USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 578 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 11 TYR OH : rot 180:sc= -0.4 USER MOD Single : A 12 LYS NZ :NH3+ 154:sc= -0.273 (180deg=-1.26) USER MOD Single : A 13 GLN : amide:sc= -0.0425 K(o=-0.043,f=-1.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot -130:sc= -3.95 USER MOD Single : A 31 ASN : amide:sc= -2.11 K(o=-2.1,f=-6.1!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.671 K(o=-0.67,f=-5!) USER MOD Single : A 40 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.89) USER MOD Single : A 56 SER OG : rot -146:sc= 1.2 USER MOD Single : A 57 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-3.1!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 173:sc=0.000224 USER MOD Single : A 63 HIS : no HE2:sc= -7.52! C(o=-7.5!,f=-8.4!) USER MOD Single : A 64 GLN : amide:sc= -0.0115 X(o=-0.012,f=-0.0069) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 37:sc= 0.117 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00774) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.675 4.321 -4.422 1.00 0.00 N ATOM 125 CA TYR A 11 11.386 4.407 -3.001 1.00 0.00 C ATOM 126 C TYR A 11 10.505 5.618 -2.692 1.00 0.00 C ATOM 127 O TYR A 11 10.386 6.529 -3.511 1.00 0.00 O ATOM 128 CB TYR A 11 12.738 4.584 -2.306 1.00 0.00 C ATOM 129 CG TYR A 11 13.545 3.291 -2.176 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.918 2.120 -1.802 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.901 3.295 -2.434 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.678 0.903 -1.680 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.661 2.078 -2.312 1.00 0.00 C ATOM 134 CZ TYR A 11 15.012 0.942 -1.941 1.00 0.00 C ATOM 135 OH TYR A 11 15.730 -0.207 -1.826 1.00 0.00 O ATOM 0 HA TYR A 11 10.855 3.517 -2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.327 5.314 -2.861 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.572 4.998 -1.311 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.857 2.116 -1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.392 4.211 -2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.199 -0.020 -1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.723 2.068 -2.511 1.00 0.00 H new ATOM 0 HH TYR A 11 16.669 -0.029 -2.044 1.00 0.00 H new ATOM 145 N LYS A 12 9.909 5.591 -1.509 1.00 0.00 N ATOM 146 CA LYS A 12 9.042 6.676 -1.082 1.00 0.00 C ATOM 147 C LYS A 12 8.189 7.137 -2.265 1.00 0.00 C ATOM 148 O LYS A 12 8.300 8.279 -2.708 1.00 0.00 O ATOM 149 CB LYS A 12 9.863 7.798 -0.442 1.00 0.00 C ATOM 150 CG LYS A 12 9.359 8.110 0.968 1.00 0.00 C ATOM 151 CD LYS A 12 10.000 7.178 1.998 1.00 0.00 C ATOM 152 CE LYS A 12 9.371 5.784 1.942 1.00 0.00 C ATOM 153 NZ LYS A 12 9.829 4.963 3.085 1.00 0.00 N ATOM 0 H LYS A 12 10.010 4.834 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 12 8.356 6.333 -0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.913 7.507 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.804 8.694 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.587 9.146 1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.275 8.005 1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.071 7.105 1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.878 7.596 2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.284 5.868 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.638 5.295 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.116 4.237 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.730 4.503 2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.963 5.571 3.918 1.00 0.00 H new ATOM 167 N GLN A 13 7.356 6.224 -2.744 1.00 0.00 N ATOM 168 CA GLN A 13 6.484 6.523 -3.868 1.00 0.00 C ATOM 169 C GLN A 13 5.104 5.900 -3.648 1.00 0.00 C ATOM 170 O GLN A 13 4.994 4.703 -3.387 1.00 0.00 O ATOM 171 CB GLN A 13 7.101 6.041 -5.183 1.00 0.00 C ATOM 172 CG GLN A 13 6.058 6.022 -6.302 1.00 0.00 C ATOM 173 CD GLN A 13 6.727 5.908 -7.673 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.935 6.010 -7.813 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.878 5.692 -8.674 1.00 0.00 N ATOM 0 H GLN A 13 7.266 5.277 -2.375 1.00 0.00 H new ATOM 0 HA GLN A 13 6.366 7.605 -3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.928 6.694 -5.462 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.515 5.042 -5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.377 5.184 -6.155 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.458 6.931 -6.260 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.878 5.617 -8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.227 5.602 -9.628 1.00 0.00 H new ATOM 184 N ILE A 14 4.086 6.740 -3.763 1.00 0.00 N ATOM 185 CA ILE A 14 2.718 6.287 -3.581 1.00 0.00 C ATOM 186 C ILE A 14 2.262 5.537 -4.834 1.00 0.00 C ATOM 187 O ILE A 14 2.384 6.048 -5.946 1.00 0.00 O ATOM 188 CB ILE A 14 1.811 7.460 -3.203 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.379 8.229 -2.009 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.378 6.986 -2.950 1.00 0.00 C ATOM 191 CD1 ILE A 14 1.880 7.640 -0.688 1.00 0.00 C ATOM 0 H ILE A 14 4.181 7.732 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 14 2.657 5.585 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 14 1.778 8.151 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.468 8.197 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.089 9.278 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.246 7.839 -2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.015 6.517 -3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.373 6.263 -2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.299 8.206 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.792 7.695 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.193 6.599 -0.613 1.00 0.00 H new ATOM 203 N VAL A 15 1.748 4.336 -4.612 1.00 0.00 N ATOM 204 CA VAL A 15 1.273 3.510 -5.709 1.00 0.00 C ATOM 205 C VAL A 15 0.019 2.754 -5.268 1.00 0.00 C ATOM 206 O VAL A 15 -0.350 2.788 -4.095 1.00 0.00 O ATOM 207 CB VAL A 15 2.393 2.584 -6.188 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.256 3.270 -7.249 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.246 2.102 -5.014 1.00 0.00 C ATOM 0 H VAL A 15 1.650 3.915 -3.688 1.00 0.00 H new ATOM 0 HA VAL A 15 0.994 4.130 -6.561 1.00 0.00 H new ATOM 0 HB VAL A 15 1.931 1.710 -6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.044 2.590 -7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.636 3.539 -8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.704 4.170 -6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.034 1.446 -5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.693 2.960 -4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.619 1.556 -4.309 1.00 0.00 H new ATOM 219 N TRP A 16 -0.602 2.089 -6.231 1.00 0.00 N ATOM 220 CA TRP A 16 -1.807 1.326 -5.956 1.00 0.00 C ATOM 221 C TRP A 16 -1.430 -0.157 -5.918 1.00 0.00 C ATOM 222 O TRP A 16 -1.124 -0.749 -6.952 1.00 0.00 O ATOM 223 CB TRP A 16 -2.900 1.638 -6.980 1.00 0.00 C ATOM 224 CG TRP A 16 -3.694 2.911 -6.675 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.496 4.143 -7.162 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.826 3.025 -5.787 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.414 5.040 -6.656 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.249 4.339 -5.793 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.471 2.052 -5.005 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.333 4.799 -5.036 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.553 2.527 -4.254 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.991 3.847 -4.249 1.00 0.00 C ATOM 0 H TRP A 16 -0.293 2.063 -7.203 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.226 1.604 -4.989 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.444 1.734 -7.965 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.589 0.795 -7.029 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.716 4.402 -7.863 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.470 6.035 -6.875 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.157 1.019 -4.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.645 5.833 -5.