USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 754 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0119) USER MOD Single : A 18 SER OG : rot 5:sc= -0.276 USER MOD Single : A 21 SER OG : rot 98:sc= 1.09 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 15:sc= -0.0188 USER MOD Single : A 35 SER OG : rot 180:sc= -0.421 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 43 THR OG1 : rot 37:sc= 0.996 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.28 K(o=-2.3,f=-5.7!) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 76:sc= 1.97 USER MOD Single : A 57 SER OG : rot 82:sc= 1.56 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.223 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -90:sc= 1.19 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.56) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 72:sc= -6.03! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -36:sc= 0.713 USER MOD Single : A 101 ASN : amide:sc= -0.0372 K(o=-0.037,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 111 N GLU A 11 10.672 0.979 -10.477 1.00 0.00 N ATOM 112 CA GLU A 11 9.420 1.621 -10.838 1.00 0.00 C ATOM 113 C GLU A 11 8.293 1.139 -9.924 1.00 0.00 C ATOM 114 O GLU A 11 7.444 1.928 -9.510 1.00 0.00 O ATOM 115 CB GLU A 11 9.078 1.368 -12.309 1.00 0.00 C ATOM 116 CG GLU A 11 8.511 -0.038 -12.506 1.00 0.00 C ATOM 117 CD GLU A 11 8.543 -0.441 -13.982 1.00 0.00 C ATOM 118 OE1 GLU A 11 7.605 -0.033 -14.701 1.00 0.00 O ATOM 119 OE2 GLU A 11 9.504 -1.146 -14.357 1.00 0.00 O ATOM 0 HA GLU A 11 9.535 2.697 -10.705 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.353 2.107 -12.650 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.972 1.492 -12.920 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.088 -0.752 -11.918 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.486 -0.075 -12.137 1.00 0.00 H new ATOM 126 N LEU A 12 8.319 -0.153 -9.634 1.00 0.00 N ATOM 127 CA LEU A 12 7.310 -0.749 -8.775 1.00 0.00 C ATOM 128 C LEU A 12 7.742 -0.607 -7.314 1.00 0.00 C ATOM 129 O LEU A 12 6.906 -0.413 -6.433 1.00 0.00 O ATOM 130 CB LEU A 12 7.032 -2.193 -9.197 1.00 0.00 C ATOM 131 CG LEU A 12 6.580 -2.394 -10.645 1.00 0.00 C ATOM 132 CD1 LEU A 12 6.148 -3.841 -10.889 1.00 0.00 C ATOM 133 CD2 LEU A 12 5.483 -1.397 -11.020 1.00 0.00 C ATOM 0 H LEU A 12 9.024 -0.805 -9.979 1.00 0.00 H new ATOM 0 HA LEU A 12 6.361 -0.223 -8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.937 -2.778 -9.035 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.266 -2.602 -8.538 1.00 0.00 H new ATOM 0 HG LEU A 12 7.430 -2.198 -11.298 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.832 -3.956 -11.926 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.985 -4.509 -10.689 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.319 -4.090 -10.227 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.180 -1.561 -12.054 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.624 -1.537 -10.363 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.862 -0.381 -10.910 1.00 0.00 H new ATOM 145 N LEU A 13 9.046 -0.712 -7.103 1.00 0.00 N ATOM 146 CA LEU A 13 9.597 -0.598 -5.764 1.00 0.00 C ATOM 147 C LEU A 13 9.648 0.878 -5.362 1.00 0.00 C ATOM 148 O LEU A 13 9.793 1.753 -6.214 1.00 0.00 O ATOM 149 CB LEU A 13 10.952 -1.304 -5.681 1.00 0.00 C ATOM 150 CG LEU A 13 11.048 -2.454 -4.677 1.00 0.00 C ATOM 151 CD1 LEU A 13 12.383 -3.189 -4.811 1.00 0.00 C ATOM 152 CD2 LEU A 13 10.807 -1.959 -3.249 1.00 0.00 C ATOM 0 H LEU A 13 9.736 -0.875 -7.836 1.00 0.00 H new ATOM 0 HA LEU A 13 8.954 -1.104 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.200 -1.690 -6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.711 -0.563 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 13 10.260 -3.172 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.425 -4.002 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.475 -3.596 -5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.201 -2.494 -4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.881 -2.797 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.555 -1.209 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.813 -1.518 -3.180 1.00 0.00 H new ATOM 164 N GLY A 14 9.527 1.109 -4.062 1.00 0.00 N ATOM 165 CA GLY A 14 9.556 2.463 -3.536 1.00 0.00 C ATOM 166 C GLY A 14 8.328 3.255 -3.990 1.00 0.00 C ATOM 167 O GLY A 14 8.287 4.476 -3.854 1.00 0.00 O ATOM 0 H GLY A 14 9.409 0.381 -3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.591 2.433 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.462 2.967 -3.871 1.00 0.00 H new ATOM 171 N LYS A 15 7.355 2.525 -4.519 1.00 0.00 N ATOM 172 CA LYS A 15 6.129 3.143 -4.992 1.00 0.00 C ATOM 173 C LYS A 15 4.929 2.440 -4.356 1.00 0.00 C ATOM 174 O LYS A 15 5.046 1.309 -3.886 1.00 0.00 O ATOM 175 CB LYS A 15 6.094 3.160 -6.522 1.00 0.00 C ATOM 176 CG LYS A 15 5.474 1.872 -7.070 1.00 0.00 C ATOM 177 CD LYS A 15 4.101 2.143 -7.687 1.00 0.00 C ATOM 178 CE LYS A 15 4.219 2.409 -9.189 1.00 0.00 C ATOM 179 NZ LYS A 15 4.393 3.855 -9.449 1.00 0.00 N ATOM 0 H LYS A 15 7.392 1.512 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 15 6.085 4.188 -4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.520 4.020 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.106 3.275 -6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.134 1.437 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.378 1.141 -6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.446 1.289 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.641 3.001 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.065 1.856 -9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.326 2.047 -9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.437 4.020 -10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.589 4.379 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.275 4.183 -9.007 1.00 0.00 H new ATOM 193 N VAL A 16 3.803 3.136 -4.364 1.00 0.00 N ATOM 194 CA VAL A 16 2.582 2.591 -3.793 1.00 0.00 C ATOM 195 C VAL A 16 1.952 1.615 -4.787 1.00 0.00 C ATOM 196 O VAL A 16 1.981 1.847 -5.995 1.00 0.00 O ATOM 197 CB VAL A 16 1.640 3.727 -3.392 1.00 0.00 C ATOM 198 CG1 VAL A 16 0.199 3.226 -3.266 1.00 0.00 C ATOM 199 CG2 VAL A 16 2.104 4.393 -2.095 1.00 0.00 C ATOM 0 H VAL A 16 3.709 4.073 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 16 2.801 2.032 -2.883 1.00 0.00 H new ATOM 0 HB VAL A 16 1.666 4.478 -4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.450 4.054 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.130 2.821 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.150 2.447 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.417 5.197 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.122 3.655 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.105 4.802 -2.234 1.00 0.00 H new ATOM 209 N VAL A 17 1.397 0.541 -4.243 1.00 0.00 N ATOM 210 CA VAL A 17 0.760 -0.472 -5.067 1.00 0.00 C ATOM 211 C VAL A 17 -0.486 -0.997 -4.351 1.00 0.00 C ATOM 212 O VAL A 17 -0.598 -0.888 -3.131 1.00 0.00 O ATOM 213 CB VAL A 17 1.763 -1.577 -5.406 1.00 0.00 C ATOM 214 CG1 VAL A 17 2.859 -1.054 -6.338 1.00 0.00 C ATOM 215 CG2 VAL A 17 2.366 -2.180 -4.135 1.00 0.00 C ATOM 0 H VAL A 17 1.376 0.351 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 17 0.434 -0.043 -6.015 1.00 0.00 H new ATOM 0 HB VAL A 17 1.226 -2.368 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.559 -1.858 -6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.409 -0.694 -7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.391 -0.236 -5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.075 -2.963 -4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.881 -1.402 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.572 -2.606 -3.522 1.00 0.00 H new ATOM 225 N SER A 18 -1.392 -1.554 -5.141 1.00 0.00 N ATOM 226 CA SER A 18 -2.627 -2.094 -4.598 1.00 0.00 C ATOM 227 C SER A 18 -2.513 -3.613 -4.452 1.00 0.00 C ATOM 228 O SER A 18 -2.147 -4.306 -5.400 1.00 0.00 O ATOM 229 CB SER A 18 -3.822 -1.735 -5.482 1.00 0.00 C ATOM 230 OG SER A 18 -3.599 -2.078 -6.847 1.00 0.00 O ATOM 0 H SER A 18 -1.296 -1.643 -6.153 1.00 0.00 H new ATOM 0 HA SER A 18 -2.791 -1.651 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.710 -2.252 -5.119 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.022 -0.666 -5.405 1.00 0.00 H new ATOM 0 HG SER A 18 -2.745 -2.551 -6.930 1.00 0.00 H new ATOM 236 N VAL A 19 -2.832 -4.086 -3.256 1.00 0.00 N ATOM 237 CA VAL A 19 -2.770 -5.510 -2.973 1.00 0.00 C ATOM 238 C VAL A 19 -4.176 -6.106 -3.067 1.00 0.00 C ATOM 239 O VAL A 19 -5.124 -5.558 -2.509 1.00 0.00 O ATOM 240 CB VAL A 19 -2.111 -5.746 -1.613 1.00 0.00 C ATOM 241 CG1 VAL A 19 -2.011 -7.241 -1.303 1.00 0.00 C ATOM 242 CG2 VAL A 19 -0.734 -5.079 -1.548 1.00 0.00 C ATOM 0 H VAL A 19 -3.134 -3.508 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.151 -6.019 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.742 -5.288 -0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.539 -7.380 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.010 -7.677 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.413 -7.733 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.287 -5.262 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.092 -5.494 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.842 -4.005 -1.702 1.00 0.00 H new ATOM 252 N VAL A 20 -4.266 -7.221 -3.777 1.00 0.00 N ATOM 253 CA VAL A 20 -5.539 -7.898 -3.951 1.00 0.00 C ATOM 254 C VAL A 20 -5.678 -8.993 -2.893 1.00 0.00 C ATOM 255 O VAL A 20 -4.776 -9.810 -2.719 1.00 0.00 O ATOM 256 CB VAL A 20 -5.659 -8.428 -5.382 1.00 0.00 C ATOM 257 CG1 VAL A 20 -7.076 -8.931 -5.663 1.00 0.00 C ATOM 258 CG2 VAL A 20 -5.242 -7.363 -6.398 1.00 0.00 C ATOM 0 H VAL A 20 -3.477 -7.673 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.365 -7.202 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.978 -9.273 -5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.134 -9.302 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.320 -9.737 -4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.785 -8.113 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.337 -7.765 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.885 -6.489 -6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.206 -7.074 -6.218 1.00 0.00 H new ATOM 268 N SER A 21 -6.816 -8.976 -2.215 1.00 0.00 N ATOM 269 CA SER A 21 -7.086 -9.958 -1.179 1.00 0.00 C ATOM 270 C SER A 21 -7.418 -11.311 -1.813 1.00 0.00 C ATOM 271 O SER A 21 -8.368 -11.420 -2.586 1.00 0.00 O ATOM 272 CB SER A 21 -8.229 -9.502 -0.271 1.00 0.00 C ATOM 273 OG SER A 21 -8.261 -8.085 -0.122 1.00 0.00 O ATOM 0 H SER A 21 -7.562 -8.297 -2.363 1.00 0.00 H new ATOM 0 HA SER A 21 -6.191 -10.062 -0.566 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.178 -9.844 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.121 -9.967 0.709 1.00 0.00 H new ATOM 0 HG SER A 21 -8.927 -7.707 -0.734 1.00 0.00 H new ATOM 279 N ALA A 22 -6.618 -12.306 -1.463 1.00 0.00 N ATOM 280 CA ALA A 22 -6.815 -13.646 -1.988 1.00 0.00 C ATOM 281 C ALA A 22 -8.167 -14.181 -1.514 1.00 0.00 C ATOM 282 O ALA A 22 -8.708 -15.118 -2.098 1.00 