USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 824 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 66 ASN : amide:sc= -0.909 K(o=0.16,f=1.1) USER MOD Set 1.2: A 85 SER OG : rot 70:sc= 1.07 USER MOD Single : A 11 THR OG1 : rot -24:sc= 0.146 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot -65:sc= 0.992 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 39:sc= 0.088 USER MOD Single : A 21 LYS NZ :NH3+ 153:sc= 0.00567 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 25 GLN : amide:sc= -0.218 K(o=-0.22,f=-3.3!) USER MOD Single : A 26 ASN : amide:sc= -1.01 K(o=-1,f=-5.5!) USER MOD Single : A 27 TYR OH : rot 35:sc= -2.17! USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= -0.0212 (180deg=-0.221) USER MOD Single : A 37 THR OG1 : rot 53:sc= -0.133 USER MOD Single : A 40 HIS : no HD1:sc= -0.222 K(o=-0.22,f=-4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.787 K(o=-0.79,f=-1.8) USER MOD Single : A 77 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.44) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.641 X(o=-0.64,f=-0.4) USER MOD Single : A 106 GLN : amide:sc= -0.0768 X(o=-0.077,f=-0.056) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.729 X(o=-0.73,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -10.900 -11.544 8.932 1.00 0.00 N ATOM 105 CA THR A 11 -10.621 -10.205 8.430 1.00 0.00 C ATOM 106 C THR A 11 -9.588 -9.496 9.298 1.00 0.00 C ATOM 107 O THR A 11 -9.696 -9.484 10.524 1.00 0.00 O ATOM 108 CB THR A 11 -11.900 -9.348 8.372 1.00 0.00 C ATOM 109 OG1 THR A 11 -12.570 -9.382 9.637 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.838 -9.849 7.283 1.00 0.00 C ATOM 0 HA THR A 11 -10.225 -10.323 7.421 1.00 0.00 H new ATOM 0 HB THR A 11 -11.613 -8.322 8.140 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.312 -10.194 10.122 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.734 -9.229 7.261 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.336 -9.795 6.317 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.117 -10.882 7.490 1.00 0.00 H new ATOM 118 N PHE A 12 -8.586 -8.905 8.654 1.00 0.00 N ATOM 119 CA PHE A 12 -7.533 -8.194 9.369 1.00 0.00 C ATOM 120 C PHE A 12 -7.887 -6.719 9.534 1.00 0.00 C ATOM 121 O PHE A 12 -8.895 -6.250 9.008 1.00 0.00 O ATOM 122 CB PHE A 12 -6.202 -8.330 8.625 1.00 0.00 C ATOM 123 CG PHE A 12 -5.745 -9.752 8.469 1.00 0.00 C ATOM 124 CD1 PHE A 12 -4.952 -10.349 9.435 1.00 0.00 C ATOM 125 CD2 PHE A 12 -6.109 -10.492 7.355 1.00 0.00 C ATOM 126 CE1 PHE A 12 -4.530 -11.658 9.295 1.00 0.00 C ATOM 127 CE2 PHE A 12 -5.691 -11.801 7.210 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.899 -12.385 8.180 1.00 0.00 C ATOM 0 H PHE A 12 -8.482 -8.905 7.639 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.436 -8.639 10.359 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.299 -7.878 7.638 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.437 -7.767 9.160 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.660 -9.785 10.308 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.726 -10.041 6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.913 -12.112 10.056 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.983 -12.368 6.338 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.569 -13.407 8.067 1.00 0.00 H new ATOM 138 N ASN A 13 -7.051 -5.994 10.269 1.00 0.00 N ATOM 139 CA ASN A 13 -7.276 -4.573 10.506 1.00 0.00 C ATOM 140 C ASN A 13 -6.212 -3.730 9.809 1.00 0.00 C ATOM 141 O ASN A 13 -5.220 -3.317 10.410 1.00 0.00 O ATOM 142 CB ASN A 13 -7.274 -4.278 12.007 1.00 0.00 C ATOM 143 CG ASN A 13 -7.965 -5.363 12.810 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.186 -5.354 12.965 1.00 0.00 O ATOM 145 ND2 ASN A 13 -7.184 -6.304 13.326 1.00 0.00 N ATOM 0 H ASN A 13 -6.211 -6.367 10.711 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.250 -4.311 10.093 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.246 -4.173 12.353 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.770 -3.324 12.188 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.592 -7.060 13.877 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.176 -6.272 13.172 1.00 0.00 H new ATOM 152 N PRO A 14 -6.421 -3.468 8.510 1.00 0.00 N ATOM 153 CA PRO A 14 -5.491 -2.672 7.704 1.00 0.00 C ATOM 154 C PRO A 14 -5.493 -1.200 8.102 1.00 0.00 C ATOM 155 O PRO A 14 -6.473 -0.697 8.651 1.00 0.00 O ATOM 156 CB PRO A 14 -6.023 -2.841 6.279 1.00 0.00 C ATOM 157 CG PRO A 14 -7.471 -3.148 6.449 1.00 0.00 C ATOM 158 CD PRO A 14 -7.581 -3.929 7.730 1.00 0.00 C ATOM 0 HA PRO A 14 -4.459 -2.999 7.830 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.877 -1.934 5.692 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.506 -3.646 5.756 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.061 -2.233 6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.849 -3.726 5.606 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.519 -3.725 8.246 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.543 -5.003 7.550 1.00 0.00 H new ATOM 166 N ARG A 15 -4.389 -0.515 7.821 1.00 0.00 N ATOM 167 CA ARG A 15 -4.264 0.900 8.151 1.00 0.00 C ATOM 168 C ARG A 15 -4.369 1.762 6.896 1.00 0.00 C ATOM 169 O ARG A 15 -3.572 1.624 5.969 1.00 0.00 O ATOM 170 CB ARG A 15 -2.931 1.165 8.854 1.00 0.00 C ATOM 171 CG ARG A 15 -2.654 2.640 9.098 1.00 0.00 C ATOM 172 CD ARG A 15 -3.201 3.095 10.441 1.00 0.00 C ATOM 173 NE ARG A 15 -2.447 2.531 11.558 1.00 0.00 N ATOM 174 CZ ARG A 15 -2.649 2.871 12.827 1.00 0.00 C ATOM 175 NH1 ARG A 15 -3.575 3.767 13.137 1.00 0.00 N ATOM 176 NH2 ARG A 15 -1.923 2.314 13.787 1.00 0.00 N ATOM 0 H ARG A 15 -3.569 -0.916 7.366 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.081 1.165 8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.923 0.640 9.809 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.123 0.747 8.253 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.580 2.820 9.062 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.104 3.232 8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.170 4.183 10.495 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.247 2.801 10.525 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.726 1.839 11.353 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.135 4.197 12.401 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.728 4.026 14.112 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.209 1.624 13.552 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.078 2.575 14.761 1.00 0.00 H new ATOM 190 N GLU A 16 -5.358 2.650 6.876 1.00 0.00 N ATOM 191 CA GLU A 16 -5.567 3.533 5.734 1.00 0.00 C ATOM 192 C GLU A 16 -4.673 4.766 5.829 1.00 0.00 C ATOM 193 O GLU A 16 -4.275 5.175 6.921 1.00 0.00 O ATOM 194 CB GLU A 16 -7.035 3.959 5.653 1.00 0.00 C ATOM 195 CG GLU A 16 -7.404 4.622 4.337 1.00 0.00 C ATOM 196 CD GLU A 16 -8.797 5.221 4.356 1.00 0.00 C ATOM 197 OE1 GLU A 16 -9.636 4.748 5.151 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.047 6.164 3.576 1.00 0.00 O ATOM 0 H GLU A 16 -6.026 2.777 7.636 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.305 2.984 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.667 3.083 5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.250 4.647 6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.679 5.405 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.339 3.888 3.534 1.00 0.00 H new ATOM 205 N CYS A 17 -4.362 5.353 4.679 1.00 0.00 N ATOM 206 CA CYS A 17 -3.513 6.539 4.631 1.00 0.00 C ATOM 207 C CYS A 17 -4.119 7.604 3.723 1.00 0.00 C ATOM 208 O CYS A 17 -4.689 7.294 2.677 1.00 0.00 O ATOM 209 CB CYS A 17 -2.113 6.170 4.140 1.00 0.00 C ATOM 210 SG CYS A 17 -1.205 5.073 5.254 1.00 0.00 S ATOM 0 H CYS A 17 -4.684 5.028 3.768 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.441 6.945 5.640 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.196 5.691 3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.537 7.084 3.998 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.969 5.690 6.374 1.00 0.00 H new ATOM 216 N LYS A 18 -3.994 8.863 4.131 1.00 0.00 N ATOM 217 CA LYS A 18 -4.529 9.976 3.356 1.00 0.00 C ATOM 218 C LYS A 18 -3.452 11.022 3.091 1.00 0.00 C ATOM 219 O LYS A 18 -3.226 11.916 3.908 1.00 0.00 O ATOM 220 CB LYS A 18 -5.708 10.617 4.092 1.00 0.00 C ATOM 221 CG LYS A 18 -7.044 9.962 3.788 1.00 0.00 C ATOM 222 CD LYS A 18 -7.722 10.607 2.591 1.00 0.00 C ATOM 223 CE LYS A 18 -8.695 9.651 1.919 1.00 0.00 C ATOM 224 NZ LYS A 18 -9.906 9.415 2.754 1.00 0.00 N ATOM 0 H LYS A 18 -3.526 9.138 4.995 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.875 9.586 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.525 10.568 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.761 11.673 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.894 8.900 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.694 10.038 4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.254 11.503 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.967 10.925 1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.994 10.057 0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.196 8.701 1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.545 8.758 2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.624 9.004 3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.396 10.317 2.917 1.00 0.00 H new ATOM 238 N LEU A 19 -2.790 10.906 1.945 1.00 0.00 N ATOM 239 CA LEU A 19 -1.737 11.844 1.571 1.00 0.00 C ATOM 240 C LEU A 19 -2.312 13.035 0.812 1.00 0.00 C ATOM 241 O LEU A 19 -3.242 12.889 0.019 1.00 0.00 O ATOM 242 CB LEU A 19 -0.681 11.141 0.716 1.00 0.00 C ATOM 243 CG LEU A 19 0.418 10.402 1.479 1.00 0.00 C ATOM 244 CD1 LEU A 19 -0.095 9.066 1.995 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.639 10.200 0.594 1.00 0.00 C ATOM 0 H LEU A 19 -2.964 10.172 1.259 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.270 12.211 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.186 10.428 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.211 11.884 0.071 1.00 0.00 H new ATOM 0 HG LEU A 19 0.711 11.011 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.702 8.555 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.938 9.234 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.416 8.451 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.411 9.672 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.361 9.613 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.021 11.170 0.275 1.00 0.00 H new ATOM 257 N SER A 20 -1.751 14.215 1.060 1.00 0.00 N ATOM 258 CA SER A 20 -2.209 15.432 0.401 1.00 0.00 C ATOM 259 C SER A 20 -1.028 16.312 0.003 1.00 0.00 C ATOM 260 O SER A 20 -0.175 16.638 0.829 1.00 0.00 O ATOM 261 CB SER A 20 -3.153 16.211 1.320 1.00 0.00 C ATOM 262 OG SER A 20 -2.576 16.401 2.600 1.00 0.00 O ATOM 0 H SER A 20 -0.979 14.353 1.712 1.00 0.00 H new ATOM 0 HA SER A 20 -2.747 15.146 -0.503 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.383 17.179 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.096 15.673 1.419 1.00 0.00 H new ATOM 0 HG SER A 20 -1.619 16.590 2.503 1.00 0.00 H new ATOM 268 N LYS A 21 -0.985 16.693 -1.269 1.00 0.00 N ATOM 269 CA LYS A 21 0.090 17.536 -1.780 1.00 0.00 C ATOM 270 C LYS A 21 -0.433 18.506 -2.834 1.00 0.00 C ATOM 271 O LYS A 21 -1.546 18.349 -3.336 1.00 0.00 O ATOM 272 CB LYS A 21 1.205 16.673 -2.374 1.00 0.00 C ATOM 273 CG LYS A 21 0.842 16.044 -3.708 1.00 0.00 C ATOM 274 CD LYS A 21 2.008 15.267 -4.294 1.00 0.00 C ATOM 275 CE LYS A 21 1.922 15.191 -5.811 1.00 0.00 C ATOM 276 NZ LYS A 21 2.728 14.063 -6.356 1.00 0.00 N ATOM 0 H LYS A 21 -1.683 16.431 -1.966 1.00 0.00 H new ATOM 0 HA LYS A 21 0.491 18.114 -0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.098 17.285 -2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.458 15.883 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.011 15.378 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.535 16.822 -4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.945 15.743 -4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.021 14.259 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.881 15.071 -6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.272 16.129 -6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.320 13.750 -7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.707 14.378 -6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.720 13.273 -5.680 1.00 0.00 H new ATOM 290 N GLN A 22 0.376 19.506 -3.166 1.00 0.00 N ATOM 291 CA GLN A 22 -0.006 20.500 -4.162 1.00 0.00 C ATOM 292 C GLN A 22 0.471 20.091 -5.551 1.00 0.00 C ATOM 293 O GLN A 22 1.378 19.271 -5.689 1.00 0.00 O ATOM 294 CB GLN A 22 0.570 21.869 -3.795 1.00 0.00 C ATOM 295 CG