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.085 1.819 -3.635 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.835 4.136 -3.641 1.00 0.00 H new ATOM 243 N VAL A 17 -1.464 -0.713 -4.716 1.00 0.00 N ATOM 244 CA VAL A 17 -1.129 -2.114 -4.531 1.00 0.00 C ATOM 245 C VAL A 17 -2.239 -2.983 -5.125 1.00 0.00 C ATOM 246 O VAL A 17 -3.418 -2.768 -4.845 1.00 0.00 O ATOM 247 CB VAL A 17 -0.875 -2.400 -3.049 1.00 0.00 C ATOM 248 CG1 VAL A 17 -1.573 -3.690 -2.612 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.624 -2.459 -2.751 1.00 0.00 C ATOM 0 H VAL A 17 -1.718 -0.218 -3.861 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.207 -2.359 -5.059 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.299 -1.578 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.376 -3.870 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.647 -3.594 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.193 -4.526 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.777 -2.663 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.082 -3.252 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.084 -1.504 -3.006 1.00 0.00 H new ATOM 259 N LYS A 18 -1.824 -3.945 -5.936 1.00 0.00 N ATOM 260 CA LYS A 18 -2.769 -4.847 -6.573 1.00 0.00 C ATOM 261 C LYS A 18 -2.948 -6.090 -5.700 1.00 0.00 C ATOM 262 O LYS A 18 -1.973 -6.756 -5.355 1.00 0.00 O ATOM 263 CB LYS A 18 -2.331 -5.158 -8.005 1.00 0.00 C ATOM 264 CG LYS A 18 -3.338 -6.078 -8.699 1.00 0.00 C ATOM 265 CD LYS A 18 -2.623 -7.149 -9.525 1.00 0.00 C ATOM 266 CE LYS A 18 -2.970 -8.552 -9.021 1.00 0.00 C ATOM 267 NZ LYS A 18 -1.893 -9.507 -9.365 1.00 0.00 N ATOM 0 H LYS A 18 -0.846 -4.120 -6.167 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.748 -4.375 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.232 -4.230 -8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.349 -5.630 -7.994 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.975 -6.554 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.989 -5.489 -9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.907 -7.055 -10.573 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.545 -6.996 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.115 -8.531 -7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.911 -8.881 -9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.144 -10.454 -9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.774 -9.539 -10.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.003 -9.200 -8.923 1.00 0.00 H new ATOM 366 N TRP A 24 -8.770 -2.602 -5.128 1.00 0.00 N ATOM 367 CA TRP A 24 -7.332 -2.560 -4.925 1.00 0.00 C ATOM 368 C TRP A 24 -7.066 -1.923 -3.560 1.00 0.00 C ATOM 369 O TRP A 24 -8.000 -1.582 -2.837 1.00 0.00 O ATOM 370 CB TRP A 24 -6.638 -1.825 -6.074 1.00 0.00 C ATOM 371 CG TRP A 24 -6.754 -2.532 -7.425 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.829 -3.132 -7.954 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.706 -2.689 -8.406 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.553 -3.662 -9.197 1.00 0.00 N ATOM 375 CE2 TRP A 24 -6.221 -3.385 -9.481 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.368 -2.259 -8.384 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -5.467 -3.711 -10.615 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -3.628 -2.592 -9.525 1.00 0.00 C ATOM 379 CH2 TRP A 24 -4.131 -3.292 -10.616 1.00 0.00 C ATOM 0 HA TRP A 24 -6.912 -3.566 -4.927 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.063 -0.825 -6.161 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.583 -1.703 -5.829 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.791 -3.193 -7.468 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -8.206 -4.165 -9.798 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.944 -1.715 -7.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.893 -4.256 -11.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.594 -2.283 -9.560 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.494 -3.511 -11.460 1.00 0.00 H new ATOM 390 N TRP A 25 -5.786 -1.782 -3.248 1.00 0.00 N ATOM 391 CA TRP A 25 -5.384 -1.193 -1.982 1.00 0.00 C ATOM 392 C TRP A 25 -4.194 -0.269 -2.247 1.00 0.00 C ATOM 393 O TRP A 25 -3.238 -0.659 -2.916 1.00 0.00 O ATOM 394 CB TRP A 25 -5.081 -2.275 -0.945 1.00 0.00 C ATOM 395 CG TRP A 25 -5.147 -1.785 0.503 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.180 -1.197 1.220 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.285 -1.865 1.387 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.609 -0.894 2.496 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.930 -1.313 2.601 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.572 -2.387 1.168 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.805 -1.229 3.690 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.435 -2.296 2.267 1.00 0.00 C ATOM 403 CH2 TRP A 25 -8.093 -1.743 3.496 1.00 0.00 C ATOM 0 H TRP A 25 -5.013 -2.066 -3.851 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.196 -0.602 -1.557 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.788 -3.095 -1.073 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.087 -2.679 -1.136 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.189 -0.987 0.846 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -4.058 -0.445 3.228 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.871 -2.824 0.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.503 -0.791 4.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.437 -2.683 2.152 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.817 -1.710 4.297 1.00 0.00 H new ATOM 414 N PRO A 26 -4.293 0.970 -1.695 1.00 0.00 N ATOM 415 CA PRO A 26 -3.236 1.952 -1.865 1.00 0.00 C ATOM 416 C PRO A 26 -2.030 1.618 -0.984 1.00 0.00 C ATOM 417 O PRO A 26 -2.186 1.060 0.101 1.00 0.00 O ATOM 418 CB PRO A 26 -3.877 3.285 -1.514 1.00 0.00 C ATOM 419 CG PRO A 26 -5.127 2.949 -0.718 1.00 0.00 C ATOM 420 CD PRO A 26 -5.410 1.466 -0.897 1.00 0.00 C ATOM 0 HA PRO A 26 -2.839 1.971 -2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.196 3.904 -0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.126 3.848 -2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.983 3.185 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.972 3.543 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.468 0.955 0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.362 1.303 -1.403 1.00 0.00 H new ATOM 428 N ALA A 27 -0.856 1.974 -1.484 1.00 0.00 N ATOM 429 CA ALA A 27 0.375 1.719 -0.756 1.00 0.00 C ATOM 430 C ALA A 27 1.495 2.584 -1.338 1.00 0.00 C ATOM 431 O ALA A 27 1.337 3.176 -2.404 1.00 0.00 O ATOM 432 CB ALA A 27 0.703 0.226 -0.813 1.00 0.00 C ATOM 0 H ALA A 27 -0.731 2.437 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 27 0.262 1.988 0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.627 0.035 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.110 -0.343 -0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.826 -0.080 -1.852 1.00 0.00 H new ATOM 438 N GLU A 28 2.602 2.631 -0.611 1.00 0.00 N ATOM 439 CA GLU A 28 3.748 3.414 -1.042 1.00 0.00 C ATOM 440 C GLU A 28 5.039 2.618 -0.843 1.00 0.00 C ATOM 441 O GLU A 28 5.227 1.981 0.192 1.00 0.00 O ATOM 442 CB GLU A 28 3.808 4.751 -0.300 1.00 0.00 C ATOM 443 CG GLU A 28 5.211 5.356 -0.375 1.00 0.00 C ATOM 444 CD GLU A 28 5.966 5.154 0.940 1.00 0.00 C ATOM 445 OE1 GLU A 28 6.519 4.047 1.113 1.00 0.00 O ATOM 446 OE2 GLU A 28 5.973 6.112 1.743 1.00 0.00 O ATOM 0 H GLU A 28 2.730 2.140 0.274 1.00 0.00 H new ATOM 0 HA GLU A 28 3.638 3.630 -2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.086 5.444 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.526 4.605 0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.766 4.895 -1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.140 6.421 -0.598 1.00 0.00 H new ATOM 453 N ILE A 29 5.896 2.680 -1.851 1.00 0.00 N ATOM 454 CA ILE A 29 7.165 1.973 -1.801 1.00 0.00 C ATOM 455 C ILE A 29 8.038 2.581 -0.701 1.00 0.00 C ATOM 456 O ILE A 29 8.202 3.798 -0.635 1.00 0.00 O ATOM 457 CB ILE A 29 7.829 1.964 -3.179 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.944 1.258 -4.209 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.229 1.351 -3.109 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.486 1.458 -5.626 1.00 0.00 C ATOM 0 H ILE A 29 5.737 3.209 -2.708 1.00 0.00 H new ATOM 0 HA ILE A 29 7.008 0.926 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 29 7.946 2.996 -3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.894 0.193 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.927 1.645 -4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.679 1.357 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.848 1.934 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.159 0.325 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.839 0.946 -6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.512 2.523 -5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.494 1.048 -5.691 1.00 0.00 H new ATOM 472 N CYS A 30 8.577 1.705 0.134 1.00 0.00 N ATOM 473 CA CYS A 30 9.430 2.139 1.227 1.00 0.00 C ATOM 474 C CYS A 30 10.841 1.603 0.978 1.00 0.00 C ATOM 475 O CYS A 30 11.048 0.779 0.088 1.00 0.00 O ATOM 476 CB CYS A 30 8.881 1.694 2.584 1.00 0.00 C ATOM 477 SG CYS A 30 8.600 -0.114 2.582 1.00 0.00 S ATOM 0 H CYS A 30 8.439 0.696 0.075 1.00 0.00 H new ATOM 0 HA CYS A 30 9.457 3.228 1.260 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.582 1.961 3.375 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.948 2.215 2.797 1.00 0.00 H new ATOM 0 HG CYS A 30 7.402 -0.367 3.017 1.00 0.00 H new ATOM 483 N ASN A 31 11.776 2.092 1.780 1.00 0.00 N ATOM 484 CA ASN A 31 13.161 1.672 1.657 1.00 0.00 C ATOM 485 C ASN A 31 13.433 0.532 2.641 1.00 0.00 C ATOM 486 O ASN A 31 12.735 0.394 3.644 1.00 0.00 O ATOM 487 CB ASN A 31 14.116 2.821 1.989 1.00 0.00 C ATOM 488 CG ASN A 31 13.915 3.996 1.031 1.00 0.00 C ATOM 489 OD1 ASN A 31 12.812 4.468 0.810 1.00 0.00 O ATOM 490 ND2 ASN A 31 15.039 4.439 0.475 1.00 0.00 N ATOM 0 H ASN A 31 11.601 2.775 2.517 1.00 0.00 H new