79 0.500 -5.122 -3.837 1.00 0.00 C ATOM 1229 C TYR A 79 -0.740 -5.039 -2.952 1.00 0.00 C ATOM 1230 O TYR A 79 -0.898 -5.816 -2.010 1.00 0.00 O ATOM 1231 CB TYR A 79 0.469 -6.412 -4.659 1.00 0.00 C ATOM 1232 CG TYR A 79 0.131 -7.640 -3.844 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.129 -8.388 -3.233 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -1.186 -8.052 -3.686 1.00 0.00 C ATOM 1235 CE1 TYR A 79 0.825 -9.512 -2.489 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -1.500 -9.173 -2.942 1.00 0.00 C ATOM 1237 CZ TYR A 79 -0.491 -9.900 -2.346 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.798 -11.018 -1.604 1.00 0.00 O ATOM 0 H TYR A 79 1.634 -5.479 -2.110 1.00 0.00 H new ATOM 0 HA TYR A 79 0.498 -4.268 -4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.262 -6.305 -5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.441 -6.556 -5.131 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.160 -8.086 -3.341 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.979 -7.486 -4.153 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.613 -10.084 -2.022 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.530 -9.478 -2.828 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.977 -10.756 -0.677 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.619 -4.091 -3.262 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.846 -3.907 -2.497 1.00 0.00 C ATOM 1250 C VAL A 80 -4.060 -4.397 -3.279 1.00 0.00 C ATOM 1251 O VAL A 80 -4.135 -4.235 -4.498 1.00 0.00 O ATOM 1252 CB VAL A 80 -3.055 -2.428 -2.119 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.176 -1.570 -3.369 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.283 -2.273 -1.235 1.00 0.00 C ATOM 0 H VAL A 80 -1.504 -3.439 -4.038 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.743 -4.496 -1.586 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.185 -2.088 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.323 -0.529 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.265 -1.658 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.027 -1.907 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.416 -1.222 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.163 -2.630 -1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.151 -2.856 -0.324 1.00 0.00 H new ATOM 1264 N THR A 81 -5.011 -4.997 -2.570 1.00 0.00 N ATOM 1265 CA THR A 81 -6.222 -5.512 -3.197 1.00 0.00 C ATOM 1266 C THR A 81 -7.457 -4.773 -2.695 1.00 0.00 C ATOM 1267 O THR A 81 -7.546 -4.421 -1.519 1.00 0.00 O ATOM 1268 CB THR A 81 -6.395 -7.019 -2.930 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.488 -7.260 -1.522 1.00 0.00 O ATOM 1270 CG2 THR A 81 -5.232 -7.808 -3.510 1.00 0.00 C ATOM 0 H THR A 81 -4.966 -5.138 -1.561 1.00 0.00 H new ATOM 0 HA THR A 81 -6.116 -5.351 -4.270 1.00 0.00 H new ATOM 0 HB THR A 81 -7.314 -7.348 -3.415 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.600 -8.220 -1.361 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.376 -8.870 -3.309 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.183 -7.646 -4.587 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.301 -7.475 -3.051 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.408 -4.542 -3.594 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.640 -3.847 -3.241 1.00 0.00 C ATOM 1280 C ALA A 82 -10.787 -4.265 -4.155 1.00 0.00 C ATOM 1281 O ALA A 82 -10.790 -3.954 -5.345 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.434 -2.341 -3.305 1.00 0.00 C ATOM 0 H ALA A 82 -8.349 -4.826 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.904 -4.123 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.362 -1.835 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.650 -2.051 -2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.142 -2.056 -4.316 