GLN A 22 -0.068 22.487 -2.561 1.00 0.00 C ATOM 296 CD GLN A 22 -1.351 23.229 -2.878 1.00 0.00 C ATOM 297 OE1 GLN A 22 -2.008 22.957 -3.883 1.00 0.00 O ATOM 298 NE2 GLN A 22 -1.717 24.174 -2.018 1.00 0.00 N ATOM 0 H GLN A 22 1.301 19.650 -2.760 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.094 20.563 -4.176 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.643 21.770 -3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.440 22.547 -4.639 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.276 21.703 -1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.639 23.174 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.143 24.367 -1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.572 24.706 -2.179 1.00 0.00 H new ATOM 307 N GLU A 23 -0.146 20.667 -6.578 1.00 0.00 N ATOM 308 CA GLU A 23 0.216 20.360 -7.956 1.00 0.00 C ATOM 309 C GLU A 23 1.668 20.736 -8.234 1.00 0.00 C ATOM 310 O GLU A 23 2.042 21.906 -8.168 1.00 0.00 O ATOM 311 CB GLU A 23 -0.708 21.099 -8.927 1.00 0.00 C ATOM 312 CG GLU A 23 -1.204 22.434 -8.397 1.00 0.00 C ATOM 313 CD GLU A 23 -1.643 23.373 -9.504 1.00 0.00 C ATOM 314 OE1 GLU A 23 -0.968 23.411 -10.554 1.00 0.00 O ATOM 315 OE2 GLU A 23 -2.663 24.071 -9.319 1.00 0.00 O ATOM 0 H GLU A 23 -0.899 21.349 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 23 0.102 19.286 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.178 21.264 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.566 20.466 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.039 22.264 -7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.412 22.907 -7.817 1.00 0.00 H new ATOM 322 N GLY A 24 2.484 19.733 -8.545 1.00 0.00 N ATOM 323 CA GLY A 24 3.887 19.977 -8.827 1.00 0.00 C ATOM 324 C GLY A 24 4.792 19.527 -7.699 1.00 0.00 C ATOM 325 O GLY A 24 5.900 19.046 -7.938 1.00 0.00 O ATOM 0 H GLY A 24 2.198 18.756 -8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.166 19.456 -9.743 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.038 21.041 -9.007 1.00 0.00 H new ATOM 329 N GLN A 25 4.322 19.684 -6.466 1.00 0.00 N ATOM 330 CA GLN A 25 5.099 19.291 -5.296 1.00 0.00 C ATOM 331 C GLN A 25 5.150 17.773 -5.160 1.00 0.00 C ATOM 332 O GLN A 25 4.409 17.056 -5.831 1.00 0.00 O ATOM 333 CB GLN A 25 4.503 19.909 -4.030 1.00 0.00 C ATOM 334 CG GLN A 25 5.077 21.275 -3.691 1.00 0.00 C ATOM 335 CD GLN A 25 6.557 21.221 -3.364 1.00 0.00 C ATOM 336 OE1 GLN A 25 7.122 20.145 -3.169 1.00 0.00 O ATOM 337 NE2 GLN A 25 7.192 22.385 -3.303 1.00 0.00 N ATOM 0 H GLN A 25 3.407 20.080 -6.251 1.00 0.00 H new ATOM 0 HA GLN A 25 6.116 19.660 -5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.424 19.998 -4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.674 19.234 -3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.919 21.950 -4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.536 21.692 -2.841 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.683 23.253 -3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.189 22.412 -3.087 1.00 0.00 H new ATOM 346 N ASN A 26 6.029 17.291 -4.288 1.00 0.00 N ATOM 347 CA ASN A 26 6.177 15.857 -4.066 1.00 0.00 C ATOM 348 C ASN A 26 5.557 15.447 -2.733 1.00 0.00 C ATOM 349 O ASN A 26 5.338 16.282 -1.855 1.00 0.00 O ATOM 350 CB ASN A 26 7.656 15.465 -4.095 1.00 0.00 C ATOM 351 CG ASN A 26 7.871 13.997 -3.782 1.00 0.00 C ATOM 352 OD1 ASN A 26 8.394 13.646 -2.724 1.00 0.00 O ATOM 353 ND2 ASN A 26 7.467 13.130 -4.704 1.00 0.00 N ATOM 0 H ASN A 26 6.649 17.872 -3.724 1.00 0.00 H new ATOM 0 HA ASN A 26 5.654 15.334 -4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.069 15.688 -5.079 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.204 16.072 -3.374 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.585 12.129 -4.549 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.038 13.466 -5.567 1.00 0.00 H new ATOM 360 N TYR A 27 5.275 14.157 -2.590 1.00 0.00 N ATOM 361 CA TYR A 27 4.679 13.636 -1.366 1.00 0.00 C ATOM 362 C TYR A 27 5.731 13.474 -0.273 1.00 0.00 C ATOM 363 O TYR A 27 5.465 13.722 0.902 1.00 0.00 O ATOM 364 CB TYR A 27 3.998 12.293 -1.638 1.00 0.00 C ATOM 365 CG TYR A 27 2.578 12.424 -2.139 1.00 0.00 C ATOM 366 CD1 TYR A 27 1.603 13.046 -1.369 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.211 11.926 -3.384 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.304 13.167 -1.824 1.00 0.00 C ATOM 369 CE2 TYR A 27 0.915 12.044 -3.846 1.00 0.00 C ATOM 370 CZ TYR A 27 -0.035 12.665 -3.063 1.00 0.00 C ATOM 371 OH TYR A 27 -1.328 12.785 -3.519 1.00 0.00 O ATOM 0 H TYR A 27 5.450 13.453 -3.307 1.00 0.00 H new ATOM 0 HA TYR A 27 3.932 14.352 -1.022 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.584 11.740 -2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.998 11.703 -0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.865 13.441 -0.399 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.952 11.439 -4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.442 13.652 -1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.647 11.652 -4.816 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.707 13.634 -3.209 1.00 0.00 H new ATOM 381 N GLY A 28 6.929 13.055 -0.671 1.00 0.00 N ATOM 382 CA GLY A 28 8.004 12.868 0.285 1.00 0.00 C ATOM 383 C GLY A 28 8.513 11.440 0.313 1.00 0.00 C ATOM 384 O GLY A 28 9.682 11.196 0.613 1.00 0.00 O ATOM 0 H GLY A 28 7.173 12.842 -1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.827 13.539 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.654 13.145 1.279 1.00 0.00 H new ATOM 388 N PHE A 29 7.634 10.494 0.000 1.00 0.00 N ATOM 389 CA PHE A 29 8.000 9.083 -0.008 1.00 0.00 C ATOM 390 C PHE A 29 8.059 8.544 -1.434 1.00 0.00 C ATOM 391 O PHE A 29 7.586 9.185 -2.372 1.00 0.00 O ATOM 392 CB PHE A 29 6.999 8.270 0.815 1.00 0.00 C ATOM 393 CG PHE A 29 5.819 7.788 0.020 1.00 0.00 C ATOM 394 CD1 PHE A 29 4.806 8.662 -0.340 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.724 6.462 -0.368 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.719 8.223 -1.072 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.640 6.017 -1.101 1.00 0.00 C ATOM 398 CZ PHE A 29 3.636 6.898 -1.452 1.00 0.00 C ATOM 0 H PHE A 29 6.663 10.679 -0.251 1.00 0.00 H new ATOM 0 HA PHE A 29 8.990 8.988 0.439 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.510 7.410 1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.643 8.880 1.645 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.867 9.699 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.505 5.768 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.936 8.915 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.578 4.981 -1.399 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.787 6.551 -2.023 1.00 0.00 H new ATOM 408 N PHE A 30 8.644 7.361 -1.589 1.00 0.00 N ATOM 409 CA PHE A 30 8.768 6.735 -2.901 1.00 0.00 C ATOM 410 C PHE A 30 8.421 5.251 -2.830 1.00 0.00 C ATOM 411 O PHE A 30 8.629 4.601 -1.804 1.00 0.00 O ATOM 412 CB PHE A 30 10.187 6.914 -3.443 1.00 0.00 C ATOM 413 CG PHE A 30 10.507 8.328 -3.834 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.971 9.233 -2.892 1.00 0.00 C ATOM 415 CD2 PHE A 30 10.343 8.754 -5.142 1.00 0.00 C ATOM 416 CE1 PHE A 30 11.265 10.535 -3.249 1.00 0.00 C ATOM 417 CE2 PHE A 30 10.635 10.055 -5.505 1.00 0.00 C ATOM 418 CZ PHE A 30 11.098 10.947 -4.557 1.00 0.00 C ATOM 0 H PHE A 30 9.040 6.816 -0.823 1.00 0.00 H new ATOM 0 HA PHE A 30 8.065 7.222 -3.577 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.900 6.585 -2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.320 6.267 -4.310 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.104 8.917 -1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.982 8.061 -5.887 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.625 11.231 -2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.501 10.374 -6.528 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.329 11.964 -4.838 1.00 0.00 H new ATOM 428 N LEU A 31 7.891 4.721 -3.927 1.00 0.00 N ATOM 429 CA LEU A 31 7.514 3.313 -3.991 1.00 0.00 C ATOM 430 C LEU A 31 8.669 2.463 -4.513 1.00 0.00 C ATOM 431 O LEU A 31 8.954 2.454 -5.710 1.00 0.00 O ATOM 432 CB LEU A 31 6.288 3.133 -4.887 1.00 0.00 C ATOM 433 CG LEU A 31 4.929 3.229 -4.192 1.00 0.00 C ATOM 434 CD1 LEU A 31 3.806 3.256 -5.217 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.742 2.070 -3.224 1.00 0.00 C ATOM 0 H LEU A 31 7.713 5.245 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 31 7.270 2.982 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.325 3.886 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.357 2.160 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 31 4.898 4.159 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.847 3.324 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.931 4.119 -5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.835 2.343 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.770 2.155 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.794 1.128 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.528 2.096 -2.469 1.00 0.00 H new ATOM 447 N ARG A 32 9.328 1.749 -3.606 1.00 0.00 N ATOM 448 CA ARG A 32 10.450 0.895 -3.976 1.00 0.00 C ATOM 449 C ARG A 32 10.146 -0.568 -3.665 1.00 0.00 C ATOM 450 O ARG A 32 9.166 -0.877 -2.987 1.00 0.00 O ATOM 451 CB ARG A 32 11.716 1.332 -3.236 1.00 0.00 C ATOM 452 CG ARG A 32 12.406 2.531 -3.866 1.00 0.00 C ATOM 453 CD ARG A 32 13.232 2.125 -5.077 1.00 0.00 C ATOM 454 NE ARG A 32 14.490 1.490 -4.693 1.00 0.00 N ATOM 455 CZ ARG A 32 15.562 1.452 -5.476 1.00 0.00 C ATOM 456 NH1 ARG A 32 15.530 2.011 -6.678 1.00 0.00 N ATOM 457 NH2 ARG A 32 16.671 0.855 -5.056 1.00 0.00 N ATOM 0 H ARG A 32 9.104 1.745 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 32 10.611 0.994 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.459 1.572 -2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.415 0.496 -3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.659 3.267 -4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.050 3.010 -3.129 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.654 1.439 -5.697 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.441 3.005 -5.685 1.00 0.00 H new ATOM 0 HE ARG A 32 14.548 1.052 -3.774 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.680 2.472 -7.004 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.355 1.980 -7.277 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.700 0.425 -4.131 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.494 0.826 -5.658 1.00 0.00 H new ATOM 471 N ILE A 33 10.992 -1.462 -4.166 1.00 0.00 N ATOM 472 CA ILE A 33 10.813 -2.891 -3.941 1.00 0.00 C ATOM 473 C ILE A 33 12.122 -3.548 -3.515 1.00 0.00 C ATOM 474 O ILE A 33 13.205 -3.062 -3.837 1.00 0.00 O ATOM 475 CB ILE A 33 10.284 -3.598 -5.203 1.00 0.00 C ATOM 476 CG1 ILE A 33 11.136 -3.224 -6.418 1.00 0.00 C ATOM 477 CG2 ILE A 33 8.826 -3.236 -5.440 1.00 0.00 C ATOM 478 CD1 ILE A 33 12.399 -4.046 -6.546 1.00 0.00 C ATOM 0 H ILE A 33 11.807 -1.222 -4.730 1.00 0.00 H new ATOM 0 HA ILE A 33 10.079 -2.995 -3.142 1.00 0.00 H new ATOM 0 HB ILE A 33 10.351 -4.676 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.539 -3.347 -7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.404 -2.169 -6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.466 -3.743 -6.335 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.230 -3.547 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.736 -2.158 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.953 -3.727 -7.429 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.017 -3.905 -5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.139 -5.100 -6.643 1.00 0.00 H new ATOM 490 N GLU A 34 12.012 -4.657 -2.789 1.00 0.00 N ATOM 491 CA GLU A 34 13.188 -5.381 -2.320 1.00 0.00 C ATOM 492 C GLU A 34 13.178 -6.820 -2.827 1.00 0.00 C ATOM 493 O GLU A 34 12.129 -7.461 -2.894 1.00 0.00 O ATOM 494 CB GLU A 34 13.246 -5.368 -0.791 1.00 0.00 C ATOM 495 CG GLU A 34 14.488 -6.033 -0.223 1.00 0.00 C ATOM 496 CD GLU A 34 15.710 -5.138 -0.286 1.00 0.00 C ATOM 497 OE1 GLU A 34 15.800 -4.322 -1.227 1.00 0.00 O ATOM 498 OE2 GLU A 34 16.576 -5.252 0.606 1.00 0.00 O ATOM 0 H GLU A 34 11.122 -5.073 -2.513 1.00 0.00 H new ATOM 0 HA GLU A 34 14.073 -4.881 -2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.206 -4.336 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.363 -5.872 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.302 -6.316 0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.687 -6.953 -0.773 1.00 0.00 H new ATOM 505 N LYS A 35 14.355 -7.323 -3.185 1.00 0.00 N ATOM 506 CA LYS A 35 14.485 -8.686 -3.685 1.00 0.00 C ATOM 507 C LYS A 35 13.996 -9.695 -2.651 1.00 0.00 C ATOM 508 O LYS A 35 14.160 -9.494 -1.448 1.00 0.00 O ATOM 509 CB LYS A 35 15.942 -8.981 -4.051 1.00 0.00 C ATOM 510 CG LYS A 35 16.841 -9.190 -2.845 1.00 0.00 C ATOM 511 CD LYS A 35 17.368 -7.871 -2.306 1.00 0.00 C ATOM 512 CE LYS A 35 18.719 -8.045 -1.629 1.00 0.00 C ATOM 513 NZ LYS A 35 19.800 -8.329 -2.614 1.00 0.00 N ATOM 0 H LYS A 35 15.233 -6.806 -3.138 1.00 0.00 H new ATOM 0 HA LYS A 35 13.866 -8.778 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.977 -9.871 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.333 -8.156 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.287 -9.708 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.678 -9.832 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 35 17.458 -7.154 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.654 -7.456 -1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.965 -7.142 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.662 -8.860 -0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.724 -8.126 -2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.761 -9.330 -2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.670 -7.730 -3.454 1.00 0.00 H new ATOM 527 N ASP A 36 13.395 -10.780 -3.128 1.00 0.00 N ATOM 528 CA ASP A 36 12.884 -11.821 -2.244 1.00 0.00 C ATOM 529 C ASP A 36 11.995 -11.224 -1.158 1.00 0.00 C ATOM 530 O ASP A 36 12.065 -11.622 0.006 1.00 0.00 O ATOM 531 CB ASP A 36 14.041 -12.592 -1.606 1.00 0.00 C ATOM 532 CG ASP A 36 15.001 -13.153 -2.637 1.00 0.00 C ATOM 533 OD1 ASP A 36 14.602 -14.073 -3.381 1.00 0.00 O ATOM 534 OD2 ASP A 36 16.151 -12.670 -2.701 1.00 0.00 O ATOM 0 H ASP A 36 13.250 -10.961 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 36 12.285 -12.508 -2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.584 -11.932 -0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.642 -13.408 -1.004 1.00 0.00 H new ATOM 539 N THR A 37 11.159 -10.266 -1.545 1.00 0.00 N ATOM 540 CA THR A 37 10.258 -9.612 -0.604 1.00 0.00 C ATOM 541 C THR A 37 8.833 -9.570 -1.146 1.00 0.00 C ATOM 542 O THR A 37 8.618 -9.337 -2.336 1.00 0.00 O ATOM 543 CB THR A 37 10.718 -8.176 -0.291 1.00 0.00 C ATOM 544 OG1 THR A 37 12.127 -8.156 -0.040 1.00 0.00 O ATOM 545 CG2 THR A 37 9.975 -7.620 0.914 1.00 0.00 C ATOM 0 H THR A 37 11.087 -9.926 -2.504 1.00 0.00 H new ATOM 0 HA THR A 37 10.278 -10.200 0.313 1.00 0.00 H new ATOM 0 HB THR A 37 10.495 -7.551 -1.155 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.598 -8.587 -0.784 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.317 -6.605 1.116 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.905 -7.608 0.708 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.170 -8.248 1.783 1.00 0.00 H new ATOM 553 N ASP A 38 7.864 -9.797 -0.267 1.00 0.00 N ATOM 554 CA ASP A 38 6.459 -9.784 -0.657 1.00 0.00 C ATOM 555 C ASP A 38 5.858 -8.394 -0.476 1.00 0.00 C ATOM 556 O ASP A 38 6.247 -7.651 0.424 1.00 0.00 O ATOM 557 CB ASP A 38 5.670 -10.805 0.164 1.00 0.00 C ATOM 558 CG ASP A 38 5.957 -12.233 -0.258 1.00 0.00 C ATOM 559 OD1 ASP A 38 7.079 -12.715 0.003 1.00 0.00 O ATOM 560 OD2 ASP A 38 5.059 -12.868 -0.849 1.00 0.00 O ATOM 0 H ASP A 38 8.025 -9.992 0.721 1.00 0.00 H new ATOM 0 HA ASP A 38 6.398 -10.052 -1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.914 -10.685 1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.604 -10.605 0.059 1.00 0.00 H new ATOM 565 N GLY A 39 4.907 -8.049 -1.338 1.00 0.00 N ATOM 566 CA GLY A 39 4.268 -6.748 -1.257 1.00 0.00 C ATOM 567 C GLY A 39 5.144 -5.637 -1.802 1.00 0.00 C ATOM 568 O GLY A 39 6.070 -5.889 -2.574 1.00 0.00 O ATOM 0 H GLY A 39 4.567 -8.647 -2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.330 -6.772 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.018 -6.533 -0.218 1.00 0.00 H new ATOM 572 N HIS A 40 4.850 -4.404 -1.402 1.00 0.00 N ATOM 573 CA HIS A 40 5.617 -3.250 -1.857 1.00 0.00 C ATOM 574 C HIS A 40 6.440 -2.661 -0.716 1.00 0.00 C ATOM 575 O HIS A 40 6.054 -2.746 0.451 1.00 0.00 O ATOM 576 CB HIS A 40 4.683 -2.184 -2.431 1.00 0.00 C ATOM 577 CG HIS A 40 4.117 -2.542 -3.771 1.00 0.00 C ATOM 578 ND1 HIS A 40 4.861 -2.520 -4.932 1.00 0.00 N ATOM 579 CD2 HIS A 40 2.873 -2.934 -4.130 1.00 0.00 C ATOM 580 CE1 HIS A 40 4.097 -2.881 -5.948 1.00 0.00 C ATOM 581 NE2 HIS A 40 2.886 -3.139 -5.488 1.00 0.00 N ATOM 0 H HIS A 40 4.087 -4.178 -0.764 1.00 0.00 H new ATOM 0 HA HIS A 40 6.299 -3.584 -2.639 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.863 -2.017 -1.732 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.227 -1.243 -2.515 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.027 -3.062 -3.471 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.410 -2.953 -6.979 1.00 0.00 H new ATOM 0 HE2 HIS A 40 2.090 -3.441 -6.050 1.00 0.00 H new ATOM 590 N LEU A 41 7.577 -2.064 -1.059 1.00 0.00 N ATOM 591 CA LEU A 41 8.455 -1.461 -0.062 1.00 0.00 C ATOM 592 C LEU A 41 8.430 0.061 -0.164 1.00 0.00 C ATOM 593 O LEU A 41 8.432 0.620 -1.261 1.00 0.00 O ATOM 594 CB LEU A 41 9.886 -1.971 -0.240 1.00 0.00 C ATOM 595 CG LEU A 41 10.092 -3.474 -0.044 1.00 0.00 C ATOM 596 CD1 LEU A 41 10.060 -3.829 1.434 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.036 -4.261 -0.807 1.00 0.00 C ATOM 0 H LEU A 41 7.912 -1.985 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 41 8.093 -1.747 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.223 -1.706 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.529 -1.442 0.463 1.00 0.00 H new ATOM 0 HG LEU A 41 11.072 -3.742 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.208 -4.902 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.854 -3.293 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.095 -3.547 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.198 -5.328 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.045 -3.989 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.107 -4.030 -1.870 1.00 0.00 H new ATOM 609 N ILE A 42 8.408 0.725 0.987 1.00 0.00 N ATOM 610 CA ILE A 42 8.385 2.182 1.027 1.00 0.00 C ATOM 611 C ILE A 42 9.611 2.731 1.750 1.00 0.00 C ATOM 612 O ILE A 42 9.762 2.554 2.959 1.00 0.00 O ATOM 613 CB ILE A 42 7.115 2.706 1.723 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.873 2.340 0.908 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.202 4.213 1.918 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.587 2.417 1.700 1.00 0.00 C ATOM 0 H ILE A 42 8.406 0.277 1.904 1.00 0.00 H new ATOM 0 HA ILE A 42 8.391 2.527 -0.007 1.00 0.00 H new ATOM 0 HB ILE A 42 7.035 2.236 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.802 3.008 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.990 1.329 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.297 4.569 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.069 4.451 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.302 4.700 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.748 2.145 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.638 1.729 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.447 3.433 2.069 1.00 0.00 H new ATOM 628 N ARG A 43 10.483 3.398 1.001 1.00 0.00 N ATOM 629 CA ARG A 43 11.695 3.974 1.571 1.00 0.00 C ATOM 630 C ARG A 43 11.811 5.454 1.219 1.00 0.00 C ATOM 631 O ARG A 43 11.089 5.957 0.358 1.00 0.00 O ATOM 632 CB ARG A 43 12.928 3.221 1.067 1.00 0.00 C ATOM 633 CG ARG A 43 14.085 3.218 2.054 1.00 0.00 C ATOM 634 CD ARG A 43 15.239 2.362 1.556 1.00 0.00 C ATOM 635 NE ARG A 43 14.926 0.937 1.607 1.00 0.00 N ATOM 636 CZ ARG A 43 14.843 0.243 2.737 1.00 0.00 C ATOM 637 NH1 ARG A 43 15.047 0.841 3.903 1.00 0.00 N ATOM 638 NH2 ARG A 43 14.553 -1.052 2.702 1.00 0.00 N ATOM 0 H ARG A 43 10.373 3.553 -0.001 1.00 0.00 H new ATOM 0 HA ARG A 43 11.637 3.880 2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.649 2.191 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.261 3.670 0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.431 4.239 2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.742 2.843 3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.483 2.643 0.531 1.00 0.00 H new ATOM 0 HD3 ARG A 43 16.124 2.560 2.160 1.00 0.00 H new ATOM 0 HE ARG A 43 14.762 0.447 0.727 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.268 1.836 3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.983 0.306 4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.394 -1.515 1.807 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.489 -1.584 3.570 1.00 0.00 H new ATOM 652 N VAL A 44 12.725 6.147 1.892 1.00 0.00 N ATOM 653 CA VAL A 44 12.936 7.569 1.650 1.00 0.00 C ATOM 654 C VAL A 44 11.797 8.400 2.229 1.00 0.00 C ATOM 655 O VAL A 44 11.280 9.305 1.574 1.00 0.00 O ATOM 656 CB VAL A 44 13.063 7.870 0.145 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.606 9.274 -0.075 1.00 0.00 C ATOM 658 CG2 VAL A 44 13.948 6.834 -0.533 1.00 0.00 C ATOM 0 H VAL A 44 13.331 5.747 2.608 1.00 0.00 H new ATOM 0 HA VAL A 44 13.868 7.839 2.147 1.00 0.00 H new ATOM 0 HB VAL A 44 12.071 7.816 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.689 9.469 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.929 10.000 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.590 9.360 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.027 7.062 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 44 14.941 6.853 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.511 5.843 -0.406 1.00 0.00 H new ATOM 668 N ILE A 45 11.411 8.087 3.462 1.00 0.00 N ATOM 669 CA ILE A 45 10.334 8.807 4.130 1.00 0.00 C ATOM 670 C ILE A 45 10.850 10.081 4.789 1.00 0.00 C ATOM 671 O ILE A 45 11.198 10.083 5.970 1.00 0.00 O ATOM 672 CB ILE A 45 9.649 7.931 5.196 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.002 6.708 4.544 1.00 0.00 C ATOM 674 CG2 ILE A 45 8.612 8.741 5.960 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.487 5.693 5.541 1.00 0.00 C ATOM 0 H ILE A 45 11.828 7.340 4.018 1.00 0.00 H new ATOM 0 HA ILE A 45 9.605 9.068 3.363 1.00 0.00 H new ATOM 0 HB ILE A 45 10.405 7.586 5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.176 7.037 3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.730 6.227 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.136 8.109 6.710 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.098 9.583 6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.857 9.112 5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.041 4.853 5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.313 5.336 6.156 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.735 6.158 6.178 1.00 0.00 H new ATOM 687 N GLU A 46 10.894 11.163 4.019 1.00 0.00 N ATOM 688 CA GLU A 46 11.367 12.445 4.530 1.00 0.00 C ATOM 689 C GLU A 46 10.708 12.775 5.866 1.00 0.00 C ATOM 690 O GLU A 46 9.667 12.216 6.210 1.00 0.00 O ATOM 691 CB GLU A 46 11.083 13.558 3.520 1.00 0.00 C ATOM 692 CG GLU A 46 11.943 13.480 2.270 1.00 0.00 C ATOM 693 CD GLU A 46 13.363 13.958 2.509 1.00 0.00 C ATOM 694 OE1 GLU A 46 13.542 14.920 3.284 1.00 0.00 O ATOM 695 OE2 GLU A 46 14.294 13.370 1.920 1.00 0.00 O ATOM 0 H GLU A 46 10.608 11.178 3.040 1.00 0.00 H new ATOM 0 HA GLU A 46 12.443 12.370 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.033 13.516 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.243 14.523 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.965 12.451 1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.489 14.081 1.483 1.00 0.00 H new ATOM 702 N GLU A 47 11.322 13.686 6.613 1.00 0.00 N ATOM 703 CA GLU A 47 10.795 14.089 7.912 1.00 0.00 C ATOM 704 C GLU A 47 9.700 15.140 7.753 1.00 0.00 C ATOM 705 O GLU A 47 9.755 15.978 6.854 1.00 0.00 O ATOM 706 CB GLU A 47 11.918 14.637 8.795 1.00 0.00 C ATOM 707 CG GLU A 47 11.667 14.455 10.282 1.00 0.00 C ATOM 708 CD GLU A 47 12.680 15.189 11.139 1.00 0.00 C ATOM 709 OE1 GLU A 47 13.772 14.632 11.374 1.00 0.00 O ATOM 710 OE2 GLU A 47 12.380 16.321 11.575 1.00 0.00 O ATOM 0 H GLU A 47 12.184 14.159 6.342 1.00 0.00 H new ATOM 0 HA GLU A 47 10.364 13.209 8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.852 14.142 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.049 15.698 8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.666 14.812 10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.694 13.393 10.524 1.00 0.00 H new ATOM 717 N GLY A 48 8.705 15.087 8.632 1.00 0.00 N ATOM 718 CA GLY A 48 7.610 16.039 8.572 1.00 0.00 C ATOM 719 C GLY A 48 6.911 16.033 7.228 1.00 0.00 C ATOM 720 O GLY A 48 6.289 17.022 6.840 1.00 0.00 O ATOM 0 H GLY A 48 8.637 14.402 9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.888 15.807 9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.991 17.040 8.776 1.00 0.00 H new ATOM 724 N SER A 49 7.013 