ATOM 0 HA ASN A 31 13.326 1.351 0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.951 3.151 3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.146 2.471 1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.010 5.220 -0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.930 3.998 0.704 1.00 0.00 H new ATOM 497 N PRO A 32 14.475 -0.276 2.310 1.00 0.00 N ATOM 498 CA PRO A 32 14.848 -1.400 3.153 1.00 0.00 C ATOM 499 C PRO A 32 15.572 -0.923 4.413 1.00 0.00 C ATOM 500 O PRO A 32 15.637 -1.646 5.407 1.00 0.00 O ATOM 501 CB PRO A 32 15.713 -2.284 2.269 1.00 0.00 C ATOM 502 CG PRO A 32 16.174 -1.402 1.121 1.00 0.00 C ATOM 503 CD PRO A 32 15.324 -0.142 1.130 1.00 0.00 C ATOM 0 HA PRO A 32 13.985 -1.953 3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.564 -2.678 2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.148 -3.140 1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.229 -1.151 1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.069 -1.926 0.171 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.943 0.753 1.187 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.728 -0.060 0.221 1.00 0.00 H new ATOM 511 N ARG A 33 16.099 0.290 4.332 1.00 0.00 N ATOM 512 CA ARG A 33 16.816 0.871 5.454 1.00 0.00 C ATOM 513 C ARG A 33 15.830 1.395 6.500 1.00 0.00 C ATOM 514 O ARG A 33 16.165 1.493 7.679 1.00 0.00 O ATOM 515 CB ARG A 33 17.720 2.018 4.995 1.00 0.00 C ATOM 516 CG ARG A 33 18.890 1.493 4.161 1.00 0.00 C ATOM 517 CD ARG A 33 20.044 1.042 5.057 1.00 0.00 C ATOM 518 NE ARG A 33 21.148 2.026 4.996 1.00 0.00 N ATOM 519 CZ ARG A 33 22.345 1.850 5.572 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.600 0.726 6.255 1.00 0.00 N ATOM 521 NH2 ARG A 33 23.286 2.797 5.464 1.00 0.00 N ATOM 0 H ARG A 33 16.044 0.886 3.506 1.00 0.00 H new ATOM 0 HA ARG A 33 17.435 0.089 5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.140 2.730 4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.100 2.556 5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.556 0.658 3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.236 2.272 3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 33 19.697 0.936 6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.401 0.063 4.738 1.00 0.00 H new ATOM 0 HE ARG A 33 20.987 2.893 4.483 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.883 0.005 6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.511 0.591 6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.091 3.652 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.197 2.663 5.903 1.00 0.00 H new ATOM 535 N SER A 34 14.634 1.718 6.030 1.00 0.00 N ATOM 536 CA SER A 34 13.597 2.229 6.910 1.00 0.00 C ATOM 537 C SER A 34 12.890 1.070 7.615 1.00 0.00 C ATOM 538 O SER A 34 13.009 0.911 8.828 1.00 0.00 O ATOM 539 CB SER A 34 12.586 3.076 6.136 1.00 0.00 C ATOM 540 OG SER A 34 12.432 4.375 6.703 1.00 0.00 O ATOM 0 H SER A 34 14.360 1.636 5.051 1.00 0.00 H new ATOM 0 HA SER A 34 14.068 2.867 7.658 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.909 3.169 5.099 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.621 2.569 6.125 1.00 0.00 H new ATOM 0 HG SER A 34 11.780 4.885 6.179 1.00 0.00 H new ATOM 546 N VAL A 35 12.169 0.289 6.822 1.00 0.00 N ATOM 547 CA VAL A 35 11.443 -0.851 7.355 1.00 0.00 C ATOM 548 C VAL A 35 12.320 -1.577 8.377 1.00 0.00 C ATOM 549 O VAL A 35 13.544 -1.465 8.340 1.00 0.00 O ATOM 550 CB VAL A 35 10.982 -1.757 6.212 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.184 -0.967 5.173 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.170 -2.471 5.564 1.00 0.00 C ATOM 0 H VAL A 35 12.073 0.424 5.816 1.00 0.00 H new ATOM 0 HA VAL A 35 10.543 -0.522 7.875 1.00 0.00 H new ATOM 0 HB VAL A 35 10.324 -2.517 6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.869 -1.635 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.306 -0.528 5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.808 -0.175 4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.814 -3.108 4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.865 -1.732 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.678 -3.082 6.310 1.00 0.00 H new ATOM 562 N PRO A 36 11.642 -2.324 9.288 1.00 0.00 N ATOM 563 CA PRO A 36 12.346 -3.069 10.318 1.00 0.00 C ATOM 564 C PRO A 36 13.009 -4.319 9.736 1.00 0.00 C ATOM 565 O PRO A 36 12.616 -4.795 8.672 1.00 0.00 O ATOM 566 CB PRO A 36 11.289 -3.389 11.363 1.00 0.00 C ATOM 567 CG PRO A 36 9.949 -3.221 10.667 1.00 0.00 C ATOM 568 CD PRO A 36 10.192 -2.480 9.362 1.00 0.00 C ATOM 0 HA PRO A 36 13.166 -2.503 10.760 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.408 -4.405 11.740 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.371 -2.719 12.219 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.494 -4.193 10.475 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.257 -2.664 11.299 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.810 -3.043 8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.689 -1.513 9.356 1.00 0.00 H new ATOM 576 N LEU A 37 14.003 -4.813 10.458 1.00 0.00 N ATOM 577 CA LEU A 37 14.724 -5.998 10.026 1.00 0.00 C ATOM 578 C LEU A 37 13.724 -7.112 9.710 1.00 0.00 C ATOM 579 O LEU A 37 13.851 -7.796 8.696 1.00 0.00 O ATOM 580 CB LEU A 37 15.777 -6.393 11.064 1.00 0.00 C ATOM 581 CG LEU A 37 17.235 -6.163 10.662 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.605 -7.002 9.437 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.515 -4.675 10.443 1.00 0.00 C ATOM 0 H LEU A 37 14.326 -4.414 11.339 1.00 0.00 H new ATOM 0 HA LEU A 37 15.275 -5.794 9.108 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.582 -5.836 11.981 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.648 -7.450 11.299 1.00 0.00 H new ATOM 0 HG LEU A 37 17.872 -6.493 11.483 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.647 -6.820 9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.468 -8.059 9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.964 -6.726 8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.558 -4.539 10.158 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.870 -4.296 9.650 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.316 -4.128 11.365 1.00 0.00 H new ATOM 595 N ASN A 38 12.752 -7.260 10.598 1.00 0.00 N ATOM 596 CA ASN A 38 11.730 -8.279 10.427 1.00 0.00 C ATOM 597 C ASN A 38 11.321 -8.342 8.954 1.00 0.00 C ATOM 598 O ASN A 38 11.010 -9.414 8.438 1.00 0.00 O ATOM 599 CB ASN A 38 10.483 -7.953 11.251 1.00 0.00 C ATOM 600 CG ASN A 38 9.345 -8.923 10.930 1.00 0.00 C ATOM 601 OD1 ASN A 38 8.505 -8.676 10.080 1.00 0.00 O ATOM 602 ND2 ASN A 38 9.362 -10.038 11.655 1.00 0.00 N ATOM 0 H ASN A 38 12.650 -6.691 11.438 1.00 0.00 H new ATOM 0 HA ASN A 38 12.143 -9.231 10.761 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.721 -8.005 12.313 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.164 -6.931 11.045 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.643 -10.748 11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.094 -10.183 12.351 1.00 0.00 H new ATOM 609 N ILE A 39 11.334 -7.179 8.319 1.00 0.00 N ATOM 610 CA ILE A 39 10.968 -7.089 6.916 1.00 0.00 C ATOM 611 C ILE A 39 12.177 -7.453 6.053 1.00 0.00 C ATOM 612 O ILE A 39 12.104 -8.362 5.228 1.00 0.00 O ATOM 613 CB ILE A 39 10.381 -5.711 6.603 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.320 -5.319 7.633 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.840 -5.657 5.173 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.347 -6.474 7.884 1.00 0.00 C ATOM 0 H ILE A 39 11.592 -6.292 8.750 1.00 0.00 H new ATOM 0 HA ILE A 39 10.181 -7.806 6.681 1.00 0.00 H new ATOM 0 HB ILE A 39 11.182 -4.975 6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.803 -5.036 8.568 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.771 -4.446 7.281 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.429 -4.667 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.648 -5.860 4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.057 -6.406 5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.603 -6.169 8.620 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.848 -6.739 6.952 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.896 -7.337 8.259 1.00 0.00 H new ATOM 628 N GLN A 40 13.262 -6.725 6.274 1.00 0.00 N ATOM 629 CA GLN A 40 14.486 -6.960 5.527 1.00 0.00 C ATOM 630 C GLN A 40 14.747 -8.462 5.395 1.00 0.00 C ATOM 631 O GLN A 40 15.083 -8.944 4.314 1.00 0.00 O ATOM 632 CB GLN A 40 15.673 -6.253 6.183 1.00 0.00 C ATOM 633 CG GLN A 40 15.463 -4.737 6.209 1.00 0.00 C ATOM 634 CD GLN A 40 16.702 -4.021 6.751 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.827 -4.302 6.375 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.431 -3.083 7.654 1.00 0.00 N ATOM 0 H GLN A 40 13.319 -5.972 6.960 1.00 0.00 H new ATOM 0 HA GLN A 40 14.364 -6.543 4.527 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.804 -6.623 7.200 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.587 -6.488 5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.243 -4.379 5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.599 -4.496 6.829 