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.761 -4.972 -3.590 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.900 -5.422 -4.369 1.00 0.00 C ATOM 1290 C GLY A 83 -12.537 -6.526 -5.342 1.00 0.00 C ATOM 1291 O GLY A 83 -12.151 -7.621 -4.933 1.00 0.00 O ATOM 0 H GLY A 83 -11.782 -5.241 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.679 -5.778 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.316 -4.578 -4.920 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.662 -6.239 -6.633 1.00 0.00 N ATOM 1296 CA ASP A 84 -12.345 -7.217 -7.667 1.00 0.00 C ATOM 1297 C ASP A 84 -11.151 -6.759 -8.500 1.00 0.00 C ATOM 1298 O ASP A 84 -11.022 -7.123 -9.668 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.557 -7.444 -8.572 1.00 0.00 C ATOM 1300 CG ASP A 84 -14.823 -7.722 -7.786 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -15.024 -8.885 -7.378 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -15.612 -6.777 -7.579 1.00 0.00 O ATOM 0 H ASP A 84 -12.980 -5.337 -6.988 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.085 -8.156 -7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.708 -6.565 -9.199 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.356 -8.282 -9.240 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.283 -5.958 -7.890 1.00 0.00 N ATOM 1308 CA GLU A 85 -9.101 -5.449 -8.577 1.00 0.00 C ATOM 1309 C GLU A 85 -7.921 -5.337 -7.617 1.00 0.00 C ATOM 1310 O GLU A 85 -8.093 -5.349 -6.398 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.396 -4.084 -9.202 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.422 -4.136 -10.322 1.00 0.00 C ATOM 1313 CD GLU A 85 -10.407 -2.890 -11.185 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -9.909 -1.847 -10.711 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.894 -2.957 -12.333 1.00 0.00 O ATOM 0 H GLU A 85 -10.376 -5.648 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.839 -6.153 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.753 -3.408 -8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.468 -3.663 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.229 -5.008 -10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.416 -4.265 -9.893 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.720 -5.229 -8.175 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.509 -5.114 -7.372 1.00 0.00 C ATOM 1324 C LYS A 86 -4.338 -4.625 -8.218 1.00 0.00 C ATOM 1325 O LYS A 86 -4.304 -4.840 -9.430 1.00 0.00 O ATOM 1326 CB LYS A 86 -5.164 -6.462 -6.736 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.498 -7.434 -7.695 1.00 0.00 C ATOM 1328 CD LYS A 86 -3.821 -8.574 -6.952 1.00 0.00 C ATOM 1329 CE LYS A 86 -2.790 -9.273 -7.825 1.00 0.00 C ATOM 1330 NZ LYS A 86 -1.650 -8.375 -8.163 1.00 0.00 N ATOM 0 H LYS A 86 -6.560 -5.219 -9.182 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.695 -4.384 -6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.504 -6.294 -5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.076 -6.915 -6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.243 -7.837 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.762 -6.904 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.338 -8.189 -6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.572 -9.294 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.416 -10.157 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.265 -9.618 -8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.812 -8.948 -8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.901 -7.791 -8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.441 -7.759 -7.352 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.381 -3.968 -7.573 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.208 -3.449 -8.267 1.00 0.00 C ATOM 1346 C CYS A 87 -0.927 -3.836 -7.534 1.00 0.00 C ATOM 1347 O CYS A 87 -0.972 -4.401 -6.442 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.297 -1.928 -8.395 1.00 0.00 C ATOM 1349 SG CYS A 87 -2.209 -1.047 -6.818 1.00 0.00 S ATOM 0 H CYS A 87 -3.394 -3.782 -6.570 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.182 -3.889 -9.264 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.489 -1.581 -9.038 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.233 -1.670 -8.891 1.00 0.00 H new ATOM 0 HG CYS A 87 -2.701 0.148 -6.960 1.00 0.00 H new ATOM 1355 N SER A 88 0.213 -3.528 -8.144 1.00 0.00 N ATOM 1356 CA SER A 88 1.507 -3.848 -7.552 1.00 0.00 C ATOM 1357 C SER A 88 2.528 -2.755 -7.853 1.00 0.00 C ATOM 1358 O SER A 88 2.392 -2.012 -8.826 1.00 0.00 O ATOM 1359 CB SER A 88 2.013 -5.193 -8.077 1.00 0.00 C ATOM 1360 OG SER A 88 2.031 -5.213 -9.494 1.00 0.00 O ATOM 0 H SER A 88 0.267 -3.058 -9.047 1.00 0.00 H new ATOM 0 HA SER A 88 1.378 -3.913 -6.472 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.016 -5.382 -7.695 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.374 -5.995 -7.707 1.00 0.00 H new ATOM 0 HG SER A 88 2.360 -6.082 -9.805 1.00 0.00 H new ATOM 1366 N THR A 89 3.552 -2.662 -7.011 1.00 0.00 N ATOM 1367 CA THR A 89 4.596 -1.660 -7.184 1.00 0.00 C ATOM 1368 C THR A 89 5.943 -2.178 -6.694 1.00 0.00 C ATOM 1369 O THR A 89 6.017 -3.221 -6.045 1.00 0.00 O ATOM 1370 CB THR A 89 4.256 -0.358 -6.433 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.199 0.664 -6.772 1.00 0.00 O ATOM 1372 CG2 THR A 89 4.263 -0.584 -4.929 1.00 0.00 C ATOM 0 H THR A 89 3.681 -3.269 -6.202 1.00 0.00 H new ATOM 0 HA THR A 89 4.657 -1.450 -8.252 1.00 0.00 H new ATOM 0 HB THR A 89 3.257 -0.042 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.725 1.434 -7.149 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.020 0.349 -4.420 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.523 -1.341 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.251 -0.922 -4.616 1.00 0.00 H new ATOM 1380 N GLU A 90 7.005 -1.444 -7.010 1.00 0.00 N ATOM 1381 CA GLU A 90 8.350 -1.831 -6.601 1.00 0.00 C ATOM 1382 C GLU A 90 9.005 -0.730 -5.773 1.00 0.00 C ATOM 1383 O GLU A 90 8.998 0.440 -6.159 1.00 0.00 O ATOM 1384 CB GLU A 90 9.210 -2.143 -7.828 1.00 0.00 C ATOM 1385 CG GLU A 90 9.079 -3.576 -8.315 1.00 0.00 C ATOM 1386 CD GLU A 90 7.646 -3.954 -8.637 1.00 0.00 C ATOM 1387 OE1 GLU A 90 6.950 -3.145 -9.285 1.00 0.00 O ATOM 1388 OE2 GLU A 90 7.221 -5.060 -8.241 1.00 0.00 O ATOM 0 H GLU A 90 6.960 -0.578 -7.548 1.00 0.00 H new ATOM 0 HA GLU A 90 8.271 -2.726 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.933 -1.467 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.255 -1.943 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.695 -3.711 -9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.467 -4.252 -7.553 1.00 0.00 H new ATOM 1395 N LEU A 91 9.571 -1.112 -4.633 1.00 0.00 N ATOM 1396 CA LEU A 91 10.231 -0.158 -3.749 1.00 0.00 C ATOM 1397 C LEU A 91 11.738 -0.152 -3.982 1.00 0.00 C ATOM 1398 O LEU A 91 12.373 -1.206 -4.030 1.00 0.00 O ATOM 1399 CB LEU A 91 9.930 -0.494 -2.287 1.00 0.00 C ATOM 1400 CG LEU A 91 10.428 0.513 -1.251 1.00 0.00 C ATOM 1401 CD1 LEU A 91 11.947 0.498 -1.177 1.00 0.00 C ATOM 1402 CD2 LEU A 91 9.921 1.910 -1.579 1.00 0.00 C ATOM 0 H LEU A 91 9.586 -2.076 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 91 9.844 0.836 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.851 -0.598 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.369 -1.465 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 91 10.036 0.225 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.282 1.222 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.288 -0.498 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.361 0.759 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.285 2.614 