0.00 O ATOM 283 CB ALA A 22 -5.651 -14.540 -1.558 1.00 0.00 C ATOM 0 H ALA A 22 -5.831 -12.211 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.829 -13.632 -3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.799 -15.545 -1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.717 -14.133 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.606 -14.580 -0.470 1.00 0.00 H new ATOM 289 N THR A 23 -8.675 -13.562 -0.458 1.00 0.00 N ATOM 290 CA THR A 23 -9.954 -13.964 0.102 1.00 0.00 C ATOM 291 C THR A 23 -11.075 -13.070 -0.432 1.00 0.00 C ATOM 292 O THR A 23 -12.253 -13.380 -0.267 1.00 0.00 O ATOM 293 CB THR A 23 -9.831 -13.941 1.627 1.00 0.00 C ATOM 294 OG1 THR A 23 -8.986 -15.048 1.925 1.00 0.00 O ATOM 295 CG2 THR A 23 -11.149 -14.279 2.326 1.00 0.00 C ATOM 0 H THR A 23 -8.224 -12.785 0.024 1.00 0.00 H new ATOM 0 HA THR A 23 -10.218 -14.977 -0.201 1.00 0.00 H new ATOM 0 HB THR A 23 -9.492 -12.956 1.948 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.852 -15.106 2.894 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.006 -14.249 3.406 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.909 -13.552 2.040 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.472 -15.277 2.031 1.00 0.00 H new ATOM 303 N GLU A 24 -10.668 -11.976 -1.059 1.00 0.00 N ATOM 304 CA GLU A 24 -11.622 -11.034 -1.618 1.00 0.00 C ATOM 305 C GLU A 24 -10.947 -10.156 -2.672 1.00 0.00 C ATOM 306 O GLU A 24 -10.529 -9.037 -2.378 1.00 0.00 O ATOM 307 CB GLU A 24 -12.258 -10.181 -0.518 1.00 0.00 C ATOM 308 CG GLU A 24 -13.220 -9.150 -1.112 1.00 0.00 C ATOM 309 CD GLU A 24 -14.662 -9.659 -1.074 1.00 0.00 C ATOM 310 OE1 GLU A 24 -15.307 -9.461 -0.021 1.00 0.00 O ATOM 311 OE2 GLU A 24 -15.088 -10.236 -2.098 1.00 0.00 O ATOM 0 H GLU A 24 -9.689 -11.721 -1.192 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.419 -11.598 -2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.794 -10.823 0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.479 -9.672 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.146 -8.216 -0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.935 -8.932 -2.141 1.00 0.00 H new ATOM 318 N ARG A 25 -10.860 -10.695 -3.879 1.00 0.00 N ATOM 319 CA ARG A 25 -10.242 -9.974 -4.978 1.00 0.00 C ATOM 320 C ARG A 25 -10.682 -8.508 -4.966 1.00 0.00 C ATOM 321 O ARG A 25 -9.898 -7.619 -5.295 1.00 0.00 O ATOM 322 CB ARG A 25 -10.613 -10.599 -6.325 1.00 0.00 C ATOM 323 CG ARG A 25 -10.006 -11.996 -6.467 1.00 0.00 C ATOM 324 CD ARG A 25 -8.733 -11.957 -7.316 1.00 0.00 C ATOM 325 NE ARG A 25 -8.247 -13.332 -7.561 1.00 0.00 N ATOM 326 CZ ARG A 25 -8.682 -14.117 -8.557 1.00 0.00 C ATOM 327 NH1 ARG A 25 -9.615 -13.665 -9.406 1.00 0.00 N ATOM 328 NH2 ARG A 25 -8.183 -15.352 -8.704 1.00 0.00 N ATOM 0 H ARG A 25 -11.208 -11.623 -4.120 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.162 -10.034 -4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.698 -10.659 -6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.260 -9.961 -7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.777 -12.399 -5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.732 -12.667 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.934 -11.459 -8.265 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.964 -11.376 -6.807 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.536 -13.707 -6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.994 -12.724 -9.294 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.947 -14.261 -10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.472 -15.695 -8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.514 -15.949 -9.462 1.00 0.00 H new ATOM 342 N THR A 26 -11.934 -8.303 -4.583 1.00 0.00 N ATOM 343 CA THR A 26 -12.487 -6.961 -4.523 1.00 0.00 C ATOM 344 C THR A 26 -11.657 -6.083 -3.584 1.00 0.00 C ATOM 345 O THR A 26 -10.932 -5.197 -4.035 1.00 0.00 O ATOM 346 CB THR A 26 -13.955 -7.073 -4.110 1.00 0.00 C ATOM 347 OG1 THR A 26 -14.642 -7.328 -5.333 1.00 0.00 O ATOM 348 CG2 THR A 26 -14.532 -5.739 -3.630 1.00 0.00 C ATOM 0 H THR A 26 -12.581 -9.044 -4.311 1.00 0.00 H new ATOM 0 HA THR A 26 -12.444 -6.472 -5.496 1.00 0.00 H new ATOM 0 HB THR A 26 -14.053 -7.817 -3.319 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.602 -7.416 -5.157 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.576 -5.874 -3.349 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.967 -5.388 -2.767 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.464 -5.004 -4.432 1.00 0.00 H new ATOM 356 N GLU A 27 -11.791 -6.359 -2.295 1.00 0.00 N ATOM 357 CA GLU A 27 -11.062 -5.605 -1.289 1.00 0.00 C ATOM 358 C GLU A 27 -9.579 -5.528 -1.655 1.00 0.00 C ATOM 359 O GLU A 27 -8.948 -6.549 -1.925 1.00 0.00 O ATOM 360 CB GLU A 27 -11.253 -6.220 0.100 1.00 0.00 C ATOM 361 CG GLU A 27 -12.527 -5.690 0.762 1.00 0.00 C ATOM 362 CD GLU A 27 -12.454 -5.837 2.284 1.00 0.00 C ATOM 363 OE1 GLU A 27 -11.424 -5.408 2.848 1.00 0.00 O ATOM 364 OE2 GLU A 27 -13.430 -6.376 2.850 1.00 0.00 O ATOM 0 H GLU A 27 -12.393 -7.094 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.462 -4.591 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.306 -7.306 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.391 -5.990 0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.668 -4.641 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.392 -6.233 0.381 1.00 0.00 H new ATOM 371 N TRP A 28 -9.065 -4.306 -1.652 1.00 0.00 N ATOM 372 CA TRP A 28 -7.668 -4.082 -1.980 1.00 0.00 C ATOM 373 C TRP A 28 -7.150 -2.945 -1.095 1.00 0.00 C ATOM 374 O TRP A 28 -7.890 -2.015 -0.779 1.00 0.00 O ATOM 375 CB TRP A 28 -7.493 -3.802 -3.473 1.00 0.00 C ATOM 376 CG TRP A 28 -7.956 -2.409 -3.904 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.145 -2.054 -4.409 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.185 -1.191 -3.848 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.197 -0.702 -4.680 1.00 0.00 N ATOM 380 CE2 TRP A 28 -7.967 -0.161 -4.328 1.00 0.00 C ATOM 381 CE3 TRP A 28 -5.869 -0.967 -3.405 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -7.522 1.164 -4.411 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -5.440 0.363 -3.494 1.00 0.00 C ATOM 384 CH2 TRP A 28 -6.215 1.411 -3.976 1.00 0.00 C ATOM 0 H TRP A 28 -9.591 -3.462 -1.428 1.00 0.00 H new ATOM 0 HA TRP A 28 -7.078 -4.976 -1.780 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.441 -3.921 -3.733 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -8.048 -4.550 -4.040 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.961 -2.740 -4.582 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.992 -0.194 -5.067 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.239 -1.758 -3.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.154 1.953 -4.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.437 0.590 -3.165 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.810 2.412 -4.015 1.00 0.00 H new ATOM 395 N TYR A 29 -5.885 -3.059 -0.719 1.00 0.00 N ATOM 396 CA TYR A 29 -5.260 -2.054 0.123 1.00 0.00 C ATOM 397 C TYR A 29 -3.900 -1.637 -0.438 1.00 0.00 C ATOM 398 O TYR A 29 -3.205 -2.443 -1.055 1.00 0.00 O ATOM 399 CB TYR A 29 -5.055 -2.715 1.487 1.00 0.00 C ATOM 400 CG TYR A 29 -3.665 -3.323 1.681 1.00 0.00 C ATOM 401 CD1 TYR A 29 -3.417 -4.619 1.276 1.00 0.00 C ATOM 402 CD2 TYR A 29 -2.660 -2.577 2.260 1.00 0.00 C ATOM 403 CE1 TYR A 29 -2.107 -5.192 1.458 1.00 0.00 C ATOM 404 CE2 TYR A 29 -1.350 -3.150 2.442 1.00 0.00 C ATOM 405 CZ TYR A 29 -1.139 -4.429 2.032 1.00 0.00 C ATOM 406 OH TYR A 29 0.096 -4.970 2.203 1.00 0.00 O ATOM 0 H TYR A 29 -5.275 -3.833 -0.982 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.882 -1.161 0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.229 -1.975 2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.804 -3.497 1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.204 -5.203 0.823 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.855 -1.563 2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.899 -6.205 1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.554 -2.576 2.894 1.00 0.00 H new ATOM 0 HH TYR A 29 0.175 -5.783 1.662 1.00 0.00 H new ATOM 416 N PRO A 30 -3.552 -0.344 -0.199 1.00 0.00 N ATOM 417 CA PRO A 30 -2.286 0.191 -0.674 1.00 0.00 C ATOM 418 C PRO A 30 -1.122 -0.316 0.179 1.00 0.00 C ATOM 419 O PRO A 30 -1.298 -0.616 1.359 1.00 0.00 O ATOM 420 CB PRO A 30 -2.452 1.701 -0.617 1.00 0.00 C ATOM 421 CG PRO A 30 -3.620 1.957 0.320 1.00 0.00 C ATOM 422 CD PRO A 30 -4.350 0.640 0.527 1.00 0.00 C ATOM 0 HA PRO A 30 -2.046 -0.132 -1.687 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.544 2.180 -0.250 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.649 2.110 -1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.266 2.351 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.292 2.703 -0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.421 0.389 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.368 0.687 0.141 1.00 0.00 H new ATOM 430 N ALA A 31 0.040 -0.398 -0.452 1.00 0.00 N ATOM 431 CA ALA A 31 1.233 -0.864 0.235 1.00 0.00 C ATOM 432 C ALA A 31 2.470 -0.458 -0.569 1.00 0.00 C ATOM 433 O ALA A 31 2.487 -0.580 -1.793 1.00 0.00 O ATOM 434 CB ALA A 31 1.143 -2.377 0.443 1.00 0.00 C ATOM 0 H ALA A 31 0.181 -0.150 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 31 1.314 -0.404 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.037 -2.727 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.264 -2.610 1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.064 -2.873 -0.524 1.00 0.00 H new ATOM 440 N LEU A 32 3.475 0.016 0.152 1.00 0.00 N ATOM 441 CA LEU A 32 4.713 0.441 -0.479 1.00 0.00 C ATOM 442 C LEU A 32 5.685 -0.741 -0.532 1.00 0.00 C ATOM 443 O LEU A 32 6.184 -1.184 0.501 1.00 0.00 O ATOM 444 CB LEU A 32 5.281 1.672 0.229 1.00 0.00 C ATOM 445 CG LEU A 32 6.541 2.280 -0.389 1.00 0.00 C ATOM 446 CD1 LEU A 32 6.311 2.643 -1.857 1.00 0.00 C ATOM 447 CD2 LEU A 32 7.029 3.478 0.427 1.00 0.00 C ATOM 0 H LEU A 32 3.457 0.115 1.167 1.00 0.00 H new ATOM 0 HA LEU A 32 4.529 0.751 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.508 2.439 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.501 1.403 1.262 1.00 0.00 H new ATOM 0 HG LEU A 32 7.331 1.529 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.222 3.073 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.046 1.746 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.501 3.369 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.926 3.891 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.251 4.241 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.259 3.157 1.443 1.00 0.00 H new ATOM 459 N VAL A 33 5.923 -1.216 -1.745 1.00 0.00 N ATOM 460 CA VAL A 33 6.826 -2.337 -1.946 1.00 0.00 C ATOM 461 C VAL A 33 8.170 -2.028 -1.286 1.00 0.00 C ATOM 462 O VAL A 33 8.593 -0.874 -1.242 1.00 0.00 O ATOM 463 CB VAL A 33 6.950 -2.647 -3.440 1.00 0.00 C ATOM 464 CG1 VAL A 33 7.852 -3.860 -3.674 1.00 0.00 C ATOM 465 CG2 VAL A 33 5.573 -2.858 -4.072 1.00 0.00 C ATOM 0 H VAL A 33 5.506 -0.845 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 33 6.431 -3.236 -1.473 1.00 0.00 H new ATOM 0 HB VAL A 33 7.412 -1.787 