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.465 -2.899 7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.189 -2.548 8.077 1.00 0.00 H new ATOM 645 N GLY A 41 14.583 -9.159 6.509 1.00 0.00 N ATOM 646 CA GLY A 41 14.797 -10.596 6.532 1.00 0.00 C ATOM 647 C GLY A 41 14.095 -11.273 5.352 1.00 0.00 C ATOM 648 O GLY A 41 14.557 -12.300 4.857 1.00 0.00 O ATOM 0 H GLY A 41 14.304 -8.755 7.403 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.865 -10.809 6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.422 -11.008 7.469 1.00 0.00 H new ATOM 652 N LEU A 42 12.991 -10.670 4.936 1.00 0.00 N ATOM 653 CA LEU A 42 12.222 -11.201 3.824 1.00 0.00 C ATOM 654 C LEU A 42 13.128 -11.329 2.597 1.00 0.00 C ATOM 655 O LEU A 42 13.730 -10.349 2.162 1.00 0.00 O ATOM 656 CB LEU A 42 10.974 -10.351 3.581 1.00 0.00 C ATOM 657 CG LEU A 42 10.077 -10.113 4.798 1.00 0.00 C ATOM 658 CD1 LEU A 42 9.330 -8.783 4.677 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.122 -11.289 5.014 1.00 0.00 C ATOM 0 H LEU A 42 12.611 -9.819 5.349 1.00 0.00 H new ATOM 0 HA LEU A 42 11.857 -12.201 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.288 -9.383 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.378 -10.829 2.804 1.00 0.00 H new ATOM 0 HG LEU A 42 10.711 -10.047 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.700 -8.638 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.049 -7.967 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.708 -8.795 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.496 -11.094 5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.491 -11.412 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.698 -12.200 5.177 1.00 0.00 H new ATOM 748 N ASP A 48 11.832 -6.673 -6.876 1.00 0.00 N ATOM 749 CA ASP A 48 10.919 -6.686 -5.746 1.00 0.00 C ATOM 750 C ASP A 48 11.484 -5.805 -4.629 1.00 0.00 C ATOM 751 O ASP A 48 12.573 -6.066 -4.119 1.00 0.00 O ATOM 752 CB ASP A 48 10.748 -8.101 -5.191 1.00 0.00 C ATOM 753 CG ASP A 48 10.649 -9.202 -6.248 1.00 0.00 C ATOM 754 OD1 ASP A 48 9.541 -9.353 -6.808 1.00 0.00 O ATOM 755 OD2 ASP A 48 11.683 -9.868 -6.473 1.00 0.00 O ATOM 0 HA ASP A 48 9.953 -6.315 -6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.590 -8.322 -4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.849 -8.127 -4.575 1.00 0.00 H new ATOM 760 N PHE A 49 10.719 -4.781 -4.282 1.00 0.00 N ATOM 761 CA PHE A 49 11.130 -3.860 -3.236 1.00 0.00 C ATOM 762 C PHE A 49 10.113 -3.840 -2.093 1.00 0.00 C ATOM 763 O PHE A 49 8.974 -4.272 -2.264 1.00 0.00 O ATOM 764 CB PHE A 49 11.200 -2.468 -3.866 1.00 0.00 C ATOM 765 CG PHE A 49 10.085 -2.186 -4.876 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.815 -1.965 -4.442 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.365 -2.156 -6.206 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.781 -1.703 -5.379 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.330 -1.893 -7.143 1.00 0.00 C ATOM 770 CZ PHE A 49 8.060 -1.672 -6.710 1.00 0.00 C ATOM 0 H PHE A 49 9.816 -4.568 -4.707 1.00 0.00 H new ATOM 0 HA PHE A 49 12.092 -4.168 -2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.157 -1.720 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.164 -2.353 -4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.593 -1.989 -3.385 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.374 -2.332 -6.550 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.772 -1.528 -5.035 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.552 -1.869 -8.200 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.273 -1.472 -7.422 1.00 0.00 H new ATOM 780 N PRO A 50 10.572 -3.320 -0.924 1.00 0.00 N ATOM 781 CA PRO A 50 9.715 -3.237 0.247 1.00 0.00 C ATOM 782 C PRO A 50 8.698 -2.103 0.102 1.00 0.00 C ATOM 783 O PRO A 50 9.064 -0.974 -0.219 1.00 0.00 O ATOM 784 CB PRO A 50 10.665 -3.038 1.417 1.00 0.00 C ATOM 785 CG PRO A 50 11.973 -2.552 0.814 1.00 0.00 C ATOM 786 CD PRO A 50 11.915 -2.799 -0.685 1.00 0.00 C ATOM 0 HA PRO A 50 9.111 -4.133 0.391 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.267 -2.310 2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.810 -3.969 1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.118 -1.492 1.021 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.817 -3.081 1.256 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.088 -1.880 -1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.678 -3.512 -0.999 1.00 0.00 H new ATOM 794 N VAL A 51 7.441 -2.444 0.346 1.00 0.00 N ATOM 795 CA VAL A 51 6.369 -1.469 0.248 1.00 0.00 C ATOM 796 C VAL A 51 5.505 -1.538 1.509 1.00 0.00 C ATOM 797 O VAL A 51 5.296 -2.615 2.064 1.00 0.00 O ATOM 798 CB VAL A 51 5.570 -1.698 -1.037 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.495 -1.755 -2.255 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.718 -2.965 -0.935 1.00 0.00 C ATOM 0 H VAL A 51 7.141 -3.382 0.611 1.00 0.00 H new ATOM 0 HA VAL A 51 6.775 -0.459 0.187 1.00 0.00 H new ATOM 0 HB VAL A 51 4.896 -0.851 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.902 -1.919 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.038 -0.814 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.205 -2.573 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.161 -3.104 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.365 -3.826 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.021 -2.869 -0.103 1.00 0.00 H new ATOM 810 N PHE A 52 5.026 -0.374 1.923 1.00 0.00 N ATOM 811 CA PHE A 52 4.189 -0.289 3.108 1.00 0.00 C ATOM 812 C PHE A 52 2.713 -0.153 2.729 1.00 0.00 C ATOM 813 O PHE A 52 2.338 0.763 1.998 1.00 0.00 O ATOM 814 CB PHE A 52 4.624 0.962 3.874 1.00 0.00 C ATOM 815 CG PHE A 52 3.789 1.249 5.123 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.709 0.322 6.115 1.00 0.00 C ATOM 817 CD2 PHE A 52 3.128 2.431 5.243 1.00 0.00 C ATOM 818 CE1 PHE A 52 2.934 0.588 7.275 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.353 2.697 6.402 1.00 0.00 C ATOM 820 CZ PHE A 52 2.272 1.770 7.394 1.00 0.00 C ATOM 0 H PHE A 52 5.201 0.517 1.459 1.00 0.00 H new ATOM 0 HA PHE A 52 4.300 -1.193 3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.669 0.852 4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.568 1.822 3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.235 -0.617 6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.193 3.168 4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.870 -0.148 8.063 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.827 3.636 6.496 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.682 1.972 8.276 1.00 0.00 H new ATOM 830 N PHE A 53 1.916 -1.078 3.243 1.00 0.00 N ATOM 831 CA PHE A 53 0.489 -1.073 2.967 1.00 0.00 C ATOM 832 C PHE A 53 -0.261 -0.199 3.975 1.00 0.00 C ATOM 833 O PHE A 53 -0.174 -0.423 5.182 1.00 0.00 O ATOM 834 CB PHE A 53 0.003 -2.517 3.100 1.00 0.00 C ATOM 835 CG PHE A 53 0.324 -3.396 1.890 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.589 -3.433 1.393 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.657 -4.139 1.310 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.887 -4.249 0.269 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.359 -4.955 0.186 1.00 0.00 C ATOM 840 CZ PHE A 53 0.907 -4.992 -0.310 1.00 0.00 C ATOM 0 H PHE A 53 2.231 -1.836 3.849 1.00 0.00 H new ATOM 0 HA PHE A 53 0.304 -0.672 1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.453 -2.961 3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.076 -2.513 3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.367 -2.842 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.662 -4.108 1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.892 -4.279 -0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.137 -5.546 -0.274 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.134 -5.612 -1.165 1.00 0.00 H new ATOM 850 N PHE A 54 -0.981 0.777 3.443 1.00 0.00 N ATOM 851 CA PHE A 54 -1.746 1.685 4.281 1.00 0.00 C ATOM 852 C PHE A 54 -2.950 0.975 4.903 1.00 0.00 C ATOM 853 O PHE A 54 -3.311 -0.124 4.484 1.00 0.00 O ATOM 854 CB PHE A 54 -2.245 2.814 3.378 1.00 0.00 C ATOM 855 CG PHE A 54 -1.135 3.535 2.611 1.00 0.00 C ATOM 856 CD1 PHE A 54 0.033 3.845 3.236 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.315 3.866 1.304 1.00 0.00 C ATOM 858 CE1 PHE A 54 1.063 4.514 2.523 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.285 4.534 0.592 1.00 0.00 C ATOM 860 CZ PHE A 54 0.883 4.844 1.217 1.00 0.00 C ATOM 0 H PHE A 54 -1.051 0.959 2.442 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.120 2.059 5.092 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.959 2.405 2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.783 3.541 3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.177 3.582 4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.242 3.620 0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.990 4.761 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.428 4.796 -0.446 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.667 5.352 0.675 1.00 0.00 H new ATOM 870 N GLY A 55 -3.538 1.631 5.892 1.00 0.00 N ATOM 871 CA GLY A 55 -4.694 1.076 6.575 1.00 0.00 C ATOM 872 C GLY A 55 -4.278 -0.034 