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.283 2.207 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.831 1.911 -1.578 1.00 0.00 H new ATOM 1414 N PHE A 92 12.305 1.041 -4.124 1.00 0.00 N ATOM 1415 CA PHE A 92 13.739 1.184 -4.350 1.00 0.00 C ATOM 1416 C PHE A 92 14.381 2.028 -3.254 1.00 0.00 C ATOM 1417 O PHE A 92 14.366 3.258 -3.312 1.00 0.00 O ATOM 1418 CB PHE A 92 14.000 1.820 -5.717 1.00 0.00 C ATOM 1419 CG PHE A 92 13.736 0.893 -6.870 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.524 -0.229 -7.068 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.699 1.144 -7.754 1.00 0.00 C ATOM 1422 CE1 PHE A 92 14.284 -1.082 -8.128 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.454 0.293 -8.816 1.00 0.00 C ATOM 1424 CZ PHE A 92 13.247 -0.822 -9.002 1.00 0.00 C ATOM 0 H PHE A 92 11.794 1.923 -4.087 1.00 0.00 H new ATOM 0 HA PHE A 92 14.186 0.190 -4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.373 2.706 -5.822 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.036 2.156 -5.761 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.335 -0.439 -6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.075 2.014 -7.612 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.907 -1.952 -8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.643 0.500 -9.499 1.00 0.00 H new ATOM 0 HZ PHE A 92 13.057 -1.489 -9.829 1.00 0.00 H new ATOM 1434 N VAL A 93 14.944 1.358 -2.253 1.00 0.00 N ATOM 1435 CA VAL A 93 15.593 2.046 -1.142 1.00 0.00 C ATOM 1436 C VAL A 93 17.109 2.044 -1.305 1.00 0.00 C ATOM 1437 O VAL A 93 17.733 0.986 -1.392 1.00 0.00 O ATOM 1438 CB VAL A 93 15.231 1.396 0.207 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.542 -0.093 0.183 1.00 0.00 C ATOM 1440 CG2 VAL A 93 15.970 2.085 1.344 1.00 0.00 C ATOM 0 H VAL A 93 14.964 0.340 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 93 15.232 3.074 -1.150 1.00 0.00 H new ATOM 0 HB VAL A 93 14.161 1.516 0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.280 -0.535 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.964 -0.573 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.605 -0.240 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.703 1.614 2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.045 1.997 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.692 3.139 1.373 1.00 0.00 H new ATOM 1450 N ARG A 94 17.695 3.236 -1.345 1.00 0.00 N ATOM 1451 CA ARG A 94 19.139 3.372 -1.497 1.00 0.00 C ATOM 1452 C ARG A 94 19.851 3.132 -0.170 1.00 0.00 C ATOM 1453 O ARG A 94 19.215 3.045 0.881 1.00 0.00 O ATOM 1454 CB ARG A 94 19.487 4.763 -2.031 1.00 0.00 C ATOM 1455 CG ARG A 94 18.664 5.176 -3.240 1.00 0.00 C ATOM 1456 CD ARG A 94 19.131 6.509 -3.803 1.00 0.00 C ATOM 1457 NE ARG A 94 20.401 6.389 -4.514 1.00 0.00 N ATOM 1458 CZ ARG A 94 20.516 5.861 -5.728 1.00 0.00 C ATOM 1459 NH1 ARG A 94 19.444 5.408 -6.362 1.00 0.00 N ATOM 1460 NH2 ARG A 94 21.706 5.786 -6.309 1.00 0.00 N ATOM 0 H ARG A 94 17.193 4.121 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 94 19.477 2.621 -2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 94 19.341 5.495 -1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.544 4.787 -2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 94 18.737 4.409 -4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 94 17.613 5.247 -2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 94 18.373 6.902 -4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 94 19.237 7.228 -2.991 1.00 0.00 H new ATOM 0 HE ARG A 94 21.245 6.729 -4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 94 18.527 5.464 -5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 94 19.536 5.003 -7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.533 6.134 -5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 94 21.794 5.381 -7.241 1.00 0.00 H new