14.917 6.513 1.00 0.00 N ATOM 725 CA SER A 49 6.390 14.789 5.202 1.00 0.00 C ATOM 726 C SER A 49 4.940 14.331 5.331 1.00 0.00 C ATOM 727 O SER A 49 4.552 13.682 6.303 1.00 0.00 O ATOM 728 CB SER A 49 7.173 13.800 4.335 1.00 0.00 C ATOM 729 OG SER A 49 6.749 12.469 4.570 1.00 0.00 O ATOM 0 H SER A 49 7.522 14.088 6.821 1.00 0.00 H new ATOM 0 HA SER A 49 6.403 15.769 4.725 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.037 14.048 3.282 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.238 13.889 4.548 1.00 0.00 H new ATOM 0 HG SER A 49 7.263 11.857 4.003 1.00 0.00 H new ATOM 735 N PRO A 50 4.119 14.676 4.329 1.00 0.00 N ATOM 736 CA PRO A 50 2.700 14.311 4.306 1.00 0.00 C ATOM 737 C PRO A 50 2.489 12.815 4.094 1.00 0.00 C ATOM 738 O PRO A 50 1.379 12.307 4.248 1.00 0.00 O ATOM 739 CB PRO A 50 2.149 15.102 3.117 1.00 0.00 C ATOM 740 CG PRO A 50 3.324 15.318 2.228 1.00 0.00 C ATOM 741 CD PRO A 50 4.514 15.449 3.139 1.00 0.00 C ATOM 0 HA PRO A 50 2.206 14.537 5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.361 14.549 2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.716 16.049 3.438 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.450 14.483 1.538 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.195 16.215 1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.417 15.047 2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.718 16.491 3.386 1.00 0.00 H new ATOM 749 N ALA A 51 3.562 12.115 3.741 1.00 0.00 N ATOM 750 CA ALA A 51 3.495 10.678 3.511 1.00 0.00 C ATOM 751 C ALA A 51 3.583 9.907 4.824 1.00 0.00 C ATOM 752 O ALA A 51 2.838 8.953 5.044 1.00 0.00 O ATOM 753 CB ALA A 51 4.605 10.242 2.566 1.00 0.00 C ATOM 0 H ALA A 51 4.488 12.521 3.608 1.00 0.00 H new ATOM 0 HA ALA A 51 2.532 10.453 3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.543 9.166 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.496 10.760 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.573 10.487 3.004 1.00 0.00 H new ATOM 759 N GLU A 52 4.498 10.327 5.691 1.00 0.00 N ATOM 760 CA GLU A 52 4.683 9.673 6.982 1.00 0.00 C ATOM 761 C GLU A 52 3.516 9.976 7.917 1.00 0.00 C ATOM 762 O GLU A 52 3.082 9.117 8.685 1.00 0.00 O ATOM 763 CB GLU A 52 5.996 10.126 7.624 1.00 0.00 C ATOM 764 CG GLU A 52 6.368 9.339 8.869 1.00 0.00 C ATOM 765 CD GLU A 52 7.199 10.150 9.845 1.00 0.00 C ATOM 766 OE1 GLU A 52 8.403 10.344 9.581 1.00 0.00 O ATOM 767 OE2 GLU A 52 6.643 10.589 10.874 1.00 0.00 O ATOM 0 H GLU A 52 5.122 11.116 5.524 1.00 0.00 H new ATOM 0 HA GLU A 52 4.721 8.597 6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.799 10.034 6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.919 11.182 7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.459 9.001 9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.923 8.447 8.578 1.00 0.00 H new ATOM 774 N LYS A 53 3.013 11.203 7.847 1.00 0.00 N ATOM 775 CA LYS A 53 1.896 11.621 8.686 1.00 0.00 C ATOM 776 C LYS A 53 0.777 10.584 8.659 1.00 0.00 C ATOM 777 O LYS A 53 0.008 10.462 9.612 1.00 0.00 O ATOM 778 CB LYS A 53 1.360 12.977 8.220 1.00 0.00 C ATOM 779 CG LYS A 53 2.139 14.160 8.768 1.00 0.00 C ATOM 780 CD LYS A 53 1.616 14.590 10.128 1.00 0.00 C ATOM 781 CE LYS A 53 2.581 15.540 10.821 1.00 0.00 C ATOM 782 NZ LYS A 53 2.004 16.098 12.076 1.00 0.00 N ATOM 0 H LYS A 53 3.361 11.926 7.218 1.00 0.00 H new ATOM 0 HA LYS A 53 2.258 11.713 9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.381 13.012 7.131 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.317 13.069 8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.193 13.896 8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.072 14.995 8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.647 15.076 10.010 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.457 13.711 10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.508 15.014 11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.837 16.356 10.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.692 16.740 12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.133 16.622 11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.784 15.322 12.732 1.00 0.00 H new ATOM 796 N ALA A 54 0.694 9.839 7.562 1.00 0.00 N ATOM 797 CA ALA A 54 -0.328 8.810 7.413 1.00 0.00 C ATOM 798 C ALA A 54 0.139 7.483 8.002 1.00 0.00 C ATOM 799 O ALA A 54 -0.206 6.414 7.500 1.00 0.00 O ATOM 800 CB ALA A 54 -0.695 8.639 5.947 1.00 0.00 C ATOM 0 H ALA A 54 1.322 9.929 6.763 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.213 9.130 7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.459 7.868 5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.079 9.581 5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.190 8.346 5.382 1.00 0.00 H new ATOM 806 N GLY A 55 0.928 7.559 9.070 1.00 0.00 N ATOM 807 CA GLY A 55 1.430 6.357 9.709 1.00 0.00 C ATOM 808 C GLY A 55 2.249 5.498 8.766 1.00 0.00 C ATOM 809 O GLY A 55 2.400 4.295 8.982 1.00 0.00 O ATOM 0 H GLY A 55 1.228 8.432 9.504 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.042 6.634 10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.591 5.775 10.090 1.00 0.00 H new ATOM 813 N LEU A 56 2.778 6.115 7.715 1.00 0.00 N ATOM 814 CA LEU A 56 3.585 5.399 6.733 1.00 0.00 C ATOM 815 C LEU A 56 4.974 5.096 7.287 1.00 0.00 C ATOM 816 O LEU A 56 5.724 6.006 7.643 1.00 0.00 O ATOM 817 CB LEU A 56 3.704 6.218 5.447 1.00 0.00 C ATOM 818 CG LEU A 56 3.962 5.423 4.166 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.757 4.561 3.822 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.297 6.360 3.015 1.00 0.00 C ATOM 0 H LEU A 56 2.663 7.110 7.521 1.00 0.00 H new ATOM 0 HA LEU A 56 3.089 4.454 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.785 6.789 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.512 6.939 5.572 1.00 0.00 H new ATOM 0 HG LEU A 56 4.816 4.767 4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.958 4.002 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.563 3.864 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.885 5.198 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.478 5.777 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.463 7.042 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.191 6.934 3.261 1.00 0.00 H new ATOM 832 N LEU A 57 5.310 3.813 7.355 1.00 0.00 N ATOM 833 CA LEU A 57 6.611 3.389 7.864 1.00 0.00 C ATOM 834 C LEU A 57 7.420 2.692 6.775 1.00 0.00 C ATOM 835 O LEU A 57 6.889 2.342 5.721 1.00 0.00 O ATOM 836 CB LEU A 57 6.432 2.454 9.061 1.00 0.00 C ATOM 837 CG LEU A 57 6.325 3.128 10.429 1.00 0.00 C ATOM 838 CD1 LEU A 57 4.874 3.443 10.757 1.00 0.00 C ATOM 839 CD2 LEU A 57 6.939 2.247 11.507 1.00 0.00 C ATOM 0 H LEU A 57 4.701 3.048 7.065 1.00 0.00 H new ATOM 0 HA LEU A 57 7.156 4.277 8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.533 1.859 8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.273 1.761 9.084 1.00 0.00 H new ATOM 0 HG LEU A 57 6.880 4.066 10.395 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.818 3.922 11.734 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.467 4.113 10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.296 2.519 10.772 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.854 2.743 12.474 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.413 1.293 11.541 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.991 2.073 11.280 1.00 0.00 H new ATOM 851 N ASP A 58 8.706 2.491 7.039 1.00 0.00 N ATOM 852 CA ASP A 58 9.589 1.832 6.083 1.00 0.00 C ATOM 853 C ASP A 58 9.267 0.344 5.983 1.00 0.00 C ATOM 854 O ASP A 58 9.058 -0.325 6.994 1.00 0.00 O ATOM 855 CB ASP A 58 11.050 2.025 6.489 1.00 0.00 C ATOM 856 CG ASP A 58 11.502 1.014 7.525 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.562 -0.189 7.194 1.00 0.00 O ATOM 858 OD2 ASP A 58 11.796 1.426 8.666 1.00 0.00 O ATOM 0 H ASP A 58 9.161 2.775 7.907 1.00 0.00 H new ATOM 0 HA ASP A 58 9.430 2.286 5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.683 1.943 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.184 3.032 6.885 1.00 0.00 H new ATOM 863 N GLY A 59 9.229 -0.168 4.757 1.00 0.00 N ATOM 864 CA GLY A 59 8.932 -1.573 4.548 1.00 0.00 C ATOM 865 C GLY A 59 7.442 -1.850 4.505 1.00 0.00 C ATOM 866 O GLY A 59 7.017 -2.934 4.107 1.00 0.00 O ATOM 0 H GLY A 59 9.399 0.365 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.387 -1.902 3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.385 -2.160 5.347 1.00 0.00 H new ATOM 870 N ASP A 60 6.647 -0.868 4.917 1.00 0.00 N ATOM 871 CA ASP A 60 5.196 -1.011 4.925 1.00 0.00 C ATOM 872 C ASP A 60 4.689 -1.480 3.564 1.00 0.00 C ATOM 873 O ASP A 60 5.024 -0.898 2.532 1.00 0.00 O ATOM 874 CB ASP A 60 4.533 0.315 5.301 1.00 0.00 C ATOM 875 CG ASP A 60 4.546 0.564 6.797 1.00 0.00 C ATOM 876 OD1 ASP A 60 5.470 0.066 7.473 1.00 0.00 O ATOM 877 OD2 ASP A 60 3.631 1.257 7.291 1.00 0.00 O ATOM 0 H ASP A 60 6.983 0.036 5.250 1.00 0.00 H new ATOM 0 HA ASP A 60 4.934 -1.763 5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.048 1.132 4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.503 0.317 4.944 1.00 0.00 H new ATOM 882 N ARG A 61 3.881 -2.535 3.571 1.00 0.00 N ATOM 883 CA ARG A 61 3.330 -3.083 2.337 1.00 0.00 C ATOM 884 C ARG A 61 1.976 -2.454 2.021 1.00 0.00 C ATOM 885 O ARG A 61 1.053 -2.502 2.833 1.00 0.00 O ATOM 886 CB ARG A 61 3.186 -4.602 2.448 1.00 0.00 C ATOM 887 CG ARG A 61 4.415 -5.366 1.984 1.00 0.00 C ATOM 888 CD ARG A 61 5.606 -5.112 2.895 1.00 0.00 C ATOM 889 NE ARG A 61 6.555 -6.222 2.877 1.00 0.00 N ATOM 890 CZ ARG A 61 6.371 -7.357 3.543 1.00 0.00 C ATOM 891 NH1 ARG A 61 5.279 -7.531 4.274 1.00 0.00 N ATOM 892 NH2 ARG A 61 7.280 -8.321 3.476 1.00 0.00 N ATOM 0 H ARG A 61 3.593 -3.027 4.417 1.00 0.00 H new ATOM 0 HA ARG A 61 4.019 -2.849 1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.976 -4.864 3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.326 -4.921 1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.194 -6.433 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.665 -5.070 0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.112 -4.198 2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.255 -4.952 3.914 1.00 0.00 H new ATOM 0 HE ARG A 61 7.405 -6.120 2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.577 -6.793 4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.140 -8.403 4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.121 -8.191 2.913 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.138 -9.192 3.987 1.00 0.00 H new ATOM 906 N VAL A 62 1.866 -1.865 0.834 1.00 0.00 N ATOM 907 CA VAL A 62 0.626 -1.227 0.410 1.00 0.00 C ATOM 908 C VAL A 62 -0.303 -2.229 -0.268 1.00 0.00 C ATOM 909 O VAL A 62 -0.246 -2.422 -1.483 1.00 0.00 O ATOM 910 CB VAL A 62 0.897 -0.060 -0.558 1.00 0.00 C ATOM 911 CG1 VAL A 62 1.733 -0.529 -1.739 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.411 0.555 -1.031 1.00 0.00 C ATOM 0 H VAL A 62 2.621 -1.817 0.150 1.00 0.00 H new ATOM 0 HA VAL A 62 0.146 -0.840 1.309 1.00 0.00 H new ATOM 0 HB VAL A 62 1.461 0.707 -0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.914 0.309 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.685 -0.918 -1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.199 -1.315 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.200 1.378 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.003 -0.201 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.968 0.930 -0.172 1.00 0.00 H new ATOM 922 N LEU A 63 -1.159 -2.863 0.526 1.00 0.00 N ATOM 923 CA LEU A 63 -2.102 -3.846 0.003 1.00 0.00 C ATOM 924 C LEU A 63 -2.731 -3.359 -1.299 1.00 0.00 C ATOM 925 O LEU A 63 -2.666 -4.038 -2.323 1.00 0.00 O ATOM 926 CB LEU A 63 -3.195 -4.132 1.035 1.00 0.00 C ATOM 927 CG LEU A 63 -2.714 -4.571 2.418 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.713 -4.157 3.487 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.487 -6.075 2.451 1.00 0.00 C ATOM 0 H LEU A 63 -1.220 -2.714 1.533 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.554 -4.766 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.801 -3.233 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.849 -4.908 0.637 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.765 -4.076 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.354 -4.478 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.825 -3.073 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.677 -4.623 3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.145 -6.370 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.420 -6.589 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.733 -6.345 1.712 1.00 0.00 H new ATOM 941 N ARG A 64 -3.337 -2.177 -1.251 1.00 0.00 N ATOM 942 CA ARG A 64 -3.976 -1.598 -2.426 1.00 0.00 C ATOM 943 C ARG A 64 -3.620 -0.122 -2.568 1.00 0.00 C ATOM 944 O ARG A 64 -3.389 0.569 -1.575 1.00 0.00 O ATOM 945 CB ARG A 64 -5.495 -1.761 -2.340 1.00 0.00 C ATOM 946 CG ARG A 64 -5.932 -2.997 -1.570 1.00 0.00 C ATOM 947 CD ARG A 64 -7.444 -3.056 -1.423 1.00 0.00 C ATOM 948 NE ARG A 64 -8.075 -3.770 -2.530 1.00 0.00 N ATOM 949 CZ ARG A 64 -9.372 -3.701 -2.805 1.00 0.00 C ATOM 950 NH1 ARG A 64 -10.173 -2.954 -2.057 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.872 -4.380 -3.829 1.00 0.00 N ATOM 0 H ARG A 64 -3.399 -1.602 -0.411 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.609 -2.128 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.920 -0.877 -1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.905 -1.808 -3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.580 -3.891 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.469 -2.995 -0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.698 -3.547 -0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.843 -2.043 -1.371 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.487 -4.354 -3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.793 -2.431 -1.268 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.169 -2.903 -2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.260 -4.956 -4.406 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.869 -4.326 -4.039 1.00 0.00 H new ATOM 965 N ILE A 65 -3.576 0.355 -3.807 1.00 0.00 N ATOM 966 CA ILE A 65 -3.249 1.750 -4.077 1.00 0.00 C ATOM 967 C ILE A 65 -4.483 2.529 -4.520 1.00 0.00 C ATOM 968 O ILE A 65 -5.126 2.182 -5.509 1.00 0.00 O ATOM 969 CB ILE A 65 -2.162 1.872 -5.162 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.358 3.160 -4.966 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.790 1.839 -6.547 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.218 4.401 -4.880 1.00 0.00 C ATOM 0 H ILE A 65 -3.763 -0.204 -4.640 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.872 2.172 -3.146 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.483 1.024 -5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.766 3.074 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.656 3.270 -5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.009 1.926 -7.303 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.323 0.898 -6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.489 2.669 -6.650 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.582 5.275 -4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.791 4.511 -5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.902 4.312 -4.036 1.00 0.00 H new ATOM 984 N ASN A 66 -4.806 3.585 -3.780 1.00 0.00 N ATOM 985 CA ASN A 66 -5.962 4.415 -4.097 1.00 0.00 C ATOM 986 C ASN A 66 -7.226 3.567 -4.209 1.00 0.00 C ATOM 987 O ASN A 66 -8.158 3.916 -4.931 1.00 0.00 O ATOM 988 CB ASN A 66 -5.728 5.176 -5.403 1.00 0.00 C ATOM 989 CG ASN A 66 -6.503 6.477 -5.462 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.627 6.521 -5.962 1.00 0.00 O ATOM 991 ND2 ASN A 66 -5.905 7.546 -4.949 1.00 0.00 N ATOM 0 H ASN A 66 -4.284 3.886 -2.957 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.096 5.131 -3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.664 5.385 -5.512 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.017 4.546 -6.244 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.378 8.449 -4.960 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.972 7.464 -4.544 1.00 0.00 H new ATOM 998 N GLY A 67 -7.249 2.451 -3.487 1.00 0.00 N ATOM 999 CA GLY A 67 -8.402 1.571 -3.519 1.00 0.00 C ATOM 1000 C GLY A 67 -8.342 0.577 -4.662 1.00 0.00 C ATOM 1001 O GLY A 67 -9.369 0.224 -5.242 1.00 0.00 O ATOM 0 H GLY A 67 -6.490 2.141 -2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.469 1.030 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.309 2.169 -3.609 1.00 0.00 H new ATOM 1005 N VAL A 68 -7.136 0.125 -4.989 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.945 -0.834 -6.070 1.00 0.00 C ATOM 1007 C VAL A 68 -5.867 -1.853 -5.719 1.00 0.00 C ATOM 1008 O VAL A 68 -4.725 -1.491 -5.437 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.560 -0.128 -7.384 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -6.415 -1.139 -8.511 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.589 0.935 -7.739 1.00 0.00 C ATOM 0 H VAL A 68 -6.276 0.408 -4.520 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.896 -1.349 -6.207 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.597 0.364 -7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.143 -0.622 -9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.638 -1.859 -8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.361 -1.662 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.301 1.424 -8.670 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.567 0.469 -7.861 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.637 1.675 -6.941 1.00 0.00 H new ATOM 1021 N PHE A 69 -6.238 -3.128 -5.738 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.303 -4.201 -5.420 1.00 0.00 C ATOM 1023 C PHE A 69 -4.105 -4.177 -6.366 1.00 0.00 C ATOM 1024 O PHE A 69 -4.242 -4.421 -7.564 1.00 0.00 O ATOM 1025 CB PHE A 69 -6.004 -5.559 -5.502 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.254 -6.663 -4.813 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -4.860 -6.531 -3.491 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.945 -7.834 -5.487 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.170 -7.545 -2.855 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.255 -8.852 -4.856 1.00 0.00 C ATOM 1031 CZ PHE A 69 -3.868 -8.708 -3.538 1.00 0.00 C ATOM 0 H PHE A 69 -7.180 -3.444 -5.970 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.944 -4.046 -4.403 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.997 -5.474 -5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.144 -5.824 -6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.095 -5.625 -2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.247 -7.952 -6.517 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.867 -7.429 -1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.019 -9.759 -5.393 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.330 -9.503 -3.042 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.932 -3.879 -5.817 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.710 -3.822 -6.610 1.00 0.00 C ATOM 1043 C VAL A 70 -0.671 -4.809 -6.090 1.00 0.00 C ATOM 1044 O VAL A 70 0.465 -4.435 -5.798 1.00 0.00 O ATOM 1045 CB VAL A 70 -1.103 -2.407 -6.607 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -2.029 -1.428 -7.313 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.820 -1.952 -5.183 1.00 0.00 C ATOM 0 H VAL A 70 -2.802 -3.673 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.983 -4.090 -7.631 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.158 -2.434 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.584 -0.433 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.177 -1.747 -8.345 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.990 -1.402 -6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.391 -0.950 -5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.749 -1.940 -4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.116 -2.640 -4.714 1.00 0.00 H new ATOM 1057 N ASP A 71 -1.067 -6.072 -5.976 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.170 -7.115 -5.492 1.00 0.00 C ATOM 1059 C ASP A 71 0.566 -7.780 -6.651 1.00 0.00 C ATOM 1060 O ASP A 71 1.779 -7.983 -6.596 1.00 0.00 O ATOM 1061 CB ASP A 71 -0.952 -8.163 -4.700 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.089 -8.883 -3.682 1.00 0.00 C ATOM 1063 OD1 ASP A 71 0.616 -9.837 -4.071 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -0.119 -8.492 -2.496 1.00 0.00 O ATOM 0 H ASP A 71 -2.004 -6.398 -6.212 1.00 0.00 H new ATOM 0 HA ASP A 71 0.566 -6.651 -4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.785 -7.681 -4.189 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.379 -8.891 -5.390 1.00 0.00 H new ATOM 1069 N LYS A 72 -0.176 -8.118 -7.700 1.00 0.00 N ATOM 1070 CA LYS A 72 0.404 -8.760 -8.874 1.00 0.00 C ATOM 1071 C LYS A 72 0.894 -7.720 -9.876 1.00 0.00 C ATOM 1072 O LYS A 72 1.745 -8.009 -10.717 1.00 0.00 O ATOM 1073 CB LYS A 72 -0.624 -9.679 -9.538 1.00 0.00 C ATOM 1074 CG LYS A 72 -0.127 -10.317 -10.824 1.00 0.00 C ATOM 1075 CD LYS A 72 0.863 -11.435 -10.546 1.00 0.00 C ATOM 1076 CE LYS A 72 1.819 -11.635 -11.712 1.00 0.00 C ATOM 1077 NZ LYS A 72 2.370 -13.018 -11.746 1.00 0.00 N ATOM 0 H LYS A 72 -1.181 -7.958 -7.761 1.00 0.00 H new ATOM 0 HA LYS A 72 1.257 -9.355 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.903 -10.465 -8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.527 -9.107 -9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.974 -10.711 -11.386 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.345 -9.559 -11.448 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.430 -11.204 -9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.322 -12.362 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.299 -11.428 -12.647 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.638 -10.919 -11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.017 -13.114 -12.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.888 -13.207 -10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.591 -13.700 -11.843 1.00 0.00 H new ATOM 1091 N GLU A 73 0.353 -6.510 -9.779 1.00 0.00 N ATOM 1092 CA GLU A 73 0.737 -5.428 -10.678 1.00 0.00 C ATOM 1093 C GLU A 73 2.240 -5.171 -10.609 1.00 0.00 C ATOM 1094 O GLU A 73 2.908 -5.587 -9.664 1.00 0.00 O ATOM 1095 CB GLU A 73 -0.026 -4.149 -10.328 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.525 -4.254 -10.552 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.884 -4.463 -12.010 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.669 -5.582 -12.520 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -2.381 -3.506 -12.641 1.00 0.00 O ATOM 0 H GLU A 73 -0.352 -6.254 -9.088 1.00 0.00 H new ATOM 0 HA GLU A 73 0.483 -5.728 -11.695 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.160 -3.899 -9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.366 -3.327 -10.927 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.920 -5.082 -9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.007 -3.346 -10.190 1.00 0.00 H new ATOM 1106 N GLU A 74 2.764 -4.484 -11.620 1.00 0.00 N ATOM 1107 CA GLU A 74 4.188 -4.173 -11.674 1.00 0.00 C ATOM 1108 C GLU A 74 4.475 -2.820 -11.030 1.00 0.00 C ATOM 1109 O GLU A 74 3.596 -1.961 -10.946 1.00 0.00 O ATOM 1110 CB GLU A 74 4.677 -4.174 -13.124 1.00 0.00 C ATOM 1111 CG GLU A 74 5.148 -5.535 -13.607 1.00 0.00 C ATOM 1112 CD GLU A 74 5.031 -5.694 -15.110 1.00 0.00 C ATOM 1113 OE1 GLU A 74 3.932 -5.449 -15.649 1.00 0.00 O ATOM 1114 OE2 GLU A 74 6.040 -6.062 -15.748 1.00 0.00 O ATOM 0 H GLU A 74 2.225 -4.133 -12.411 1.00 0.00 H new ATOM 0 HA GLU A 74 4.723 -4.941 -11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.871 -3.828 -13.771 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.494 -3.460 -13.223 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.186 -5.682 -13.310 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.563 -6.313 -13.117 1.00 0.00 H new ATOM 1121 N HIS A 75 5.710 -2.638 -10.575 1.00 0.00 N ATOM 1122 CA HIS A 75 6.114 -1.390 -9.937 1.00 0.00 C ATOM 1123 C HIS A 75 5.662 -0.188 -10.761 1.00 0.00 C ATOM 1124 O HIS A 75 5.378 0.878 -10.217 1.00 0.00 O ATOM 1125 CB HIS A 75 7.631 -1.355 -9.752 1.00 0.00 C ATOM 1126 CG HIS A 75 8.173 0.019 -9.501 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.569 0.922 -8.651 1.00 0.00 N ATOM 1128 CD2 HIS A 75 9.269 0.642 -9.992 1.00 0.00 C ATOM 1129 CE1 HIS A 75 8.270 2.041 -8.632 1.00 0.00 C ATOM 1130 NE2 HIS A 75 9.307 1.897 -9.436 1.00 0.00 N ATOM 0 H HIS A 75 6.449 -3.339 -10.636 1.00 0.00 H new ATOM 0 HA HIS A 75 5.635 -1.339 -8.959 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.902 -2.001 -8.917 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.107 -1.767 -10.642 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.981 0.229 -10.691 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.035 2.924 -8.056 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.021 2.603 -9.615 1.00 0.00 H new ATOM 1139 N ALA A 76 5.599 -0.369 -12.077 1.00 0.00 N ATOM 1140 CA ALA A 76 5.181 0.700 -12.975 1.00 0.00 C ATOM 1141 C ALA A 76 3.669 0.892 -12.933 1.00 0.00 C ATOM 1142 O ALA A 76 3.171 2.003 -13.114 1.00 0.00 O ATOM 1143 CB ALA A 76 5.638 0.405 -14.396 1.00 0.00 C ATOM 0 H ALA A 76 5.832 -1.245 -12.544 1.00 0.00 H new ATOM 0 HA ALA A 76 5.648 1.626 -12.640 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.319 1.212 -15.056 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.725 0.325 -14.420 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.198 -0.534 -14.732 1.00 0.00 H new ATOM 1149 N GLN A 77 2.945 -0.197 -12.695 1.00 0.00 N ATOM 1150 CA GLN A 77 1.489 -0.147 -12.631 1.00 0.00 C ATOM 1151 C GLN A 77 1.024 0.667 -11.428 1.00 0.00 C ATOM 1152 O GLN A 77 0.008 1.358 -11.488 1.00 0.00 O ATOM 1153 CB GLN A 77 0.912 -1.561 -12.559 1.00 0.00 C ATOM 1154 CG GLN A 77 0.631 -2.174 -13.922 1.00 0.00 C ATOM 1155 CD GLN A 77 -0.265 -1.303 -14.780 1.00 0.00 C ATOM 1156 OE1 GLN A 77 0.082 -0.958 -15.910 1.00 0.00 O ATOM 1157 NE2 GLN A 77 -1.427 -0.942 -14.247 1.00 0.00 N ATOM 0 H GLN A 77 3.343 -1.124 -12.543 1.00 0.00 H new ATOM 0 HA GLN A 77 1.127 0.340 -13.537 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.609 -2.202 -12.018 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.013 -1.538 -11.983 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.574 -2.342 -14.442 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.163 -3.149 -13.788 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.675 -1.251 -13.307 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.072 -0.356 -14.778 1.00 0.00 H new ATOM 1166 N VAL A 78 1.776 0.578 -10.334 1.00 0.00 N ATOM 1167 CA VAL A 78 1.441 1.307 -9.116 1.00 0.00 C ATOM 1168 C VAL A 78 1.841 2.774 -9.226 1.00 0.00 C ATOM 1169 O VAL A 78 0.988 3.662 -9.240 1.00 0.00 O ATOM 1170 CB VAL A 78 2.130 0.688 -7.886 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.714 1.418 -6.617 1.00 0.00 C ATOM 1172 CG2 VAL A 78 1.811 -0.796 -7.786 1.00 0.00 C ATOM 0 H VAL A 78 2.620 0.009 -10.267 1.00 0.00 H new ATOM 0 HA VAL A 78 0.360 1.238 -8.991 1.00 0.00 H new ATOM 0 HB VAL A 78 3.208 0.797 -8.003 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.211 0.967 -5.758 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.999 2.467 -6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.634 1.343 -6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.306 -1.216 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.733 -0.931 -7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.164 -1.305 -8.683 1.00 0.00 H new ATOM 1182 N VAL A 79 3.145 3.022 -9.303 1.00 0.00 N ATOM 1183 CA VAL A 79 3.659 4.382 -9.413 1.00 0.00 C ATOM 1184 C VAL A 79 2.739 5.250 -10.264 1.00 0.00 C ATOM 1185 O VAL A 79 2.389 6.364 -9.878 1.00 0.00 O ATOM 1186 CB VAL A 79 5.073 4.399 -10.023 1.00 0.00 C ATOM 1187 CG1 VAL A 79 5.067 3.765 -11.405 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.610 5.822 -10.083 1.00 0.00 C ATOM 0 H VAL A 79 3.864 2.299 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 79 3.703 4.787 -8.402 1.00 0.00 H new ATOM 0 HB VAL A 79 5.732 3.812 -9.383 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.075 3.786 -11.820 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.727 2.732 -11.330 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.394 4.321 -12.058 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.610 5.816 -10.517 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.951 6.434 -10.699 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.654 6.237 -9.076 1.00 0.00 H new ATOM 1198 N GLU A 80 2.352 4.731 -11.425 1.00 0.00 N ATOM 1199 CA GLU A 80 1.472 5.459 -12.332 1.00 0.00 C ATOM 1200 C GLU A 80 0.148 5.796 -11.652 1.00 0.00 C ATOM 1201 O GLU A 80 -0.281 6.950 -11.640 1.00 0.00 O ATOM 1202 CB GLU A 80 1.214 4.639 -13.597 1.00 0.00 C ATOM 1203 CG GLU A 80 0.357 5.359 -14.625 1.00 0.00 C ATOM 1204 CD GLU A 80 -1.124 5.097 -14.435 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -1.490 4.454 -13.429 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -1.918 5.535 -15.294 1.00 0.00 O ATOM 0 H GLU A 80 2.634 3.810 -11.760 1.00 0.00 H new ATOM 0 HA GLU A 80 1.967 6.390 -12.607 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.170 4.378 -14.052 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.726 3.704 -13.321 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.544 6.431 -14.562 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.653 5.043 -15.625 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.495 4.780 -11.087 1.00 0.00 N ATOM 1214 CA LEU A 81 -1.771 4.966 -10.405 1.00 0.00 C ATOM 1215 C LEU A 81 -1.672 6.071 -9.357 1.00 0.00 C ATOM 1216 O LEU A 81 -2.582 6.887 -9.213 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.214 3.660 -9.744 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.762 2.585 -10.684 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.480 1.197 -10.130 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -4.256 2.780 -10.903 1.00 0.00 C ATOM 0 H LEU A 81 -0.154 3.819 -11.088 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.512 5.260 -11.148 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.364 3.243 -9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.980 3.892 -9.004 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.258 2.679 -11.646 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.877 0.445 -10.812 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.404 1.059 -10.025 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.957 1.090 -9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.629 2.007 -11.574 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.776 2.713 -9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.434 3.760 -11.345 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.560 6.092 -8.630 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.340 7.098 -7.598 1.00 0.00 C ATOM 1234 C VAL A 82 -0.390 8.505 -8.183 1.00 0.00 C ATOM 1235 O VAL A 82 -0.760 9.460 -7.499 1.00 0.00 O ATOM 1236 CB VAL A 82 1.015 6.895 -6.895 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.204 7.925 -5.791 1.00 0.00 C ATOM 1238 CG2 VAL A 82 1.120 5.482 -6.341 1.00 0.00 C ATOM 0 H VAL A 82 0.203 5.424 -8.737 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.141 6.982 -6.868 1.00 0.00 H new ATOM 0 HB VAL A 82 1.810 7.034 -7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.167 7.766 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.175 8.927 -6.219 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.406 7.821 -5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.084 5.355 -5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.319 5.313 -5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.033 4.764 -7.157 1.00 0.00 H new ATOM 1248 N ARG A 83 -0.016 8.626 -9.452 1.00 0.00 N ATOM 1249 CA ARG A 83 -0.018 9.917 -10.130 1.00 0.00 C ATOM 1250 C ARG A 83 -1.438 10.335 -10.500 1.00 0.00 C ATOM 1251 O ARG A 83 -1.916 11.390 -10.082 1.00 0.00 O ATOM 1252 CB ARG A 83 0.852 9.858 -11.387 1.00 0.00 C ATOM 1253 CG ARG A 83 2.325 9.620 -11.098 1.00 0.00 C ATOM 1254 CD ARG A 83 3.208 10.196 -12.194 1.00 0.00 C ATOM 1255 NE ARG A 83 3.361 11.643 -12.070 1.00 0.00 N ATOM 1256 CZ ARG A 83 4.321 12.335 -12.674 1.00 0.00 C ATOM 1257 NH1 ARG A 83 5.208 11.715 -13.440 1.00 0.00 N ATOM 1258 NH2 ARG A 83 4.394 13.650 -12.513 1.00 0.00 N ATOM 0 H ARG A 83 0.292 7.846 -10.032 1.00 0.00 H new ATOM 0 HA ARG A 83 0.394 10.659 -9.446 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.485 9.063 -12.036 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.745 10.793 -11.937 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.587 10.073 -10.142 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.510 8.550 -11.005 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.189 9.723 -12.155 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.779 9.959 -13.167 1.00 0.00 H new ATOM 0 HE ARG A 83 2.694 12.150 -11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.154 10.704 -13.567 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.944 12.249 -13.903 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.713 14.130 -11.925 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.131 14.180 -12.977 1.00 0.00 H new ATOM 1272 N LYS A 84 -2.109 9.501 -11.287 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.474 9.781 -11.714 1.00 0.00 C ATOM 1274 C LYS A 84 -4.407 9.894 -10.513 1.00 0.00 C ATOM 1275 O LYS A 84 -5.460 10.528 -10.590 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.971 8.684 -12.658 1.00 0.00 C ATOM 1277 CG LYS A 84 -4.031 7.310 -12.015 1.00 0.00 C ATOM 1278 CD LYS A 84 -4.131 6.210 -13.059 1.00 0.00 C ATOM 1279 CE LYS A 84 -5.487 6.216 -13.747 1.00 0.00 C ATOM 1280 NZ LYS A 84 -5.725 4.962 -14.515 1.00 0.00 N ATOM 0 H LYS A 84 -1.728 8.624 -11.642 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.474 10.734 -12.243 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.964 8.950 -13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.316 8.641 -13.528 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.142 7.154 -11.404 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.890 7.257 -11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.344 6.340 -13.802 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.966 5.242 -12.586 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.272 6.340 -13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.549 7.071 -14.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.660 5.005 -14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.991 4.857 -15.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.691 4.148 -13.869 1.00 0.00 H new ATOM 1294 N SER A 85 -4.014 9.276 -9.404 1.00 0.00 N ATOM 1295 CA SER A 85 -4.817 9.305 -8.187 1.00 0.00 C ATOM 1296 C SER A 85 -5.349 10.710 -7.921 1.00 0.00 C ATOM 1297 O SER A 85 -6.521 10.890 -7.594 1.00 0.00 O ATOM 1298 CB SER A 85 -3.989 8.826 -6.993 1.00 0.00 C ATOM 1299 OG SER A 85 -3.926 7.411 -6.951 1.00 0.00 O ATOM 0 H SER A 85 -3.144 8.749 -9.323 1.00 0.00 H new ATOM 0 HA SER A 85 -5.665 8.634 -8.324 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.981 9.236 -7.057 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.428 9.201 -6.068 1.00 0.00 H new ATOM 0 HG SER A 85 -3.368 7.086 -7.688 1.00 0.00 H new ATOM 1305 N GLY A 86 -4.477 11.703 -8.063 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.876 13.080 -7.834 1.00 0.00 C ATOM 1307 C GLY A 86 -4.075 13.739 -6.729 1.00 0.00 C ATOM 1308 O GLY A 86 -3.138 13.148 -6.195 1.00 0.00 O ATOM 0 H GLY A 86 -3.501 11.579 -8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.754 13.649 -8.756 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.935 13.111 -7.579 1.00 0.00 H new ATOM 1312 N ASN A 87 -4.444 14.970 -6.387 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.751 15.712 -5.340 1.00 0.00 C ATOM 1314 C ASN A 87 -3.647 14.883 -4.064 1.00 0.00 C ATOM 1315 O ASN A 87 -2.671 14.989 -3.321 1.00 0.00 O ATOM 1316 CB ASN A 87 -4.479 17.026 -5.050 1.00 0.00 C ATOM 1317 CG ASN A 87 -4.391 18.003 -6.206 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -5.369 18.230 -6.919 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -3.214 18.588 -6.397 1.00 0.00 N ATOM 0 H ASN A 87 -5.218 15.474 -6.819 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.743 15.933 -5.692 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.527 16.818 -4.833 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.054 17.484 -4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.094 19.255 -7.159 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.430 18.370 -5.782 1.00 0.00 H new ATOM 1326 N SER A 88 -4.658 14.057 -3.817 1.00 0.00 N ATOM 1327 CA SER A 88 -4.683 13.211 -2.629 1.00 0.00 C ATOM 1328 C SER A 88 -4.648 11.735 -3.012 1.00 0.00 C ATOM 1329 O SER A 88 -5.424 11.281 -3.853 1.00 0.00 O ATOM 1330 CB SER A 88 -5.931 13.504 -1.794 1.00 0.00 C ATOM 1331 OG SER A 88 -5.941 14.848 -1.346 1.00 0.00 O ATOM 0 H SER A 88 -5.471 13.955 -4.424 1.00 0.00 H new ATOM 0 HA SER A 88 -3.797 13.435 -2.035 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.824 13.309 -2.388 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.965 12.831 -0.937 1.00 0.00 H new ATOM 0 HG SER A 88 -6.749 15.010 -0.816 1.00 0.00 H new ATOM 1337 N VAL A 89 -3.740 10.990 -2.389 1.00 0.00 N ATOM 1338 CA VAL A 89 -3.603 9.564 -2.663 1.00 0.00 C ATOM 1339 C VAL A 89 -3.843 8.737 -1.405 1.00 0.00 C ATOM 1340 O VAL A 89 -3.446 9.128 -0.306 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.208 9.232 -3.224 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.095 7.746 -3.529 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -1.922 10.063 -4.466 1.00 0.00 C ATOM 0 H VAL A 89 -3.089 11.350 -1.692 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.356 9.311 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.463 9.481 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.102 