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.924 -4.059 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.846 -3.657 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.430 -4.730 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.689 -3.077 -5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.072 -3.693 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.975 -1.955 -3.951 1.00 0.00 H new ATOM 475 N ILE A 34 8.805 -3.080 -0.789 1.00 0.00 N ATOM 476 CA ILE A 34 10.092 -2.936 -0.133 1.00 0.00 C ATOM 477 C ILE A 34 10.861 -4.255 -0.230 1.00 0.00 C ATOM 478 O ILE A 34 10.387 -5.210 -0.845 1.00 0.00 O ATOM 479 CB ILE A 34 9.911 -2.434 1.301 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.907 -3.303 2.062 1.00 0.00 C ATOM 481 CG2 ILE A 34 9.519 -0.956 1.320 1.00 0.00 C ATOM 482 CD1 ILE A 34 8.923 -2.978 3.557 1.00 0.00 C ATOM 0 H ILE A 34 8.451 -4.036 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 34 10.692 -2.179 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 34 10.868 -2.519 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.906 -3.143 1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.145 -4.356 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.397 -0.625 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.300 -0.366 0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.580 -0.822 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.201 -3.609 4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.919 -3.162 3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.660 -1.930 3.704 1.00 0.00 H new ATOM 494 N SER A 35 12.034 -4.267 0.386 1.00 0.00 N ATOM 495 CA SER A 35 12.872 -5.454 0.376 1.00 0.00 C ATOM 496 C SER A 35 13.200 -5.875 1.811 1.00 0.00 C ATOM 497 O SER A 35 13.416 -5.028 2.676 1.00 0.00 O ATOM 498 CB SER A 35 14.160 -5.213 -0.414 1.00 0.00 C ATOM 499 OG SER A 35 14.926 -6.405 -0.562 1.00 0.00 O ATOM 0 H SER A 35 12.424 -3.474 0.895 1.00 0.00 H new ATOM 0 HA SER A 35 12.322 -6.257 -0.115 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.913 -4.816 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.760 -4.457 0.093 1.00 0.00 H new ATOM 0 HG SER A 35 15.739 -6.210 -1.073 1.00 0.00 H new ATOM 505 N PRO A 36 13.227 -7.218 2.024 1.00 0.00 N ATOM 506 CA PRO A 36 13.525 -7.761 3.337 1.00 0.00 C ATOM 507 C PRO A 36 15.017 -7.646 3.654 1.00 0.00 C ATOM 508 O PRO A 36 15.817 -8.459 3.192 1.00 0.00 O ATOM 509 CB PRO A 36 13.037 -9.200 3.288 1.00 0.00 C ATOM 510 CG PRO A 36 12.912 -9.547 1.813 1.00 0.00 C ATOM 511 CD PRO A 36 12.976 -8.251 1.022 1.00 0.00 C ATOM 0 HA PRO A 36 13.031 -7.214 4.140 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.738 -9.868 3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.079 -9.305 3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.715 -10.219 1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.972 -10.065 1.621 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.770 -8.281 0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.044 -8.067 0.488 1.00 0.00 H new ATOM 519 N SER A 37 15.347 -6.630 4.437 1.00 0.00 N ATOM 520 CA SER A 37 16.730 -6.398 4.820 1.00 0.00 C ATOM 521 C SER A 37 16.943 -6.800 6.280 1.00 0.00 C ATOM 522 O SER A 37 17.851 -7.568 6.590 1.00 0.00 O ATOM 523 CB SER A 37 17.121 -4.934 4.609 1.00 0.00 C ATOM 524 OG SER A 37 18.440 -4.804 4.087 1.00 0.00 O ATOM 0 H SER A 37 14.681 -5.958 4.817 1.00 0.00 H new ATOM 0 HA SER A 37 17.369 -7.012 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 37 16.413 -4.464 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 37 17.052 -4.400 5.557 1.00 0.00 H new ATOM 0 HG SER A 37 18.651 -3.855 3.965 1.00 0.00 H new ATOM 530 N CYS A 38 16.090 -6.261 7.139 1.00 0.00 N ATOM 531 CA CYS A 38 16.173 -6.553 8.561 1.00 0.00 C ATOM 532 C CYS A 38 15.297 -7.773 8.852 1.00 0.00 C ATOM 533 O CYS A 38 15.755 -8.742 9.456 1.00 0.00 O ATOM 534 CB CYS A 38 15.772 -5.346 9.410 1.00 0.00 C ATOM 535 SG CYS A 38 16.889 -5.198 10.853 1.00 0.00 S ATOM 0 H CYS A 38 15.338 -5.624 6.878 1.00 0.00 H new ATOM 0 HA CYS A 38 17.205 -6.776 8.830 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.817 -4.437 8.810 1.00 0.00 H new ATOM 0 HB3 CYS A 38 14.741 -5.454 9.747 1.00 0.00 H new ATOM 0 HG CYS A 38 16.542 -4.168 11.567 1.00 0.00 H new ATOM 541 N ASN A 39 14.051 -7.687 8.410 1.00 0.00 N ATOM 542 CA ASN A 39 13.106 -8.771 8.615 1.00 0.00 C ATOM 543 C ASN A 39 13.777 -10.100 8.260 1.00 0.00 C ATOM 544 O ASN A 39 14.419 -10.216 7.218 1.00 0.00 O ATOM 545 CB ASN A 39 11.876 -8.608 7.719 1.00 0.00 C ATOM 546 CG ASN A 39 10.907 -7.578 8.301 1.00 0.00 C ATOM 547 OD1 ASN A 39 11.280 -6.688 9.048 1.00 0.00 O ATOM 548 ND2 ASN A 39 9.644 -7.747 7.921 1.00 0.00 N ATOM 0 H ASN A 39 13.674 -6.882 7.910 1.00 0.00 H new ATOM 0 HA ASN A 39 12.795 -8.754 9.660 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.187 -8.297 6.722 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.371 -9.568 7.611 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.921 -7.111 8.257 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.398 -8.513 7.293 1.00 0.00 H new ATOM 555 N ASP A 40 13.604 -11.068 9.148 1.00 0.00 N ATOM 556 CA ASP A 40 14.184 -12.384 8.941 1.00 0.00 C ATOM 557 C ASP A 40 13.104 -13.451 9.138 1.00 0.00 C ATOM 558 O ASP A 40 12.854 -14.259 8.246 1.00 0.00 O ATOM 559 CB ASP A 40 15.306 -12.656 9.945 1.00 0.00 C ATOM 560 CG ASP A 40 16.321 -13.714 9.511 1.00 0.00 C ATOM 561 OD1 ASP A 40 16.024 -14.411 8.516 1.00 0.00 O ATOM 562 OD2 ASP A 40 17.371 -13.803 10.183 1.00 0.00 O ATOM 0 H ASP A 40 13.071 -10.967 10.012 1.00 0.00 H new ATOM 0 HA ASP A 40 14.589 -12.418 7.930 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.836 -11.723 10.136 1.00 0.00 H new ATOM 0 HB3 ASP A 40 14.860 -12.968 10.889 1.00 0.00 H new ATOM 567 N ASP A 41 12.493 -13.417 10.313 1.00 0.00 N ATOM 568 CA ASP A 41 11.446 -14.370 10.640 1.00 0.00 C ATOM 569 C ASP A 41 10.486 -14.491 9.455 1.00 0.00 C ATOM 570 O ASP A 41 10.261 -15.586 8.942 1.00 0.00 O ATOM 571 CB ASP A 41 10.640 -13.908 11.856 1.00 0.00 C ATOM 572 CG ASP A 41 11.202 -14.348 13.209 1.00 0.00 C ATOM 573 OD1 ASP A 41 12.322 -13.896 13.533 1.00 0.00 O ATOM 574 OD2 ASP A 41 10.500 -15.126 13.889 1.00 0.00 O ATOM 0 H ASP A 41 12.703 -12.744 11.050 1.00 0.00 H new ATOM 0 HA ASP A 41 11.918 -15.327 10.863 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.580 -12.820 11.841 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.622 -14.285 11.763 1.00 0.00 H new ATOM 579 N ILE A 42 9.944 -13.350 9.053 1.00 0.00 N ATOM 580 CA ILE A 42 9.013 -13.315 7.938 1.00 0.00 C ATOM 581 C ILE A 42 9.770 -13.595 6.639 1.00 0.00 C ATOM 582 O ILE A 42 9.804 -12.753 5.743 1.00 0.00 O ATOM 583 CB ILE A 42 8.240 -11.995 7.928 1.00 0.00 C ATOM 584 CG1 ILE A 42 7.559 -11.747 9.276 1.00 0.00 C ATOM 585 CG2 ILE A 42 7.244 -11.951 6.767 1.00 0.00 C ATOM 586 CD1 ILE A 42 6.631 -12.906 9.643 1.00 0.00 C ATOM 0 H ILE A 42 10.132 -12.443 9.480 1.00 0.00 H new ATOM 0 HA ILE A 42 8.261 -14.097 8.044 1.00 0.00 H new ATOM 0 HB ILE A 42 8.952 -11.184 7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.315 -11.622 10.052 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.989 -10.819 9.234 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.708 -11.002 6.783 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.781 -12.048 5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.533 -12.771 6.866 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.160 -12.704 10.605 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.862 -13.013 8.878 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.209 -13.828 9.708 1.00 0.00 H new ATOM 598 N THR A 43 10.360 -14.780 6.578 1.00 0.00 N ATOM 599 CA THR A 43 11.114 -15.181 5.403 1.00 0.00 C ATOM 600 C THR A 43 10.243 -15.079 4.148 1.00 0.00 C ATOM 601 O THR A 43 9.270 -15.816 4.003 1.00 0.00 O ATOM 602 CB THR A 43 11.660 -16.589 5.650 1.00 0.00 C ATOM 603 OG1 THR A 43 12.858 -16.371 6.388 1.00 0.00 O ATOM 604 CG2 THR A 43 12.134 -17.267 4.362 1.00 0.00 C ATOM 0 H THR A 43 10.331 -15.475 7.324 1.00 0.00 H new ATOM 0 HA THR A 43 11.958 -14.514 5.229 1.00 0.00 H new ATOM 0 HB THR A 43 10.890 -17.200 6.120 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.729 -15.623 7.008 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.512 -18.263 4.593 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.300 -17.348 3.665 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.928 -16.674 3.910 1.00 0.00 H new ATOM 612 N VAL A 44 10.624 -14.157 3.276 1.00 0.00 N ATOM 613 CA VAL A 44 9.889 -13.948 2.040 1.00 0.00 C ATOM 614 C VAL A 44 10.258 -15.047 1.041 1.00 0.00 C ATOM 615 O VAL A 44 11.429 -15.403 0.909 1.00 0.00 O ATOM 616 CB VAL A 44 10.155 -12.540 1.505 1.00 0.00 C ATOM 617 CG1 VAL A 44 9.542 -12.356 0.115 1.00 0.00 C ATOM 618 CG2 VAL A 44 9.639 -11.477 2.477 1.00 0.00 C ATOM 0 H VAL A 44 11.432 -13.547 3.401 1.00 0.00 H new ATOM 0 HA VAL A 44 8.816 -14.016 2.217 1.00 0.00 H new ATOM 0 HB VAL A 44 11.234 -12.415 1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.746 -11.346 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.978 -13.079 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.464 -12.511 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.841 -10.485 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.565 -11.601 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.143 -11.587 3.437 1.00 0.00 H new ATOM 628 N LYS A 45 9.238 -15.553 0.364 1.00 0.00 N ATOM 629 CA LYS A 45 9.441 -16.604 -0.620 1.00 0.00 C ATOM 630 C LYS A 45 9.935 -15.984 -1.928 1.00 0.00 C ATOM 631 O LYS A 45 10.558 -14.923 -1.920 1.00 0.00 O ATOM 632 CB LYS A 45 8.171 -17.443 -0.776 1.00 0.00 C ATOM 633 CG LYS A 45 7.570 -17.789 0.586 1.00 0.00 C ATOM 634 CD LYS A 45 8.436 -18.812 1.323 1.00 0.00 C ATOM 635 CE LYS A 45 7.701 -19.378 2.540 1.00 0.00 C ATOM 636 NZ LYS A 45 7.040 -20.657 2.198 1.00 0.00 N ATOM 0 H LYS A 45 8.269 -15.255 0.477 1.00 0.00 H new ATOM 0 HA LYS A 45 10.213 -17.297 -0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.440 -16.895 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.401 -18.360 -1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.478 -16.885 1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.564 -18.187 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.703 -19.623 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.367 -18.343 1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.405 -19.533 3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.959 -18.661 2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.546 -21.027 3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.354 -20.499 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.755 -21.345 1.886 1.00 0.00 H new ATOM 650 N LYS A 46 9.637 -16.672 -3.021 1.00 0.00 N ATOM 651 CA LYS A 46 10.043 -16.201 -4.335 1.00 0.00 C ATOM 652 C LYS A 46 8.872 -15.472 -4.994 1.00 0.00 C ATOM 653 O LYS A 46 9.073 -14.509 -5.733 1.00 0.00 O ATOM 654 CB LYS A 46 10.596 -17.358 -5.169 1.00 0.00 C ATOM 655 CG LYS A 46 11.264 -16.842 -6.446 1.00 0.00 C ATOM 656 CD LYS A 46 11.176 -17.878 -7.568 1.00 0.00 C ATOM 657 CE LYS A 46 12.036 -17.466 -8.765 1.00 0.00 C ATOM 658 NZ LYS A 46 12.981 -18.549 -9.121 1.00 0.00 N ATOM 0 H LYS A 46 9.120 -17.551 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 46 10.858 -15.482 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.318 -17.924 -4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.789 -18.043 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.784 -15.916 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.309 -16.607 -6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.504 -18.849 -7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.139 -17.991 -7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.397 -17.238 -9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.588 -16.557 -8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.557 -18.253 -9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.602 -18.748 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.448 -19.408 -9.367 1.00 0.00 H new ATOM 672 N ASP A 47 7.675 -15.958 -4.705 1.00 0.00 N ATOM 673 CA ASP A 47 6.470 -15.364 -5.261 1.00 0.00 C ATOM 674 C ASP A 47 5.846 -14.424 -4.227 1.00 0.00 C ATOM 675 O ASP A 47 4.650 -14.144 -4.281 1.00 0.00 O ATOM 676 CB ASP A 47 5.436 -16.437 -5.610 1.00 0.00 C ATOM 677 CG ASP A 47 4.633 -16.970 -4.423 1.00 0.00 C ATOM 678 OD1 ASP A 47 5.130 -17.921 -3.782 1.00 0.00 O ATOM 679 OD2 ASP A 47 3.539 -16.415 -4.183 1.00 0.00 O ATOM 0 H ASP A 47 7.512 -16.757 -4.092 1.00 0.00 H new ATOM 0 HA ASP A 47 6.748 -14.824 -6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.742 -16.027 -6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.948 -17.272 -6.087 1.00 0.00 H new ATOM 684 N GLN A 48 6.684 -13.965 -3.310 1.00 0.00 N ATOM 685 CA GLN A 48 6.229 -13.063 -2.266 1.00 0.00 C ATOM 686 C GLN A 48 7.214 -11.903 -2.100 1.00 0.00 C ATOM 687 O GLN A 48 8.415 -12.071 -2.299 1.00 0.00 O ATOM 688 CB GLN A 48 6.034 -13.809 -0.944 1.00 0.00 C ATOM 689 CG GLN A 48 4.718 -14.588 -0.944 1.00 0.00 C ATOM 690 CD GLN A 48 4.890 -15.956 -0.281 1.00 0.00 C ATOM 691 OE1 GLN A 48 5.454 -16.087 0.794 1.00 0.00 O ATOM 692 NE2 GLN A 48 4.375 -16.964 -0.978 1.00 0.00 N ATOM 0 H GLN A 48 7.676 -14.201 -3.268 1.00 0.00 H new ATOM 0 HA GLN A 48 5.263 -12.654 -2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.866 -14.494 -0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.041 -13.099 -0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.954 -14.018 -0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.368 -14.718 -1.968 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.916 -16.785 -1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.439 -17.917 -0.620 1.00 0.00 H new ATOM 701 N CYS A 49 6.666 -10.752 -1.737 1.00 0.00 N ATOM 702 CA CYS A 49 7.482 -9.564 -1.543 1.00 0.00 C ATOM 703 C CYS A 49 6.956 -8.817 -0.316 1.00 0.00 C ATOM 704 O CYS A 49 5.773 -8.904 0.009 1.00 0.00 O ATOM 705 CB CYS A 49 7.494 -8.677 -2.790 1.00 0.00 C ATOM 706 SG CYS A 49 9.216 -8.242 -3.230 1.00 0.00 S ATOM 0 H CYS A 49 5.669 -10.617 -1.572 1.00 0.00 H new ATOM 0 HA CYS A 49 8.519 -9.854 -1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.018 -9.197 -3.621 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.916 -7.771 -2.608 1.00 0.00 H new ATOM 0 HG CYS A 49 9.216 -7.491 -4.291 1.00 0.00 H new ATOM 712 N LEU A 50 7.861 -8.099 0.332 1.00 0.00 N ATOM 713 CA LEU A 50 7.504 -7.337 1.516 1.00 0.00 C ATOM 714 C LEU A 50 7.062 -5.933 1.100 1.00 0.00 C ATOM 715 O LEU A 50 7.791 -5.230 0.400 1.00 0.00 O ATOM 716 CB LEU A 50 8.654 -7.345 2.526 1.00 0.00 C ATOM 717 CG LEU A 50 8.311 -6.860 3.936 1.00 0.00 C ATOM 718 CD1 LEU A 50 7.431 -7.876 4.666 1.00 0.00 C ATOM 719 CD2 LEU A 50 9.580 -6.530 4.725 1.00 0.00 C ATOM 0 H LEU A 50 8.841 -8.029 0.059 1.00 0.00 H new ATOM 0 HA LEU A 50 6.659 -7.800 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.042 -8.361 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.459 -6.723 2.135 1.00 0.00 H new ATOM 0 HG LEU A 50 7.735 -5.938 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.202 -7.507 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.504 -8.020 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.959 -8.826 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.309 -6.188 5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.202 -7.422 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.135 -5.745 4.211 1.00 0.00 H new ATOM 731 N VAL A 51 5.870 -5.565 1.547 1.00 0.00 N ATOM 732 CA VAL A 51 5.322 -4.257 1.229 1.00 0.00 C ATOM 733 C VAL A 51 5.096 -3.475 2.525 1.00 0.00 C ATOM 734 O VAL A 51 5.240 -4.023 3.617 1.00 0.00 O ATOM 735 CB VAL A 51 4.050 -4.412 0.394 1.00 0.00 C ATOM 736 CG1 VAL A 51 4.350 -5.101 -0.939 1.00 0.00 C ATOM 737 CG2 VAL A 51 2.972 -5.169 1.171 1.00 0.00 C ATOM 0 H VAL A 51 5.268 -6.150 2.127 1.00 0.00 H new ATOM 0 HA VAL A 51 6.025 -3.685 0.623 1.00 0.00 H new ATOM 0 HB VAL A 51 3.668 -3.414 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.429 -5.199 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.068 -4.505 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.767 -6.090 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.079 -5.265 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.341 -6.161 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.727 -4.621 2.081 1.00 0.00 H new ATOM 747 N ARG A 52 4.744 -2.209 2.360 1.00 0.00 N ATOM 748 CA ARG A 52 4.496 -1.346 3.503 1.00 0.00 C ATOM 749 C ARG A 52 3.117 -0.693 3.386 1.00 0.00 C ATOM 750 O ARG A 52 2.924 0.215 2.579 1.00 0.00 O ATOM 751 CB ARG A 52 5.562 -0.256 3.612 1.00 0.00 C ATOM 752 CG ARG A 52 5.842 0.094 5.074 1.00 0.00 C ATOM 753 CD ARG A 52 7.346 0.141 5.350 1.00 0.00 C ATOM 754 NE ARG A 52 7.600 0.756 6.671 1.00 0.00 N ATOM 755 CZ ARG A 52 8.803 1.182 7.083 1.00 0.00 C ATOM 756 NH1 ARG A 52 9.867 1.060 6.279 1.00 0.00 N ATOM 757 NH2 ARG A 52 8.940 1.727 8.299 1.00 0.00 N ATOM 0 H ARG A 52 4.624 -1.759 1.452 1.00 0.00 H new ATOM 0 HA ARG A 52 4.534 -1.965 4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.481 -0.592 3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.232 0.635 3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.395 1.059 5.312 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.373 -0.644 5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.760 -0.867 5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.849 0.713 4.571 1.00 0.00 H new ATOM 0 HE ARG A 52 6.811 0.863 7.308 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.762 0.643 5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.782 1.384 6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.129 1.818 8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.855 2.051 8.613 1.00 0.00 H new ATOM 771 N SER A 53 2.195 -1.181 4.202 1.00 0.00 N ATOM 772 CA SER A 53 0.840 -0.656 4.200 1.00 0.00 C ATOM 773 C SER A 53 0.851 0.822 4.598 1.00 0.00 C ATOM 774 O SER A 53 1.754 1.271 5.301 1.00 0.00 O ATOM 775 CB SER A 53 -0.062 -1.453 5.144 1.00 0.00 C ATOM 776 OG SER A 53 -1.443 -1.262 4.852 1.00 0.00 O ATOM 0 H SER A 53 2.359 -1.935 4.869 1.00 0.00 H new ATOM 0 HA SER A 53 0.438 -0.752 3.191 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.181 -2.513 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.136 -1.153 6.173 1.00 0.00 H new ATOM 0 HG SER A 53 -1.684 -1.781 4.056 1.00 0.00 H new ATOM 782 N PHE A 54 -0.164 1.535 4.130 1.00 0.00 N ATOM 783 CA PHE A 54 -0.282 2.953 4.429 1.00 0.00 C ATOM 784 C PHE A 54 -1.452 3.216 5.379 1.00 0.00 C ATOM 785 O PHE A 54 -1.880 4.358 5.539 1.00 0.00 O ATOM 786 CB PHE A 54 -0.545 3.668 3.103 1.00 0.00 C ATOM 787 CG PHE A 54 0.702 3.850 2.235 1.00 0.00 C ATOM 788 CD1 PHE A 54 1.548 4.889 2.472 1.00 0.00 C ATOM 789 CD2 PHE A 54 0.964 2.976 1.228 1.00 0.00 C ATOM 790 CE1 PHE A 54 2.706 5.059 1.667 1.00 0.00 C ATOM 791 CE2 PHE A 54 2.121 3.145 0.423 1.00 0.00 C ATOM 792 CZ PHE A 54 2.968 4.182 0.660 1.00 0.00 C ATOM 0 H PHE A 54 -0.911 1.158 3.547 1.00 0.00 H new ATOM 0 HA PHE A 54 0.629 3.310 4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.288 3.104 2.539 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.977 4.647 3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.339 5.584 3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.291 2.152 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.378 5.884 1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.328 2.450 -0.377 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.849 4.310 0.049 1.00 0.00 H new ATOM 802 N ILE A 55 -1.935 2.142 5.985 1.00 0.00 N ATOM 803 CA ILE A 55 -3.047 2.243 6.914 1.00 0.00 C ATOM 804 C ILE A 55 -2.512 2.208 8.348 1.00 0.00 C ATOM 805 O ILE A 55 -2.648 3.181 9.089 1.00 0.00 O ATOM 806 CB ILE A 55 -4.091 1.165 6.621 1.00 0.00 C ATOM 807 CG1 ILE A 55 -4.634 1.300 5.197 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.209 1.185 7.665 1.00 0.00 C ATOM 809 CD1 ILE A 55 -5.429 0.057 4.792 1.00 0.00 C ATOM 0 H ILE A 55 -1.576 1.197 5.851 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.563 3.195 6.788 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.605 0.192 6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.272 2.182 5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.808 1.450 4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.938 0.408 7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.787 1.003 8.653 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.700 2.158 7.654 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.803 0.180 3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.782 -0.819 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.269 -0.076 5.474 1.00 0.00 H new ATOM 821 N ASP A 56 -1.915 1.077 8.695 1.00 0.00 N ATOM 822 CA ASP A 56 -1.360 0.902 10.027 1.00 0.00 C ATOM 823 C ASP A 56 0.166 0.996 9.954 1.00 0.00 C ATOM 824 O ASP A 56 0.833 1.106 10.981 1.00 0.00 O ATOM 825 CB ASP A 56 -1.724 -0.470 10.599 1.00 0.00 C ATOM 826 CG ASP A 56 -1.196 -0.742 12.008 1.00 0.00 C ATOM 827 OD1 ASP A 56 -0.731 0.232 12.639 1.00 0.00 O ATOM 828 OD2 ASP A 56 -1.268 -1.918 12.425 1.00 0.00 O ATOM 0 H ASP A 56 -1.803 0.273 8.077 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.771 1.680 10.670 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.810 -0.567 10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.342 -1.240 9.929 1.00 0.00 H new ATOM 833 N SER A 57 0.672 0.948 8.731 1.00 0.00 N ATOM 834 CA SER A 57 2.106 1.026 8.511 1.00 0.00 C ATOM 835 C SER A 57 2.783 -0.248 9.021 1.00 0.00 C ATOM 836 O SER A 57 3.786 -0.181 9.729 1.00 0.00 O ATOM 837 CB SER A 57 2.703 2.256 9.198 1.00 0.00 C ATOM 838 OG SER A 57 4.026 2.531 8.747 1.00 0.00 O ATOM 0 H SER A 57 0.115 0.856 7.882 1.00 0.00 H new ATOM 0 HA SER A 57 2.283 1.121 7.440 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.068 3.121 9.007 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.713 2.099 10.277 1.00 0.00 H new ATOM 0 HG SER A 57 3.987 3.021 7.899 1.00 0.00 H new ATOM 844 N LYS A 58 2.208 -1.378 8.640 1.00 0.00 N ATOM 845 CA LYS A 58 2.743 -2.666 9.050 1.00 0.00 C ATOM 846 C LYS A 58 3.463 -3.314 7.866 1.00 0.00 C ATOM 847 O LYS A 58 3.274 -2.906 6.721 1.00 0.00 O ATOM 848 CB LYS A 58 1.640 -3.538 9.652 1.00 0.00 C ATOM 849 CG LYS A 58 1.396 -3.178 11.120 1.00 0.00 C ATOM 850 CD LYS A 58 1.353 -4.434 11.992 1.00 0.00 C ATOM 851 CE LYS A 58 1.706 -4.105 13.445 1.00 0.00 C ATOM 852 NZ LYS A 58 0.852 -4.877 14.374 1.00 0.00 N ATOM 0 H LYS A 58 1.376 -1.429 8.051 1.00 0.00 H new ATOM 0 HA LYS A 58 3.482 -2.537 9.841 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.719 -3.409 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.918 -4.589 9.573 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.186 -2.514 11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.456 -2.634 11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.359 -4.878 11.947 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.051 -5.175 11.603 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.755 -4.334 13.631 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.576 -3.038 13.