7.543 1.00 0.00 C ATOM 873 O GLY A 55 -4.510 0.067 8.746 1.00 0.00 O ATOM 0 H GLY A 55 -3.236 2.542 6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.212 1.865 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.398 0.680 5.843 1.00 0.00 H new ATOM 877 N SER A 56 -3.671 -1.068 6.980 1.00 0.00 N ATOM 878 CA SER A 56 -3.220 -2.196 7.778 1.00 0.00 C ATOM 879 C SER A 56 -1.859 -1.885 8.403 1.00 0.00 C ATOM 880 O SER A 56 -1.681 -2.022 9.612 1.00 0.00 O ATOM 881 CB SER A 56 -3.138 -3.470 6.934 1.00 0.00 C ATOM 882 OG SER A 56 -2.996 -4.636 7.740 1.00 0.00 O ATOM 0 H SER A 56 -3.481 -1.149 5.981 1.00 0.00 H new ATOM 0 HA SER A 56 -3.947 -2.365 8.572 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.036 -3.559 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.293 -3.397 6.249 1.00 0.00 H new ATOM 0 HG SER A 56 -2.432 -5.289 7.275 1.00 0.00 H new ATOM 888 N HIS A 57 -0.933 -1.472 7.550 1.00 0.00 N ATOM 889 CA HIS A 57 0.407 -1.140 8.004 1.00 0.00 C ATOM 890 C HIS A 57 1.262 -2.408 8.050 1.00 0.00 C ATOM 891 O HIS A 57 1.602 -2.892 9.129 1.00 0.00 O ATOM 892 CB HIS A 57 0.360 -0.407 9.346 1.00 0.00 C ATOM 893 CG HIS A 57 -0.766 0.592 9.462 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.241 1.050 10.678 1.00 0.00 N ATOM 895 CD2 HIS A 57 -1.506 1.217 8.500 1.00 0.00 C ATOM 896 CE1 HIS A 57 -2.222 1.910 10.448 1.00 0.00 C ATOM 897 NE2 HIS A 57 -2.385 2.011 9.098 1.00 0.00 N ATOM 0 H HIS A 57 -1.084 -1.360 6.548 1.00 0.00 H new ATOM 0 HA HIS A 57 0.875 -0.454 7.298 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.264 -1.141 10.146 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.307 0.110 9.499 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.395 1.087 7.434 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.792 2.438 11.198 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.070 2.600 8.625 1.00 0.00 H new ATOM 905 N ASP A 58 1.585 -2.909 6.867 1.00 0.00 N ATOM 906 CA ASP A 58 2.394 -4.111 6.759 1.00 0.00 C ATOM 907 C ASP A 58 3.342 -3.977 5.565 1.00 0.00 C ATOM 908 O ASP A 58 2.952 -3.477 4.511 1.00 0.00 O ATOM 909 CB ASP A 58 1.519 -5.345 6.531 1.00 0.00 C ATOM 910 CG ASP A 58 0.181 -5.334 7.273 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.186 -4.906 8.448 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.817 -5.755 6.649 1.00 0.00 O ATOM 0 H ASP A 58 1.301 -2.504 5.975 1.00 0.00 H new ATOM 0 HA ASP A 58 2.949 -4.229 7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.324 -5.442 5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.079 -6.230 6.834 1.00 0.00 H new ATOM 917 N TYR A 59 4.569 -4.433 5.771 1.00 0.00 N ATOM 918 CA TYR A 59 5.575 -4.370 4.725 1.00 0.00 C ATOM 919 C TYR A 59 5.675 -5.702 3.980 1.00 0.00 C ATOM 920 O TYR A 59 5.487 -6.764 4.571 1.00 0.00 O ATOM 921 CB TYR A 59 6.903 -4.094 5.433 1.00 0.00 C ATOM 922 CG TYR A 59 6.886 -2.853 6.327 1.00 0.00 C ATOM 923 CD1 TYR A 59 6.972 -1.596 5.763 1.00 0.00 C ATOM 924 CD2 TYR A 59 6.784 -2.989 7.696 1.00 0.00 C ATOM 925 CE1 TYR A 59 6.956 -0.427 6.604 1.00 0.00 C ATOM 926 CE2 TYR A 59 6.768 -1.821 8.537 1.00 0.00 C ATOM 927 CZ TYR A 59 6.855 -0.597 7.950 1.00 0.00 C ATOM 928 OH TYR A 59 6.839 0.507 8.744 1.00 0.00 O ATOM 0 H TYR A 59 4.889 -4.847 6.646 1.00 0.00 H new ATOM 0 HA TYR A 59 5.323 -3.600 3.995 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.167 -4.961 6.038 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.685 -3.978 4.683 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.051 -1.489 4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.716 -3.973 8.137 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.023 0.562 6.176 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.689 -1.914 9.610 1.00 0.00 H new ATOM 0 HH TYR A 59 6.762 0.234 9.682 1.00 0.00 H new ATOM 938 N TYR A 60 5.971 -5.603 2.692 1.00 0.00 N ATOM 939 CA TYR A 60 6.099 -6.787 1.860 1.00 0.00 C ATOM 940 C TYR A 60 6.993 -6.513 0.649 1.00 0.00 C ATOM 941 O TYR A 60 7.207 -5.359 0.280 1.00 0.00 O ATOM 942 CB TYR A 60 4.686 -7.114 1.372 1.00 0.00 C ATOM 943 CG TYR A 60 3.693 -7.415 2.497 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.956 -8.428 3.396 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.535 -6.672 2.613 1.00 0.00 C ATOM 946 CE1 TYR A 60 3.022 -8.711 4.455 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.601 -6.955 3.671 1.00 0.00 C ATOM 948 CZ TYR A 60 1.891 -7.961 4.540 1.00 0.00 C ATOM 949 OH TYR A 60 1.008 -8.228 5.540 1.00 0.00 O ATOM 0 H TYR A 60 6.126 -4.721 2.204 1.00 0.00 H new ATOM 0 HA TYR A 60 6.547 -7.605 2.424 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.312 -6.275 0.786 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.733 -7.974 0.703 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.862 -9.009 3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.330 -5.878 1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.215 -9.501 5.166 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.691 -6.382 3.773 1.00 0.00 H new ATOM 0 HH TYR A 60 0.305 -7.545 5.547 1.00 0.00 H new ATOM 959 N TRP A 61 7.490 -7.593 0.064 1.00 0.00 N ATOM 960 CA TRP A 61 8.355 -7.483 -1.098 1.00 0.00 C ATOM 961 C TRP A 61 7.560 -7.933 -2.325 1.00 0.00 C ATOM 962 O TRP A 61 7.277 -9.119 -2.485 1.00 0.00 O ATOM 963 CB TRP A 61 9.646 -8.280 -0.898 1.00 0.00 C ATOM 964 CG TRP A 61 10.537 -7.749 0.227 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.389 -7.922 1.548 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.727 -6.948 0.076 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.393 -7.293 2.256 1.00 0.00 N ATOM 968 CE2 TRP A 61 12.232 -6.681 1.332 1.00 0.00 C ATOM 969 CE3 TRP A 61 12.356 -6.463 -1.085 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.389 -5.923 1.548 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.511 -5.707 -0.852 1.00 0.00 C ATOM 972 CH2 TRP A 61 14.032 -5.430 0.407 1.00 0.00 C ATOM 0 H TRP A 61 7.310 -8.548 0.373 1.00 0.00 H new ATOM 0 HA TRP A 61 8.670 -6.450 -1.247 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.391 -9.318 -0.686 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.212 -8.275 -1.829 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.585 -8.483 2.001 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.500 -7.280 3.270 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.978 -6.658 -2.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.765 -5.729 2.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.034 -5.311 -1.710 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.929 -4.837 0.504 1.00 0.00 H new ATOM 983 N VAL A 62 7.221 -6.961 -3.159 1.00 0.00 N ATOM 984 CA VAL A 62 6.463 -7.242 -4.367 1.00 0.00 C ATOM 985 C VAL A 62 7.252 -6.754 -5.584 1.00 0.00 C ATOM 986 O VAL A 62 7.888 -5.703 -5.535 1.00 0.00 O ATOM 987 CB VAL A 62 5.070 -6.617 -4.268 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.290 -7.199 -3.087 1.00 0.00 C ATOM 989 CG2 VAL A 62 5.158 -5.093 -4.168 1.00 0.00 C ATOM 0 H VAL A 62 7.457 -5.978 -3.022 1.00 0.00 H new ATOM 0 HA VAL A 62 6.315 -8.316 -4.484 1.00 0.00 H new ATOM 0 HB VAL A 62 4.528 -6.862 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.304 -6.738 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.181 -8.276 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.829 -6.999 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.154 -4.674 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.727 -4.819 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.655 -4.698 -5.054 1.00 0.00 H new ATOM 999 N HIS A 63 7.184 -7.541 -6.648 1.00 0.00 N ATOM 1000 CA HIS A 63 7.883 -7.203 -7.875 1.00 0.00 C ATOM 1001 C HIS A 63 7.405 -5.841 -8.380 1.00 0.00 C ATOM 1002 O HIS A 63 6.600 -5.180 -7.725 1.00 0.00 O ATOM 1003 CB HIS A 63 7.721 -8.312 -8.917 1.00 0.00 C ATOM 1004 CG HIS A 63 6.304 -8.815 -9.061 1.00 0.00 C ATOM 1005 ND1 HIS A 63 5.967 -9.880 -9.879 1.00 0.00 N ATOM 1006 CD2 HIS A 63 5.144 -8.390 -8.485 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.660 -10.077 -9.791 1.00 0.00 C ATOM 1008 NE2 HIS A 63 4.151 -9.152 -8.927 1.00 0.00 N ATOM 0 H HIS A 63 6.655 -8.412 -6.685 1.00 0.00 H new ATOM 0 HA HIS A 63 8.952 -7.124 -7.678 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.065 -7.942 -9.883 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.367 -9.148 -8.647 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.615 -10.421 -10.452 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.049 -7.571 -7.787 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.096 -10.837 -10.312 1.00 0.00 H new ATOM 1016 N GLN A 64 7.920 -5.461 -9.540 1.00 0.00 N ATOM 1017 CA GLN A 64 7.555 -4.189 -10.140 1.00 0.00 C ATOM 1018 C GLN A 64 6.673 -4.416 -11.370 1.00 0.00 C ATOM 1019 O GLN A 64 6.866 -5.381 -12.107 1.00 0.00 O ATOM 1020 CB GLN A 64 8.799 -3.375 -10.500 1.00 0.00 C ATOM 1021 CG GLN A 64 9.572 -4.033 -11.645 1.00 0.00 C ATOM 1022 CD GLN A 64 10.501 -3.027 -12.329 1.00 0.00 C ATOM 1023 OE1 GLN A 64 10.073 -2.038 -12.901 1.00 0.00 O ATOM 1024 NE2 GLN A 64 11.791 -3.335 -12.239 1.00 0.00 N ATOM 0 H GLN A 64 8.587 -6.012 -10.080 1.00 0.00 H new ATOM 0 HA GLN A 64 