7.530 -3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.254 7.174 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.848 7.468 -4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.932 9.816 -4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.671 9.847 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.958 11.122 -4.211 1.00 0.00 H new ATOM 1353 N THR A 90 -4.495 7.591 -1.572 1.00 0.00 N ATOM 1354 CA THR A 90 -4.789 6.708 -0.450 1.00 0.00 C ATOM 1355 C THR A 90 -3.978 5.421 -0.536 1.00 0.00 C ATOM 1356 O THR A 90 -3.790 4.865 -1.619 1.00 0.00 O ATOM 1357 CB THR A 90 -6.287 6.355 -0.390 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.076 7.545 -0.495 1.00 0.00 O ATOM 1359 CG2 THR A 90 -6.621 5.632 0.906 1.00 0.00 C ATOM 0 H THR A 90 -4.830 7.252 -2.474 1.00 0.00 H new ATOM 0 HA THR A 90 -4.514 7.247 0.457 1.00 0.00 H new ATOM 0 HB THR A 90 -6.515 5.694 -1.226 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.027 7.311 -0.458 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.684 5.393 0.926 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.041 4.711 0.969 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.377 6.273 1.753 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.499 4.951 0.610 1.00 0.00 N ATOM 1368 CA LEU A 91 -2.708 3.726 0.664 1.00 0.00 C ATOM 1369 C LEU A 91 -3.080 2.891 1.885 1.00 0.00 C ATOM 1370 O LEU A 91 -3.358 3.428 2.958 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.215 4.061 0.698 1.00 0.00 C ATOM 1372 CG LEU A 91 -0.704 4.962 -0.428 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.552 5.700 0.008 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -0.437 4.146 -1.684 1.00 0.00 C ATOM 0 H LEU A 91 -3.644 5.399 1.515 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.924 3.144 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.992 4.542 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.653 3.128 0.673 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.474 5.700 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.901 6.336 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.328 6.315 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.328 4.978 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.074 4.803 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.314 3.385 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.360 3.664 -2.008 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.082 1.573 1.714 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.418 0.662 2.803 1.00 0.00 C ATOM 1388 C LEU A 92 -2.201 -0.154 3.225 1.00 0.00 C ATOM 1389 O LEU A 92 -1.751 -1.040 2.498 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.552 -0.274 2.379 1.00 0.00 C ATOM 1391 CG LEU A 92 -5.910 0.384 2.137 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -6.831 -0.556 1.374 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.544 0.800 3.456 1.00 0.00 C ATOM 0 H LEU A 92 -2.855 1.112 0.833 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.746 1.258 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.251 -0.786 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.672 -1.038 3.147 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.756 1.278 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.793 -0.070 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.382 -0.804 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.979 -1.469 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.510 1.267 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.684 -0.079 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.893 1.511 3.965 1.00 0.00 H new ATOM 1405 N VAL A 93 -1.673 0.148 4.407 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.510 -0.559 4.929 1.00 0.00 C ATOM 1407 C VAL A 93 -0.915 -1.578 5.988 1.00 0.00 C ATOM 1408 O VAL A 93 -1.719 -1.282 6.874 1.00 0.00 O ATOM 1409 CB VAL A 93 0.515 0.417 5.536 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.996 1.407 4.487 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.085 1.143 6.731 1.00 0.00 C ATOM 0 H VAL A 93 -2.033 0.878 5.021 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.052 -1.078 4.087 1.00 0.00 H new ATOM 0 HB VAL A 93 1.376 -0.155 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.720 2.088 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.466 0.867 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.147 1.977 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.653 1.829 7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.963 1.705 6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.375 0.416 7.490 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.355 -2.778 5.892 1.00 0.00 N ATOM 1422 CA LEU A 94 -0.657 -3.842 6.843 1.00 0.00 C ATOM 1423 C LEU A 94 0.547 -4.136 7.733 1.00 0.00 C ATOM 1424 O LEU A 94 1.691 -3.907 7.341 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.079 -5.112 6.101 1.00 0.00 C ATOM 1426 CG LEU A 94 -1.860 -6.139 6.920 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.274 -5.646 7.186 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -1.888 -7.482 6.204 1.00 0.00 C ATOM 0 H LEU A 94 0.311 -3.039 5.165 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.479 -3.507 7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.687 -4.823 5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.184 -5.594 5.709 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.357 -6.270 7.878 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.815 -6.390 7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.234 -4.708 7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.788 -5.485 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.448 -8.201 6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.367 -7.366 5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.868 -7.842 6.065 1.00 0.00 H new ATOM 1440 N ASP A 95 0.280 -4.645 8.931 1.00 0.00 N ATOM 1441 CA ASP A 95 1.342 -4.973 9.875 1.00 0.00 C ATOM 1442 C ASP A 95 2.059 -6.255 9.463 1.00 0.00 C ATOM 1443 O ASP A 95 1.457 -7.155 8.879 1.00 0.00 O ATOM 1444 CB ASP A 95 0.770 -5.125 11.285 1.00 0.00 C ATOM 1445 CG ASP A 95 1.747 -5.786 12.238 1.00 0.00 C ATOM 1446 OD1 ASP A 95 2.877 -5.274 12.377 1.00 0.00 O ATOM 1447 OD2 ASP A 95 1.381 -6.814 12.845 1.00 0.00 O ATOM 0 H ASP A 95 -0.662 -4.839 9.271 1.00 0.00 H new ATOM 0 HA ASP A 95 2.064 -4.157 9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.498 -4.143 11.671 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.146 -5.715 11.241 1.00 0.00 H new ATOM 1452 N GLY A 96 3.351 -6.329 9.769 1.00 0.00 N ATOM 1453 CA GLY A 96 4.129 -7.503 9.421 1.00 0.00 C ATOM 1454 C GLY A 96 3.460 -8.792 9.856 1.00 0.00 C ATOM 1455 O GLY A 96 3.162 -9.654 9.030 1.00 0.00 O ATOM 0 H GLY A 96 3.872 -5.597 10.252 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.286 -7.525 8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.113 -7.434 9.885 1.00 0.00 H new ATOM 1459 N ASP A 97 3.226 -8.925 11.157 1.00 0.00 N ATOM 1460 CA ASP A 97 2.588 -10.119 11.701 1.00 0.00 C ATOM 1461 C ASP A 97 1.354 -10.494 10.887 1.00 0.00 C ATOM 1462 O ASP A 97 1.259 -11.601 10.359 1.00 0.00 O ATOM 1463 CB ASP A 97 2.202 -9.895 13.164 1.00 0.00 C ATOM 1464 CG ASP A 97 3.242 -9.094 13.921 1.00 0.00 C ATOM 1465 OD1 ASP A 97 4.433 -9.466 13.865 1.00 0.00 O ATOM 1466 OD2 ASP A 97 2.866 -8.097 14.572 1.00 0.00 O ATOM 0 H ASP A 97 3.468 -8.221 11.854 1.00 0.00 H new ATOM 0 HA ASP A 97 3.302 -10.941 11.644 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.245 -9.376 13.209 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.065 -10.860 13.652 1.00 0.00 H new ATOM 1471 N SER A 98 0.409 -9.563 10.791 1.00 0.00 N ATOM 1472 CA SER A 98 -0.822 -9.798 10.046 1.00 0.00 C ATOM 1473 C SER A 98 -0.517 -10.279 8.631 1.00 0.00 C ATOM 1474 O SER A 98 -0.960 -11.352 8.219 1.00 0.00 O ATOM 1475 CB SER A 98 -1.662 -8.521 9.993 1.00 0.00 C ATOM 1476 OG SER A 98 -1.970 -8.058 11.297 1.00 0.00 O ATOM 0 H SER A 98 0.473 -8.640 11.220 1.00 0.00 H new ATOM 0 HA SER A 98 -1.387 -10.575 10.561 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.120 -7.748 9.448 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.584 -8.711 9.444 1.00 0.00 H new ATOM 0 HG SER A 98 -2.506 -7.240 11.236 1.00 0.00 H new ATOM 1482 N TYR A 99 0.241 -9.478 7.891 1.00 0.00 N ATOM 1483 CA TYR A 99 0.604 -9.819 6.521 1.00 0.00 C ATOM 1484 C TYR A 99 1.112 -11.255 6.434 1.00 0.00 C ATOM 1485 O TYR A 99 0.581 -12.067 5.677 1.00 0.00 O ATOM 1486 CB TYR A 99 1.672 -8.856 5.999 1.00 0.00 C ATOM 1487 CG TYR A 99 1.881 -8.938 4.504 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.601 -9.983 3.939 1.00 0.00 C ATOM 1489 CD2 TYR A 99 1.358 -7.969 3.656 1.00 0.00 C ATOM 1490 CE1 TYR A 99 2.796 -10.060 2.573 1.00 0.00 C ATOM 1491 CE2 TYR A 99 1.546 -8.040 2.289 1.00 0.00 C ATOM 1492 CZ TYR A 99 2.266 -9.087 1.753 1.00 0.00 C ATOM 1493 OH TYR A 99 2.456 -9.161 0.392 1.00 0.00 O ATOM 0 H TYR A 99 0.616 -8.587 8.217 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.289 -9.730 5.902 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.391 -7.837 6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.616 -9.066 6.502 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.016 -10.748 4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.795 -7.147 4.073 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.361 -10.878 2.150 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.131 -7.280 1.644 1.00 0.00 H new ATOM 0 HH TYR A 99 2.018 -8.399 -0.041 1.00 0.00 H new ATOM 1503 N GLU A 100 2.144 -11.560 7.215 1.00 0.00 N ATOM 1504 CA GLU A 100 2.724 -12.898 7.226 1.00 0.00 C ATOM 1505 C GLU A 100 1.643 -13.958 7.416 1.00 0.00 C ATOM 1506 O GLU A 100 1.534 -14.898 6.628 1.00 0.00 O ATOM 1507 CB GLU A 100 3.769 -13.015 8.337 1.00 0.00 C ATOM 1508 CG GLU A 100 4.928 -12.044 8.187 1.00 0.00 C ATOM 1509 CD GLU A 100 5.756 -11.924 9.452 1.00 0.00 C ATOM 1510 OE1 GLU A 100 6.600 -12.811 9.696 1.00 0.00 O ATOM 1511 OE2 GLU A 100 5.559 -10.942 10.199 1.00 0.00 O ATOM 0 H GLU A 100 2.595 -10.899 7.848 1.00 0.00 H new ATOM 0 HA GLU A 100 3.207 -13.065 6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.285 -12.844 9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.158 -14.033 8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.568 -12.372 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.541 -11.062 7.916 1.00 0.00 H new ATOM 1518 N LYS A 101 0.845 -13.800 8.466 1.00 0.00 N ATOM 1519 CA LYS A 101 -0.228 -14.741 8.761 1.00 0.00 C ATOM 1520 C LYS A 101 -1.169 -14.885 7.569 1.00 0.00 C ATOM 1521 O LYS A 101 -1.771 -15.939 7.365 1.00 0.00 O ATOM 1522 CB LYS A 101 -1.014 -14.282 9.991 1.00 0.00 C ATOM 1523 CG LYS A 101 -1.848 -15.381 10.626 1.00 0.00 C ATOM 1524 CD LYS A 101 -2.207 -15.049 12.065 1.00 0.00 C ATOM 1525 CE LYS A 101 -1.090 -15.435 13.022 1.00 0.00 C ATOM 1526 NZ LYS A 101 -1.426 -15.096 14.432 1.00 0.00 N ATOM 0 H LYS A 101 0.921 -13.028 9.128 1.00 0.00 H new ATOM 0 HA LYS A 101 0.222 -15.712 8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.317 -13.892 10.733 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.669 -13.459 9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.760 -15.527 10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.297 -16.321 10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.410 -13.982 12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.122 -15.572 12.343 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.897 -16.505 12.942 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.172 -14.923 12.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.640 -15.375 15.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.586 -14.072 14.