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.105 -4.642 15.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.146 -4.639 14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.996 -5.894 14.214 1.00 0.00 H new ATOM 866 N PHE A 59 4.271 -4.315 8.181 1.00 0.00 N ATOM 867 CA PHE A 59 5.019 -5.024 7.158 1.00 0.00 C ATOM 868 C PHE A 59 4.325 -6.335 6.781 1.00 0.00 C ATOM 869 O PHE A 59 4.215 -7.242 7.603 1.00 0.00 O ATOM 870 CB PHE A 59 6.395 -5.341 7.748 1.00 0.00 C ATOM 871 CG PHE A 59 7.307 -4.122 7.889 1.00 0.00 C ATOM 872 CD1 PHE A 59 8.011 -3.671 6.815 1.00 0.00 C ATOM 873 CD2 PHE A 59 7.416 -3.488 9.088 1.00 0.00 C ATOM 874 CE1 PHE A 59 8.858 -2.539 6.946 1.00 0.00 C ATOM 875 CE2 PHE A 59 8.263 -2.356 9.219 1.00 0.00 C ATOM 876 CZ PHE A 59 8.967 -1.906 8.145 1.00 0.00 C ATOM 0 H PHE A 59 4.424 -4.652 9.131 1.00 0.00 H new ATOM 0 HA PHE A 59 5.093 -4.411 6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.262 -5.798 8.729 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.888 -6.080 7.116 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.925 -4.174 5.863 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.858 -3.846 9.941 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.416 -2.180 6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.348 -1.852 10.171 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.613 -1.046 8.245 1.00 0.00 H new ATOM 886 N TYR A 60 3.875 -6.392 5.536 1.00 0.00 N ATOM 887 CA TYR A 60 3.196 -7.575 5.039 1.00 0.00 C ATOM 888 C TYR A 60 3.933 -8.167 3.837 1.00 0.00 C ATOM 889 O TYR A 60 4.604 -7.448 3.099 1.00 0.00 O ATOM 890 CB TYR A 60 1.809 -7.109 4.592 1.00 0.00 C ATOM 891 CG TYR A 60 0.875 -6.738 5.746 1.00 0.00 C ATOM 892 CD1 TYR A 60 0.362 -7.725 6.563 1.00 0.00 C ATOM 893 CD2 TYR A 60 0.545 -5.417 5.970 1.00 0.00 C ATOM 894 CE1 TYR A 60 -0.517 -7.377 7.649 1.00 0.00 C ATOM 895 CE2 TYR A 60 -0.333 -5.068 7.056 1.00 0.00 C ATOM 896 CZ TYR A 60 -0.821 -6.066 7.842 1.00 0.00 C ATOM 897 OH TYR A 60 -1.652 -5.736 8.867 1.00 0.00 O ATOM 0 H TYR A 60 3.968 -5.637 4.857 1.00 0.00 H new ATOM 0 HA TYR A 60 3.151 -8.343 5.811 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.921 -6.245 3.937 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.344 -7.899 4.002 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.620 -8.759 6.388 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.946 -4.645 5.330 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.925 -8.140 8.295 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.598 -4.038 7.243 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.779 -4.764 8.885 1.00 0.00 H new ATOM 907 N SER A 61 3.784 -9.474 3.676 1.00 0.00 N ATOM 908 CA SER A 61 4.428 -10.172 2.576 1.00 0.00 C ATOM 909 C SER A 61 3.371 -10.797 1.663 1.00 0.00 C ATOM 910 O SER A 61 2.790 -11.829 1.996 1.00 0.00 O ATOM 911 CB SER A 61 5.387 -11.246 3.091 1.00 0.00 C ATOM 912 OG SER A 61 5.659 -12.236 2.103 1.00 0.00 O ATOM 0 H SER A 61 3.226 -10.068 4.289 1.00 0.00 H new ATOM 0 HA SER A 61 5.010 -9.448 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.321 -10.779 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.959 -11.722 3.973 1.00 0.00 H new ATOM 0 HG SER A 61 6.276 -12.903 2.470 1.00 0.00 H new ATOM 918 N ILE A 62 3.154 -10.146 0.530 1.00 0.00 N ATOM 919 CA ILE A 62 2.178 -10.625 -0.434 1.00 0.00 C ATOM 920 C ILE A 62 2.899 -11.060 -1.711 1.00 0.00 C ATOM 921 O ILE A 62 4.120 -10.948 -1.807 1.00 0.00 O ATOM 922 CB ILE A 62 1.094 -9.571 -0.667 1.00 0.00 C ATOM 923 CG1 ILE A 62 1.298 -8.362 0.247 1.00 0.00 C ATOM 924 CG2 ILE A 62 -0.303 -10.178 -0.513 1.00 0.00 C ATOM 925 CD1 ILE A 62 1.180 -8.761 1.720 1.00 0.00 C ATOM 0 H ILE A 62 3.638 -9.290 0.258 1.00 0.00 H new ATOM 0 HA ILE A 62 1.659 -11.502 -0.047 1.00 0.00 H new ATOM 0 HB ILE A 62 1.179 -9.215 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.279 -7.924 0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.558 -7.596 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.055 -9.408 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.433 -10.980 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.416 -10.579 0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.329 -7.883 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.190 -9.176 1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.937 -9.509 1.956 1.00 0.00 H new ATOM 937 N ALA A 63 2.113 -11.547 -2.660 1.00 0.00 N ATOM 938 CA ALA A 63 2.661 -12.000 -3.927 1.00 0.00 C ATOM 939 C ALA A 63 2.493 -10.895 -4.973 1.00 0.00 C ATOM 940 O ALA A 63 1.426 -10.293 -5.079 1.00 0.00 O ATOM 941 CB ALA A 63 1.979 -13.304 -4.342 1.00 0.00 C ATOM 0 H ALA A 63 1.100 -11.638 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 63 3.727 -12.207 -3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.391 -13.643 -5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.152 -14.064 -3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.907 -13.136 -4.450 1.00 0.00 H new ATOM 947 N ARG A 64 3.562 -10.665 -5.720 1.00 0.00 N ATOM 948 CA ARG A 64 3.546 -9.644 -6.754 1.00 0.00 C ATOM 949 C ARG A 64 2.315 -9.811 -7.646 1.00 0.00 C ATOM 950 O ARG A 64 1.882 -8.860 -8.296 1.00 0.00 O ATOM 951 CB ARG A 64 4.806 -9.716 -7.619 1.00 0.00 C ATOM 952 CG ARG A 64 6.068 -9.603 -6.762 1.00 0.00 C ATOM 953 CD ARG A 64 6.766 -8.261 -6.987 1.00 0.00 C ATOM 954 NE ARG A 64 7.775 -8.390 -8.061 1.00 0.00 N ATOM 955 CZ ARG A 64 8.619 -7.412 -8.421 1.00 0.00 C ATOM 956 NH1 ARG A 64 8.580 -6.229 -7.794 1.00 0.00 N ATOM 957 NH2 ARG A 64 9.502 -7.619 -9.408 1.00 0.00 N ATOM 0 H ARG A 64 4.445 -11.168 -5.630 1.00 0.00 H new ATOM 0 HA ARG A 64 3.513 -8.673 -6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.820 -10.656 -8.170 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.791 -8.914 -8.357 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.807 -9.709 -5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.751 -10.417 -7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.033 -7.501 -7.255 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.244 -7.931 -6.065 1.00 0.00 H new ATOM 0 HE ARG A 64 7.832 -9.278 -8.559 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.908 -6.072 -7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.222 -5.485 -8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.532 -8.520 -9.885 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.144 -6.875 -9.682 1.00 0.00 H new ATOM 971 N LYS A 65 1.784 -11.024 -7.646 1.00 0.00 N ATOM 972 CA LYS A 65 0.610 -11.328 -8.448 1.00 0.00 C ATOM 973 C LYS A 65 -0.608 -10.622 -7.846 1.00 0.00 C ATOM 974 O LYS A 65 -1.425 -10.058 -8.573 1.00 0.00 O ATOM 975 CB LYS A 65 0.435 -12.840 -8.591 1.00 0.00 C ATOM 976 CG LYS A 65 0.014 -13.472 -7.263 1.00 0.00 C ATOM 977 CD LYS A 65 -0.074 -14.995 -7.384 1.00 0.00 C ATOM 978 CE LYS A 65 -0.219 -15.647 -6.007 1.00 0.00 C ATOM 979 NZ LYS A 65 -1.004 -16.897 -6.106 1.00 0.00 N ATOM 0 H LYS A 65 2.145 -11.809 -7.103 1.00 0.00 H new ATOM 0 HA LYS A 65 0.732 -10.948 -9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.315 -13.052 -9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.369 -13.287 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.731 -13.206 -6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.952 -13.072 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.925 -15.265 -8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.819 -15.376 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.767 -15.861 -5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.709 -14.956 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.093 -17.327 -5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.951 -16.684 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.521 -17.561 -6.745 1.00 0.00 H new ATOM 993 N ASP A 66 -0.692 -10.678 -6.525 1.00 0.00 N ATOM 994 CA ASP A 66 -1.796 -10.052 -5.818 1.00 0.00 C ATOM 995 C ASP A 66 -1.668 -8.531 -5.926 1.00 0.00 C ATOM 996 O ASP A 66 -2.647 -7.807 -5.749 1.00 0.00 O ATOM 997 CB ASP A 66 -1.782 -10.423 -4.334 1.00 0.00 C ATOM 998 CG ASP A 66 -1.250 -11.824 -4.023 1.00 0.00 C ATOM 999 OD1 ASP A 66 -1.609 -12.749 -4.784 1.00 0.00 O ATOM 1000 OD2 ASP A 66 -0.496 -11.937 -3.033 1.00 0.00 O ATOM 0 H ASP A 66 -0.013 -11.147 -5.926 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.725 -10.401 -6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.175 -9.693 -3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.797 -10.341 -3.945 1.00 0.00 H new ATOM 1005 N ILE A 67 -0.453 -8.090 -6.217 1.00 0.00 N ATOM 1006 CA ILE A 67 -0.184 -6.669 -6.350 1.00 0.00 C ATOM 1007 C ILE A 67 -0.422 -6.244 -7.801 1.00 0.00 C ATOM 1008 O ILE A 67 -0.259 -7.043 -8.721 1.00 0.00 O ATOM 1009 CB ILE A 67 1.218 -6.337 -5.834 1.00 0.00 C ATOM 1010 CG1 ILE A 67 1.419 -6.868 -4.413 1.00 0.00 C ATOM 1011 CG2 ILE A 67 1.498 -4.837 -5.930 1.00 0.00 C ATOM 1012 CD1 ILE A 67 2.903 -6.901 -4.044 1.00 0.00 C ATOM 0 H ILE A 67 0.357 -8.693 -6.364 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.870 -6.092 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 67 1.944 -6.841 -6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.879 -6.238 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.998 -7.870 -4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.501 -4.629 -5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.425 -4.519 -6.970 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.768 -4.292 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.017 -7.282 -3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.436 -7.551 -4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.315 -5.893 -4.101 1.00 0.00 H new ATOM 1024 N LYS A 68 -0.804 -4.984 -7.959 1.00 0.00 N ATOM 1025 CA LYS A 68 -1.065 -4.443 -9.282 1.00 0.00 C ATOM 1026 C LYS A 68 -1.114 -2.916 -9.203 1.00 0.00 C ATOM 1027 O LYS A 68 -1.688 -2.357 -8.269 1.00 0.00 O ATOM 1028 CB LYS A 68 -2.329 -5.069 -9.876 1.00 0.00 C ATOM 1029 CG LYS A 68 -3.504 -4.961 -8.902 1.00 0.00 C ATOM 1030 CD LYS A 68 -4.406 -3.778 -9.260 1.00 0.00 C ATOM 1031 CE LYS A 68 -5.380 -4.150 -10.379 1.00 0.00 C ATOM 1032 NZ LYS A 68 -5.636 -2.982 -11.253 1.00 0.00 N ATOM 0 H LYS A 68 -0.939 -4.324 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.257 -4.701 -9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.581 -4.570 -10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.143 -6.117 -10.113 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.084 -5.884 -8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.129 -4.842 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.963 -3.461 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.795 -2.931 -9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.970 -4.970 -10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.318 -4.504 -9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.299 -3.252 -12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.047 -2.211 -10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.741 -2.663 -11.676 1.00 0.00 H new ATOM 1046 N GLU A 69 -0.504 -2.285 -10.195 1.00 0.00 N ATOM 1047 CA GLU A 69 -0.471 -0.833 -10.249 1.00 0.00 C ATOM 1048 C GLU A 69 -1.801 -0.252 -9.766 1.00 0.00 C ATOM 1049 O GLU A 69 -2.850 -0.876 -9.927 1.00 0.00 O ATOM 1050 CB GLU A 69 -0.140 -0.344 -11.661 1.00 0.00 C ATOM 1051 CG GLU A 69 0.713 0.925 -11.616 1.00 0.00 C ATOM 1052 CD GLU A 69 -0.167 2.177 -11.593 1.00 0.00 C ATOM 1053 OE1 GLU A 69 -1.155 2.189 -12.360 1.00 0.00 O ATOM 1054 OE2 GLU A 69 0.168 3.092 -10.811 1.00 0.00 O ATOM 0 H GLU A 69 -0.029 -2.752 -10.967 1.00 0.00 H new ATOM 0 HA GLU A 69 0.318 -0.483 -9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.392 -1.125 -12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.063 -0.147 -12.207 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.350 0.908 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.372 0.955 -12.484 1.00 0.00 H new ATOM 1061 N VAL A 70 -1.716 0.935 -9.183 1.00 0.00 N ATOM 1062 CA VAL A 70 -2.900 1.606 -8.676 1.00 0.00 C ATOM 1063 C VAL A 70 -2.732 3.118 -8.834 1.00 0.00 C ATOM 1064 O VAL A 70 -1.613 3.628 -8.805 1.00 0.00 O ATOM 1065 CB VAL A 70 -3.163 1.182 -7.229 1.00 0.00 C ATOM 1066 CG1 VAL A 70 -2.129 1.794 -6.282 1.00 0.00 C ATOM 1067 CG2 VAL A 70 -4.585 1.548 -6.800 1.00 0.00 C ATOM 0 H VAL A 70 -0.845 1.449 -9.051 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.779 1.315 -9.251 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.066 0.098 -7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.339 1.477 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.131 1.461 -6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.179 2.881 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.745 1.236 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.722 2.626 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.302 1.043 -7.448 1.00 0.00 H new ATOM 1077 N ASP A 71 -3.860 3.793 -8.999 1.00 0.00 N ATOM 1078 CA ASP A 71 -3.851 5.237 -9.161 1.00 0.00 C ATOM 1079 C ASP A 71 -4.381 5.894 -7.885 1.00 0.00 C ATOM 1080 O ASP A 71 -5.564 6.215 -7.793 1.00 0.00 O ATOM 1081 CB ASP A 71 -4.751 5.666 -10.322 1.00 0.00 C ATOM 1082 CG ASP A 71 -4.014 6.241 -11.533 1.00 0.00 C ATOM 1083 OD1 ASP A 71 -2.884 6.735 -11.328 1.00 0.00 O ATOM 1084 OD2 ASP A 71 -4.596 6.174 -12.637 1.00 0.00 O ATOM 0 H ASP A 71 -4.786 3.367 -9.024 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.826 5.546 -9.365 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.335 4.805 -10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.458 6.412 -9.958 1.00 0.00 H new ATOM 1089 N ILE A 72 -3.479 6.073 -6.931 1.00 0.00 N ATOM 1090 CA ILE A 72 -3.841 6.685 -5.664 1.00 0.00 C ATOM 1091 C ILE A 72 -3.918 8.203 -5.840 1.00 0.00 C ATOM 1092 O ILE A 72 -4.820 8.848 -5.306 1.00 0.00 O ATOM 1093 CB ILE A 72 -2.877 6.243 -4.561 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -2.768 4.717 -4.508 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -3.282 6.836 -3.210 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -4.122 4.061 -4.783 1.00 0.00 C ATOM 0 H ILE A 72 -2.498 5.805 -7.010 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.828 6.349 -5.347 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.885 6.629 -4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.038 4.375 -5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.403 4.409 -3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.581 6.507 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.268 7.924 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.286 6.500 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.017 2.977 -4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.843 4.386 -4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.473 4.352 -5.773 1.00 0.00 H new ATOM 1108 N LEU A 73 -2.962 8.730 -6.591 1.00 0.00 N ATOM 1109 CA LEU A 73 -2.911 10.159 -6.844 1.00 0.00 C ATOM 1110 C LEU A 73 -4.036 10.543 -7.808 1.00 0.00 C ATOM 1111 O LEU A 73 -4.245 11.723 -8.084 1.00 0.00 O ATOM 1112 CB LEU A 73 -1.519 10.569 -7.328 1.00 0.00 C ATOM 1113 CG LEU A 73 -0.658 11.338 -6.324 1.00 0.00 C ATOM 1114 CD1 LEU A 73 0.595 11.905 -6.996 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -1.475 12.427 -5.624 1.00 0.00 C ATOM 0 H LEU A 73 -2.216 8.192 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.078 10.715 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.980 9.669 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.633 11.181 -8.222 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.323 10.641 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.189 12.447 -6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.187 11.089 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.303 12.584 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.840 12.959 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.858 13.128 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.309 11.970 -5.092 1.00 0.00 H new ATOM 1127 N ASN A 74 -4.729 9.524 -8.293 1.00 0.00 N ATOM 1128 CA ASN A 74 -5.826 9.739 -9.221 1.00 0.00 C ATOM 1129 C ASN A 74 -7.153 9.479 -8.503 1.00 0.00 C ATOM 1130 O ASN A 74 -8.199 9.381 -9.143 1.00 0.00 O ATOM 1131 CB ASN A 74 -5.737 8.783 -10.412 1.00 0.00 C ATOM 1132 CG ASN A 74 -5.850 9.543 -11.735 1.00 0.00 C ATOM 1133 OD1 ASN A 74 -6.926 9.744 -12.274 1.00 0.00 O ATOM 1134 ND2 ASN A 74 -4.685 9.953 -12.225 1.00 0.00 N ATOM 0 H ASN A 74 -4.552 8.547 -8.061 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.768 10.767 -9.580 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.791 8.242 -10.379 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.532 8.040 -10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.655 10.470 -13.104 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.821 9.751 -11.722 1.00 0.00 H new ATOM 1141 N LEU A 75 -7.066 9.374 -7.185 1.00 0.00 N ATOM 1142 CA LEU A 75 -8.246 9.127 -6.375 1.00 0.00 C ATOM 1143 C LEU A 75 -8.898 10.462 -6.009 1.00 0.00 C ATOM 1144 O LEU A 75 -8.233 11.498 -5.996 1.00 0.00 O ATOM 1145 CB LEU A 75 -7.893 8.263 -5.163 1.00 0.00 C ATOM 1146 CG LEU A 75 -7.758 6.762 -5.426 1.00 0.00 C ATOM 1147 CD1 LEU A 75 -7.314 6.022 -4.163 1.00 0.00 C ATOM 1148 CD2 LEU A 75 -9.053 6.187 -6.001 1.00 0.00 C ATOM 0 H LEU A 75 -6.196 9.456 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.983 8.557 -6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.953 8.624 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.658 8.411 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.980 6.616 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.226 4.957 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.348 6.408 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.051 6.173 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.929 5.119 -6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.867 6.346 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.287 6.686 -6.941 1.00 0.00 H new ATOM 1160 N PRO A 76 -10.223 10.393 -5.714 1.00 0.00 N ATOM 1161 CA PRO A 76 -10.971 11.584 -5.350 1.00 0.00 C ATOM 1162 C PRO A 76 -10.640 12.023 -3.921 1.00 0.00 C ATOM 1163 O PRO A 76 -10.424 11.188 -3.045 1.00 0.00 O ATOM 1164 CB PRO A 76 -12.432 11.203 -5.530 1.00 0.00 C ATOM 1165 CG PRO A 76 -12.467 9.683 -5.539 1.00 0.00 C ATOM 1166 CD PRO A 76 -11.042 9.184 -5.720 1.00 0.00 C ATOM 0 HA PRO A 76 -10.719 12.444 -5.970 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.043 11.603 -4.721 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.830 11.609 -6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.888 9.306 -4.607 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.104 9.321 -6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.754 8.507 -4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.930 8.635 -6.655 1.00 0.00 H new ATOM 1174 N GLU A 77 -10.613 13.334 -3.731 1.00 0.00 N ATOM 1175 CA GLU A 77 -10.312 13.895 -2.425 1.00 0.00 C ATOM 1176 C GLU A 77 -11.177 13.232 -1.351 1.00 0.00 C ATOM 1177 O GLU A 77 -10.826 13.243 -0.171 1.00 0.00 O ATOM 1178 CB GLU A 77 -10.503 15.413 -2.422 1.00 0.00 C ATOM 1179 CG GLU A 77 -9.154 16.135 -2.445 1.00 0.00 C ATOM 1180 CD GLU A 77 -9.114 17.186 -3.558 1.00 0.00 C ATOM 1181 OE1 GLU A 77 -8.780 16.793 -4.697 1.00 0.00 O ATOM 1182 OE2 GLU A 77 -9.417 18.357 -3.244 1.00 0.00 O ATOM 0 H GLU A 77 -10.795 14.024 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.265 13.693 -2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.094 15.711 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.064 15.711 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.977 16.613 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.353 15.411 -2.594 1.00 0.00 H new ATOM 1189 N SER A 78 -12.290 12.669 -1.797 1.00 0.00 N ATOM 1190 CA SER A 78 -13.208 12.003 -0.889 1.00 0.00 C ATOM 1191 C SER A 78 -12.537 10.772 -0.277 1.00 0.00 C ATOM 1192 O SER A 78 -12.401 10.676 0.942 1.00 0.00 O ATOM 1193 CB SER A 78 -14.499 11.602 -1.606 1.00 0.00 C ATOM 1194 OG SER A 78 -15.654 11.872 -0.816 1.00 0.00 O ATOM 0 H SER A 78 -12.577 12.660 -2.776 1.00 0.00 H new ATOM 0 HA SER A 78 -13.468 12.701 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.572 12.141 -2.551 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.465 10.540 -1.847 1.00 0.00 H new ATOM 0 HG SER A 78 -16.457 11.604 -1.309 1.00 0.00 H new ATOM 1200 N GLU A 79 -12.134 9.861 -1.151 1.00 0.00 N ATOM 1201 CA GLU A 79 -11.480 8.640 -0.712 1.00 0.00 C ATOM 1202 C GLU A 79 -10.285 8.971 0.185 1.00 0.00 C ATOM 1203 O GLU A 79 -10.122 8.378 1.251 1.00 0.00 O ATOM 1204 CB GLU A 79 -11.048 7.790 -1.908 1.00 0.00 C ATOM 1205 CG GLU A 79 -12.255 7.122 -2.571 1.00 0.00 C ATOM 1206 CD GLU A 79 -11.875 5.762 -3.160 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -11.571 4.858 -2.352 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -11.896 5.658 -4.406 1.00 0.00 O ATOM 0 H GLU A 79 -12.248 9.944 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.195 8.056 -0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.529 8.415 -2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.341 7.028 -1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.052 6.995 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.645 7.767 -3.358 1.00 0.00 H new ATOM 1215 N LEU A 80 -9.482 9.918 -0.278 1.00 0.00 N ATOM 1216 CA LEU A 80 -8.308 10.335 0.470 1.00 0.00 C ATOM 1217 C LEU A 80 -8.749 10.973 1.789 1.00 0.00 C ATOM 1218 O LEU A 80 -8.249 