6.985 -3.615 -9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.507 -2.365 -10.787 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.444 -3.284 -9.626 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.156 -4.870 -11.261 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.872 -4.441 -12.374 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.081 -4.179 -11.745 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.491 -2.727 -12.664 1.00 0.00 H new ATOM 1033 N GLY A 65 5.724 -3.509 -11.554 1.00 0.00 N ATOM 1034 CA GLY A 65 4.813 -3.599 -12.682 1.00 0.00 C ATOM 1035 C GLY A 65 3.404 -3.978 -12.220 1.00 0.00 C ATOM 1036 O GLY A 65 2.449 -3.888 -12.990 1.00 0.00 O ATOM 0 H GLY A 65 5.567 -2.709 -10.941 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.783 -2.644 -13.207 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.179 -4.341 -13.391 1.00 0.00 H new ATOM 1040 N ARG A 66 3.320 -4.393 -10.964 1.00 0.00 N ATOM 1041 CA ARG A 66 2.044 -4.786 -10.390 1.00 0.00 C ATOM 1042 C ARG A 66 1.412 -3.608 -9.646 1.00 0.00 C ATOM 1043 O ARG A 66 0.224 -3.637 -9.326 1.00 0.00 O ATOM 1044 CB ARG A 66 2.213 -5.960 -9.424 1.00 0.00 C ATOM 1045 CG ARG A 66 2.137 -7.296 -10.166 1.00 0.00 C ATOM 1046 CD ARG A 66 3.306 -7.448 -11.142 1.00 0.00 C ATOM 1047 NE ARG A 66 3.091 -8.627 -12.010 1.00 0.00 N ATOM 1048 CZ ARG A 66 2.334 -8.619 -13.116 1.00 0.00 C ATOM 1049 NH1 ARG A 66 1.716 -7.493 -13.496 1.00 0.00 N ATOM 1050 NH2 ARG A 66 2.196 -9.737 -13.841 1.00 0.00 N ATOM 0 H ARG A 66 4.114 -4.466 -10.328 1.00 0.00 H new ATOM 0 HA ARG A 66 1.393 -5.095 -11.208 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.171 -5.879 -8.911 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.438 -5.920 -8.659 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.149 -8.116 -9.448 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.194 -7.361 -10.709 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.400 -6.550 -11.752 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.239 -7.558 -10.590 1.00 0.00 H new ATOM 0 HE ARG A 66 3.548 -9.501 -11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.822 -6.642 -12.944 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.140 -7.487 -14.338 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.667 -10.594 -13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.620 -9.731 -14.683 1.00 0.00 H new ATOM 1064 N VAL A 67 2.234 -2.601 -9.391 1.00 0.00 N ATOM 1065 CA VAL A 67 1.770 -1.416 -8.690 1.00 0.00 C ATOM 1066 C VAL A 67 1.483 -0.307 -9.705 1.00 0.00 C ATOM 1067 O VAL A 67 2.131 -0.233 -10.748 1.00 0.00 O ATOM 1068 CB VAL A 67 2.790 -1.004 -7.627 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.470 -2.230 -7.015 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.824 -0.035 -8.205 1.00 0.00 C ATOM 0 H VAL A 67 3.218 -2.581 -9.657 1.00 0.00 H new ATOM 0 HA VAL A 67 0.838 -1.624 -8.164 1.00 0.00 H new ATOM 0 HB VAL A 67 2.254 -0.486 -6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.190 -1.909 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.719 -2.868 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.986 -2.788 -7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.537 0.242 -7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.353 -0.515 -9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.320 0.860 -8.570 1.00 0.00 H new ATOM 1080 N PHE A 68 0.512 0.527 -9.363 1.00 0.00 N ATOM 1081 CA PHE A 68 0.131 1.628 -10.232 1.00 0.00 C ATOM 1082 C PHE A 68 0.499 2.974 -9.604 1.00 0.00 C ATOM 1083 O PHE A 68 0.493 3.115 -8.382 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.387 1.557 -10.405 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.838 1.300 -11.844 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.240 0.326 -12.581 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.838 2.045 -12.387 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -1.658 0.087 -13.916 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -3.257 1.807 -13.723 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.658 0.833 -14.459 1.00 0.00 C ATOM 0 H PHE A 68 -0.022 0.463 -8.496 1.00 0.00 H new ATOM 0 HA PHE A 68 0.653 1.547 -11.186 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.779 0.766 -9.766 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.826 2.493 -10.059 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.446 -0.266 -12.150 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.314 2.818 -11.802 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.183 -0.687 -14.501 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.051 2.399 -14.154 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.976 0.651 -15.475 1.00 0.00 H new ATOM 1100 N PRO A 69 0.818 3.954 -10.491 1.00 0.00 N ATOM 1101 CA PRO A 69 1.188 5.283 -10.037 1.00 0.00 C ATOM 1102 C PRO A 69 -0.041 6.063 -9.565 1.00 0.00 C ATOM 1103 O PRO A 69 -1.015 6.201 -10.304 1.00 0.00 O ATOM 1104 CB PRO A 69 1.879 5.928 -11.227 1.00 0.00 C ATOM 1105 CG PRO A 69 1.461 5.116 -12.442 1.00 0.00 C ATOM 1106 CD PRO A 69 0.835 3.823 -11.945 1.00 0.00 C ATOM 0 HA PRO A 69 1.851 5.262 -9.172 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.581 6.971 -11.333 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.962 5.917 -11.103 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.750 5.676 -13.049 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.323 4.904 -13.075 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.171 3.692 -12.343 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.417 2.956 -12.258 1.00 0.00 H new ATOM 1114 N TYR A 70 0.043 6.551 -8.336 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.050 7.313 -7.757 1.00 0.00 C ATOM 1116 C TYR A 70 -0.927 8.799 -8.102 1.00 0.00 C ATOM 1117 O TYR A 70 0.123 9.404 -7.890 1.00 0.00 O ATOM 1118 CB TYR A 70 -0.927 7.142 -6.242 1.00 0.00 C ATOM 1119 CG TYR A 70 -1.925 7.978 -5.438 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -1.777 9.348 -5.365 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -2.973 7.362 -4.785 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -2.716 10.135 -4.609 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -3.913 8.149 -4.029 1.00 0.00 C ATOM 1124 CZ TYR A 70 -3.737 9.497 -3.978 1.00 0.00 C ATOM 1125 OH TYR A 70 -4.624 10.240 -3.263 1.00 0.00 O ATOM 0 H TYR A 70 0.851 6.433 -7.725 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.008 6.962 -8.141 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.066 6.090 -5.993 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.085 7.410 -5.937 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.956 9.830 -5.875 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.088 6.290 -4.841 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.612 11.208 -4.545 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.739 7.680 -3.514 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.300 9.651 -2.868 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.013 9.344 -8.629 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.040 10.747 -9.005 1.00 0.00 C ATOM 1137 C VAL A 71 -2.689 11.559 -7.883 1.00 0.00 C ATOM 1138 O VAL A 71 -3.280 10.994 -6.965 1.00 0.00 O ATOM 1139 CB VAL A 71 -2.748 10.914 -10.351 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -2.105 10.031 -11.423 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -4.244 10.621 -10.224 1.00 0.00 C ATOM 0 H VAL A 71 -2.882 8.839 -8.805 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.027 11.127 -9.136 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.635 11.953 -10.661 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.627 10.169 -12.370 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.058 10.308 -11.543 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.171 8.986 -11.121 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.723 10.747 -11.195 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.386 9.597 -9.879 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.690 11.310 -9.507 1.00 0.00 H new ATOM 1151 N GLU A 72 -2.557 12.873 -7.995 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.123 13.769 -7.001 1.00 0.00 C ATOM 1153 C GLU A 72 -4.205 14.648 -7.633 1.00 0.00 C ATOM 1154 O GLU A 72 -4.012 15.851 -7.801 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.034 14.623 -6.349 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.409 14.985 -4.910 1.00 0.00 C ATOM 1157 CD GLU A 72 -2.098 16.454 -4.616 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -2.967 17.294 -4.934 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -0.997 16.704 -4.078 1.00 0.00 O ATOM 0 H GLU A 72 -2.066 13.338 -8.759 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.584 13.167 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.088 14.081 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.884 15.533 -6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.470 14.795 -4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.861 14.348 -4.216 1.00 0.00 H new ATOM 1367 N THR A 87 -11.606 0.057 7.296 1.00 0.00 N ATOM 1368 CA THR A 87 -10.157 0.071 7.195 1.00 0.00 C ATOM 