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.288 -15.605 14.715 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.289 -13.819 6.784 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.154 -13.829 5.610 1.00 0.00 C ATOM 1542 C ALA A 102 -1.520 -14.617 4.469 1.00 0.00 C ATOM 1543 O ALA A 102 -2.106 -15.574 3.962 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.457 -12.405 5.167 1.00 0.00 C ATOM 0 H ALA A 102 -0.799 -12.938 6.940 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.089 -14.320 5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.104 -12.427 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.959 -11.872 5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.526 -11.895 4.919 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.321 -14.208 4.067 1.00 0.00 N ATOM 1551 CA VAL A 103 0.392 -14.876 2.985 1.00 0.00 C ATOM 1552 C VAL A 103 0.600 -16.355 3.295 1.00 0.00 C ATOM 1553 O VAL A 103 0.863 -17.157 2.399 1.00 0.00 O ATOM 1554 CB VAL A 103 1.761 -14.220 2.725 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.543 -14.084 4.023 1.00 0.00 C ATOM 1556 CG2 VAL A 103 2.549 -15.020 1.699 1.00 0.00 C ATOM 0 H VAL A 103 0.177 -13.417 4.475 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.225 -14.778 2.092 1.00 0.00 H new ATOM 0 HB VAL A 103 1.595 -13.221 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.507 -13.619 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.982 -13.465 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.701 -15.071 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.513 -14.542 1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.707 -16.033 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.992 -15.060 0.763 1.00 0.00 H new ATOM 1566 N LYS A 104 0.481 -16.709 4.570 1.00 0.00 N ATOM 1567 CA LYS A 104 0.654 -18.091 5.000 1.00 0.00 C ATOM 1568 C LYS A 104 -0.664 -18.854 4.924 1.00 0.00 C ATOM 1569 O LYS A 104 -0.687 -20.041 4.603 1.00 0.00 O ATOM 1570 CB LYS A 104 1.201 -18.138 6.429 1.00 0.00 C ATOM 1571 CG LYS A 104 2.708 -17.964 6.510 1.00 0.00 C ATOM 1572 CD LYS A 104 3.439 -19.192 5.993 1.00 0.00 C ATOM 1573 CE LYS A 104 3.670 -20.210 7.099 1.00 0.00 C ATOM 1574 NZ LYS A 104 4.627 -21.272 6.684 1.00 0.00 N ATOM 0 H LYS A 104 0.265 -16.057 5.324 1.00 0.00 H new ATOM 0 HA LYS A 104 1.368 -18.567 4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.721 -17.357 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.929 -19.091 6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.006 -17.091 5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.998 -17.775 7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.861 -19.650 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.396 -18.894 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.052 -19.703 7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.720 -20.666 7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.758 -21.946 7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.251 -21.773 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.542 -20.840 6.443 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.760 -18.163 5.220 1.00 0.00 N ATOM 1589 CA ASN A 105 -3.083 -18.776 5.183 1.00 0.00 C ATOM 1590 C ASN A 105 -3.763 -18.523 3.841 1.00 0.00 C ATOM 1591 O ASN A 105 -4.961 -18.762 3.687 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.952 -18.230 6.319 1.00 0.00 C ATOM 1593 CG ASN A 105 -3.467 -18.678 7.684 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -3.283 -19.870 7.929 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -3.258 -17.721 8.580 1.00 0.00 N ATOM 0 H ASN A 105 -1.758 -17.179 5.488 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.962 -19.852 5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.957 -17.141 6.278 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.981 -18.559 6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.931 -17.961 9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.424 -16.746 8.332 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.990 -18.039 2.874 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.518 -17.754 1.545 1.00 0.00 C ATOM 1604 C GLN A 106 -4.846 -17.009 1.636 1.00 0.00 C ATOM 1605 O GLN A 106 -5.771 -17.271 0.866 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.701 -19.052 0.757 1.00 0.00 C ATOM 1607 CG GLN A 106 -2.417 -19.566 0.126 1.00 0.00 C ATOM 1608 CD GLN A 106 -1.950 -18.706 -1.031 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -0.847 -18.160 -1.009 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -2.790 -18.580 -2.053 1.00 0.00 N ATOM 0 H GLN A 106 -1.997 -17.836 2.986 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.801 -17.119 1.024 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.101 -19.818 1.422 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.442 -18.891 -0.026 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.635 -19.605 0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.572 -20.586 -0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -3.695 -19.050 -2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.530 -18.013 -2.860 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.934 -16.078 2.581 1.00 0.00 N ATOM 1620 CA VAL A 107 -6.149 -15.294 2.772 1.00 0.00 C ATOM 1621 C VAL A 107 -6.185 -14.099 1.826 1.00 0.00 C ATOM 1622 O VAL A 107 -5.255 -13.294 1.791 1.00 0.00 O ATOM 1623 CB VAL A 107 -6.270 -14.791 4.222 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -7.525 -13.949 4.392 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -6.267 -15.961 5.194 1.00 0.00 C ATOM 0 H VAL A 107 -4.178 -15.848 3.226 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.989 -15.953 2.553 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.407 -14.163 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.594 -13.602 5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -7.480 -13.090 3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -8.402 -14.550 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.353 -15.587 6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -7.109 -16.617 4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.336 -16.518 5.090 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.266 -13.990 1.061 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.425 -12.892 0.115 1.00 0.00 C ATOM 1637 C ASP A 108 -7.215 -11.547 0.803 1.00 0.00 C ATOM 1638 O ASP A 108 -8.069 -11.085 1.561 1.00 0.00 O ATOM 1639 CB ASP A 108 -8.813 -12.940 -0.526 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.200 -14.338 -0.967 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -8.335 -15.044 -1.527 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -10.367 -14.726 -0.752 1.00 0.00 O ATOM 0 H ASP A 108 -8.045 -14.649 1.078 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.670 -13.003 -0.663 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.551 -12.569 0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.836 -12.272 -1.387 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.073 -10.924 0.535 1.00 0.00 N ATOM 1648 CA LEU A 109 -5.749 -9.631 1.129 1.00 0.00 C ATOM 1649 C LEU A 109 -6.437 -8.498 0.376 1.00 0.00 C ATOM 1650 O LEU A 109 -6.914 -7.536 0.979 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.235 -9.413 1.130 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.443 -10.203 2.173 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -1.951 -10.102 1.900 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.766 -9.707 3.575 1.00 0.00 C ATOM 0 H LEU A 109 -5.356 -11.293 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.110 -9.631 2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.851 -9.668 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.041 -8.351 1.284 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.733 -11.251 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.404 -10.670 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.734 -10.506 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.644 -9.057 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.194 -10.280 4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.505 -8.652 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.831 -9.833 3.769 1.00 0.00 H new ATOM 1666 N LYS A 110 -6.487 -8.618 -0.947 1.00 0.00 N ATOM 1667 CA LYS A 110 -7.120 -7.606 -1.784 1.00 0.00 C ATOM 1668 C LYS A 110 -8.488 -7.220 -1.231 1.00 0.00 C ATOM 1669 O LYS A 110 -8.910 -6.069 -1.343 1.00 0.00 O ATOM 1670 CB LYS A 110 -7.264 -8.119 -3.219 1.00 0.00 C ATOM 1671 CG LYS A 110 -8.224 -9.288 -3.353 1.00 0.00 C ATOM 1672 CD LYS A 110 -7.898 -10.142 -4.567 1.00 0.00 C ATOM 1673 CE LYS A 110 -8.530 -9.578 -5.830 1.00 0.00 C ATOM 1674 NZ LYS A 110 -9.969 -9.947 -5.942 1.00 0.00 N ATOM 0 H LYS A 110 -6.096 -9.407 -1.462 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.485 -6.720 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.607 -7.303 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.284 -8.420 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.179 -9.901 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.245 -8.914 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.817 -10.199 -4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.254 -11.159 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.432 -8.492 -5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.991 -9.948 -6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.364 -9.544 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.061 -10.983 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.488 -9.572 -5.123 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.175 -8.189 -0.634 1.00 0.00 N ATOM 1689 CA GLU A 111 -10.495 -7.948 -0.063 1.00 0.00 C ATOM 1690 C GLU A 111 -10.434 -6.866 1.011 1.00 0.00 C ATOM 1691 O GLU A 111 -11.334 -6.031 1.118 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.062 -9.240 0.530 1.00 0.00 C ATOM 1693 CG GLU A 111 -11.249 -10.348 -0.492 1.00 0.00 C ATOM 1694 CD GLU A 111 -12.536 -10.203 -1.281 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -13.465 -9.533 -0.783 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -12.613 -10.758 -2.397 1.00 0.00 O ATOM 0 H GLU A 111 -8.840 -9.147 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.152 -7.605 -0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.395 -9.592 1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.022 -9.024 0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.404 -10.349 -1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.246 -11.312 0.018 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.369 -6.887 1.804 1.00 0.00 N ATOM 1704 CA LEU A 112 -9.190 -5.909 2.871 1.00 0.00 C ATOM 1705 C LEU A 112 -9.609 -4.516 2.409 1.00 0.00 C ATOM 1706 O LEU A 112 -8.944 -3.902 1.574 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.731 -5.888 3.331 1.00 0.00 C ATOM 1708 CG LEU A 112 -7.151 -7.229 3.782 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.636 -7.226 3.651 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -7.564 -7.535 5.214 1.00 0.00 C ATOM 0 H LEU A 112 -8.616 -7.571 1.728 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.825 -6.201 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.119 -5.506 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.641 -5.180 4.155 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.550 -8.011 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.241 -8.188 3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.361 -7.054 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.219 -6.434 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.142 -8.493 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.195 -6.750 5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.651 -7.581 5.277 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.713 -4.024 2.958 1.00 0.00 N ATOM 1723 CA ASP A 113 -11.219 -2.702 2.605 1.00 0.00 C ATOM 1724 C ASP A 113 -11.520 -1.884 3.856 1.00 0.00 C ATOM 1725 O ASP A 113 -12.624 -1.944 4.398 1.00 0.00 O ATOM 1726 CB ASP A 113 -12.479 -2.828 1.747 1.00 0.00 C ATOM 1727 CG ASP A 113 -13.507 -3.759 2.360 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -14.314 -3.288 3.188 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -13.503 -4.958 2.013 1.00 0.00 O ATOM 0 H ASP A 113 -11.275 -4.520 3.649 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.449 -2.186 2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.922 -1.842 1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.206 -3.194 0.757 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.531 -1.120 4.310 1.00 0.00 N ATOM 1735 CA GLN A 114 -10.691 -0.291 5.498 1.00 0.00 C ATOM 1736 C GLN A 114 -11.848 0.688 5.328 1.00 0.00 C ATOM 1737 O GLN A 114 -12.364 0.870 4.225 1.00 0.00 O ATOM 1738 CB GLN A 114 -9.399 0.475 5.789 1.00 0.00 C ATOM 1739 CG GLN A 114 -9.208 0.810 7.259 1.00 0.00 C ATOM 1740 CD GLN A 114 -10.351 1.631 7.824 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -11.075 1.179 8.711 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -10.518 2.844 7.312 1.00 0.00 N ATOM 0 H GLN A 114 -9.611 -1.058 3.873 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.915 -0.947 6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -8.550 -0.117 5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -9.396 1.399 5.211 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -9.113 -0.114 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -8.275 1.359 7.384 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -9.894 3.178 6.578 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -11.270 3.442 7.653 1.00 0.00 H new