10.613 2.853 1.00 0.00 O ATOM 1219 CB LEU A 80 -7.422 11.241 -0.387 1.00 0.00 C ATOM 1220 CG LEU A 80 -7.135 10.751 -1.807 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -6.389 11.815 -2.613 1.00 0.00 C ATOM 1222 CD2 LEU A 80 -6.385 9.418 -1.786 1.00 0.00 C ATOM 0 H LEU A 80 -9.621 10.408 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.691 9.473 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.894 12.222 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.471 11.378 0.128 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.088 10.577 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.197 11.441 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.995 12.719 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.442 12.044 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.194 9.092 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.438 9.542 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.989 8.669 -1.273 1.00 0.00 H new ATOM 1234 N SER A 81 -9.680 11.908 1.675 1.00 0.00 N ATOM 1235 CA SER A 81 -10.193 12.600 2.845 1.00 0.00 C ATOM 1236 C SER A 81 -10.669 11.584 3.886 1.00 0.00 C ATOM 1237 O SER A 81 -10.788 11.909 5.066 1.00 0.00 O ATOM 1238 CB SER A 81 -11.333 13.547 2.469 1.00 0.00 C ATOM 1239 OG SER A 81 -12.066 13.982 3.611 1.00 0.00 O ATOM 0 H SER A 81 -10.093 12.203 0.790 1.00 0.00 H new ATOM 0 HA SER A 81 -9.386 13.197 3.270 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.927 14.414 1.947 1.00 0.00 H new ATOM 0 HB3 SER A 81 -12.007 13.045 1.775 1.00 0.00 H new ATOM 0 HG SER A 81 -12.784 14.586 3.328 1.00 0.00 H new ATOM 1245 N THR A 82 -10.928 10.375 3.411 1.00 0.00 N ATOM 1246 CA THR A 82 -11.389 9.310 4.285 1.00 0.00 C ATOM 1247 C THR A 82 -10.333 8.207 4.383 1.00 0.00 C ATOM 1248 O THR A 82 -9.486 8.230 5.274 1.00 0.00 O ATOM 1249 CB THR A 82 -12.738 8.816 3.760 1.00 0.00 C ATOM 1250 OG1 THR A 82 -12.553 8.737 2.349 1.00 0.00 O ATOM 1251 CG2 THR A 82 -13.849 9.852 3.932 1.00 0.00 C ATOM 0 H THR A 82 -10.827 10.109 2.431 1.00 0.00 H new ATOM 0 HA THR A 82 -11.534 9.669 5.304 1.00 0.00 H new ATOM 0 HB THR A 82 -13.015 7.898 4.279 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.802 9.591 1.938 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.785 9.450 3.543 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.967 10.087 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.589 10.759 3.386 1.00 0.00 H new ATOM 1259 N LYS A 83 -10.420 7.266 3.454 1.00 0.00 N ATOM 1260 CA LYS A 83 -9.482 6.155 3.424 1.00 0.00 C ATOM 1261 C LYS A 83 -8.083 6.665 3.775 1.00 0.00 C ATOM 1262 O LYS A 83 -7.521 7.491 3.059 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.553 5.431 2.079 1.00 0.00 C ATOM 1264 CG LYS A 83 -10.395 4.157 2.184 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.889 4.481 2.115 1.00 0.00 C ATOM 1266 CE LYS A 83 -12.674 3.665 3.143 1.00 0.00 C ATOM 1267 NZ LYS A 83 -14.093 3.547 2.738 1.00 0.00 N ATOM 0 H LYS A 83 -11.125 7.250 2.717 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.748 5.411 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.982 6.094 1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.547 5.179 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.130 3.474 1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.173 3.646 3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.043 5.545 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.265 4.270 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.234 2.673 3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.607 4.141 4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.611 2.990 3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.514 4.495 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.152 3.073 1.814 1.00 0.00 H new ATOM 1281 N PRO A 84 -7.547 6.137 4.908 1.00 0.00 N ATOM 1282 CA PRO A 84 -6.224 6.529 5.363 1.00 0.00 C ATOM 1283 C PRO A 84 -5.134 5.883 4.505 1.00 0.00 C ATOM 1284 O PRO A 84 -4.211 6.559 4.054 1.00 0.00 O ATOM 1285 CB PRO A 84 -6.165 6.100 6.820 1.00 0.00 C ATOM 1286 CG PRO A 84 -7.272 5.072 6.997 1.00 0.00 C ATOM 1287 CD PRO A 84 -8.183 5.156 5.782 1.00 0.00 C ATOM 0 HA PRO A 84 -6.049 7.601 5.270 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.192 5.672 7.062 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.313 6.952 7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -6.852 4.071 7.091 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.834 5.269 7.910 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.276 4.188 5.289 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.189 5.469 6.062 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.279 4.581 4.305 1.00 0.00 N ATOM 1296 CA GLY A 85 -4.318 3.836 3.508 1.00 0.00 C ATOM 1297 C GLY A 85 -4.063 4.528 2.167 1.00 0.00 C ATOM 1298 O GLY A 85 -2.933 4.559 1.685 1.00 0.00 O ATOM 0 H GLY A 85 -6.046 4.023 4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.381 3.742 4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.689 2.826 3.335 1.00 0.00 H new ATOM 1302 N LEU A 86 -5.134 5.067 1.603 1.00 0.00 N ATOM 1303 CA LEU A 86 -5.042 5.757 0.327 1.00 0.00 C ATOM 1304 C LEU A 86 -4.352 7.108 0.532 1.00 0.00 C ATOM 1305 O LEU A 86 -3.273 7.346 -0.009 1.00 0.00 O ATOM 1306 CB LEU A 86 -6.420 5.864 -0.327 1.00 0.00 C ATOM 1307 CG LEU A 86 -7.142 4.539 -0.589 1.00 0.00 C ATOM 1308 CD1 LEU A 86 -8.549 4.782 -1.137 1.00 0.00 C ATOM 1309 CD2 LEU A 86 -6.315 3.638 -1.509 1.00 0.00 C ATOM 0 H LEU A 86 -6.070 5.040 2.006 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.429 5.186 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.055 6.482 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.310 6.389 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.253 4.015 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.040 3.825 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.127 5.358 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.484 5.336 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.850 2.703 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.152 4.142 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.353 3.426 -1.042 1.00 0.00 H new ATOM 1321 N GLN A 87 -5.003 7.956 1.314 1.00 0.00 N ATOM 1322 CA GLN A 87 -4.467 9.276 1.596 1.00 0.00 C ATOM 1323 C GLN A 87 -2.944 9.214 1.721 1.00 0.00 C ATOM 1324 O GLN A 87 -2.225 9.668 0.832 1.00 0.00 O ATOM 1325 CB GLN A 87 -5.097 9.865 2.860 1.00 0.00 C ATOM 1326 CG GLN A 87 -4.634 11.307 3.083 1.00 0.00 C ATOM 1327 CD GLN A 87 -5.829 12.250 3.233 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -6.520 12.264 4.238 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -6.033 13.036 2.179 1.00 0.00 N ATOM 0 H GLN A 87 -5.897 7.754 1.761 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.718 9.934 0.764 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.183 9.837 2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.828 9.255 3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.011 11.359 3.976 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.016 11.628 2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.416 12.973 1.369 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.806 13.701 2.181 1.00 0.00 H new ATOM 1338 N LYS A 88 -2.495 8.649 2.833 1.00 0.00 N ATOM 1339 CA LYS A 88 -1.070 8.522 3.085 1.00 0.00 C ATOM 1340 C LYS A 88 -0.363 8.100 1.796 1.00 0.00 C ATOM 1341 O LYS A 88 0.457 8.845 1.261 1.00 0.00 O ATOM 1342 CB LYS A 88 -0.817 7.578 4.262 1.00 0.00 C ATOM 1343 CG LYS A 88 -0.885 8.330 5.593 1.00 0.00 C ATOM 1344 CD LYS A 88 -2.064 7.845 6.438 1.00 0.00 C ATOM 1345 CE LYS A 88 -2.750 9.015 7.147 1.00 0.00 C ATOM 1346 NZ LYS A 88 -2.939 8.711 8.583 1.00 0.00 N ATOM 0 H LYS A 88 -3.093 8.274 3.569 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.648 9.483 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.556 6.776 4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.162 7.111 4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.045 8.187 6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.983 9.399 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.783 7.328 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.714 7.123 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.149 9.918 7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.715 9.215 6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.406 9.515 9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.531 7.862 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.014 8.543 9.027 1.00 0.00 H new ATOM 1360 N ALA A 89 -0.707 6.907 1.333 1.00 0.00 N ATOM 1361 CA ALA A 89 -0.116 6.378 0.116 1.00 0.00 C ATOM 1362 C ALA A 89 0.012 7.501 -0.914 1.00 0.00 C ATOM 1363 O ALA A 89 1.075 7.692 -1.502 1.00 0.00 O ATOM 1364 CB ALA A 89 -0.961 5.209 -0.395 1.00 0.00 C ATOM 0 H ALA A 89 -1.388 6.292 1.779 1.00 0.00 H new ATOM 0 HA ALA A 89 0.886 5.995 0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.518 4.812 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.995 4.426 0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.973 5.556 -0.604 1.00 0.00 H new ATOM 1370 N SER A 90 -1.089 8.215 -1.104 1.00 0.00 N ATOM 1371 CA SER A 90 -1.114 9.313 -2.054 1.00 0.00 C ATOM 1372 C SER A 90 -0.096 10.381 -1.646 1.00 0.00 C ATOM 1373 O SER A 90 0.677 10.856 -2.478 1.00 0.00 O ATOM 1374 CB SER A 90 -2.513 9.924 -2.153 1.00 0.00 C ATOM 1375 OG SER A 90 -3.520 9.030 -1.689 1.00 0.00 O ATOM 0 H SER A 90 -1.970 8.054 -0.616 1.00 0.00 H new ATOM 0 HA SER A 90 -0.848 8.922 -3.036 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.549 10.844 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.718 10.195 -3.189 1.00 0.00 H new ATOM 0 HG SER A 90 -3.466 8.954 -0.713 1.00 0.00 H new ATOM 1381 N ILE A 91 -0.129 10.727 -0.368 1.00 0.00 N ATOM 1382 CA ILE A 91 0.782 11.728 0.159 1.00 0.00 C ATOM 1383 C ILE A 91 2.212 11.388 -0.267 1.00 0.00 C ATOM 1384 O ILE A 91 2.972 12.271 -0.660 1.00 0.00 O ATOM 1385 CB ILE A 91 0.608 11.865 1.674 1.00 0.00 C ATOM 1386 CG1 ILE A 91 -0.723 12.539 2.014 1.00 0.00 C ATOM 1387 CG2 ILE A 91 1.797 12.598 2.298 1.00 0.00 C ATOM 1388 CD1 ILE A 91 -0.788 12.908 3.497 1.00 0.00 C ATOM 0 H ILE A 91 -0.772 10.332 0.318 1.00 0.00 H new ATOM 0 HA ILE A 91 0.551 12.709 -0.257 1.00 0.00 H new ATOM 0 HB ILE A 91 0.583 10.865 2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.846 13.436 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.547 11.870 1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.648 12.682 3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.713 12.040 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.878 13.595 1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.744 13.385 3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.689 12.006 4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.023 13.596 3.737 1.00 0.00 H new ATOM 1400 N PHE A 92 2.532 10.106 -0.175 1.00 0.00 N ATOM 1401 CA PHE A 92 3.857 9.638 -0.546 1.00 0.00 C ATOM 1402 C PHE A 92 4.056 9.704 -2.062 1.00 0.00 C ATOM 1403 O PHE A 92 5.179 9.580 -2.550 1.00 0.00 O ATOM 1404 CB PHE A 92 3.960 8.181 -0.092 1.00 0.00 C ATOM 1405 CG PHE A 92 5.207 7.457 -0.603 1.00 0.00 C ATOM 1406 CD1 PHE A 92 6.411 7.674 -0.008 1.00 0.00 C ATOM 1407 CD2 PHE A 92 5.113 6.596 -1.652 1.00 0.00 C ATOM 1408 CE1 PHE A 92 7.569 7.002 -0.481 1.00 0.00 C ATOM 1409 CE2 PHE A 92 6.271 5.925 -2.126 1.00 0.00 C ATOM 1410 CZ PHE A 92 7.475 6.142 -1.531 1.00 0.00 C ATOM 0 H PHE A 92 1.897 9.377 0.151 1.00 0.00 H new ATOM 0 HA PHE A 92 4.618 10.264 -0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.955 8.149 0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.075 7.642 -0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.486 8.358 0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.157 6.423 -2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.524 7.174 -0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.196 5.242 -2.959 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.356 5.632 -1.892 1.00 0.00 H new ATOM 1420 N LEU A 93 2.950 9.898 -2.764 1.00 0.00 N ATOM 1421 CA LEU A 93 2.989 9.980 -4.214 1.00 0.00 C ATOM 1422 C LEU A 93 3.126 11.446 -4.633 1.00 0.00 C ATOM 1423 O LEU A 93 3.377 11.740 -5.801 1.00 0.00 O ATOM 1424 CB LEU A 93 1.775 9.277 -4.824 1.00 0.00 C ATOM 1425 CG LEU A 93 1.772 7.750 -4.739 1.00 0.00 C ATOM 1426 CD1 LEU A 93 0.879 7.142 -5.823 1.00 0.00 C ATOM 1427 CD2 LEU A 93 3.196 7.195 -4.791 1.00 0.00 C ATOM 0 H LEU A 93 2.021 10.001 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 93 3.861 9.453 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.878 9.650 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.704 9.563 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 93 1.350 7.462 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.895 6.055 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.142 7.501 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.248 7.436 -6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.165 6.107 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.668 7.492 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.771 7.590 -3.954 1.00 0.00 H new ATOM 1439 N LYS A 94 2.955 12.326 -3.658 1.00 0.00 N ATOM 1440 CA LYS A 94 3.056 13.753 -3.911 1.00 0.00 C ATOM 1441 C LYS A 94 4.245 14.321 -3.134 1.00 0.00 C ATOM 1442 O LYS A 94 5.082 15.023 -3.699 1.00 0.00 O ATOM 1443 CB LYS A 94 1.729 14.448 -3.599 1.00 0.00 C ATOM 1444 CG LYS A 94 0.792 13.518 -2.824 1.00 0.00 C ATOM 1445 CD LYS A 94 -0.384 14.296 -2.233 1.00 0.00 C ATOM 1446 CE LYS A 94 -1.161 15.032 -3.326 1.00 0.00 C ATOM 1447 NZ LYS A 94 -2.169 15.936 -2.727 1.00 0.00 N ATOM 0 H LYS A 94 2.747 12.078 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 94 3.246 13.940 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.915 15.350 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.251 14.761 -4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.420 12.736 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.344 13.023 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.050 13.611 -1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.018 15.012 -1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.472 15.606 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.653 14.311 -3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.687 16.428 -3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.836 15.381 -2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.692 16.635 -2.123 1.00 0.00 H new ATOM 1461 N THR A 95 4.282 13.997 -1.850 1.00 0.00 N ATOM 1462 CA THR A 95 5.354 14.466 -0.990 1.00 0.00 C ATOM 1463 C THR A 95 6.608 13.611 -1.185 1.00 0.00 C ATOM 1464 O THR A 95 7.701 14.005 -0.783 1.00 0.00 O ATOM 1465 CB THR A 95 4.839 14.467 0.451 1.00 0.00 C ATOM 1466 OG1 THR A 95 4.708 13.086 0.775 1.00 0.00 O ATOM 1467 CG2 THR A 95 3.414 15.012 0.563 1.00 0.00 C ATOM 0 H THR A 95 3.586 13.415 -1.384 1.00 0.00 H new ATOM 0 HA THR A 95 5.649 15.484 -1.246 1.00 0.00 H new ATOM 0 HB THR A 95 5.506 15.063 1.074 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.411 12.591 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.097 14.991 1.606 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.387 16.038 0.196 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.741 14.396 -0.033 1.00 0.00 H new ATOM 1475 N ARG A 96 6.407 12.456 -1.803 1.00 0.00 N ATOM 1476 CA ARG A 96 7.507 11.542 -2.057 1.00 0.00 C ATOM 1477 C ARG A 96 8.438 11.481 -0.844 1.00 0.00 C ATOM 1478 O ARG A 96 9.655 11.594 -0.984 1.00 0.00 O ATOM 1479 CB ARG A 96 8.311 11.974 -3.286 1.00 0.00 C ATOM 1480 CG ARG A 96 7.459 11.891 -4.555 1.00 0.00 C ATOM 1481 CD ARG A 96 7.107 10.438 -4.885 1.00 0.00 C ATOM 1482 NE ARG A 96 7.851 9.998 -6.085 1.00 0.00 N ATOM 1483 CZ ARG A 96 7.730 8.785 -6.641 1.00 0.00 C ATOM 1484 NH1 ARG A 96 6.894 7.884 -6.106 1.00 0.00 N ATOM 1485 NH2 ARG A 96 8.444 8.472 -7.731 1.00 0.00 N ATOM 0 H ARG A 96 5.498 12.133 -2.135 1.00 0.00 H new ATOM 0 HA ARG A 96 7.081 10.556 -2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.670 12.994 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.190 11.339 -3.392 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.545 12.469 -4.422 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.999 12.337 -5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.351 9.795 -4.039 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.035 10.345 -5.057 1.00 0.00 H new ATOM 0 HE ARG A 96 8.497 10.659 -6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.351 8.122 -5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.801 6.960 -6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.080 9.157 -8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.351 7.548 -8.154 1.00 0.00 H new ATOM 1499 N VAL A 97 7.829 11.302 0.320 1.00 0.00 N ATOM 1500 CA VAL A 97 8.589 11.225 1.556 1.00 0.00 C ATOM 1501 C VAL A 97 7.709 10.618 2.652 1.00 0.00 C ATOM 1502 O VAL A 97 6.762 11.254 3.115 1.00 0.00 O ATOM 1503 CB VAL A 97 9.134 12.607 1.923 1.00 0.00 C ATOM 1504 CG1 VAL A 97 7.994 13.595 2.180 1.00 0.00 C ATOM 1505 CG2 VAL A 97 10.070 12.524 3.131 1.00 0.00 C ATOM 0 H VAL A 97 6.820 11.208 0.433 1.00 0.00 H new ATOM 0 HA VAL A 97 9.454 10.573 1.434 1.00 0.00 H new ATOM 0 HB VAL A 97 9.712 12.975 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.408 14.569 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.383 13.687 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.377 13.233 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 97 10.443 13.520 3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.525 12.125 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.909 11.869 2.897 1.00 0.00 H new ATOM 1515 N VAL A 98 8.053 9.398 3.034 1.00 0.00 N ATOM 1516 CA VAL A 98 7.307 8.699 4.068 1.00 0.00 C ATOM 1517 C VAL A 98 7.408 9.480 5.380 1.00 0.00 C ATOM 1518 O VAL A 98 8.278 10.336 5.532 1.00 0.00 O ATOM 1519 CB VAL A 98 7.806 7.259 4.189 1.00 0.00 C ATOM 1520 CG1 VAL A 98 7.064 6.337 3.218 1.00 0.00 C ATOM 1521 CG2 VAL A 98 9.319 7.181 3.971 1.00 0.00 C ATOM 0 H VAL A 98 8.838 8.875 2.647 1.00 0.00 H new ATOM 0 HA VAL A 98 6.251 8.642 3.805 1.00 0.00 H new ATOM 0 HB VAL A 98 7.596 6.917 5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.438 5.319 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.997 6.357 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.227 6.678 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.647 6.146 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.563 7.552 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.826 7.790 4.719 1.00 0.00 H new ATOM 1531 N PRO A 99 6.482 9.147 6.319 1.00 0.00 N ATOM 1532 CA PRO A 99 6.458 9.806 7.613 1.00 0.00 C ATOM 1533 C PRO A 99 7.595 9.304 8.506 1.00 0.00 C ATOM 1534 O PRO A 99 8.092 8.194 8.318 1.00 0.00 O ATOM 1535 CB PRO A 99 5.080 9.509 8.181 1.00 0.00 C ATOM 1536 CG PRO A 99 4.556 8.315 7.399 1.00 0.00 C ATOM 1537 CD PRO A 99 5.437 8.138 6.174 1.00 0.00 C ATOM 0 HA PRO A 99 6.620 10.881 7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.137 9.284 9.246 1.00 0.00 H new ATOM 0 HB3 PRO A 99 4.419 10.369 8.071 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.575 7.417 8.016 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.519 8.477 7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.859 7.134 6.132 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.870 8.284 5.254 1.00 0.00 H new ATOM 1545 N ASP A 100 7.972 10.144 9.458 1.00 0.00 N ATOM 1546 CA ASP A 100 9.041 9.799 10.381 1.00 0.00 C ATOM 1547 C ASP A 100 8.753 8.430 10.998 1.00 0.00 C ATOM 1548 O ASP A 100 9.673 7.719 11.400 1.00 0.00 O ATOM 1549 CB ASP A 100 9.138 10.819 11.517 1.00 0.00 C ATOM 1550 CG ASP A 100 10.240 11.868 11.351 1.00 0.00 C ATOM 1551 OD1 ASP A 100 10.598 12.136 10.183 1.00 0.00 O ATOM 1552 OD2 ASP A 100 10.699 12.378 12.396 1.00 0.00 O ATOM 0 H ASP A 100 7.557 11.063 9.611 1.00 0.00 H new ATOM 0 HA ASP A 100 9.978 9.790 9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.180 11.331 11.608 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.304 10.284 12.452 1.00 0.00 H new ATOM 1557 N ASN A 101 7.471 8.098 11.054 1.00 0.00 N ATOM 1558 CA ASN A 101 7.050 6.827 11.615 1.00 0.00 C ATOM 1559 C ASN A 101 7.719 5.687 10.845 1.00 0.00 C ATOM 1560 O ASN A 101 8.090 4.671 11.430 1.00 0.00 O ATOM 1561 CB ASN A 101 5.534 6.648 11.502 1.00 0.00 C ATOM 1562 CG ASN A 101 5.053 5.481 12.365 1.00 0.00 C ATOM 1563 OD1 ASN A 101 5.325 4.323 12.097 1.00 0.00 O ATOM 1564 ND2 ASN A 101 4.324 5.850 13.415 1.00 0.00 N ATOM 0 H ASN A 101 6.710 8.689 10.719 1.00 0.00 H new ATOM 0 HA ASN A 101 7.337 6.812 12.666 1.00 0.00 H new ATOM 0 HB2 ASN A 101 5.032 7.565 11.812 1.00 0.00 H new ATOM 0 HB3 ASN A 101 5.262 6.472 10.461 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.956 5.145 14.053 1.00 0.00 H new ATOM 0 HD22 ASN A 101 4.133 6.838 13.582 1.00 0.00 H new ATOM 1571 N TRP A 102 7.853 5.895 9.543 1.00 0.00 N ATOM 1572 CA TRP A 102 8.472 4.897 8.686 1.00 0.00 C ATOM 1573 C TRP A 102 9.983 4.953 8.910 1.00 0.00 C ATOM 1574 O TRP A 102 10.588 3.969 9.333 1.00 0.00 O ATOM 1575 CB TRP A 102 8.076 5.110 7.223 1.00 0.00 C ATOM 1576 CG TRP A 102 6.606 4.810 6.926 1.00 0.00 C ATOM 1577 CD1 TRP A 102 5.529 5.177 7.634 1.00 0.00 C ATOM 1578 CD2 TRP A 102 6.091 4.060 5.805 1.00 0.00 C ATOM 1579 NE1 TRP A 102 4.363 4.721 7.054 1.00 0.00 N ATOM 1580 CE2 TRP A 102 4.715 4.020 5.907 1.00 0.00 C ATOM 1581 CE3 TRP A 102 6.765 3.437 4.741 1.00 0.00 C ATOM 1582 CZ2 TRP A 102 3.896 3.368 4.978 1.00 0.00 C ATOM 1583 CZ3 TRP A 102 5.932 2.789 3.820 1.00 0.00 C ATOM 1584 CH2 TRP A 102 4.546 2.739 3.909 1.00 0.00 C ATOM 0 H TRP A 102 7.544 6.739 9.061 1.00 0.00 H new ATOM 0 HA TRP A 102 8.120 3.898 8.941 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.288 6.143 6.947 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.700 4.477 6.593 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.569 5.757 8.544 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.416 4.871 7.403 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.840 3.456 4.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.821 3.351 5.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 6.400 2.294 2.982 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.973 2.217 3.157 1.00 0.00 H new