1369 C THR A 87 -9.718 0.781 5.912 1.00 0.00 C ATOM 1370 O THR A 87 -8.867 1.668 5.949 1.00 0.00 O ATOM 1371 CB THR A 87 -9.662 -1.373 7.289 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.948 -1.751 8.633 1.00 0.00 O ATOM 1373 CG2 THR A 87 -8.138 -1.478 7.189 1.00 0.00 C ATOM 0 HA THR A 87 -9.710 0.637 8.012 1.00 0.00 H new ATOM 0 HB THR A 87 -10.119 -1.965 6.497 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.798 -1.350 8.912 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.840 -2.524 7.261 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.807 -1.072 6.233 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.680 -0.913 8.001 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.320 0.364 4.808 1.00 0.00 N ATOM 1382 CA PHE A 88 -10.002 0.948 3.516 1.00 0.00 C ATOM 1383 C PHE A 88 -9.777 2.457 3.637 1.00 0.00 C ATOM 1384 O PHE A 88 -8.773 2.979 3.155 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.204 0.696 2.603 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.957 1.054 1.136 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.978 0.419 0.437 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.717 2.005 0.531 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.749 0.751 -0.924 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.488 2.337 -0.830 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.509 1.703 -1.529 1.00 0.00 C ATOM 0 H PHE A 88 -11.026 -0.371 4.781 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.090 0.502 3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.482 -0.356 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.053 1.273 2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.375 -0.337 0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.495 2.508 1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.971 0.248 -1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.091 3.093 -1.310 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.335 1.955 -2.565 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.728 3.115 4.284 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.646 4.553 4.475 1.00 0.00 C ATOM 1403 C LYS A 89 -9.291 4.904 5.092 1.00 0.00 C ATOM 1404 O LYS A 89 -8.523 5.674 4.517 1.00 0.00 O ATOM 1405 CB LYS A 89 -11.841 5.055 5.288 1.00 0.00 C ATOM 1406 CG LYS A 89 -12.559 6.193 4.561 1.00 0.00 C ATOM 1407 CD LYS A 89 -13.972 5.775 4.149 1.00 0.00 C ATOM 1408 CE LYS A 89 -14.579 6.782 3.170 1.00 0.00 C ATOM 1409 NZ LYS A 89 -15.258 7.873 3.903 1.00 0.00 N ATOM 0 H LYS A 89 -11.559 2.679 4.683 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.704 5.069 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.537 4.234 5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.502 5.399 6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.609 7.068 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.989 6.482 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.943 4.787 3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.604 5.696 5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.797 7.196 2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.290 6.278 2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.664 8.547 3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.017 7.475 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.571 8.364 4.509 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.038 4.324 6.256 1.00 0.00 N ATOM 1424 CA LYS A 90 -7.789 4.566 6.958 1.00 0.00 C ATOM 1425 C LYS A 90 -6.641 4.611 5.947 1.00 0.00 C ATOM 1426 O LYS A 90 -5.742 5.442 6.060 1.00 0.00 O ATOM 1427 CB LYS A 90 -7.590 3.534 8.069 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.564 4.205 9.444 1.00 0.00 C ATOM 1429 CD LYS A 90 -8.327 3.373 10.476 1.00 0.00 C ATOM 1430 CE LYS A 90 -7.371 2.753 11.496 1.00 0.00 C ATOM 1431 NZ LYS A 90 -8.062 2.533 12.786 1.00 0.00 N ATOM 0 H LYS A 90 -9.677 3.687 6.731 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.814 5.535 7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.394 2.798 8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.657 2.995 7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.532 4.336 9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.005 5.199 9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.054 4.002 10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.887 2.585 9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.988 1.806 11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.512 3.408 11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.399 2.112 13.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.406 3.442 13.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.867 1.890 12.643 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.710 3.706 4.982 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.688 3.631 3.952 1.00 0.00 C ATOM 1447 C ALA A 91 -5.817 4.840 3.023 1.00 0.00 C ATOM 1448 O ALA A 91 -4.860 5.591 2.839 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.815 2.304 3.201 1.00 0.00 C ATOM 0 H ALA A 91 -7.458 3.018 4.892 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.693 3.660 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.048 2.248 2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.687 1.477 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.800 2.240 2.739 1.00 0.00 H new ATOM 1455 N LEU A 92 -7.008 4.992 2.463 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.274 6.097 1.558 1.00 0.00 C ATOM 1457 C LEU A 92 -6.700 7.385 2.150 1.00 0.00 C ATOM 1458 O LEU A 92 -5.991 8.124 1.468 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.768 6.180 1.238 1.00 0.00 C ATOM 1460 CG LEU A 92 -9.382 4.944 0.578 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.911 5.003 0.617 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.852 4.762 -0.846 1.00 0.00 C ATOM 0 H LEU A 92 -7.800 4.368 2.619 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.775 5.935 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.307 6.379 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.932 7.036 0.584 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.079 4.067 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.322 4.112 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.247 5.049 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.255 5.890 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.304 3.876 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.104 5.638 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.769 4.641 -0.819 1.00 0.00 H new ATOM 1474 N GLU A 93 -7.026 7.615 3.414 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.552 8.801 4.105 1.00 0.00 C ATOM 1476 C GLU A 93 -5.025 8.784 4.203 1.00 0.00 C ATOM 1477 O GLU A 93 -4.355 9.664 3.664 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.188 8.919 5.492 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.685 9.215 5.385 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.133 10.182 6.482 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.031 9.788 7.663 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -9.567 11.295 6.114 1.00 0.00 O ATOM 0 H GLU A 93 -7.613 6.999 3.977 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.850 9.676 3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.035 7.993 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.696 9.712 6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.906 9.642 4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.249 8.286 5.462 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.519 7.772 4.893 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.084 7.629 5.068 1.00 0.00 C ATOM 1491 C GLU A 94 -2.363 7.838 3.735 1.00 0.00 C ATOM 1492 O GLU A 94 -1.475 8.683 3.631 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.738 6.265 5.670 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.610 6.354 7.192 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.265 5.796 7.662 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -1.156 4.553 7.721 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -0.377 6.627 7.952 1.00 0.00 O ATOM 0 H GLU A 94 -5.078 7.043 5.337 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.745 8.394 5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.510 5.542 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.803 5.902 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.708 7.392 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.422 5.799 7.662 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.773 7.055 2.748 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.178 7.144 1.425 1.00 0.00 C ATOM 1506 C ALA A 95 -1.996 8.616 1.051 1.00 0.00 C ATOM 1507 O ALA A 95 -0.909 9.028 0.647 1.00 0.00 O ATOM 1508 CB ALA A 95 -3.051 6.391 0.420 1.00 0.00 C ATOM 0 H ALA A 95 -3.510 6.356 2.838 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.193 6.677 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.604 6.458 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.125 5.344 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.047 6.833 0.400 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.076 9.369 1.198 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.049 10.787 0.880 1.00 0.00 C ATOM 1516 C ALA A 96 -1.940 11.465 1.688 1.00 0.00 C ATOM 1517 O ALA A 96 -1.017 12.045 1.118 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.425 11.397 1.152 1.00 0.00 C ATOM 0 H ALA A 96 -3.976 9.024 1.533 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.828 10.940 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.405 12.460 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.172 10.900 0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.680 11.266 2.204 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.068 11.370 3.003 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.089 11.968 3.895 1.00 0.00 C ATOM 1526 C LYS A 97 0.314 11.752 3.323 1.00 0.00 C ATOM 1527 O LYS A 97 0.984 12.709 2.937 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.262 11.431 5.318 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.319 12.575 6.332 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.683 12.627 7.023 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.651 13.569 8.228 1.00 0.00 C ATOM 1532 NZ LYS A 97 -4.026 13.871 8.686 1.00 0.00 N ATOM 0 H LYS A 97 -2.835 10.888 3.472 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.244 13.045 3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.176 10.840 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.435 10.765 5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.534 12.445 7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.126 13.522 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.441 12.962 6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.969 11.626 7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.083 13.113 9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.139 14.493 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.986 14.512 9.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.556 14.326 7.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.502 12.988 8.960 1.00 0.00 H new ATOM 1546 N ARG A 98 0.716 10.490 3.287 1.00 0.00 N ATOM 1547 CA ARG A 98 2.027 10.138 2.768 1.00 0.00 C ATOM 1548 C ARG A 98 2.371 11.009 1.559 1.00 0.00 C ATOM 1549 O ARG A 98 3.343 11.763 1.589 1.00 0.00 O ATOM 1550 CB ARG A 98 2.078 8.664 2.358 1.00 0.00 C ATOM 1551 CG ARG A 98 2.036 7.752 3.585 1.00 0.00 C ATOM 1552 CD ARG A 98 3.372 7.771 4.330 1.00 0.00 C ATOM 1553 NE ARG A 98 3.288 6.928 5.543 1.00 0.00 N ATOM 1554 CZ ARG A 98 4.207 6.920 6.518 1.00 0.00 C ATOM 1555 NH1 ARG A 98 5.286 7.710 6.428 1.00 0.00 N ATOM 1556 NH2 ARG A 98 4.048 6.123 7.583 1.00 0.00 N ATOM 0 H ARG A 98 0.158 9.699 3.608 1.00 0.00 H new ATOM 0 HA ARG A 98 2.755 10.309 3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.238 8.436 1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.988 8.472 1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.238 8.074 4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.802 6.733 3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.166 7.407 3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.630 8.794 4.605 1.00 0.00 H new ATOM 0 HE ARG A 98 2.480 6.314 5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.407 8.317 5.617 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.986 7.704 7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.227 5.522 7.652 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.748 6.117 8.325 1.00 0.00 H new ATOM 1570 N PHE A 99 1.556 10.876 0.522 1.00 0.00 N ATOM 1571 CA PHE A 99 1.763 11.642 -0.695 1.00 0.00 C ATOM 1572 C PHE A 99 2.034 13.114 -0.378 1.00 0.00 C ATOM 1573 O PHE A 99 2.852 13.755 -1.036 1.00 0.00 O ATOM 1574 CB PHE A 99 0.474 11.538 -1.513 1.00 0.00 C ATOM 1575 CG PHE A 99 0.603 12.058 -2.946 1.00 0.00 C ATOM 1576 CD1 PHE A 99 1.033 11.230 -3.934 1.00 0.00 C ATOM 1577 CD2 PHE A 99 0.286 13.350 -3.231 1.00 0.00 C ATOM 1578 CE1 PHE A 99 1.153 11.713 -5.265 1.00 0.00 C ATOM 1579 CE2 PHE A 99 0.406 13.833 -4.561 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.836 13.004 -5.550 1.00 0.00 C ATOM 0 H PHE A 99 0.752 10.249 0.500 1.00 0.00 H new ATOM 0 HA PHE A 99 2.623 11.251 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.158 10.495 -1.543 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.313 12.095 -1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.284 10.204 -3.707 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.057 14.008 -2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.496 11.055 -6.050 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.156 14.859 -4.787 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.926 13.371 -6.562 1.00 0.00 H new ATOM 1590 N GLN A 100 1.332 13.607 0.632 1.00 0.00 N ATOM 1591 CA GLN A 100 1.486 14.992 1.045 1.00 0.00 C ATOM 1592 C GLN A 100 2.787 15.170 1.830 1.00 0.00 C ATOM 1593 O GLN A 100 3.406 16.231 1.781 1.00 0.00 O ATOM 1594 CB GLN A 100 0.282 15.457 1.866 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.030 15.011 1.217 1.00 0.00 C ATOM 1596 CD GLN A 100 -1.864 16.218 0.781 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -1.505 16.961 -0.117 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -2.994 16.369 1.466 1.00 0.00 N ATOM 0 H GLN A 100 0.655 13.072 1.176 1.00 0.00 H new ATOM 0 HA GLN A 100 1.536 15.614 0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.348 15.053 2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.296 16.543 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.817 14.381 0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.601 14.405 1.921 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.234 15.709 2.206 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.621 17.144 1.251 1.00 0.00 H new ATOM 1607 N GLU A 101 3.164 14.113 2.536 1.00 0.00 N ATOM 1608 CA GLU A 101 4.380 14.139 3.331 1.00 0.00 C ATOM 1609 C GLU A 101 5.609 14.083 2.422 1.00 0.00 C ATOM 1610 O GLU A 101 6.485 14.943 2.503 1.00 0.00 O ATOM 1611 CB GLU A 101 4.396 12.995 4.347 1.00 0.00 C ATOM 1612 CG GLU A 101 3.022 12.820 4.997 1.00 0.00 C ATOM 1613 CD GLU A 101 3.157 12.365 6.451 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.356 13.253 7.308 1.00 0.00 O ATOM 1615 OE2 GLU A 101 3.060 11.139 6.674 1.00 0.00 O ATOM 0 H GLU A 101 2.649 13.234 2.574 1.00 0.00 H new ATOM 0 HA GLU A 101 4.407 15.075 3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.689 12.069 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.143 13.196 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.474 13.761 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.441 12.088 4.436 1.00 0.00 H new ATOM 1622 N LEU A 102 5.635 13.062 1.578 1.00 0.00 N ATOM 1623 CA LEU A 102 6.743 12.882 0.655 1.00 0.00 C ATOM 1624 C LEU A 102 7.110 14.232 0.036 1.00 0.00 C ATOM 1625 O LEU A 102 8.200 14.750 0.270 1.00 0.00 O ATOM 1626 CB LEU A 102 6.410 11.803 -0.377 1.00 0.00 C ATOM 1627 CG LEU A 102 6.969 10.407 -0.092 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.800 10.039 1.383 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.340 9.365 -1.019 1.00 0.00 C ATOM 0 H LEU A 102 4.907 12.351 1.514 1.00 0.00 H new ATOM 0 HA LEU A 102 7.626 12.523 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.326 11.729 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.781 12.130 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 102 8.039 10.419 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.205 9.042 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.333 10.761 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.741 10.051 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.754 8.382 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.261 9.347 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.556 9.623 -2.056 1.00 0.00 H new ATOM 1641 N LYS A 103 6.177 14.764 -0.741 1.00 0.00 N ATOM 1642 CA LYS A 103 6.389 16.044 -1.395 1.00 0.00 C ATOM 1643 C LYS A 103 6.768 17.091 -0.346 1.00 0.00 C ATOM 1644 O LYS A 103 7.768 17.791 -0.496 1.00 0.00 O ATOM 1645 CB LYS A 103 5.167 16.426 -2.233 1.00 0.00 C ATOM 1646 CG LYS A 103 3.921 16.561 -1.355 1.00 0.00 C ATOM 1647 CD LYS A 103 2.646 16.474 -2.196 1.00 0.00 C ATOM 1648 CE LYS A 103 1.812 17.750 -2.061 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.505 18.892 -2.699 1.00 0.00 N ATOM 0 H LYS A 103 5.273 14.332 -0.932 1.00 0.00 H new ATOM 0 HA LYS A 103 7.220 15.981 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.356 17.367 -2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.996 15.670 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.917 15.775 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.947 17.513 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.906 16.314 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.055 15.614 -1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.836 17.604 -2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.636 17.967 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.883 19.725 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.378 19.105 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.742 18.649 -3.682 1.00 0.00 H new